#DEFINITION	Reference Metabolome for Actinidia chinensis
#IDENTTFIER	RefMeta-Actinidia chinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Actinidia chinensis
#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 Actinidia chinensis was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04973	5.4
73.02902	3.6
79.05484	83.3
81.03415	11.8
81.07047	100.0
82.07375	1.5
83.04973	11.0
83.08612	20.0
85.02902	13.8
85.06513	6.0
91.03938	4.9
91.05473	91.3
92.05770	1.8
93.07034	89.3
95.04961	20.6
95.08595	56.8
97.02867	10.6
97.06516	13.3
97.10149	8.2
98.20670	2.6
98.21357	8.7
99.04424	2.5
99.08076	5.0
103.05470	2.0
105.07019	92.0
107.04948	9.1
107.08584	53.7
109.02904	2.5
109.06501	8.3
109.10152	23.6
111.04464	2.2
111.08071	9.6
115.03916	1.6
115.05419	4.2
116.06197	1.8
117.07005	36.3
119.08569	73.2
121.06492	4.3
121.10131	38.7
123.04395	1.7
123.08047	5.5
123.11686	8.5
123.27892	1.5
125.09637	4.4
127.03925	3.5
128.06177	3.7
129.06990	20.7
130.07765	2.2
131.08557	45.5
133.06500	3.8
133.10115	61.8
135.08046	6.9
135.11682	33.2
137.09546	3.5
139.11093	1.6
141.06966	5.6
142.07736	3.3
143.08553	21.2
144.09273	2.3
145.04906	1.4
145.06424	2.1
145.10110	41.0
147.08002	3.2
147.11674	35.9
149.09584	11.3
149.13228	18.3
151.11177	4.5
153.01714	1.4
155.08534	10.6
157.06480	1.7
157.10106	21.8
159.08052	2.3
159.11673	33.6
161.09604	4.3
161.13239	21.2
163.11165	7.3
163.14775	3.2
165.06990	1.8
165.12715	2.7
166.07733	1.7
167.08540	5.8
168.09326	2.5
169.10124	13.1
171.08078	1.5
171.11671	22.7
172.95250	3.0
173.04469	4.0
173.13254	18.5
175.11179	4.2
175.14775	6.5
177.12701	3.8
179.08487	2.4
179.14256	2.9
181.10133	7.7
181.12213	2.5
182.10930	2.3
183.11691	9.5
184.07291	5.0
185.13255	15.0
187.11121	1.8
187.14819	7.3
189.16287	2.7
189.26189	1.9
190.96301	1.9
191.14371	2.0
193.10124	3.2
195.11682	9.2
195.13844	4.2
197.13203	8.0
199.14819	7.2
201.12621	1.7
201.16374	3.1
207.11696	3.2
207.13875	1.7
209.13248	5.9
211.14815	5.4
213.12798	1.7
213.14583	2.0
213.16347	4.9
215.18021	2.2
217.15663	2.0
221.13219	3.2
223.11339	1.7
223.14816	4.4
225.16425	4.2
227.17973	2.6
229.60132	1.8
231.21043	4.1
237.16245	4.0
239.17975	2.9
241.19496	16.3
253.14447	3.7
255.15643	8.2
257.19012	6.1
259.20557	53.7
261.22171	3.0
267.15970	4.9
269.17389	22.3
271.20566	2.0
273.18475	3.6
275.20062	15.2
276.20425	2.0
289.21652	2.5
291.19730	2.1
293.21320	2.1
299.20148	2.4
301.21588	1.6
315.23178	5.1
331.22696	1.8
333.24216	51.0
335.25778	5.6
347.22150	1.9
349.23862	12.3
353.24448	2.1
365.22733	1.7
367.24658	5.3
413.21732	1.7
417.31323	2.9
421.30911	3.1
435.32809	10.6
453.33768	7.1
459.32837	2.7
471.34274	5.1
495.34509	1.6
501.35709	3.5
509.36148	6.6
511.15564	3.0
513.35748	22.1
515.37897	4.9
517.38898	2.7
527.37262	83.7
528.37561	1.8
531.36719	7.5
533.39447	2.5
543.36591	2.3
545.38104	14.3
551.41663	2.3
572.83252	1.7
589.42090	1.6
597.44373	2.8
607.43414	31.1
623.01611	1.8
623.38422	1.7
625.44464	35.4
629.39545	1.6
635.39404	4.7
643.45135	2.1
653.40192	2.6
671.40857	5.0
689.42938	7.4
689.52319	1.9
769.48846	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	1004.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04983	3.0
71.07378	1.6
71.08602	0.8
73.02914	1.8
79.05486	29.2
81.03394	2.7
81.07047	47.8
83.04967	2.6
83.08611	11.2
85.02877	5.3
85.06512	1.4
86.09692	26.6
91.03936	3.3
91.05470	23.1
93.07034	38.1
95.04951	5.1
95.08596	32.6
97.02888	2.0
97.06510	5.4
97.10171	5.4
98.20879	4.9
98.21583	1.8
98.98464	1.8
99.08112	0.8
104.10724	3.1
105.07023	21.1
107.04944	2.7
107.08581	28.7
109.06507	3.7
109.10144	35.4
111.08079	4.8
117.07002	8.1
119.08571	14.4
121.06490	2.2
121.10135	18.4
123.08074	1.1
123.11695	5.9
124.99992	16.4
125.09616	3.9
127.03914	1.4
129.07013	2.2
130.07742	0.9
131.08559	12.3
133.10123	12.1
135.08041	2.5
135.11667	10.8
137.09634	2.5
139.11151	1.4
143.08540	2.5
145.04965	1.6
145.10104	10.1
147.11674	9.5
147.78320	0.9
149.09624	3.0
149.13235	9.5
151.11108	0.9
153.09038	1.0
155.08582	1.3
155.10634	1.2
157.10136	2.6
159.08134	0.9
159.11688	7.6
161.13216	4.7
163.11189	1.5
163.14734	2.2
165.12782	1.5
169.10121	1.5
171.11673	1.8
172.95244	2.6
173.11720	7.7
173.13255	4.5
177.12666	1.8
179.14352	1.3
183.11594	1.5
184.07320	100.0
187.14850	1.4
189.11208	2.6
190.96312	2.5
195.13765	1.1
197.13297	1.2
199.14809	1.3
201.16425	1.1
227.12726	4.5
228.97862	0.9
229.14308	24.5
229.82263	0.9
239.18007	0.9
243.21127	2.5
246.98877	1.2
257.18988	2.1
259.20551	0.9
261.22104	13.1
269.17490	8.7
272.04764	0.9
275.20087	14.0
293.21078	1.7
308.94223	2.1
311.25906	1.6
317.24701	2.1
322.41190	1.0
328.42203	1.1
331.22714	1.6
333.24133	1.7
335.25772	73.0
336.26102	1.4
345.89841	0.9
349.23663	12.8
351.25543	1.1
360.34668	0.9
367.24753	10.3
373.18747	1.3
489.35712	28.8
498.24197	1.0
504.34265	1.3
505.34976	1.7
507.37030	5.1
507.43402	1.2
512.16382	1.0
515.36597	1.3
521.21857	1.9
522.22504	1.8
522.35455	21.9
529.38788	29.0
569.41675	1.2
583.17487	2.3
584.17255	2.3
609.45068	42.2
627.46112	23.8
633.39624	2.6
673.42523	2.3
691.43781	1.1
703.78296	1.0
901.38568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
80.18261	0.5
81.03412	0.7
82.99848	1.1
85.02879	1.8
88.58621	0.6
89.03880	0.9
97.02876	2.0
98.20729	2.1
98.97595	0.9
101.00842	3.1
103.20145	0.5
105.27936	0.6
109.02861	2.0
113.57245	0.5
116.98575	0.9
117.03347	1.4
119.01906	14.9
127.02375	0.7
127.03883	1.4
128.98561	0.6
131.01888	3.9
131.04892	1.5
132.59261	0.5
133.03464	1.0
134.99594	0.8
135.04358	3.8
135.06598	0.5
137.02991	2.9
139.03891	1.5
142.03517	0.8
143.01881	14.6
145.03584	7.3
147.01379	3.0
147.04398	2.0
149.02881	1.4
149.05971	1.1
155.01874	10.7
157.03442	6.6
159.04428	0.7
161.01508	0.7
161.02930	19.6
163.03874	55.4
164.04169	1.4
167.01846	5.1
168.80566	0.5
169.03461	1.9
170.99686	1.1
171.05011	2.0
173.02945	20.6
175.02870	0.7
175.04495	1.7
177.00737	0.8
177.02472	1.3
177.05495	0.9
179.01901	2.4
184.04507	1.4
185.01067	1.8
185.02937	38.5
186.03137	0.8
187.02832	0.8
187.04478	4.9
189.00697	1.0
189.02382	1.4
191.03922	1.7
193.03494	0.6
196.04485	1.4
197.02917	14.0
199.04510	1.4
200.04437	0.6
201.00650	1.0
201.02385	1.4
203.01976	3.0
203.03987	12.3
205.01840	1.8
205.03545	1.2
207.04993	1.8
208.04576	1.9
209.02930	1.6
211.44420	0.7
213.02539	0.7
215.03976	11.7
217.03412	1.8
219.01706	1.4
221.02933	58.2
221.04866	2.7
222.03120	1.4
225.06139	0.7
227.01968	0.6
227.03996	9.8
230.10048	0.7
231.03412	1.1
233.04903	0.9
235.04475	5.0
237.02766	0.8
238.05597	1.2
239.03984	18.8
239.06120	0.9
241.03542	1.0
244.04515	3.3
245.02882	12.1
245.05058	100.0
246.05354	3.1
247.04655	3.2
253.05627	1.3
257.05078	13.0
259.04486	5.7
261.02448	7.3
263.03955	40.1
263.06226	12.4
264.04214	1.2
265.05743	1.2
271.04407	1.1
273.02609	0.8
273.06015	0.9
275.03363	4.4
275.06412	7.4
277.05545	7.4
279.03467	16.0
279.06369	1.0
280.03732	1.0
281.05035	52.5
282.05392	1.7
285.02039	0.8
285.04794	1.5
286.05453	2.2
286.08112	1.2
287.03958	0.7
289.05188	1.1
291.03812	0.8
293.04947	2.2
293.07367	2.0
295.06638	7.0
299.06213	15.0
300.06830	1.0
302.05179	2.4
303.03149	5.2
304.06647	5.4
305.07504	9.2
307.06622	1.5
311.06235	7.4
317.04846	3.8
319.03278	0.6
319.06467	3.5
321.04514	21.4
321.10211	0.9
322.07965	0.8
323.06046	9.2
324.06409	0.7
334.07693	1.2
335.06079	2.5
335.08786	1.0
339.05600	15.7
339.09521	0.7
340.05881	0.8
341.06915	0.9
344.06076	0.9
347.05920	6.6
353.07166	2.7
354.11166	0.7
357.06686	2.7
362.06952	0.9
363.05545	11.7
365.07251	18.9
366.08960	0.6
375.05643	1.5
379.08853	1.0
381.06616	22.3
383.08099	12.9
389.07321	1.1
393.06665	7.3
399.07895	3.0
404.08447	0.8
405.06714	1.0
406.09824	0.9
407.08197	11.2
411.07730	4.1
422.09210	1.1
423.07687	9.2
425.09238	2.7
437.09235	11.9
441.08762	7.1
447.07614	9.8
453.08398	1.9
455.10574	1.3
465.08798	19.3
467.10446	5.1
483.09720	13.5
491.60236	0.9
501.03757	0.4
501.10675	10.8
527.12347	11.3
545.13501	27.3
603.13934	1.4
627.13971	44.2
628.14404	1.6
645.15234	5.7
663.16046	52.8
664.15906	1.7
774.63470	0.7
928.01172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75393	0.9
71.01359	0.3
71.04987	0.3
73.02908	2.3
73.03291	0.2
77.03945	0.1
79.05479	2.2
81.03413	1.1
81.07046	2.0
83.05006	0.2
83.08626	0.3
85.02895	4.2
87.04452	0.2
91.03949	1.9
91.05468	2.3
93.07031	2.4
93.54919	0.1
95.01092	0.1
95.04946	0.7
95.08604	1.4
97.02878	3.4
97.06526	0.2
97.10172	0.3
98.21453	0.3
98.52796	0.1
99.04441	0.7
101.02362	1.4
103.03983	0.1
104.72823	0.1
105.07018	1.6
107.08586	1.0
109.02862	0.7
109.06550	0.1
109.10186	0.5
111.04482	0.2
115.03933	0.3
117.07028	0.5
119.08572	1.4
121.06550	0.2
121.10095	0.8
123.08169	0.1
125.09619	0.2
127.03909	1.4
129.05482	0.2
129.07024	0.2
131.08603	0.6
133.10120	0.9
135.11659	0.7
143.08609	0.2
145.04991	0.3
145.10164	0.5
147.11693	0.6
149.13292	0.2
157.04779	0.2
157.10190	0.2
159.11769	0.2
161.13298	0.3
171.11757	0.3
185.04207	0.9
201.03644	0.8
203.05296	0.7
243.08441	1.7
257.06458	0.2
259.07986	0.5
259.20630	0.2
275.07532	0.1
275.20065	0.1
294.64459	0.1
301.08807	0.7
313.09030	0.3
315.10449	0.2
317.20959	0.3
319.10007	0.3
327.10446	0.2
329.08517	0.2
331.09940	0.2
333.20297	1.6
333.24030	0.2
347.09436	3.4
363.08923	1.3
365.10364	0.9
373.23358	0.3
383.16907	0.2
389.23065	0.4
405.13623	6.6
420.47495	0.2
421.13251	0.2
431.24234	0.3
437.21729	0.2
439.19485	0.4
453.21005	0.4
463.14166	1.3
465.20532	0.8
475.13998	0.4
477.15851	0.7
489.16006	0.2
503.17230	0.2
517.19434	0.2
519.20966	0.2
533.21930	0.3
535.16681	0.2
535.28711	4.2
535.36444	0.2
536.29260	0.2
545.22150	0.2
547.23700	0.3
551.28210	2.6
559.23828	0.4
585.38458	0.1
599.26642	0.3
601.24670	0.3
615.26617	0.4
623.30206	0.3
627.26306	0.7
651.34119	0.2
697.33917	5.0
698.34369	0.2
703.28174	0.3
707.40173	0.3
713.33411	3.2
714.33643	0.2
718.66327	0.2
729.32623	0.2
769.35620	0.2
785.35950	1.0
799.36658	0.2
827.40039	0.3
845.50049	0.7
869.44836	0.2
909.47729	0.2
1007.55341	100.0
1008.55591	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	1016.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61935	0.5
73.02907	1.0
77.03896	1.3
79.05480	41.8
80.88496	0.6
81.02961	1.0
81.03409	10.7
81.07047	54.2
83.04976	10.4
83.08607	12.4
85.02882	5.3
85.06511	2.4
86.09691	1.5
89.33274	0.8
91.03947	2.2
91.05466	41.7
93.07029	43.8
95.01283	1.2
95.04955	15.6
95.08595	23.8
97.02875	13.5
97.06516	11.5
97.10152	19.8
98.07292	0.7
99.04414	0.8
99.08056	1.7
103.05444	1.8
105.03408	0.8
105.07017	33.3
107.04938	13.1
107.07848	1.6
107.08582	30.1
108.05741	0.8
109.02881	2.5
109.06496	7.4
109.09442	1.1
109.10142	14.4
111.08054	3.9
113.05993	0.7
115.05429	2.7
116.06229	1.0
117.06998	16.0
119.04942	0.9
119.08560	26.3
121.06482	6.0
121.10136	12.4
122.07265	0.8
123.04437	1.1
123.08056	6.3
123.11655	2.6
124.99984	0.8
125.09615	12.8
127.03875	2.4
128.06207	1.5
129.05486	1.4
129.06975	8.4
130.07750	1.4
131.08545	18.0
133.06493	4.0
133.10110	18.5
134.07249	0.9
135.08026	6.1
135.11665	8.7
137.09628	4.0
139.03853	0.8
139.11191	1.0
141.06972	3.0
142.07759	1.2
143.08527	7.3
145.04948	1.0
145.06461	2.5
145.10107	14.0
147.08011	8.2
147.11678	8.2
148.99754	0.8
149.09602	9.3
149.13223	6.5
151.11156	2.3
153.09106	1.3
155.08571	3.2
155.34314	0.7
157.10159	5.9
159.08006	1.8
159.11667	11.6
161.09598	5.0
161.13245	2.7
162.10373	1.2
163.11165	7.1
165.09058	1.4
165.12730	1.1
168.09387	0.8
169.10100	2.7
169.12183	1.1
171.08015	0.8
171.10217	1.3
171.11624	5.7
173.04449	2.1
173.09483	1.0
173.13179	3.6
175.11159	3.0
175.14745	0.7
177.12782	4.2
177.14044	0.7
179.10643	1.1
179.14293	1.1
181.10088	1.5
181.12230	1.0
183.11652	3.1
184.07341	2.0
184.67401	0.7
185.13242	1.8
187.11209	2.1
187.14784	1.2
189.11264	6.3
189.12747	1.2
193.12350	0.8
195.11876	1.0
195.13713	3.4
197.13258	1.9
199.11214	0.9
199.14783	1.2
205.12163	2.4
206.14648	0.7
211.14906	0.8
213.16458	1.0
215.14305	1.3
215.18027	1.1
223.13222	18.3
227.12773	16.6
227.17888	0.7
229.14233	1.4
229.19547	2.2
239.17909	2.2
245.13803	1.3
245.19154	1.8
247.20737	1.0
249.14720	4.5
249.18657	0.7
251.16531	1.0
253.14204	3.6
255.15622	4.6
257.18973	6.4
260.94577	0.8
261.14792	1.0
263.20032	1.4
267.15887	2.9
269.17416	15.6
273.18442	14.4
275.20013	23.1
291.19498	100.0
292.19852	1.6
293.21011	2.0
297.13623	0.9
309.20511	1.3
331.22562	3.0
333.24191	1.7
347.21988	3.3
349.23688	25.7
365.23196	50.0
366.23672	1.1
367.24677	2.1
381.22705	1.5
397.22430	0.9
413.21692	1.1
425.25424	1.2
439.26682	0.8
447.27295	1.1
461.29123	2.8
475.26669	0.9
479.29996	1.3
519.33069	3.6
527.33594	1.3
535.32776	3.5
541.35419	5.5
543.36267	1.9
544.57697	0.7
545.34650	16.2
559.36237	75.6
560.36615	1.5
575.35919	0.8
577.36908	0.8
583.36664	1.1
599.39178	1.2
611.43201	1.8
621.41150	4.2
639.42456	50.4
657.43604	7.7
703.39819	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	1018.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01339	2.0
71.04991	6.2
73.02897	3.5
77.03896	1.2
79.05482	73.7
80.05829	1.2
81.03407	16.7
81.07044	100.0
83.04968	17.0
83.08608	20.3
85.02488	0.9
85.02895	10.2
85.06525	4.7
87.04443	1.0
89.99542	0.8
91.03913	1.9
91.05466	65.3
93.07030	77.4
95.04958	22.0
95.08592	47.3
97.02882	8.9
97.06518	21.2
97.10152	11.8
98.21123	3.0
99.04436	3.9
99.08081	4.8
103.05417	3.0
105.04526	2.1
105.07015	53.0
106.07321	0.9
107.04937	14.9
107.08577	52.1
108.08896	1.1
109.02885	3.8
109.06496	10.9
109.10132	17.7
111.04398	1.6
111.08052	7.4
113.05996	1.5
113.09605	1.2
115.05414	4.3
116.06214	1.5
117.07002	24.7
119.04886	0.9
119.08565	38.1
121.06466	8.8
121.10120	25.4
123.04384	2.0
123.08043	6.0
123.11675	5.2
125.09610	8.9
127.03902	6.6
128.06224	3.8
129.05455	2.5
129.06993	11.6
130.07735	2.2
131.04871	1.5
131.07558	1.9
131.08551	34.1
133.06445	3.2
133.10107	35.1
135.08022	9.7
135.10655	1.7
135.11670	24.0
137.09576	5.9
137.13271	0.9
139.11150	1.7
141.06947	3.9
142.07753	2.6
143.08542	11.6
144.09282	1.3
145.04959	2.3
145.06450	2.8
145.10101	26.0
147.04359	0.8
147.08012	3.4
147.11671	17.1
149.05902	1.0
149.09598	20.8
149.13240	16.4
151.07472	0.9
151.11134	4.0
152.28918	0.8
153.06931	1.3
153.09102	1.0
154.07761	1.4
155.08511	6.2
156.09441	1.1
157.06366	1.1
157.10115	8.3
159.08023	2.0
159.11664	23.1
161.09581	3.4
161.13225	7.6
163.07339	1.0
163.11153	12.9
165.09024	1.1
165.12721	2.9
167.08537	2.1
169.10098	7.2
171.08118	1.4
171.10165	1.2
171.11642	8.3
173.04478	6.6
173.05881	1.7
173.09596	2.5
173.11844	1.3
173.13208	8.1
175.11105	4.0
175.14827	1.8
177.12729	5.6
179.08469	1.0
179.10638	0.7
179.14331	4.1
181.10097	3.0
181.12161	1.8
183.11710	6.5
185.13216	5.5
187.11154	3.3
187.14775	2.3
189.11172	5.3
189.12671	1.9
189.16368	1.3
191.14317	1.3
193.10124	1.1
193.12245	1.8
195.11739	2.3
195.13762	8.5
197.13248	4.7
199.11226	0.9
199.14789	3.1
201.12755	1.7
201.16420	1.0
203.14268	1.6
203.17776	0.9
205.12198	1.4
207.11740	1.1
209.13193	1.8
211.14886	1.7
213.12787	1.5
213.14662	1.5
213.16399	2.4
215.14304	0.9
215.17889	1.0
217.15884	1.0
219.13713	1.1
227.12727	14.2
227.17931	0.9
229.14313	2.6
229.19461	3.6
233.15320	1.3
233.18959	0.9
235.16983	1.5
239.17946	5.2
245.13643	1.5
247.20509	3.9
251.16302	2.1
253.14098	1.0
253.17952	1.4
255.15852	13.1
257.18945	13.2
259.20407	1.4
261.14792	1.2
267.15915	6.0
269.17429	49.9
273.18484	2.3
275.20026	58.4
277.21686	1.0
285.14600	1.5
291.19547	2.5
293.17914	1.0
293.21112	5.9
299.19885	0.9
303.15964	1.5
313.21671	1.5
321.24124	1.4
331.22662	5.2
335.23422	1.1
339.17804	1.2
341.21082	1.0
349.23697	60.5
351.25089	1.1
353.24005	0.8
365.23370	1.1
367.24716	9.1
371.25723	0.9
383.22369	1.0
395.20551	1.0
409.26379	1.0
413.21671	2.5
419.23907	0.9
423.27136	1.9
423.32501	1.1
425.25052	1.0
431.27899	2.4
433.30197	1.8
435.27335	3.6
439.26788	1.4
445.29849	4.3
447.31094	1.2
449.28940	29.4
451.32083	2.5
463.30466	38.7
469.32809	1.7
471.31021	1.1
479.30087	1.1
485.32825	1.6
487.33392	0.8
503.33530	3.7
507.34738	1.2
511.28058	1.2
511.34818	1.5
515.37250	3.3
519.32916	2.8
521.34723	1.0
525.35669	7.6
527.37299	1.5
529.28040	1.3
529.35303	19.0
531.37280	1.5
541.35236	1.2
543.36743	74.9
544.36853	1.4
547.36218	4.1
559.36005	1.2
561.37811	17.7
583.39740	1.3
589.33270	1.8
593.33148	2.2
595.43713	1.0
605.41687	2.2
607.34320	4.9
623.42944	21.0
641.44104	13.6
659.44873	3.2
669.39282	1.2
681.38525	0.9
687.40497	4.8
691.40149	1.5
705.41437	2.9
767.46924	1.1
785.47705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01333	2.0
71.04982	7.1
73.02904	1.6
73.06528	1.4
78.22505	0.9
79.05486	69.0
81.03414	17.1
81.07052	100.0
83.04967	14.4
83.08611	20.7
84.57820	1.0
85.02900	12.5
85.06538	5.3
86.09668	1.2
87.80080	1.1
87.98969	1.0
91.03906	2.2
91.05475	59.1
93.07035	77.2
95.04959	26.9
95.08596	39.7
95.09205	1.2
97.02888	10.1
97.06523	19.9
97.10160	13.0
99.04461	3.4
99.08105	3.5
103.05452	2.6
105.04510	2.8
105.07028	50.5
107.04944	11.8
107.08586	49.4
109.02872	3.4
109.06519	10.8
109.10144	18.0
111.04440	2.2
111.08071	8.8
113.09604	1.3
115.05453	4.1
115.07590	1.3
116.06145	1.3
117.07007	24.1
119.08568	38.4
121.06481	6.1
121.10130	27.0
123.04381	1.7
123.08038	6.7
123.11690	5.9
125.09608	11.5
125.93381	1.1
126.85015	1.1
127.03909	6.4
127.07532	1.3
128.06206	3.4
129.05484	2.6
129.06966	10.8
130.07776	3.0
131.08556	29.6
133.06483	3.1
133.10120	37.1
135.08023	6.2
135.11685	23.2
137.02367	1.0
137.09613	6.3
139.11111	1.8
141.06958	3.7
142.07785	1.4
143.08554	9.2
145.05017	2.8
145.06456	2.9
145.10109	26.8
147.08006	3.3
147.11667	17.9
149.09615	19.1
149.13254	18.2
151.11160	4.4
155.08597	6.1
157.10121	9.8
159.11684	21.2
161.09636	3.5
161.13226	6.9
163.11165	13.3
163.14822	1.9
165.09013	1.5
165.12723	2.0
167.08546	1.9
169.10156	7.4
171.08104	1.7
171.11690	8.8
173.04474	6.8
173.09657	2.1
173.11830	1.9
173.13203	7.6
175.11226	3.8
175.14821	1.7
177.12714	8.2
179.14287	4.7
181.10115	2.1
181.12271	1.1
183.11699	6.1
184.07396	1.7
185.13200	5.7
187.11176	3.1
187.14832	2.3
189.11197	4.8
189.12706	2.4
191.14314	1.4
193.10074	1.7
195.11766	2.4
195.13812	11.0
197.13260	4.7
199.14856	3.1
200.82060	1.1
201.12776	2.4
201.16376	1.3
203.14339	1.4
209.13127	1.2
211.14848	2.2
213.14760	2.5
213.16548	1.7
221.13263	1.6
221.15340	1.5
225.16515	1.3
227.12738	11.4
229.14272	3.6
229.19484	3.1
239.17975	5.6
247.20570	5.1
253.14275	1.7
253.17873	1.8
255.15912	14.6
257.19022	10.3
259.20566	2.1
267.15735	5.3
269.17441	58.9
275.20044	60.4
276.20425	1.4
277.21585	1.7
293.21063	7.2
315.05066	1.2
321.24393	1.5
331.22717	6.2
347.22128	1.4
349.23709	62.2
365.23294	2.1
367.24759	18.2
395.20615	1.6
413.21683	3.3
423.27490	3.4
431.28180	3.2
433.30841	3.3
435.27191	2.6
439.26544	2.2
445.29355	5.3
449.28925	34.3
451.31866	3.2
463.30566	53.9
469.33005	1.7
473.63388	1.4
493.27786	1.5
501.35553	1.5
503.33221	3.3
515.37030	4.6
519.33313	2.4
525.35840	10.4
529.35522	16.6
543.36780	89.9
547.35999	3.9
549.39160	1.1
561.37799	16.2
589.34930	1.6
593.33112	3.0
605.42010	2.0
607.34546	9.1
623.43280	18.6
641.44080	18.0
659.45197	7.0
663.36285	1.3
687.41162	5.5
705.41565	3.4
724.80865	1.5
785.48523	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
71.63158	0.6
74.97582	0.4
78.07845	0.3
84.95572	0.4
84.96017	4.1
85.02855	0.9
97.02882	0.5
98.97568	16.9
102.97078	0.6
110.97527	3.7
112.99007	0.5
116.98608	18.5
119.01872	0.5
119.27126	0.4
123.04379	1.1
127.00668	0.6
127.03850	1.2
128.97675	0.4
128.98595	10.0
131.00101	1.4
134.99644	10.9
135.04362	1.4
135.83194	0.4
139.03844	1.3
140.00143	0.6
140.98567	1.6
143.00113	4.2
145.01695	0.9
145.02711	0.4
146.99635	13.9
147.04367	1.7
149.01175	1.3
150.99113	0.8
151.03857	0.6
152.98553	1.0
153.00705	0.7
157.03452	0.3
158.01210	0.8
158.99629	12.2
160.99925	0.6
161.01205	9.5
161.02641	0.5
162.99118	0.9
163.02689	0.6
163.03888	4.1
165.00703	2.3
167.02136	0.5
170.01146	0.8
170.99629	11.9
171.88821	0.4
173.01210	1.4
173.02930	0.9
174.99100	1.9
177.00693	14.3
177.05347	0.4
179.02235	1.8
182.01167	0.5
182.99615	5.6
184.02736	0.5
185.01266	0.4
185.02814	0.6
189.00690	21.3
191.02277	0.6
193.00142	2.7
193.01717	0.6
194.99884	0.5
195.01740	2.0
200.02295	1.1
200.98665	1.2
201.00674	33.6
203.02159	0.8
207.00072	0.5
207.01724	2.6
209.01137	0.4
211.01146	0.4
211.02783	2.5
212.02307	1.8
213.00711	2.9
217.00273	2.2
218.99719	4.2
219.01724	36.2
221.01117	0.4
223.02757	1.1
224.02301	1.7
224.04251	0.4
225.00696	0.7
225.04370	1.1
229.03816	1.1
231.01723	3.6
233.01199	1.1
235.01077	0.7
237.00642	19.8
237.02812	15.4
239.02312	0.6
241.03801	0.6
242.01163	0.4
242.03281	2.2
243.01752	12.8
245.04939	2.3
246.05371	0.4
247.01291	1.3
249.02861	0.8
251.02242	4.3
254.03273	0.6
255.01723	41.0
256.02136	0.9
257.04819	0.5
260.02341	1.3
260.04648	0.6
261.02798	52.2
262.03033	1.0
265.02344	1.0
267.01627	0.4
269.03317	6.5
271.06290	0.3
273.02786	57.5
274.03134	0.7
277.00018	0.8
277.02597	0.5
278.03317	2.5
279.04004	30.5
280.04260	0.7
284.04440	1.4
287.04419	2.5
289.07065	0.8
291.03897	8.9
293.03168	3.2
293.06088	0.4
295.01108	1.3
295.03485	1.2
296.04266	3.0
297.02744	30.1
298.03320	0.5
302.05566	4.2
305.03363	0.4
305.06918	0.5
309.02295	2.1
311.04333	5.9
313.02252	3.1
314.05438	0.5
315.03897	8.7
319.00952	0.5
320.04321	3.1
321.05051	9.1
323.04324	1.2
327.03848	4.8
329.05328	0.5
331.03400	1.0
333.02710	1.5
335.04401	1.3
337.02158	5.1
337.09305	0.4
339.03769	3.0
345.04910	0.6
351.03787	1.4
351.06580	0.9
353.05478	0.8
355.03336	11.7
355.07809	0.8
357.04968	0.5
360.04013	0.4
363.03748	2.3
365.09592	0.4
369.04846	1.1
373.04361	8.7
373.08871	0.7
377.05667	0.5
378.04895	1.1
379.03384	1.3
379.07816	0.5
381.04434	6.3
395.06543	0.7
396.05865	0.7
397.04395	3.8
399.05728	8.9
415.05338	1.5
422.07550	0.8
423.05789	4.2
427.05557	1.3
439.05496	1.1
441.07004	3.6
453.06964	1.4
457.08292	3.8
463.05310	0.7
469.05991	0.4
471.08255	0.6
481.08472	10.3
483.08249	1.2
499.07590	6.7
507.60117	0.5
517.08606	6.1
543.10181	6.1
561.11206	87.3
562.11578	3.3
575.13281	0.5
580.37726	0.4
619.11688	5.6
643.11713	30.3
644.12085	1.2
661.12787	5.3
679.13818	100.0
680.14178	4.2
695.88477	0.4
820.30579	0.4
1036.25525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
55.22179	0.1
55.43246	0.1
58.06592	3.1
59.07372	0.9
60.08158	34.3
60.95849	0.3
61.08485	0.3
66.54932	0.1
70.43748	0.4
76.10547	0.1
78.98575	0.1
79.05494	0.3
86.09715	0.1
87.04479	0.1
95.04969	0.2
103.05562	0.1
104.10735	100.0
105.07011	0.6
105.11066	1.3
109.93864	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
58.06589	2.8
59.07377	0.7
60.08156	31.1
61.08493	0.3
63.39975	0.1
64.56450	0.1
66.12714	0.1
68.26945	0.1
69.03419	0.2
69.57777	0.1
69.57928	0.2
69.58360	0.6
76.55756	0.1
78.78346	0.1
85.83411	0.1
86.06034	0.1
86.09689	0.2
87.04449	0.5
88.07618	0.1
104.10731	100.0
105.10448	0.1
105.11061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02359	1.1
53.03941	5.8
64.95530	0.7
65.03919	2.0
71.00746	1.5
71.01101	0.9
77.03921	1.8
79.05484	37.0
80.05785	1.1
81.03377	0.7
84.95272	0.7
95.04958	18.7
103.05454	25.9
105.03394	1.1
105.04505	3.1
105.07017	100.0
106.06628	1.2
106.07352	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03940	5.4
60.04507	1.2
60.08142	2.6
60.95841	2.0
61.08487	4.4
64.95546	1.5
65.00646	0.7
65.03935	4.9
71.61263	0.9
71.61638	0.9
77.03918	2.2
79.05486	30.3
79.05955	1.5
94.59746	0.9
95.04966	16.9
103.05458	22.3
104.05784	0.8
105.03371	1.7
105.04530	5.4
105.07021	100.0
105.10410	1.0
105.11068	12.8
106.06555	2.7
106.07349	4.6
110.87053	0.7
111.51559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02366	1.1
52.42535	0.7
53.03940	7.1
56.96573	1.0
57.04537	1.3
59.03734	1.9
60.04521	3.9
60.95845	1.1
65.03935	2.8
71.63684	0.9
75.05595	1.2
76.03986	1.7
77.03924	1.9
79.05486	37.8
88.07623	1.6
95.04963	21.4
96.05286	1.1
103.05455	22.8
105.03388	2.4
105.04523	5.8
105.07022	100.0
105.11069	2.9
106.06553	4.5
106.07362	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	1057.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	12.3
73.52895	0.4
77.03899	1.2
79.05039	0.8
79.05475	11.1
81.03412	3.5
81.07043	22.5
83.01305	0.7
83.04967	7.7
83.08601	5.4
85.02889	42.1
85.06499	1.0
86.03210	0.5
87.04426	1.2
91.03918	1.8
91.05460	25.9
93.07028	26.7
95.01308	13.2
95.04963	7.1
95.08588	41.4
96.08889	0.6
97.02875	35.1
97.06516	3.8
97.10156	2.6
98.20747	0.9
99.00793	1.2
99.04436	2.2
99.22115	0.5
101.02352	1.2
103.03920	2.2
103.05420	2.3
105.04498	0.9
105.07011	36.8
107.04952	2.3
107.08575	44.5
108.08824	0.6
109.02856	3.3
109.06500	4.5
109.10133	23.7
111.04411	0.9
111.08043	1.4
111.11681	0.7
113.02357	2.4
113.05895	0.5
115.03133	0.6
115.03911	9.7
115.05421	4.0
116.06198	1.7
117.07000	8.4
119.04897	0.7
119.08559	41.3
120.08890	0.5
121.06488	7.3
121.10121	34.4
122.10433	0.6
123.00768	0.8
123.04418	1.0
123.08046	4.4
123.11686	12.9
125.09599	0.5
127.03893	12.4
127.07539	0.7
128.06189	4.8
129.06984	8.6
130.07785	2.6
131.03369	1.5
131.04895	1.2
131.08539	30.1
133.04942	2.4
133.06494	3.6
133.10104	39.5
135.04425	0.5
135.08035	8.9
135.11667	23.8
136.12000	0.6
137.05943	1.8
137.09572	2.8
137.13242	6.2
139.03928	1.0
139.07547	0.5
139.11165	0.8
141.01801	39.3
141.06947	4.6
142.02112	0.7
142.07748	6.0
143.08531	14.7
144.05626	1.1
144.09312	2.0
145.04921	17.9
145.06427	7.1
145.10092	41.5
146.07249	3.7
146.10437	0.7
147.08022	20.6
147.11659	20.3
148.08295	0.5
149.05922	1.5
149.09584	14.5
149.12146	0.8
149.13229	10.2
151.07521	2.3
151.11165	2.4
151.14752	1.3
153.06953	2.2
154.07735	1.5
155.08521	12.0
156.09322	5.8
157.06461	1.6
157.10094	17.9
158.07227	3.1
158.10884	3.1
159.02873	6.6
159.08034	21.6
159.11658	20.9
160.08696	0.9
160.12317	0.9
161.05916	1.4
161.09595	28.7
161.13213	11.6
163.05974	7.7
163.07500	5.1
163.11147	3.3
163.14799	4.5
165.07021	2.3
165.09073	8.9
165.12708	0.6
166.07761	1.0
167.07117	0.5
167.08513	5.3
167.10699	0.7
168.09303	2.4
169.06329	0.6
169.08662	0.6
169.10078	10.1
170.07281	0.6
170.10878	5.1
171.08002	4.2
171.11650	13.7
172.08789	3.1
172.12433	1.9
173.05942	1.2
173.09593	16.2
173.13234	13.9
174.10303	1.0
174.13762	0.7
175.07510	5.7
175.11176	5.3
175.14784	9.9
177.03976	2.6
177.09079	7.9
177.12645	2.3
177.16331	2.7
178.07724	0.6
179.07083	0.7
179.08556	2.0
179.10623	1.6
179.14288	2.0
180.09326	1.4
181.10085	4.6
181.11665	0.5
181.12225	0.4
182.10881	6.5
183.08025	3.8
183.11664	9.0
184.08751	1.2
185.09605	6.3
185.13222	11.8
186.10361	2.9
186.13882	0.8
187.07539	6.7
187.11162	8.5
187.14781	17.5
188.08292	0.7
188.15190	0.6
189.09093	2.9
189.12738	6.7
189.16342	22.0
191.08769	0.6
191.10638	2.4
191.14363	2.4
191.17914	66.5
192.09311	1.7
192.18289	1.3
193.08560	0.8
193.10104	2.2
193.12175	1.2
194.10843	1.3
195.08055	2.7
195.11642	6.6
196.08795	0.9
196.12419	1.5
197.09592	2.3
197.13220	17.8
198.10368	3.6
198.13956	0.6
199.07579	0.5
199.11130	4.7
199.14778	5.4
200.11870	1.4
201.09087	4.6
201.12715	10.0
201.16331	8.3
202.13229	0.5
203.10597	1.1
203.14291	9.7
203.17917	16.7
204.08682	0.7
204.18259	0.7
205.10274	0.8
205.12212	2.4
205.15891	2.4
205.17519	0.5
205.19484	1.9
206.10863	0.8
207.11749	4.7
207.13637	1.0
207.17421	3.9
208.12401	1.8
209.09546	1.4
209.13191	5.9
210.10344	3.0
210.13841	0.7
211.11159	3.3
211.14775	3.7
213.12708	13.9
213.16209	4.7
214.13448	0.8
214.17070	0.8
215.10751	1.3
215.14282	26.9
215.17705	5.9
216.14580	0.6
217.12177	6.0
217.15854	1.9
217.19441	5.0
219.04852	0.5
219.10075	1.2
219.11729	1.1
219.13699	5.1
220.12369	1.2
221.11606	0.4
221.13290	3.5
221.18932	0.6
222.13966	0.9
223.05894	0.7
223.11165	1.5
223.13358	0.4
223.14839	4.2
224.15681	0.5
225.12715	10.3
225.16269	4.2
227.10583	0.6
227.14264	3.4
227.17830	2.6
228.11397	0.6
229.12271	3.0
229.15820	1.9
229.19447	5.9
231.13763	21.8
233.11433	0.8
233.13242	1.4
233.15283	9.1
234.13945	1.5
235.11023	0.9
235.12894	0.9
235.15036	3.0
236.15437	0.6
237.12624	1.3
237.16411	4.2
239.14275	2.0
239.17928	2.5
241.07126	1.1
241.12273	0.7
241.15833	2.1
241.19464	2.3
243.13760	31.1
243.17516	0.9
243.21048	1.6
244.14201	0.7
245.15341	3.5
246.13959	0.5
247.12863	2.6
247.16945	0.5
247.20639	0.5
249.14799	4.8
249.16626	2.4
251.14279	1.1
251.17967	5.1
253.15904	2.4
253.19496	2.2
255.04900	1.0
255.13857	0.9
255.17458	1.6
255.21031	3.3
256.21640	0.6
257.15454	1.1
257.22556	4.3
259.08014	1.2
259.16956	1.2
261.14767	32.9
263.13989	0.7
263.16180	0.8
263.18130	1.1
265.13998	0.8
265.16293	0.8
265.19534	1.9
267.17401	3.3
267.20993	1.1
269.15469	0.7
269.18948	1.7
269.22604	0.9
271.17157	0.9
273.06027	1.9
273.18716	0.8
275.17719	1.4
277.14136	0.9
277.19443	1.2
279.15833	100.0
280.16196	1.8
281.18927	1.7
281.22244	0.6
283.16849	1.7
283.20526	1.6
285.18472	1.3
291.06992	0.9
291.20993	1.4
293.19205	2.0
293.22388	0.6
295.10101	2.3
295.16855	1.7
295.20419	1.1
295.23944	0.5
297.18472	2.8
297.21765	0.7
299.16638	0.5
299.20032	1.5
303.07156	0.7
303.20413	1.3
305.18976	0.8
305.22491	0.6
307.20404	1.1
307.24008	0.8
309.08093	1.6
309.18597	0.7
309.22070	1.0
311.19977	1.5
313.17999	1.4
315.19397	2.0
317.22305	1.0
319.20416	1.5
319.23932	0.8
321.08112	6.0
321.22113	0.7
323.19958	1.2
329.20865	3.2
331.24188	1.1
335.23688	1.2
337.21472	1.0
337.25208	0.8
339.09216	0.6
345.25772	1.1
347.23203	0.7
349.25150	1.7
351.23038	0.7
355.22684	0.6
357.25598	1.3
359.23358	0.6
361.28998	0.8
363.22769	0.6
365.19919	0.6
373.29031	0.7
375.26624	1.0
375.30646	1.0
377.24390	0.6
377.31989	1.5
385.28925	1.3
387.30411	15.5
391.29916	1.4
393.27469	0.9
397.28741	0.9
403.29929	8.7
405.31476	27.1
406.31900	0.9
409.31052	0.8
415.29883	11.3
421.30948	13.6
422.31439	0.5
423.32538	6.5
433.30960	38.6
434.31342	1.4
439.32074	6.8
441.33417	0.7
451.31989	59.7
452.32263	1.8
457.32916	0.7
469.33069	59.1
470.33337	2.3
487.34125	30.1
488.34589	1.2
551.37170	0.7
581.34399	1.9
583.36456	0.6
587.39880	0.5
597.33887	0.5
599.35760	1.5
609.34357	0.9
615.35071	0.7
627.35022	2.7
645.35992	2.7
663.36792	1.0
713.39093	0.6
875.44714	2.0
893.45837	0.8
921.44824	3.1
939.45795	11.7
940.45514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.2
52.47263	0.2
53.03944	1.5
55.01865	0.2
56.96561	2.1
58.06608	0.5
59.03731	1.2
60.04521	2.6
64.95546	0.4
65.03918	0.8
67.04248	1.8
69.47694	0.2
70.06577	1.3
71.03732	0.3
71.04981	0.6
71.29380	0.6
72.04514	0.4
73.05275	0.4
73.67390	0.3
74.02424	0.4
74.51834	0.2
76.03986	0.9
77.03906	0.4
79.05485	15.9
80.05016	2.8
80.05768	0.4
83.52340	1.3
84.01553	0.3
84.32469	0.3
84.33010	0.2
85.10206	0.2
87.35686	0.3
88.03976	0.5
88.07623	1.2
89.03906	0.4
89.04767	0.5
89.07939	0.3
90.12341	0.3
91.05473	2.5
91.48189	0.6
92.52866	1.0
95.03124	0.3
95.04961	4.0
95.22707	0.2
96.04495	1.9
96.05278	0.3
103.01742	0.3
104.90798	0.3
105.04494	0.4
105.07045	0.8
106.06544	100.0
107.04950	6.4
107.06079	2.5
107.06880	3.0
107.08562	1.4
109.06519	0.5
123.12238	0.2
124.46270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.6
53.03944	1.7
55.62595	0.6
59.21017	0.6
60.46419	0.6
60.73326	0.6
65.03936	11.7
65.04477	0.5
66.03457	0.7
67.04238	0.8
67.05497	1.9
70.74884	1.2
70.75263	1.1
79.05048	1.0
79.05487	17.5
80.05008	4.8
81.04519	0.7
91.05470	100.0
92.05780	2.3
92.06275	2.0
93.05790	0.8
95.04956	2.6
105.04490	0.8
105.07019	34.7
106.04121	0.8
106.07265	0.7
107.04946	10.8
107.06062	4.3
107.08578	51.6
108.04455	1.1
108.05575	1.9
108.08092	2.2
108.08916	1.9
109.06500	25.0
110.06756	0.8
119.06048	6.5
120.26810	0.6
120.80066	0.6
124.05164	1.2
124.59268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02375	0.6
53.03935	1.9
54.00163	0.6
54.95724	0.5
55.01858	0.8
55.90206	0.5
65.03934	10.7
65.36491	0.5
67.02991	0.7
67.04242	2.2
67.05499	2.5
69.79671	2.7
79.05484	19.3
80.05009	5.7
81.04533	0.5
84.01526	0.6
91.05470	100.0
92.05779	1.5
92.06254	2.2
95.04946	3.5
98.21252	1.5
101.23653	0.5
103.05482	0.6
105.04523	1.1
105.07018	38.0
106.06567	0.8
106.07323	0.9
107.04199	0.5
107.04951	12.0
107.06088	4.3
107.08582	56.0
108.04440	1.5
108.05592	2.3
108.08100	2.5
108.08903	2.0
109.06503	28.0
110.06831	0.7
111.45200	0.6
119.06061	7.7
121.93858	0.5
122.42632	0.5
124.05210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.49144	0.7
53.03931	3.6
54.06728	0.7
55.01847	0.7
65.03940	10.3
67.04237	1.7
67.05504	2.3
69.66930	4.3
69.67371	1.2
69.67444	0.9
76.75050	0.7
79.05483	28.7
80.05020	6.1
84.01555	0.9
91.05470	100.0
92.05767	1.0
92.06261	2.5
93.05768	1.8
95.04955	7.3
98.20824	1.2
105.04498	1.5
105.07017	30.3
106.06593	0.9
106.07330	1.2
107.04200	0.8
107.04945	23.1
107.06082	3.1
107.08580	47.3
108.04452	1.1
108.05570	2.8
108.08097	2.5
108.08820	1.2
109.06503	23.2
119.06065	6.3
121.26703	0.7
122.24230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03934	0.8
55.01863	0.6
65.03933	10.5
67.05496	2.1
70.83765	1.1
70.84106	0.6
79.05486	14.5
80.05018	1.6
91.05472	100.0
92.05765	2.8
92.06268	2.0
93.02093	0.4
93.05763	0.5
95.04963	2.1
105.07018	34.6
106.06522	0.4
106.07329	0.8
107.04939	5.5
107.06092	0.9
107.08584	54.0
108.04484	0.6
108.05600	0.6
108.08105	1.3
108.08911	1.5
109.06503	24.8
119.06049	7.3
124.05174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.557
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03889	0.2
79.05482	7.9
80.05824	0.1
80.06226	0.1
81.07046	14.0
82.07378	0.2
83.04972	0.6
83.08609	1.6
85.02899	0.1
85.06547	0.3
91.05470	3.9
93.07033	9.9
94.07334	0.1
95.04956	1.2
95.08593	12.3
96.08914	0.1
97.06503	0.7
97.10159	0.6
98.06044	0.3
98.98458	0.3
99.08094	0.2
105.04487	0.1
105.07018	2.6
107.08581	5.0
108.08928	0.1
109.06506	0.4
109.10139	4.8
111.08083	0.3
117.06998	0.9
118.07435	0.1
119.08571	2.3
121.10130	4.4
123.08033	0.4
123.11681	1.4
124.01591	0.5
125.09631	0.2
127.07533	0.1
129.06993	0.1
131.08553	1.6
133.10114	1.6
135.11685	2.3
137.09607	0.1
137.13249	0.3
142.02634	0.2
143.75156	0.1
145.10092	1.0
146.26828	0.1
147.11665	0.9
149.09615	0.2
149.13235	1.0
151.11145	0.1
159.11673	0.6
161.13213	0.5
163.11147	0.1
163.14774	0.5
173.02054	0.2
173.13264	0.6
175.14803	0.3
177.16325	0.1
187.14815	0.3
198.05235	0.3
201.16335	0.2
216.06348	0.7
243.21107	0.1
261.22110	0.6
283.44604	0.1
304.26303	2.5
305.26938	0.1
335.25751	100.0
336.26123	2.9
400.31143	0.1
403.60608	0.1
423.31390	0.1
458.26691	1.0
476.27686	6.1
477.27637	0.1
519.93536	0.1
956.08191	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	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
52.78323	0.4
53.03545	0.5
53.03940	7.0
55.01864	5.1
55.05503	4.3
55.93533	0.5
65.03941	3.6
66.04723	1.0
67.05497	42.5
68.05025	5.0
68.05821	0.5
69.04549	5.1
69.07056	2.2
69.45748	4.7
71.94100	0.9
72.93776	2.4
74.99821	0.6
75.49706	0.5
77.43153	0.4
77.99915	1.6
79.05485	30.2
80.05807	0.7
81.03410	8.5
81.07047	41.9
82.06565	2.0
82.07368	1.1
83.06082	1.1
86.00683	3.9
86.50611	4.0
87.00453	34.3
89.50729	0.6
90.94833	1.1
91.05473	10.3
92.05014	0.6
93.04506	0.5
94.04184	2.4
95.01192	1.4
95.04951	0.9
95.51138	0.8
96.00977	10.3
98.01388	1.3
98.51244	8.9
105.01469	0.5
107.04944	1.4
107.08583	1.5
108.95741	0.5
109.02861	2.1
109.06507	100.0
109.07578	6.8
109.10143	25.3
109.10902	1.0
110.02019	0.6
110.06125	2.6
110.07165	20.7
110.10475	1.0
111.96877	2.3
112.96708	1.9
113.96390	16.9
129.97874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03912	2.8
79.05480	24.8
81.03410	8.4
81.07047	43.9
83.04973	49.9
83.08602	9.4
85.02894	78.0
85.06543	1.5
87.04459	3.2
91.03957	3.2
91.05469	41.2
91.86953	1.4
93.07028	45.1
94.61511	1.4
95.01315	26.1
95.04962	15.8
95.08592	71.5
97.02879	71.2
97.06461	1.5
97.10153	4.9
99.00783	2.8
99.04431	3.1
101.02365	1.8
101.06001	3.8
103.03922	3.8
103.05440	3.9
105.07019	50.4
107.04938	3.7
107.08580	76.8
109.02857	7.0
109.05302	2.1
109.06501	9.8
109.10146	32.6
111.08086	2.5
111.11728	2.0
113.02332	5.0
115.03915	18.3
115.05434	5.7
116.06207	2.5
117.06990	11.5
119.04932	1.4
119.08565	69.6
121.06497	8.2
121.10127	59.3
123.04446	1.8
123.08039	7.9
123.11691	25.2
125.09624	1.5
127.03912	21.0
128.06219	9.3
129.07004	12.4
130.07826	2.1
131.03381	2.9
131.08549	41.4
133.04932	5.1
133.06453	4.1
133.10112	45.5
135.08009	8.5
135.11684	32.3
137.05911	2.8
137.09593	3.1
137.13239	12.8
139.03899	2.6
141.01808	78.8
141.06958	7.4
142.07736	8.9
143.08531	25.5
144.09299	4.4
144.74933	1.4
145.04932	35.1
145.06398	5.6
145.10104	52.9
146.07286	1.3
147.08028	25.3
147.11667	26.8
149.05960	4.7
149.09612	21.7
149.13228	16.5
151.07483	1.7
151.11154	2.6
151.14781	3.4
153.06978	3.7
154.07719	2.4
155.08533	19.8
156.09323	12.1
157.06473	1.9
157.10127	32.6
158.07239	3.8
158.10863	3.0
159.02861	12.5
159.08038	25.2
159.11668	33.7
161.05893	2.9
161.09581	15.2
161.13226	16.1
163.03883	2.2
163.05986	12.4
163.07481	5.7
163.11150	3.9
163.14807	7.7
165.06978	4.6
165.09123	3.6
167.07118	2.1
167.08495	9.4
167.10710	1.5
168.09265	5.4
169.10110	20.2
170.07207	3.0
170.10907	8.0
171.08047	9.6
171.11674	25.6
172.08788	5.1
172.12390	3.3
173.05884	1.6
173.09612	14.0
173.13242	23.8
174.10338	1.6
175.07545	5.8
175.11188	6.9
175.14804	14.8
177.03926	3.6
177.05350	1.4
177.09035	3.6
177.12692	3.2
177.16356	3.8
179.08543	4.4
180.09290	3.0
181.10121	11.4
182.10898	12.2
183.08046	5.1
183.11662	20.6
184.08815	2.3
184.12276	1.9
185.09627	10.2
185.13219	24.5
186.10347	4.4
187.07524	15.6
187.11153	11.2
187.14813	30.1
188.08289	1.4
189.09035	3.5
189.12737	5.5
189.16353	34.8
189.18045	1.8
191.10558	3.6
191.17923	100.0
192.09326	2.8
192.18245	2.2
193.10071	6.7
194.10895	2.2
195.08026	4.5
195.11655	13.2
196.08772	2.0
196.12328	2.6
197.09552	5.4
197.13226	28.7
198.10320	7.2
199.11166	20.6
199.14796	13.6
200.11917	2.1
201.09096	4.6
201.12708	18.9
201.16374	14.9
203.10709	2.8
203.14272	7.9
203.17931	22.7
205.10210	2.3
205.12265	2.3
205.19556	1.8
206.10919	2.2
207.11671	10.5
207.17392	3.4
208.12442	4.1
209.09689	1.9
209.13248	12.1
210.10390	4.8
211.11230	7.1
211.14758	12.3
213.12727	32.7
213.16255	10.2
215.08939	3.3
215.10703	4.9
215.14296	44.1
215.17749	9.7
217.12233	12.1
217.15790	4.1
217.19499	6.2
219.11632	5.1
219.13792	5.6
220.12436	2.9
221.13286	7.8
222.14035	3.5
223.11118	3.5
223.14769	9.2
224.15398	1.8
225.12738	18.0
225.16223	6.8
227.09102	3.9
227.14334	8.0
227.17795	7.7
229.12202	5.7
229.15842	3.6
229.19418	7.9
231.11691	1.1
231.13766	31.2
232.11922	1.4
233.13347	2.4
233.15358	6.9
234.13937	2.1
235.14902	7.6
236.15526	1.8
237.12715	3.1
237.16373	10.9
238.17055	1.6
239.14362	6.6
239.17924	8.2
241.07013	3.4
241.15837	4.0
241.19514	6.2
243.13774	55.2
243.21049	3.4
245.10193	14.9
245.15364	5.3
246.13770	2.1
247.14856	2.8
247.20378	1.9
249.16565	8.8
251.14194	5.8
251.17912	7.3
253.15768	6.5
253.19437	4.6
255.17436	5.5
255.20992	6.0
257.15433	1.7
257.18787	1.4
257.22577	9.5
259.08081	4.5
259.14798	2.2
261.14713	31.7
263.13837	1.8
263.16132	1.9
265.15857	5.9
265.19489	4.0
267.17410	11.5
267.21042	3.2
269.15659	2.3
269.19000	7.3
273.06055	4.2
275.18042	2.5
277.15784	2.8
277.19482	3.1
279.17542	3.4
281.15271	2.3
281.18967	4.3
283.16934	3.5
283.20520	2.2
285.18439	1.7
289.19397	3.6
291.07001	2.8
291.17355	2.0
291.20996	4.4
293.19031	3.2
293.22351	1.8
295.10104	4.8
295.17059	2.9
295.20218	2.6
297.18335	4.2
303.07068	1.9
303.15927	8.0
303.21011	2.6
305.19357	1.7
305.22614	3.0
307.20801	1.5
309.07990	4.6
309.16840	2.0
309.22070	2.4
311.19943	2.3
317.22629	2.3
319.20419	3.2
319.24133	2.1
321.08243	13.9
321.16916	54.5
321.21204	2.6
321.22171	2.3
329.22266	2.5
331.24033	2.7
335.23718	2.0
337.21616	1.7
339.09027	2.8
343.19104	7.0
345.21298	1.9
345.25677	1.4
347.23434	1.9
347.27402	2.2
349.25046	1.8
360.28647	1.6
361.20050	5.4
361.28824	2.0
363.26816	3.0
365.24640	1.7
373.28955	2.1
375.26547	1.6
375.30389	11.8
377.32062	4.9
380.10327	1.4
385.28745	5.8
387.30405	28.9
391.30103	3.0
393.31470	4.8
397.28934	1.6
403.21936	6.7
403.29892	50.7
405.31476	71.6
409.30969	2.7
415.29871	25.4
421.30969	56.8
422.31702	1.6
423.32462	14.1
433.30984	81.6
434.31128	2.0
439.32074	11.2
451.32037	92.2
452.32455	3.1
463.32016	17.7
469.33090	15.2
475.32394	3.3
481.32986	5.3
493.26346	2.5
493.33112	39.8
511.34192	38.1
515.35150	1.7
521.36548	1.5
529.35162	6.7
533.36115	9.4
551.36902	9.3
581.34686	2.2
593.38306	91.6
594.38440	3.9
599.35931	2.2
609.34027	1.9
611.39276	16.0
612.38995	2.4
627.34827	2.4
645.35950	2.6
687.37323	1.9
787.42401	2.7
863.43372	2.4
875.43616	3.7
891.42670	4.8
893.43640	4.3
903.42169	2.6
909.44250	9.2
921.45453	7.2
939.45544	21.8
951.44458	4.8
981.46802	38.3
982.46075	1.6
1021.49548	3.3
1039.50415	2.2
1081.51941	43.4
1082.52319	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	1125.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
88.39114	0.1
91.05378	0.1
98.21112	0.1
106.32587	0.1
142.56898	0.1
143.74319	0.1
178.17351	0.1
260.68930	0.1
263.96881	0.1
311.25714	0.2
396.12045	0.4
397.12894	0.8
398.13910	0.4
399.14313	0.3
400.14990	0.1
409.12961	0.3
410.13776	1.0
411.14456	3.0
412.15237	2.7
413.16022	1.5
414.16602	0.2
422.34741	0.1
423.14886	0.8
424.11035	0.7
424.16281	1.2
425.16211	6.8
426.16855	4.8
427.17551	1.4
428.18478	1.4
429.15341	0.1
430.15784	0.1
436.15558	0.1
437.11282	0.2
437.15906	0.6
438.12961	1.3
438.17255	0.9
439.13525	9.7
440.13663	0.8
440.19043	3.9
441.19232	24.8
442.19586	2.1
443.17563	0.1
444.18134	0.2
451.12958	0.2
451.17508	0.5
452.14053	1.7
453.15216	11.3
454.15808	3.3
455.16104	0.2
455.20834	0.3
456.13416	0.2
456.19113	0.1
457.14655	0.6
458.14767	0.4
459.20584	0.2
463.13968	0.6
464.14621	0.2
465.15298	0.5
466.11942	0.3
466.17545	0.5
467.17126	18.8
468.17816	8.8
469.18762	8.9
470.18536	0.7
471.16751	0.7
472.17142	0.5
477.15173	0.2
478.15625	0.2
479.16904	0.3
480.17535	0.8
481.14639	10.9
482.15244	2.6
483.16464	0.4
484.17093	0.3
485.18488	1.0
486.18478	0.3
487.19385	0.2
491.17047	0.1
493.14966	0.3
494.17188	0.6
495.16013	4.1
496.17078	8.4
497.17914	2.5
498.19601	0.3
499.15417	0.5
499.19510	0.8
500.20374	0.2
501.21252	0.1
507.15445	0.1
508.19873	0.9
509.18283	1.8
510.19980	0.3
511.20612	0.1
512.20703	0.7
513.20898	0.3
514.22418	2.4
515.21985	0.2
522.17712	0.9
523.19800	1.2
524.20001	0.3
525.17548	0.3
526.18280	0.2
527.23438	2.3
528.23096	0.3
536.19165	0.4
537.19440	0.9
538.19360	0.2
539.19092	0.3
540.19836	0.4
541.20618	0.2
542.21582	0.8
545.23993	0.5
546.24194	0.1
551.18909	0.2
552.20258	0.1
554.19861	0.1
555.22321	24.8
556.22601	2.0
557.21655	0.1
558.20563	0.1
567.17773	0.2
568.19043	0.4
573.23444	0.4
582.21198	0.1
583.21790	67.6
584.22076	5.4
585.21454	0.2
586.20367	0.7
587.25122	1.2
588.25336	0.2
599.21674	0.1
600.21790	0.3
601.22284	0.2
611.21136	1.6
614.23547	0.9
615.24402	4.8
616.24213	0.3
625.22870	0.2
628.20764	0.1
629.22137	0.1
642.23169	3.7
643.23822	100.0
644.24097	5.4
645.24573	0.1
855.75439	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	113.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03240	1.7
54.03468	18.2
55.05498	2.3
56.05013	5.9
58.06585	4.1
64.26678	2.0
68.05017	2.8
70.06590	17.8
70.86939	4.8
71.06099	1.7
71.06925	2.7
72.04489	2.9
72.08148	8.9
72.93769	1.8
79.05488	3.7
81.04536	15.3
83.06091	100.0
84.06406	3.0
85.07670	2.3
86.06062	5.0
91.06815	1.8
95.06058	5.5
96.04475	2.8
96.08112	11.6
97.07644	2.2
99.00660	2.2
110.37955	1.6
113.02335	8.7
113.03484	2.6
113.04633	1.8
113.07118	24.0
113.08389	3.3
113.09053	19.0
113.10732	11.4
114.06659	3.8
114.09163	13.8
114.10277	19.9
117.17449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42048	1.4
53.03942	1.5
55.01866	3.2
55.03793	2.4
55.05505	8.4
56.05028	2.8
56.95441	1.6
56.96563	24.5
57.03431	9.0
58.99858	8.8
60.05648	3.0
60.95837	1.9
61.02932	1.7
61.76531	1.4
68.05027	4.9
69.03431	7.2
69.07059	1.9
69.68588	3.6
69.69015	7.4
70.06586	5.7
70.99856	2.6
71.06911	1.6
72.04513	3.3
72.05625	3.4
72.08143	7.2
72.93784	25.9
73.02906	3.7
77.00900	11.2
79.05497	1.6
80.52695	1.7
81.03426	2.8
81.04538	1.9
82.01441	10.6
82.04855	5.4
84.08139	3.4
85.02889	2.4
85.53714	2.5
86.06065	3.7
88.02663	2.6
89.00891	2.5
90.94850	8.5
91.00515	2.4
91.02312	3.9
93.53465	2.0
95.01911	7.5
96.08128	4.0
97.06503	1.7
97.07650	4.3
98.01313	1.9
98.06035	2.4
98.20774	2.8
100.01070	4.1
100.02463	98.7
101.00845	4.1
101.02567	5.7
102.02287	2.8
102.39450	1.9
102.53088	2.9
103.02443	2.1
109.03510	2.6
111.02898	7.4
111.53645	5.0
112.07604	5.4
113.00839	1.6
114.03992	2.4
114.05587	2.0
114.06673	3.4
114.07437	4.3
114.09157	28.5
114.10286	12.0
115.02412	1.7
118.03506	100.0
119.01907	16.9
119.03622	7.3
120.01997	3.3
120.03378	3.4
121.01637	5.6
121.03436	1.7
123.04053	3.3
131.01884	9.6
131.97412	3.1
132.05064	3.2
133.01660	2.1
133.03458	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	115.0754
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.03931	4.1
54.68708	1.4
55.01867	7.8
55.05505	5.3
55.36413	1.4
56.05027	13.1
56.96560	8.1
56.96821	1.4
57.03426	3.2
57.04551	3.6
58.02950	2.1
59.03738	16.6
59.04994	20.0
59.06129	2.9
60.04501	3.1
67.05490	10.6
69.03431	7.2
69.04573	1.3
69.07059	100.0
70.02924	1.6
70.06583	17.7
70.07401	4.9
71.04985	31.6
71.61546	1.3
71.61964	1.7
72.08149	3.0
73.02911	9.8
73.06560	8.8
73.07671	30.0
73.93874	1.5
74.02423	2.1
74.06071	5.3
74.93819	7.6
75.05605	3.1
79.05484	16.9
80.05816	2.5
85.02892	2.6
86.06068	1.7
87.00819	1.7
87.04461	20.0
87.09231	3.3
88.07613	3.8
92.94870	2.5
93.03690	1.8
95.04997	1.9
95.05838	1.4
97.02842	2.3
97.06523	20.4
97.07652	6.5
98.06050	6.7
104.01221	1.5
115.03931	22.9
115.05480	26.1
115.07552	5.6
115.08694	5.3
115.09492	13.2
115.12359	1.5
116.01640	2.3
116.07087	8.3
116.10727	1.6
133.97490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	53.0
57.80891	4.9
59.06110	23.3
60.04506	5.0
66.97440	5.0
69.03407	8.3
71.09692	12.6
71.95250	8.2
75.05599	15.6
75.69456	5.7
76.07629	5.9
82.01403	6.5
83.52330	10.0
92.52855	10.7
98.97577	82.7
100.02476	45.6
103.02885	5.0
106.04997	8.1
109.02883	6.5
112.07597	11.4
115.05537	10.2
116.98627	100.0
117.10247	5.6
118.03512	38.7
127.70637	4.8
134.99631	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02368	3.9
53.03698	1.9
53.03942	34.9
55.01866	1.9
55.42685	1.4
57.99579	1.1
58.06593	1.3
69.51919	6.9
69.52327	3.3
72.08147	8.0
77.03522	2.2
77.03912	4.5
83.52370	5.9
91.04609	1.5
91.05470	52.0
92.52882	8.3
95.04959	88.0
96.05301	1.7
103.05477	1.6
104.03706	1.3
104.06273	2.2
105.04500	13.8
106.53911	1.2
113.95658	1.3
117.07001	4.6
118.06530	100.0
119.06067	2.9
119.06866	4.6
119.08564	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02365	3.6
53.03944	29.4
55.01853	1.8
55.05484	1.5
62.23513	1.5
69.34548	2.9
69.34946	17.1
72.08144	5.5
77.03905	4.5
79.05478	2.9
81.03398	2.7
83.52354	2.2
91.05470	37.8
91.06008	3.1
92.52895	2.4
95.04959	90.5
98.21111	8.1
104.06245	2.7
105.04509	19.1
116.05774	2.5
117.06972	3.3
118.06536	100.0
118.07256	3.7
118.08630	2.9
119.06099	2.6
119.06856	3.5
119.08571	27.6
123.37809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01862	4.5
55.05495	1.9
56.05016	3.3
56.05831	1.3
56.96560	42.3
57.03420	4.2
57.03711	0.9
58.06602	1.0
58.99847	1.8
59.04987	1.6
59.06121	21.5
59.19907	0.9
60.04510	2.7
60.95832	1.4
61.02906	2.0
62.02440	0.9
65.03925	3.1
67.01827	0.8
67.05495	3.4
68.02628	1.1
68.95275	1.6
69.03064	1.7
69.03423	24.4
69.07069	1.2
70.03746	2.1
70.98471	1.1
70.98817	2.0
71.02982	2.6
71.04976	2.5
72.04494	3.0
72.08150	15.4
73.02921	1.1
73.05283	1.7
73.08477	4.1
74.06077	5.2
74.97591	1.8
76.51590	1.3
77.00851	2.2
78.01034	0.9
78.52953	2.8
79.05476	2.6
80.03468	0.9
81.03398	2.7
81.53497	1.4
82.01433	2.3
82.51568	1.2
82.99825	1.0
83.00777	1.0
83.01473	1.0
83.52364	1.0
84.01595	0.9
84.04501	3.1
84.08128	2.4
85.02901	2.2
85.06556	2.1
86.06066	0.9
86.52694	1.9
87.00826	1.7
87.05572	4.1
87.53486	4.4
91.02339	1.2
91.05470	49.8
92.05846	1.1
93.07034	2.7
93.53474	3.9
94.54269	1.2
95.04957	1.8
95.52325	1.3
96.01553	1.8
97.02229	1.1
97.02845	1.1
97.99174	2.3
98.01265	2.1
98.52673	1.5
98.97567	2.2
99.04360	1.6
100.02469	30.3
101.00880	7.6
101.02561	5.9
102.02239	6.1
102.05486	1.0
102.09148	6.7
103.02419	2.5
103.05470	5.4
104.01282	1.4
104.06302	1.0
104.52860	3.9
105.02068	3.2
105.06985	1.2
106.01023	3.5
107.01836	1.1
107.05192	1.6
107.53198	2.9
109.02845	0.9
112.07600	2.0
114.02545	1.1
115.02390	1.4
116.00228	1.4
116.05739	2.6
116.52865	1.1
116.53721	2.1
116.55865	1.1
116.98609	2.5
117.03969	1.2
117.06991	2.2
118.03507	31.1
119.01908	100.0
119.03555	13.4
119.04934	3.1
119.06052	3.5
119.08574	14.0
120.02026	6.9
120.03224	5.7
120.04520	1.2
120.05595	2.0
120.08094	12.7
120.10193	2.2
121.03493	4.5
125.84917	1.0
126.04031	1.4
127.00748	0.9
127.80486	1.1
131.01903	3.3
132.05128	1.7
133.03462	3.3
134.99648	2.5
137.02942	74.5
138.03040	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
55.30589	0.3
56.05030	1.5
56.96550	1.2
58.06594	1.0
59.06120	36.3
60.04522	9.2
61.02936	2.0
62.06078	0.4
65.03937	10.8
69.71120	1.7
69.71542	0.7
69.71691	0.2
71.39044	0.3
72.04525	0.6
72.06876	0.3
72.08132	0.7
73.04843	0.3
74.06075	6.1
75.05602	2.1
76.04004	0.5
76.07639	0.5
77.03524	0.8
78.01134	0.4
79.05484	1.6
84.04517	0.4
85.07671	1.1
86.06066	0.5
87.05585	7.2
91.05473	100.0
92.05000	9.2
92.05809	3.7
92.57272	0.3
93.04517	0.4
93.07016	0.4
95.04965	0.4
96.05305	0.3
98.21519	0.3
101.07119	1.6
102.05527	0.7
102.09199	0.6
103.05450	1.2
104.06222	0.4
116.53468	0.4
117.06988	1.9
119.04935	30.0
119.06019	2.0
119.08612	11.9
120.04459	8.3
120.05543	4.3
120.08087	1.5
120.08854	0.4
121.03944	0.5
139.79729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.35009	0.4
55.05504	0.5
56.05025	1.8
56.96554	0.7
57.29066	0.4
58.02941	0.5
58.06594	0.8
59.06119	27.6
60.04517	7.5
61.02921	1.9
62.06073	0.6
65.03937	9.7
71.00723	1.0
72.08160	0.7
74.06072	4.0
75.05585	1.4
76.03992	0.4
77.03508	1.3
79.05486	1.2
84.04500	0.8
85.07664	1.0
86.06074	0.4
87.05577	5.6
91.05472	100.0
92.04984	0.9
92.05801	3.5
93.04512	0.6
93.07037	0.6
95.04964	0.9
96.05216	0.5
101.07122	1.8
102.05548	0.6
103.05480	1.2
104.06284	0.8
105.02624	0.7
111.27867	0.4
117.07018	1.6
119.04933	35.8
119.06033	1.3
119.08600	11.5
120.04460	1.0
120.05518	3.5
120.08103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03922	2.1
59.06119	15.8
60.04499	2.3
60.50559	0.7
61.02893	0.8
65.03925	2.2
72.08202	0.7
74.06056	2.5
77.03479	1.0
78.04688	0.8
78.77025	0.9
79.05492	6.3
81.82871	0.7
86.44128	0.7
87.05582	2.8
90.87769	0.8
91.05470	66.3
92.04949	0.7
92.05807	1.8
93.07035	4.4
95.04957	2.9
97.78113	0.7
98.21017	5.4
103.05430	6.2
104.06234	7.0
109.06510	0.8
115.05428	3.3
117.07000	14.9
119.04909	1.2
119.06149	1.7
119.08564	100.0
120.05556	1.4
120.08884	3.9
121.06432	1.3
134.09750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
54.03460	3.6
55.01853	10.6
55.05503	9.3
56.05019	9.1
56.96563	77.8
57.03425	9.1
58.06598	5.0
58.99845	4.9
59.00382	2.7
59.05015	3.4
59.06113	10.1
59.52160	4.0
59.99939	3.5
60.04521	39.7
60.06441	8.8
60.95850	26.2
60.99598	4.6
61.02929	4.1
61.04852	5.5
61.16933	3.0
65.03939	21.3
65.89931	3.0
67.05477	11.8
68.05006	9.0
69.03420	63.1
70.03755	11.5
70.06609	7.3
70.07001	8.7
71.02918	5.4
71.04971	3.6
72.04510	21.2
73.05277	9.2
74.06065	19.7
74.97607	3.3
77.00886	9.7
77.02985	17.2
78.52962	3.8
79.02985	7.4
79.05488	22.8
80.03468	4.0
80.05006	2.8
80.52674	6.6
81.02861	2.9
81.03380	6.6
81.04515	4.8
81.07050	4.1
81.53468	2.9
82.01420	3.3
82.51588	4.2
83.01501	4.1
83.02975	4.1
83.03439	3.5
83.04980	4.5
84.01177	4.1
84.04481	7.0
84.51354	4.8
85.51975	3.8
85.53704	6.2
86.03468	6.7
86.52682	9.9
87.53476	5.8
88.03525	4.5
88.53307	5.8
91.05472	39.5
92.01355	3.4
92.05015	19.2
92.05793	40.1
93.04507	11.8
93.07035	47.8
94.03545	5.9
94.06590	3.1
94.53343	4.0
94.54244	4.8
95.01921	4.2
95.04958	16.0
95.06062	6.9
95.08598	3.7
96.02068	3.2
96.53027	5.3
96.53554	4.4
97.02890	9.7
97.54281	5.8
97.99186	6.2
98.01268	4.4
98.03497	4.8
99.04506	4.0
100.02470	77.8
100.54245	6.4
101.02539	35.6
102.00954	6.7
102.02225	78.0
102.05511	5.1
103.00639	3.7
103.02421	8.1
103.05441	6.1
103.53705	6.2
105.02110	5.1
105.07040	15.4
105.54018	8.1
106.02668	27.7
106.04140	5.3
106.54798	10.7
108.52992	3.5
111.04421	15.1
115.01136	5.3
115.02435	3.7
115.54766	3.9
116.00182	6.5
116.98592	4.7
117.03960	7.1
117.05644	7.7
117.53465	15.8
118.03506	100.0
119.01921	15.5
119.03617	44.9
119.04926	7.2
120.02000	86.2
120.03255	92.9
120.04462	20.7
120.05564	89.0
120.06374	4.2
120.08051	10.0
120.08894	12.5
120.97897	4.2
121.01649	55.8
121.02796	6.9
121.03474	3.7
121.03991	9.7
121.06477	29.2
121.07619	5.0
121.10132	17.7
123.03220	6.8
123.04031	5.1
125.03764	4.2
131.01898	5.9
133.03464	14.2
133.04390	3.1
134.03587	4.8
134.99632	13.2
135.03189	4.2
135.04990	6.8
136.04520	5.2
137.02948	9.7
138.03058	70.2
138.04201	6.4
138.98917	10.7
139.01672	4.5
139.02682	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	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11068	0.4
53.03931	0.8
56.11734	0.4
58.90379	0.4
60.04518	1.0
67.72572	0.4
71.00739	0.9
77.03956	0.5
79.05469	0.7
87.94301	0.4
91.05473	4.8
92.04960	0.4
93.07030	11.2
94.06545	0.7
95.04958	2.6
103.05453	48.0
104.05783	1.7
118.06534	0.8
119.07307	0.8
120.05614	1.4
120.08089	100.0
121.08462	3.2
132.14038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31033	0.9
51.41544	0.9
53.03942	4.6
54.03460	7.9
55.05507	1.7
65.03928	2.2
67.05495	2.9
68.05003	1.9
70.06576	1.3
71.19286	2.1
79.05482	31.8
80.05812	1.0
81.03436	1.3
81.04530	18.1
82.05312	17.9
91.05475	15.8
93.07040	26.2
94.06542	1.9
95.04968	13.8
95.06079	6.6
103.05451	14.6
105.04504	3.4
105.07019	91.3
106.06607	1.2
106.07243	1.7
106.07920	5.1
107.04946	19.9
107.07327	15.0
119.08569	11.7
121.02869	1.9
121.03969	1.5
121.06505	21.8
121.07540	1.8
121.10126	69.1
122.06110	3.6
122.07147	100.0
122.09650	28.3
122.10474	3.2
123.08062	18.4
133.07593	5.1
138.16982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02356	0.6
51.45220	0.5
53.03939	5.0
54.03464	8.0
55.01853	0.7
55.05505	1.8
56.53956	0.5
65.03925	2.2
67.02982	1.1
67.05494	2.2
68.05013	2.8
69.84590	2.2
70.06569	1.9
77.03906	1.1
78.04681	0.9
79.05483	19.8
80.05022	1.0
80.05820	0.7
81.03418	1.2
81.04529	20.5
81.05779	1.3
82.04830	1.2
82.05310	23.0
91.05465	16.5
91.05994	1.2
92.05802	0.9
93.04543	0.6
93.07033	27.4
94.04164	0.6
94.06558	3.1
94.07341	1.5
95.04961	12.8
95.06069	10.1
103.05457	13.7
105.03378	0.7
105.04513	5.1
105.07015	57.6
106.06532	1.6
106.07899	3.1
107.04816	1.3
107.07322	30.7
119.08578	6.6
120.05559	1.5
120.08113	0.8
121.02837	2.1
121.03976	1.3
121.06480	19.6
121.07610	3.2
121.08857	0.8
121.09132	0.7
121.10124	36.4
122.06118	3.1
122.07136	100.0
122.09642	56.6
122.10342	2.1
123.08045	10.4
133.07611	3.3
138.06718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.31033	0.9
51.41544	0.9
53.03942	4.6
54.03460	7.9
55.05507	1.7
65.03928	2.2
67.05495	2.9
68.05003	1.9
70.06576	1.3
71.19286	2.1
79.05482	31.8
80.05812	1.0
81.03436	1.3
81.04530	18.1
82.05312	17.9
91.05475	15.8
93.07040	26.2
94.06542	1.9
95.04968	13.8
95.06079	6.6
103.05451	14.6
105.04504	3.4
105.07019	91.3
106.06607	1.2
106.07243	1.7
106.07920	5.1
107.04946	19.9
107.07327	15.0
119.08569	11.7
121.02869	1.9
121.03969	1.5
121.06505	21.8
121.07540	1.8
121.10126	69.1
122.06110	3.6
122.07147	100.0
122.09650	28.3
122.10474	3.2
123.08062	18.4
133.07593	5.1
138.16982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	0.9
53.03934	7.8
54.03464	9.2
54.18246	0.8
55.01875	0.8
55.05505	7.5
60.27905	0.8
61.15717	0.8
65.03919	2.7
67.02979	0.9
67.05485	2.8
68.05024	4.5
70.06559	1.1
71.18688	2.3
77.03908	1.4
78.59985	0.8
79.05482	42.3
80.04994	1.6
80.05820	1.0
80.06261	1.3
80.51812	0.7
81.04533	21.2
81.05011	1.2
81.05798	1.9
81.07031	3.6
82.04833	1.6
82.05310	26.8
89.76394	0.7
89.87148	0.7
91.05468	33.8
92.03484	1.0
92.05793	1.1
93.07032	96.5
94.06559	4.3
94.07360	2.9
95.04961	21.4
95.06070	17.1
96.05279	1.4
103.05449	13.7
105.04511	6.8
105.07016	67.8
106.06556	1.8
106.07864	5.1
107.04865	1.0
107.07323	23.8
119.08555	9.5
120.05552	1.6
121.02859	3.1
121.04044	1.5
121.05038	1.0
121.06506	11.5
121.07585	4.3
121.10127	62.5
122.06097	3.9
122.07137	100.0
122.09645	43.7
122.10456	3.9
123.08054	9.9
133.07578	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99851	0.9
70.82605	1.8
77.00893	0.8
82.01434	10.7
83.01498	0.7
100.02470	100.0
101.00838	3.2
101.02528	5.7
118.03506	89.4
119.01907	38.6
119.03596	5.1
123.04028	3.1
136.04555	1.1
137.02940	22.0
141.05089	2.1
142.03482	3.3
144.71870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
56.96518	1.1
57.03426	1.4
58.99846	2.3
69.03415	1.3
69.75813	4.4
69.76218	3.5
73.02895	2.5
77.00880	1.6
80.05002	1.2
81.03373	1.1
82.01437	8.5
85.02921	1.4
88.02675	1.3
89.40952	1.1
100.02476	100.0
101.00874	3.2
101.02570	5.6
118.03513	96.3
119.01910	26.8
119.03597	5.8
123.04057	2.8
123.05548	3.4
124.03915	2.4
130.57758	1.2
131.01883	1.5
133.03438	1.4
137.02942	17.1
141.05089	3.2
142.03505	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42578	0.5
55.01835	0.5
56.96561	4.1
58.99857	1.6
66.90949	0.6
68.05015	0.5
69.62023	4.0
72.28191	0.5
77.00907	1.7
77.57703	0.5
79.05479	0.7
80.05003	2.4
81.03442	0.8
81.04537	0.9
82.01434	11.4
83.06084	1.6
95.01334	1.2
95.04948	2.9
96.04495	0.6
97.02886	0.6
97.07629	0.8
98.21528	0.7
100.02474	100.0
101.00858	7.4
101.02545	6.3
109.02900	0.8
111.02898	0.5
118.03513	86.3
119.01910	76.6
119.03606	6.1
123.04075	2.7
123.05529	6.5
123.06413	0.9
124.03943	2.3
124.08717	1.5
132.05049	0.7
133.03358	0.5
136.04524	1.5
137.02943	47.2
141.05034	2.6
142.03488	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	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01567	0.6
51.02368	2.4
53.03940	4.5
54.03448	3.0
55.01854	1.8
55.05498	1.1
56.04802	0.7
56.05029	6.6
56.96559	0.7
58.06587	1.2
62.63615	0.7
65.03937	1.1
67.05170	0.7
67.05494	11.0
68.05019	4.5
69.04540	1.9
70.06569	2.7
70.96648	1.1
75.21007	0.7
77.03921	6.4
79.05479	3.9
80.05010	13.2
81.04535	10.0
81.07044	13.5
82.01419	1.1
82.05309	1.2
82.06561	1.1
83.05682	1.1
83.06091	19.2
84.06876	0.7
88.02361	0.7
94.44935	0.7
95.04955	35.9
95.06039	2.5
95.08571	5.8
96.04473	7.2
96.05067	0.9
96.08112	0.9
97.07639	9.3
100.02467	21.6
101.02581	1.0
105.03372	9.3
105.04491	2.1
106.07343	1.5
107.06057	10.6
107.22832	0.7
108.05706	0.9
108.07645	3.4
112.03949	2.4
118.03506	21.3
119.01891	3.3
119.03641	1.1
123.04404	100.0
123.05511	32.9
123.07410	4.1
123.08053	6.7
123.09147	3.7
123.09902	5.9
123.11671	4.2
124.03916	12.1
124.04806	3.3
124.07731	1.5
124.08694	20.8
135.38972	0.7
137.02934	3.3
140.03358	1.5
141.05017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	1.3
53.01751	0.9
53.03937	4.7
54.03464	3.0
55.01869	1.2
55.05508	4.2
55.62618	1.3
56.05033	8.2
56.62426	1.1
57.07077	2.3
60.35100	1.0
65.03973	1.0
67.04256	1.2
67.05500	27.8
68.05027	6.6
68.05835	1.4
69.04562	2.1
69.07044	1.6
70.06577	3.2
70.41946	0.9
70.73673	2.9
79.01862	1.1
79.05490	17.0
80.05017	19.5
80.05811	1.7
80.06265	1.6
81.03449	1.5
81.04539	10.9
81.07054	49.5
82.01446	1.6
82.05328	1.7
82.07373	1.2
83.06095	20.6
91.05490	1.8
93.07023	4.9
95.01338	2.9
95.04964	37.5
95.06039	1.8
95.08602	46.3
96.04494	10.0
96.08944	2.5
97.07653	11.8
100.02477	29.0
101.02583	2.3
103.05476	2.0
105.03398	1.3
105.04489	1.1
105.07026	12.6
106.07375	3.1
107.04955	6.5
107.06074	11.3
108.05734	42.2
108.07648	7.2
112.03945	4.8
118.03514	30.1
119.01927	3.7
119.03621	2.8
121.06499	8.6
123.04461	15.7
123.05573	49.6
123.08088	100.0
123.09940	10.9
123.11685	15.5
124.03950	27.7
124.04891	1.8
124.05933	1.8
124.07655	2.0
124.08710	31.0
137.03009	3.2
140.03458	4.3
141.05107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02374	0.9
53.03943	5.9
54.03469	3.2
54.14747	0.9
55.02998	1.1
55.05505	16.8
56.05033	9.3
56.96564	1.3
57.07067	2.5
58.06591	2.4
65.03946	3.3
67.02954	1.0
67.04257	1.4
67.05498	77.9
67.32619	0.9
68.05017	5.9
68.05824	1.7
69.03424	2.2
69.04544	2.4
70.06059	0.8
70.06588	3.9
71.12510	1.9
77.66156	0.8
79.05492	11.1
80.05006	19.2
80.06282	1.1
81.03445	1.7
81.04533	12.4
81.07047	31.1
82.01435	3.1
82.05315	2.3
82.06570	2.3
83.05650	1.9
83.06093	19.8
88.02381	1.9
89.25422	0.9
91.05494	3.4
93.07043	16.5
95.04959	34.4
95.05547	1.9
95.06081	1.8
95.08594	100.0
96.04489	9.1
96.06422	1.1
96.08162	1.9
96.08932	3.6
97.07646	12.8
100.02476	26.4
101.02576	1.6
105.04542	1.5
105.07027	6.9
106.02929	1.0
106.06570	1.3
106.07360	3.6
107.04954	1.9
107.06073	12.4
108.05734	13.7
108.07022	1.4
108.07653	7.2
112.03957	4.7
118.03508	27.6
119.01933	4.2
119.03654	2.8
121.06510	1.9
123.04453	15.4
123.05568	42.1
123.06635	1.8
123.08083	59.8
123.09110	2.1
123.09940	10.0
123.11682	10.2
124.03947	25.3
124.04798	2.2
124.05875	1.1
124.07595	4.8
124.08707	26.4
125.07117	1.1
135.94598	0.9
137.02982	3.0
139.74371	0.9
140.03423	3.5
141.05052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10998	0.4
53.03945	2.9
54.03448	0.7
55.01863	2.3
55.05508	18.6
55.68756	0.5
56.05032	6.1
56.05848	0.5
57.03443	2.2
58.05320	0.4
58.06335	0.6
58.06598	7.3
59.06120	29.2
61.05424	0.5
64.85116	0.4
65.03940	0.8
67.01897	0.5
67.02970	0.7
67.04238	0.7
67.05491	1.5
67.93549	0.5
68.05025	35.8
68.67278	0.5
69.03419	3.9
69.04528	0.9
69.05323	0.4
69.05796	0.8
69.07059	0.9
70.02923	0.7
70.06583	9.3
70.73590	0.8
71.04989	2.6
79.05482	5.7
80.05014	1.7
80.05767	0.5
81.03413	11.1
81.04507	2.3
81.07053	22.8
82.06574	8.5
82.07344	0.6
83.04964	0.8
83.06104	3.9
83.07845	0.5
83.08611	7.9
84.04499	2.1
84.08144	2.5
85.02898	0.5
85.06551	0.5
85.07665	9.4
86.06039	0.7
86.08443	12.5
91.05478	1.8
93.05782	1.7
96.04470	2.1
96.08113	1.5
97.05270	11.8
97.07621	1.1
98.05487	0.8
98.06057	9.1
98.07116	0.8
98.09689	7.9
99.04451	1.4
99.05576	1.1
99.09217	1.7
108.04481	2.6
108.08110	12.9
108.08847	0.6
109.02876	17.2
109.04016	1.2
109.06500	21.2
109.07627	18.5
109.08408	0.9
109.10152	0.7
110.06079	0.7
110.06846	1.1
111.06794	0.7
111.53680	0.4
119.99862	0.5
121.01645	0.8
126.05575	3.0
126.06626	1.8
126.09143	100.0
126.10241	28.0
127.03908	45.1
127.08627	0.8
127.09473	3.0
127.11319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Octylamine
Peak:m/z	Relative Intensity
55.03003	0.7
55.05498	1.3
56.05015	2.9
56.96564	0.7
57.03406	0.8
57.07069	44.6
57.41971	0.7
58.07407	0.8
59.06117	3.4
67.05502	0.8
68.77438	0.7
69.03066	1.2
69.03421	20.7
69.07067	3.4
69.68816	5.2
70.06586	4.5
71.04979	1.0
71.06097	0.8
72.04498	2.9
72.08148	11.6
74.09709	34.4
75.10032	1.1
80.39011	0.6
83.02477	0.9
84.04504	4.3
84.08134	15.5
85.04016	0.8
85.07664	6.2
86.06052	0.9
87.09222	4.8
87.90221	0.7
88.07633	0.9
91.05480	5.0
96.08154	0.7
103.05481	5.3
112.07596	65.5
113.07113	7.9
113.07916	2.8
113.10690	1.0
115.05515	0.9
129.06947	1.0
130.06526	12.3
130.07407	1.0
130.07611	1.2
130.08635	20.3
130.09718	1.9
130.15901	100.0
131.04910	1.9
131.08551	6.7
131.16273	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93961	0.2
52.14294	0.3
53.03949	1.9
53.25426	0.3
56.05021	0.8
56.96572	0.3
57.03434	0.4
58.06590	0.5
59.06118	1.0
60.04524	0.5
61.66693	0.3
68.05028	0.3
69.03436	0.6
69.48960	1.3
69.49382	0.9
70.03732	0.6
70.06587	0.5
71.04980	0.3
71.06108	0.4
72.04501	1.0
72.08150	0.8
77.03901	0.5
81.03384	0.3
83.06091	0.5
84.04486	0.4
84.08109	0.2
85.08456	0.8
85.49302	0.2
86.06052	1.1
86.09673	0.5
87.05595	0.8
88.07581	0.3
91.05471	9.1
95.04951	5.6
96.04518	0.3
98.04819	0.4
98.08445	0.3
98.35471	0.2
101.07107	0.4
102.04651	0.8
103.05454	100.0
104.05784	4.0
105.04506	1.1
113.07155	1.3
113.07930	4.0
114.05522	0.4
115.05441	0.6
116.06229	2.5
129.06938	1.5
131.04913	15.8
131.06934	0.6
131.08537	11.6
131.16315	0.4
132.05286	0.9
132.06537	0.6
132.08923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06609	0.3
51.02371	0.5
53.03940	2.0
55.05511	0.3
56.01387	0.2
56.05035	1.6
56.96545	0.4
57.03424	0.4
57.04542	0.4
58.06585	0.8
59.06113	1.2
60.04516	1.0
60.90898	0.2
67.66640	0.2
68.05012	0.4
68.95272	0.3
69.00710	0.2
69.03421	0.5
69.04549	0.3
70.03749	0.9
70.06595	0.4
70.09608	0.8
71.06093	0.4
72.04517	1.4
72.08143	1.7
73.08466	0.4
74.06060	0.3
74.19054	0.2
77.03927	0.3
80.22924	0.3
83.02461	0.5
83.06097	0.6
84.04498	0.8
84.39283	0.2
85.02895	0.4
85.03974	0.3
85.04828	0.3
85.07684	0.4
85.08460	0.7
86.06075	1.2
86.09682	0.6
87.05582	0.7
88.07615	0.3
89.07139	0.4
90.05521	0.3
91.05471	2.7
95.04961	5.5
95.05932	0.2
97.07666	0.4
98.04794	0.8
98.20807	0.4
101.07171	0.3
102.04678	0.8
103.05459	100.0
104.05792	4.8
105.04523	0.7
113.07124	2.7
113.07941	4.6
114.05524	0.3
114.07471	0.3
114.09196	0.3
116.06223	0.6
129.07022	0.6
131.04922	15.3
131.05891	0.6
131.06894	1.5
131.08496	2.6
131.11827	0.3
132.04396	0.3
132.05307	0.8
132.06581	0.9
144.08089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03399	0.2
51.02378	0.4
53.03941	1.7
56.05029	1.0
56.96553	0.3
57.03440	0.4
57.21968	0.2
58.06577	0.5
59.06115	1.1
60.04519	0.7
64.98079	0.2
68.05034	0.2
69.03411	0.4
70.01385	1.1
70.03761	0.7
70.06587	0.4
72.04502	0.6
72.08151	1.1
74.06065	0.3
77.03922	0.4
83.02489	0.4
83.06085	0.6
84.04494	0.3
85.04007	0.3
85.08461	0.6
86.06068	0.9
86.09665	0.4
87.05597	0.6
89.07159	0.3
91.05477	3.7
95.04958	4.7
96.05327	0.3
98.04780	0.5
102.04677	1.0
103.05459	100.0
104.05784	4.2
105.04497	1.0
113.02364	0.3
113.07113	1.2
113.07937	2.7
115.05437	0.3
116.06268	1.4
129.06999	0.5
131.04915	15.8
131.06898	0.6
131.08534	5.7
132.04407	0.5
132.05290	0.7
132.06523	0.5
132.08072	0.3
132.09001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
50.34752	0.2
51.02378	0.5
51.19328	0.2
52.41291	0.2
53.03938	2.7
55.01862	0.5
56.01344	0.3
56.05025	0.7
56.96555	0.5
57.03420	1.2
57.04550	0.9
58.02958	0.6
58.05339	1.5
58.06581	0.9
59.06112	0.8
60.04511	0.4
67.11817	0.2
69.03420	0.9
69.07053	0.4
69.84046	0.9
69.84463	0.8
70.06573	0.5
71.04980	0.5
71.06080	0.4
72.04510	0.9
72.08144	1.2
73.04030	0.3
74.06070	1.0
75.05599	1.3
77.03919	0.6
79.05470	0.6
79.24801	0.2
81.03404	0.4
84.04503	0.6
85.04015	1.3
86.06056	1.0
86.09686	1.3
87.05556	2.1
88.02202	0.3
88.07599	0.4
89.07137	0.6
89.10816	0.4
90.90357	0.7
91.05491	1.4
92.05791	0.4
93.07042	0.4
95.04958	5.9
96.04471	1.2
97.02908	0.3
98.21458	0.6
101.20656	0.3
104.04977	49.5
105.03391	1.5
105.04520	1.2
105.05315	1.7
105.07017	6.2
114.05511	0.6
115.05001	0.3
115.08639	0.5
131.08521	0.2
132.04433	100.0
132.08910	1.0
133.02859	0.8
133.04788	4.7
133.06464	3.2
133.07492	0.4
133.10141	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	132.0443
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01580	0.3
50.34752	0.2
51.02378	0.5
51.19328	0.2
52.41291	0.2
53.03938	2.7
55.01862	0.5
56.01344	0.3
56.05025	0.7
56.96555	0.5
57.03420	1.2
57.04550	0.9
58.02958	0.6
58.05339	1.5
58.06581	0.9
59.06112	0.8
60.04511	0.4
67.11817	0.2
69.03420	0.9
69.07053	0.4
69.84046	0.9
69.84463	0.8
70.06573	0.5
71.04980	0.5
71.06080	0.4
72.04510	0.9
72.08144	1.2
73.04030	0.3
74.06070	1.0
75.05599	1.3
77.03919	0.6
79.05470	0.6
79.24801	0.2
81.03404	0.4
84.04503	0.6
85.04015	1.3
86.06056	1.0
86.09686	1.3
87.05556	2.1
88.02202	0.3
88.07599	0.4
89.07137	0.6
89.10816	0.4
90.90357	0.7
91.05491	1.4
92.05791	0.4
93.07042	0.4
95.04958	5.9
96.04471	1.2
97.02908	0.3
98.21458	0.6
101.20656	0.3
104.04977	49.5
105.03391	1.5
105.04520	1.2
105.05315	1.7
105.07017	6.2
114.05511	0.6
115.05001	0.3
115.08639	0.5
131.08521	0.2
132.04433	100.0
132.08910	1.0
133.02859	0.8
133.04788	4.7
133.06464	3.2
133.07492	0.4
133.10141	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.05023	0.3
56.14817	0.2
56.96560	4.5
57.03422	0.4
58.06586	0.4
61.02874	0.3
69.03418	0.6
69.07065	3.5
70.06569	0.5
70.15264	1.1
72.04468	0.3
72.08133	0.6
73.02911	0.2
73.06571	0.3
74.06097	0.5
75.05587	0.4
79.28271	0.2
85.02897	0.3
86.09697	100.0
86.52673	0.3
87.05598	0.3
87.10018	2.9
88.07629	0.5
89.00770	0.9
96.01552	0.4
97.02891	0.6
97.99172	0.6
98.01304	1.1
98.97575	0.5
99.04463	0.6
100.02461	0.5
105.07031	0.3
110.01304	0.4
112.59773	0.3
114.05551	0.3
115.05016	0.3
115.08646	0.3
116.00229	0.2
118.01048	0.5
118.03502	0.5
119.01852	1.0
127.01546	0.3
127.03840	0.3
132.08073	0.5
132.10231	1.6
133.09720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01658	0.8
55.01871	10.9
55.05500	3.1
56.05030	2.9
56.96561	100.0
57.03433	21.3
58.03764	1.1
58.06583	3.5
58.96139	1.2
58.99592	1.5
58.99858	3.5
59.04981	3.1
59.06105	0.8
59.52179	3.5
60.02197	0.9
60.04511	2.7
60.95849	5.1
61.01146	11.0
61.02923	3.9
64.83338	0.7
66.52960	1.4
67.01848	1.8
67.05510	1.1
68.02634	1.3
68.52695	2.4
69.03423	18.1
69.07067	4.4
70.06588	4.2
70.07394	13.4
70.98111	1.1
70.99739	0.8
71.01344	2.5
71.02978	1.9
71.04990	9.9
71.06117	0.8
71.62223	1.4
71.95237	1.2
72.04482	1.1
72.08147	2.3
72.52957	2.9
72.93793	1.2
73.02913	12.1
74.02920	0.9
74.06081	9.8
74.06889	0.8
74.97596	2.3
75.01031	1.9
75.02699	1.6
75.04479	1.2
75.05582	2.7
75.53473	1.1
76.07656	1.1
77.00883	3.1
78.52950	3.1
79.05477	3.2
80.00262	1.1
80.02930	2.4
81.03411	13.8
81.07027	1.5
82.01416	1.4
82.02670	5.1
82.03732	1.1
83.00813	1.7
83.01335	2.8
83.03461	1.0
83.04955	1.0
84.01543	4.7
84.52959	1.2
84.53940	0.8
84.96022	1.4
85.00425	1.3
85.01408	1.5
85.02896	14.9
85.53695	0.9
86.03222	2.0
86.06056	2.2
86.09699	20.2
86.51828	1.9
86.52674	7.2
87.02684	16.9
87.04480	2.2
87.09443	4.9
87.10024	84.3
88.02311	0.7
88.02689	6.3
88.07611	2.8
88.99138	0.8
89.00768	15.3
89.03450	3.8
90.01526	1.1
91.00499	1.1
91.02308	2.0
91.03200	2.0
91.05472	2.2
92.01274	1.9
92.07105	2.6
93.01929	2.2
93.53473	2.5
94.02670	1.4
94.52418	1.2
95.01298	2.6
95.01912	1.7
95.03434	3.4
95.04955	1.0
95.52332	3.2
95.53213	3.3
96.01532	5.7
96.02443	1.2
96.51254	1.0
97.02869	35.2
97.99172	6.2
98.01281	18.1
98.03167	2.2
98.06023	2.0
98.51434	1.0
98.97562	6.0
99.02045	1.3
99.04446	13.2
99.53465	1.9
100.02467	16.2
100.04772	1.2
100.51563	1.6
100.52416	7.2
100.54195	0.9
101.00851	6.3
101.01468	1.2
101.02486	3.0
101.03454	2.3
101.53177	1.6
102.02393	4.4
102.53066	0.9
102.96841	2.0
103.00497	2.5
103.02433	30.0
103.03133	2.0
104.02537	3.3
104.52762	1.4
105.02111	5.6
105.07015	5.5
106.01000	1.4
106.06541	3.4
106.52322	1.0
107.01814	2.4
107.52313	0.9
107.53199	2.1
109.00475	0.9
109.02843	7.0
109.52068	3.3
109.52962	5.4
110.01272	12.0
110.03184	1.0
110.51453	1.1
110.52687	0.8
110.97557	1.2
111.02127	1.4
111.02906	7.6
112.01023	2.4
112.02191	1.0
113.01765	1.7
113.53239	1.0
114.04004	1.4
115.02383	1.8
115.03197	1.1
115.08666	2.7
115.52085	1.2
116.00191	5.4
116.07090	3.0
116.10747	2.4
116.52811	1.2
116.98633	5.4
116.99329	0.9
118.01046	2.4
118.03500	15.8
118.51302	0.9
119.00157	3.0
119.01881	53.8
119.02631	1.9
119.03637	3.3
119.52016	1.5
120.01975	2.0
120.03359	2.0
120.97936	1.1
121.01552	1.5
121.03473	51.4
122.03615	6.8
122.53733	1.8
123.03236	4.6
123.04018	1.5
123.07973	1.3
124.02454	1.9
124.03705	1.0
126.04019	1.1
127.03910	7.0
128.02280	2.2
128.97807	2.5
128.98621	1.9
130.01982	0.9
130.53456	1.9
131.01883	11.4
132.05070	1.4
133.01686	1.5
133.03334	9.9
133.04222	12.8
133.06508	1.8
133.07597	2.2
133.09642	7.4
133.11551	0.8
133.54329	4.3
134.01273	1.7
134.06033	6.1
134.08096	1.3
134.11746	4.0
134.99619	4.6
135.99968	0.9
136.02353	0.9
137.01183	2.8
137.02936	17.8
137.98322	4.8
138.01628	0.8
138.98872	1.2
139.04559	1.4
140.98607	2.2
142.03496	19.4
142.04707	2.7
144.05017	2.4
144.55028	1.2
145.03432	7.7
145.05101	1.4
146.03542	1.0
146.99651	4.4
147.05000	1.1
149.01167	1.6
149.02968	3.3
150.96881	2.0
151.04559	3.8
154.03470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.77515	0.5
51.02370	0.6
53.03933	2.2
55.01852	3.2
55.05499	3.3
56.05029	1.0
56.96550	1.7
57.03415	0.7
57.04536	1.1
57.58464	0.5
57.85707	0.5
58.02931	0.6
58.05338	7.1
58.06600	1.3
59.04989	0.6
59.06111	2.2
60.04522	0.9
61.04021	0.5
65.03914	0.8
66.04708	1.0
67.05485	1.3
69.00159	0.5
69.03417	1.0
69.52969	4.1
70.06595	1.7
71.04972	0.6
72.04509	1.3
74.02425	0.9
74.06067	4.1
75.05602	5.5
77.03915	1.2
79.05049	0.9
79.05482	12.2
82.58411	0.6
85.04021	5.2
86.04802	0.9
86.06060	1.1
87.05586	3.0
88.02188	1.5
88.07628	1.4
89.03886	0.6
90.04706	1.5
91.05473	19.9
92.05801	0.7
93.04511	0.7
93.07034	3.4
95.04951	3.9
97.02898	0.9
98.06049	0.8
98.20802	1.1
103.05461	8.8
104.04968	2.2
105.03401	2.6
105.07015	100.0
106.06542	6.2
106.07350	4.1
107.06055	1.3
107.08559	1.4
115.05516	5.3
115.08736	0.8
116.07090	2.3
117.06991	4.0
118.04149	8.7
118.07793	4.0
131.04971	0.8
131.08542	6.6
133.02878	2.7
133.05244	7.8
133.06474	72.0
133.07483	2.6
133.10120	69.2
134.05992	13.6
134.06970	4.8
134.09587	0.8
134.10454	2.9
140.39899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05495	1.5
58.05329	0.8
58.11728	0.4
60.35328	0.5
63.87062	0.4
69.48639	3.5
77.03931	0.5
79.05491	5.6
85.03999	0.5
85.70158	0.4
88.02194	0.5
88.71970	0.4
91.05473	17.1
92.05814	0.6
93.07037	4.0
95.04958	1.5
98.20755	0.9
103.05452	3.2
105.03375	0.6
105.07025	50.6
106.06654	0.4
106.07322	2.3
107.08562	1.4
115.05485	3.7
116.06245	0.8
116.06996	0.4
117.07016	4.6
118.07797	6.7
131.08559	6.1
133.02826	1.4
133.06549	4.4
133.10121	100.0
134.06020	1.3
134.07027	0.8
134.10471	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.80951	0.4
53.03929	0.8
55.05491	1.6
67.05494	0.8
69.39864	0.4
70.06561	0.5
70.88946	1.3
77.03934	0.4
79.05486	5.7
81.42094	0.4
87.05598	0.4
88.02194	0.7
91.05469	18.4
92.05803	0.5
93.07024	3.3
95.04952	1.7
103.05450	2.8
105.03417	0.5
105.07017	50.9
106.06636	0.4
106.07343	1.8
107.06030	0.4
107.08571	1.0
115.05441	4.6
116.06225	0.6
117.07009	5.5
118.07802	6.8
119.08110	0.5
129.06973	0.4
131.08554	6.1
132.94966	0.4
133.02809	1.0
133.06538	3.5
133.10112	100.0
134.06073	0.8
134.07063	0.8
134.09521	0.6
134.10452	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	0.9
55.05502	2.3
58.05330	0.5
58.06597	0.5
60.00485	0.4
61.97058	0.4
64.40939	0.3
67.05491	0.5
71.62217	0.5
71.62531	0.5
79.05493	4.9
91.05474	16.1
92.05792	0.5
93.07031	4.1
95.04957	1.3
97.79105	0.3
103.05467	2.7
105.07024	46.3
106.07320	2.0
107.08572	1.2
109.01968	0.4
115.05447	5.6
116.06233	0.7
117.06997	5.4
118.07802	5.8
131.08557	5.7
133.06523	3.0
133.10121	100.0
134.10446	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02362	0.2
53.03942	0.5
55.05509	1.6
65.03941	0.5
67.05496	0.6
70.90810	0.6
76.54765	0.2
79.05489	4.4
88.02254	0.2
91.05472	12.7
92.05769	0.3
92.06284	0.3
93.07037	4.2
95.04962	1.0
103.05454	2.3
105.07020	38.5
106.07346	1.7
107.08582	1.0
115.05447	3.7
116.06269	0.5
117.07001	5.8
118.07796	5.6
119.08165	0.3
129.07018	0.5
131.08554	4.9
133.10115	100.0
134.10449	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05490	1.3
70.57378	1.2
72.07838	0.4
74.27806	0.4
79.05476	2.9
87.09573	0.4
87.54697	0.4
91.05468	11.1
92.05811	0.5
93.07022	3.6
95.04972	0.8
95.42326	0.3
102.10178	0.4
103.05460	1.9
105.07018	36.2
106.07348	1.5
107.08590	0.8
109.31030	0.3
115.05439	3.8
116.06236	0.7
117.07005	5.1
118.07792	5.9
129.07037	0.4
131.08563	4.3
133.10112	100.0
134.10448	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03941	1.0
53.08492	0.5
53.87465	0.6
55.01885	0.7
55.05506	4.1
65.03931	0.7
67.05491	1.5
70.87886	1.3
70.88265	1.1
73.84998	0.5
76.85947	0.6
79.05480	7.1
87.05564	0.7
88.02205	0.6
88.04009	0.6
91.05471	29.4
92.05769	1.0
93.07041	7.4
95.04956	1.9
103.04875	0.7
103.05455	3.8
105.03365	1.2
105.07019	100.0
106.06687	0.8
106.07350	4.2
107.08582	1.3
108.42245	0.6
115.05435	4.6
115.06111	0.7
117.06995	5.3
118.07799	6.2
129.06946	0.7
131.08556	10.9
132.08940	0.7
133.02864	1.3
133.06491	5.6
133.10115	75.1
134.05998	1.3
134.07103	1.3
134.10486	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05505	2.7
58.05317	0.4
65.03928	0.4
65.89677	0.4
67.05475	0.5
71.21368	1.3
77.03916	0.8
78.62045	0.4
79.05476	6.0
91.05473	22.4
91.56578	0.4
92.05791	0.5
93.07031	5.7
95.04954	1.8
103.05452	2.0
105.07022	64.5
106.07327	2.3
107.08545	0.9
115.05447	4.8
116.06246	1.1
117.07018	5.7
118.07793	6.5
129.06960	0.5
131.08556	8.3
133.06529	2.7
133.10118	100.0
134.10439	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32820	0.3
53.03933	1.0
55.05507	1.8
58.05343	0.5
67.05480	0.7
69.27448	3.8
77.03920	0.4
79.05477	4.3
87.05604	0.4
91.05469	13.3
92.05780	0.5
93.07033	3.5
95.04964	0.8
97.77887	0.3
98.21339	1.3
103.05468	3.0
105.07018	45.2
106.07330	2.2
107.08585	1.1
115.05458	4.8
115.32336	0.4
116.06224	0.5
117.07007	4.4
118.07800	5.4
129.06984	0.7
131.08551	6.0
132.08987	0.3
133.02756	0.4
133.06552	2.3
133.10112	100.0
134.10449	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
53.65659	0.4
55.05507	2.1
58.05328	0.4
58.89649	0.5
62.16911	0.4
65.03947	0.5
69.77287	2.9
74.38522	0.5
79.05486	4.1
88.02174	0.5
91.05474	16.0
92.05795	0.7
93.07039	4.5
95.04967	2.0
97.02899	0.5
103.05488	2.7
105.03407	0.7
105.07021	51.2
106.06657	0.6
106.07353	2.6
107.08621	0.8
114.57833	0.5
115.05441	4.2
116.06233	1.0
117.07025	5.1
118.07785	5.6
131.08569	6.5
133.02773	0.5
133.06480	3.1
133.07573	2.3
133.10118	100.0
134.05975	1.3
134.07054	0.9
134.10448	5.1
134.45331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05503	3.2
58.05333	1.4
59.04993	0.4
67.05518	0.4
69.74190	2.8
74.02432	0.5
75.05619	0.7
75.75103	0.4
79.05482	6.1
79.30695	0.4
85.04012	0.9
87.05563	0.4
88.02209	0.6
91.05471	21.4
92.05816	1.1
93.07032	5.3
95.04949	1.7
95.16729	0.4
103.05468	3.7
105.07018	64.4
106.07327	2.4
107.08578	1.4
114.06293	0.4
115.05465	4.5
116.06304	0.7
116.07070	0.7
117.06994	6.1
118.07790	7.2
130.52391	0.4
131.08551	7.3
133.06491	8.7
133.10115	100.0
134.05977	0.5
134.07004	1.1
134.10439	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03930	0.7
55.01840	0.3
55.05497	2.1
55.84761	0.3
58.05315	0.6
60.37460	0.3
67.05499	0.5
71.16151	0.7
77.03885	0.3
79.05485	4.7
79.54063	0.3
85.04021	0.6
88.02200	0.3
91.05467	18.5
92.05795	0.9
92.06298	0.3
93.07039	4.4
95.04948	1.3
97.95698	0.3
103.05473	2.2
105.03358	0.5
105.07017	52.2
106.06544	1.1
106.07348	2.1
107.08569	1.0
115.05445	4.8
116.06176	0.9
117.07007	5.2
118.07791	6.4
129.07004	0.5
131.08549	7.2
133.02809	0.5
133.05174	1.1
133.06461	2.2
133.10112	100.0
134.05989	3.3
134.07097	0.8
134.09599	0.5
134.10458	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	8.7
55.05496	2.9
56.05028	4.8
56.96560	47.1
57.03431	48.8
58.03752	2.1
58.06586	8.9
58.99855	3.9
59.04985	3.4
59.52180	2.0
60.04495	0.9
60.95835	1.8
61.02906	2.4
62.06097	1.1
65.52180	1.6
67.02161	1.2
67.05496	1.0
68.02633	2.6
68.05008	1.3
68.52709	1.0
69.03420	11.4
70.06577	6.2
70.99854	0.8
71.01338	2.2
71.04986	6.0
71.59637	1.2
72.04530	1.3
72.08150	4.0
72.52966	2.1
73.02909	47.9
73.08512	0.8
74.02434	23.7
74.03275	0.9
74.06074	8.6
74.97605	2.0
75.01028	1.6
75.01894	1.1
75.04482	0.9
76.07632	7.9
77.00906	5.7
77.52144	1.0
78.52945	5.1
79.02132	2.2
79.05486	3.0
79.51918	0.9
80.52697	2.7
81.01907	0.9
81.03404	7.8
81.53475	1.7
81.99972	2.4
82.01421	2.4
82.02685	1.6
82.03741	1.0
82.99821	1.1
83.04953	1.2
84.04478	1.4
84.52962	2.6
84.96037	1.4
85.02900	11.9
85.51926	2.0
85.53719	4.1
86.06064	6.2
86.51847	2.0
86.52685	16.6
86.99342	1.9
87.01891	1.9
87.02734	1.8
87.52556	1.4
87.53471	3.1
88.02136	1.5
88.02672	25.3
88.03474	1.0
88.03981	14.4
88.07620	7.3
88.52750	3.2
89.00808	3.8
89.02538	1.1
89.03889	3.8
90.03731	1.1
90.09179	3.5
90.52931	1.7
91.00509	15.1
91.05458	1.5
92.52691	3.2
93.01878	10.7
93.07023	1.1
93.51895	1.3
93.53461	7.4
94.01732	0.8
94.03536	1.8
94.54239	2.2
94.99825	1.1
95.01940	2.4
95.04953	1.5
95.53203	9.7
96.02445	1.5
96.03249	1.7
97.02845	2.4
97.03205	3.3
97.99164	1.6
98.01279	5.6
98.03474	1.1
98.06037	5.5
98.52663	4.8
98.97572	2.6
99.04421	2.7
99.08089	0.9
99.53442	7.2
100.01034	11.3
100.02463	26.9
100.03537	1.9
100.52416	1.9
100.54263	1.1
101.00865	18.4
101.02572	3.1
101.52242	0.9
101.53231	1.6
102.00963	1.6
102.02401	25.2
102.09179	2.4
102.51285	2.7
102.52459	5.2
103.00512	2.4
103.02359	2.8
104.52682	2.2
105.00375	2.0
105.02107	1.0
105.02794	0.8
105.06990	1.0
106.06562	1.5
107.00169	0.9
107.01808	3.4
107.04016	0.9
107.04935	2.5
107.08556	1.7
107.53197	2.0
108.03247	1.0
108.53958	4.1
109.02878	3.5
109.52978	0.9
110.53742	1.1
111.02148	1.6
111.02920	25.9
111.04218	1.2
111.51792	1.3
111.52929	4.5
112.01020	8.4
112.02806	2.2
112.03764	0.8
113.00864	2.0
113.02383	2.0
113.53193	7.1
114.03259	1.4
114.53105	1.0
115.02390	3.8
116.00222	1.4
116.03403	1.0
116.07070	2.9
116.10722	2.3
116.98595	2.3
117.03339	1.4
118.01103	2.0
118.03510	24.4
119.01906	82.9
119.03624	3.6
120.01952	10.3
120.03347	6.7
120.53535	1.6
121.01552	19.4
121.03419	1.8
122.03498	0.9
122.53714	11.1
123.03940	1.3
124.02437	10.3
125.02568	1.4
127.03905	1.8
128.01955	1.9
128.98605	1.7
129.03979	1.2
131.01897	23.2
131.54218	3.9
132.01999	3.4
132.05116	1.0
132.52298	2.6
133.01613	2.0
133.03416	4.1
134.04497	2.0
134.06013	3.9
134.07082	1.7
134.08121	3.2
134.11749	28.4
134.99664	3.2
135.04402	8.1
135.05423	1.1
136.04575	0.9
137.02945	20.7
137.98341	0.8
138.03026	3.8
139.02635	1.3
141.02708	1.4
141.05075	1.2
142.03485	100.0
143.01884	2.2
143.03590	12.4
144.03192	5.8
144.05013	1.6
144.98109	1.3
145.03412	3.8
146.99666	4.0
147.01398	2.4
147.05034	1.4
149.01219	1.0
149.02933	7.8
154.03477	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.1
56.96558	24.3
57.03436	52.5
69.03423	9.1
70.24698	22.3
70.25121	17.6
73.02905	53.8
74.02444	11.7
80.52696	9.0
81.03390	9.7
82.33365	7.4
85.02882	17.3
86.52676	15.3
87.03574	7.3
88.02673	33.0
88.52769	7.6
95.53214	16.6
96.27297	6.9
98.20706	7.9
99.53458	11.2
100.02521	37.2
101.00865	17.6
102.02395	29.8
111.02924	16.4
113.53231	8.0
118.03503	28.5
119.01904	100.0
120.02023	10.9
120.03345	8.2
121.01581	10.6
124.02448	9.1
131.01907	24.1
135.04251	7.1
137.02962	30.5
142.03496	93.2
143.03621	19.1
145.03464	9.5
149.02931	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	8.7
55.05496	2.9
56.05028	4.8
56.96560	47.1
57.03431	48.8
58.03752	2.1
58.06586	8.9
58.99855	3.9
59.04985	3.4
59.52180	2.0
60.04495	0.9
60.95835	1.8
61.02906	2.4
62.06097	1.1
65.52180	1.6
67.02161	1.2
67.05496	1.0
68.02633	2.6
68.05008	1.3
68.52709	1.0
69.03420	11.4
70.06577	6.2
70.99854	0.8
71.01338	2.2
71.04986	6.0
71.59637	1.2
72.04530	1.3
72.08150	4.0
72.52966	2.1
73.02909	47.9
73.08512	0.8
74.02434	23.7
74.03275	0.9
74.06074	8.6
74.97605	2.0
75.01028	1.6
75.01894	1.1
75.04482	0.9
76.07632	7.9
77.00906	5.7
77.52144	1.0
78.52945	5.1
79.02132	2.2
79.05486	3.0
79.51918	0.9
80.52697	2.7
81.01907	0.9
81.03404	7.8
81.53475	1.7
81.99972	2.4
82.01421	2.4
82.02685	1.6
82.03741	1.0
82.99821	1.1
83.04953	1.2
84.04478	1.4
84.52962	2.6
84.96037	1.4
85.02900	11.9
85.51926	2.0
85.53719	4.1
86.06064	6.2
86.51847	2.0
86.52685	16.6
86.99342	1.9
87.01891	1.9
87.02734	1.8
87.52556	1.4
87.53471	3.1
88.02136	1.5
88.02672	25.3
88.03474	1.0
88.03981	14.4
88.07620	7.3
88.52750	3.2
89.00808	3.8
89.02538	1.1
89.03889	3.8
90.03731	1.1
90.09179	3.5
90.52931	1.7
91.00509	15.1
91.05458	1.5
92.52691	3.2
93.01878	10.7
93.07023	1.1
93.51895	1.3
93.53461	7.4
94.01732	0.8
94.03536	1.8
94.54239	2.2
94.99825	1.1
95.01940	2.4
95.04953	1.5
95.53203	9.7
96.02445	1.5
96.03249	1.7
97.02845	2.4
97.03205	3.3
97.99164	1.6
98.01279	5.6
98.03474	1.1
98.06037	5.5
98.52663	4.8
98.97572	2.6
99.04421	2.7
99.08089	0.9
99.53442	7.2
100.01034	11.3
100.02463	26.9
100.03537	1.9
100.52416	1.9
100.54263	1.1
101.00865	18.4
101.02572	3.1
101.52242	0.9
101.53231	1.6
102.00963	1.6
102.02401	25.2
102.09179	2.4
102.51285	2.7
102.52459	5.2
103.00512	2.4
103.02359	2.8
104.52682	2.2
105.00375	2.0
105.02107	1.0
105.02794	0.8
105.06990	1.0
106.06562	1.5
107.00169	0.9
107.01808	3.4
107.04016	0.9
107.04935	2.5
107.08556	1.7
107.53197	2.0
108.03247	1.0
108.53958	4.1
109.02878	3.5
109.52978	0.9
110.53742	1.1
111.02148	1.6
111.02920	25.9
111.04218	1.2
111.51792	1.3
111.52929	4.5
112.01020	8.4
112.02806	2.2
112.03764	0.8
113.00864	2.0
113.02383	2.0
113.53193	7.1
114.03259	1.4
114.53105	1.0
115.02390	3.8
116.00222	1.4
116.03403	1.0
116.07070	2.9
116.10722	2.3
116.98595	2.3
117.03339	1.4
118.01103	2.0
118.03510	24.4
119.01906	82.9
119.03624	3.6
120.01952	10.3
120.03347	6.7
120.53535	1.6
121.01552	19.4
121.03419	1.8
122.03498	0.9
122.53714	11.1
123.03940	1.3
124.02437	10.3
125.02568	1.4
127.03905	1.8
128.01955	1.9
128.98605	1.7
129.03979	1.2
131.01897	23.2
131.54218	3.9
132.01999	3.4
132.05116	1.0
132.52298	2.6
133.01613	2.0
133.03416	4.1
134.04497	2.0
134.06013	3.9
134.07082	1.7
134.08121	3.2
134.11749	28.4
134.99664	3.2
135.04402	8.1
135.05423	1.1
136.04575	0.9
137.02945	20.7
137.98341	0.8
138.03026	3.8
139.02635	1.3
141.02708	1.4
141.05075	1.2
142.03485	100.0
143.01884	2.2
143.03590	12.4
144.03192	5.8
144.05013	1.6
144.98109	1.3
145.03412	3.8
146.99666	4.0
147.01398	2.4
147.05034	1.4
149.01219	1.0
149.02933	7.8
154.03477	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	134.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01889	5.7
55.05504	7.5
56.96558	33.2
57.03428	20.9
58.03769	4.6
58.99857	5.4
59.06112	9.1
60.04510	12.8
67.05479	5.4
68.05019	12.3
69.03419	8.9
69.80786	10.0
69.81202	23.1
71.04975	5.6
73.02917	8.4
75.05612	24.1
76.04012	7.6
78.52917	5.7
79.05492	29.3
87.02760	11.0
87.05582	67.7
88.78634	4.9
91.05459	26.9
93.07049	15.7
95.04966	7.4
98.97572	28.1
100.02455	27.2
101.02536	13.5
102.02252	13.3
105.07001	10.3
107.04964	8.8
107.08569	25.8
109.07626	10.5
110.52675	6.4
115.12958	4.7
116.98610	36.3
118.03512	18.0
119.01932	19.4
119.03606	4.9
119.08530	6.6
120.02036	11.6
120.03341	8.8
121.01613	29.9
124.52409	8.1
129.76851	6.1
130.03610	5.4
131.01897	44.4
133.52888	8.3
134.99622	26.3
135.04382	17.4
135.08046	11.7
135.09103	6.1
135.11678	9.8
136.02156	100.0
136.07674	5.1
136.08676	13.8
137.03084	5.7
137.28561	5.1
142.03545	10.9
142.53412	5.8
143.03662	15.0
144.03261	9.8
149.03014	11.0
150.03059	4.8
154.03548	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	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03948	1.9
55.01657	1.0
55.01868	12.8
58.94723	1.1
61.51048	1.2
65.03928	6.1
67.05499	6.8
67.62735	1.2
68.05018	2.4
69.03416	14.4
70.49578	4.8
79.05486	44.6
81.07052	1.2
91.05473	75.9
92.05788	2.8
92.06292	1.5
93.05810	1.3
93.07028	17.7
93.75520	1.1
95.04961	10.5
98.20982	2.3
105.07023	27.9
106.07358	1.5
107.04934	5.8
107.08586	72.0
107.71999	1.1
108.08914	3.5
109.01088	3.5
109.06511	17.6
115.05453	21.0
117.07016	25.9
119.06060	4.3
119.08588	3.4
120.05674	2.4
132.08122	1.2
135.04408	4.7
135.08041	60.9
135.11638	8.2
136.02151	100.0
136.03871	3.4
136.06157	19.8
136.07491	2.6
136.08456	3.2
150.47000	1.2
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
52.95691	1.0
53.03932	3.8
55.01852	1.5
55.05505	7.9
67.05226	0.9
67.05502	10.0
69.03392	1.0
69.07059	5.1
69.29186	10.6
79.05485	34.0
80.05805	1.4
81.07043	10.0
84.84155	1.0
90.51198	0.9
91.05462	22.7
92.05753	1.2
93.07033	65.1
94.07362	1.9
95.04964	9.2
105.04501	1.1
105.07020	5.2
107.04945	2.1
107.08587	36.4
109.01081	4.5
109.06498	2.2
113.27553	1.2
115.05488	1.2
119.08562	1.4
125.87187	0.9
133.10091	1.0
135.04419	3.8
135.06578	1.4
135.08061	7.6
135.11676	39.0
136.02148	100.0
136.06166	16.3
136.07541	4.0
136.11996	1.3
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
52.75382	0.8
53.03927	2.8
55.05506	5.8
57.07032	1.0
65.03921	1.7
67.05492	2.0
68.05008	2.7
69.07054	3.0
70.67345	1.6
70.67751	1.8
79.05483	21.9
80.05829	1.2
81.07051	1.7
87.05567	1.4
89.03900	0.9
91.05469	44.2
92.05804	1.2
93.07031	45.4
94.07338	1.4
95.04958	7.8
95.06032	1.3
95.08592	1.2
96.06866	2.0
98.21068	1.5
105.07015	23.6
106.07819	1.9
107.04922	1.9
107.08582	100.0
108.08931	4.7
109.01098	1.3
109.06512	11.2
109.07645	2.5
115.05444	1.7
117.07008	3.4
119.03548	1.1
119.06042	3.0
119.08563	19.9
120.09397	6.5
124.05267	0.9
133.10138	1.4
135.04402	3.3
135.05449	1.2
135.08047	9.9
135.11671	37.9
136.02141	14.1
136.06152	2.5
136.07510	2.1
136.08658	2.9
136.12001	2.7
137.09599	1.4
147.09152	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49108	0.1
55.02958	0.2
56.96561	0.8
57.03427	0.7
58.99850	0.2
64.15316	0.1
64.22875	0.1
67.01880	0.1
67.02985	0.3
69.03410	0.2
69.65459	0.9
70.46602	0.1
71.04985	0.3
77.00874	0.3
78.52983	0.2
83.00770	0.4
87.53468	0.2
90.01520	0.2
91.05470	0.6
92.01269	0.3
92.02501	0.3
94.04062	2.1
95.03480	0.2
98.01296	0.2
99.02045	0.3
100.02454	1.1
101.00858	0.7
101.02573	0.2
102.02260	0.2
103.40931	0.2
104.01265	0.4
109.05122	0.4
112.05090	0.4
113.00863	0.5
113.01736	0.3
114.04031	0.3
116.98602	0.2
118.01148	0.2
118.03526	1.2
119.01136	0.1
119.01908	3.4
119.03532	4.9
119.04838	0.2
120.02013	0.5
121.01644	0.5
122.02275	0.3
129.56082	0.2
131.01894	4.4
132.01921	0.3
132.05051	0.4
133.03465	0.4
134.99652	0.2
136.06171	100.0
137.03032	0.7
137.04582	5.4
137.05707	0.5
137.06487	2.1
138.03009	0.1
139.02701	0.1
142.03522	0.3
144.03172	0.3
145.03555	0.2
149.02953	1.4
154.03529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
52.93188	0.2
54.30603	0.2
54.89666	0.1
56.37748	0.2
56.96545	0.3
61.53530	0.2
67.02970	0.2
70.09760	1.0
92.02476	0.3
94.04043	2.9
100.02474	0.2
109.05112	0.4
112.05070	0.4
113.49698	0.2
119.01876	0.2
119.03542	8.0
131.01855	0.3
136.06174	100.0
137.04582	6.6
137.06610	1.9
139.60187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.3
51.10707	0.3
53.03943	0.6
53.55059	0.3
65.03929	0.8
66.04710	3.2
67.05500	0.8
77.03925	0.6
79.05482	3.2
81.07047	2.1
91.05470	2.8
93.07062	0.3
93.14245	0.2
94.04179	27.2
95.04502	0.9
95.04980	1.0
95.08627	0.4
98.20590	0.4
98.29649	0.2
107.04954	1.5
109.06487	0.6
116.02380	0.2
118.38403	0.2
122.03635	46.7
123.03977	1.8
135.04443	0.4
137.05962	100.0
138.05333	0.5
138.06302	4.8
143.98338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03934	0.6
55.01862	0.8
57.46501	0.3
58.86795	0.3
65.03925	0.6
66.04713	3.0
67.05478	0.4
67.14625	0.3
69.03384	0.3
76.00107	0.3
79.05477	3.1
81.07037	1.5
91.05474	2.6
94.04174	25.9
95.04960	1.0
105.03374	0.4
107.04936	1.2
109.06473	0.6
122.03632	45.7
122.91472	0.3
123.03970	1.9
133.67007	0.3
135.04369	0.4
137.05956	100.0
138.06285	4.3
145.95924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.4
53.03927	0.8
53.33704	0.2
53.57871	0.2
54.03463	0.6
55.01862	0.6
55.05499	0.5
56.05027	0.5
57.05564	0.2
57.07078	0.2
65.03930	1.1
66.04716	3.1
67.01866	0.2
67.05499	3.5
68.05016	0.6
69.03426	0.3
69.04537	1.0
69.07052	0.3
70.02930	0.3
70.77021	0.9
72.04504	1.0
77.03915	0.4
79.05485	3.8
80.05029	0.4
81.03409	0.8
81.04533	1.8
81.07046	3.8
82.06580	0.7
83.06098	0.9
91.05473	4.6
91.06013	0.5
93.07037	1.5
94.04180	24.1
94.06566	0.4
95.04441	0.6
95.04617	0.4
95.05002	2.0
95.06086	0.6
95.08591	2.3
96.04478	0.3
96.05605	0.9
96.06863	0.4
97.03997	0.3
97.06396	3.1
97.07668	0.7
98.04785	0.3
98.20927	0.3
105.03387	0.5
105.04543	0.4
107.04942	1.8
107.08513	0.3
109.02875	0.3
109.06525	2.4
109.07618	0.4
109.10155	1.8
110.06051	0.4
110.07167	3.2
111.05557	1.1
119.04946	0.3
119.08575	0.4
120.04459	1.1
120.05550	0.7
121.06615	0.3
121.07630	0.7
122.03638	44.2
122.07266	1.7
123.03960	2.1
135.04393	0.6
137.02484	2.5
137.05965	100.0
137.09560	2.6
138.01750	0.5
138.05421	0.8
138.06409	5.2
138.09132	0.9
138.10249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.67932	0.3
53.03946	0.9
55.01871	0.6
57.40223	0.3
57.75379	0.3
60.14370	0.3
62.17576	0.3
64.03681	0.3
65.03937	0.9
65.20775	0.3
66.04716	2.9
67.05496	2.1
67.33768	0.2
68.05030	0.6
69.07063	0.3
72.04508	0.8
74.55264	0.3
77.03899	0.5
79.05486	3.7
81.03409	0.4
81.04550	0.9
81.06578	0.3
81.07048	4.0
82.06595	0.3
83.06084	0.3
91.05476	4.0
93.07042	1.1
94.04175	27.1
95.04469	0.8
95.04971	1.5
95.06111	0.4
95.08601	1.9
96.05621	0.3
97.06381	1.5
97.07668	0.4
98.04803	0.3
107.04944	1.7
109.06507	1.5
109.10120	1.6
110.06010	0.5
110.07170	1.5
111.05562	0.8
111.13187	0.3
118.50230	0.3
119.04950	0.3
119.08556	1.1
120.05615	0.3
121.06461	0.3
122.03632	45.1
122.07252	3.6
123.03964	2.1
135.04367	0.4
137.02431	1.2
137.05959	100.0
137.09576	4.8
138.01718	0.4
138.05444	0.5
138.06328	5.1
138.10187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.03467	1.4
55.01852	0.8
55.05495	2.0
56.03773	0.9
56.05011	0.7
57.07039	0.8
60.58556	0.5
65.03922	2.0
66.04720	1.4
67.05501	20.9
68.05013	2.4
69.03415	1.5
69.04537	2.3
69.05356	1.0
69.07060	2.3
72.04494	1.7
79.05484	6.4
81.03409	1.1
81.04109	0.6
81.04536	3.7
81.07050	15.5
82.06571	2.0
83.06085	1.9
91.05481	12.4
93.07044	8.4
94.04183	13.5
94.06551	1.4
94.07806	0.8
95.04456	0.7
95.04976	5.1
95.06060	1.3
95.08598	17.9
96.05655	1.7
96.08894	0.8
97.03993	0.7
97.06395	7.6
97.07671	1.3
98.04774	2.3
106.46092	0.7
107.04939	12.4
107.08591	1.0
109.06488	5.4
109.07652	0.8
109.10146	29.3
110.05995	2.0
110.07183	7.1
110.10518	1.4
111.05561	3.1
117.07018	1.6
119.04930	1.1
119.08561	10.1
120.04475	0.8
120.05608	0.6
121.06483	7.1
121.07428	0.8
122.03641	22.7
122.07275	61.1
123.04001	0.8
123.07637	2.4
135.08037	3.0
137.02509	5.8
137.04861	1.3
137.05968	56.3
137.08272	4.8
137.09602	100.0
137.13225	2.6
138.01738	1.8
138.05475	4.0
138.06560	6.0
138.09055	1.4
138.10040	5.8
145.58971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03934	2.6
55.01865	2.7
55.05495	5.5
65.03915	1.6
66.17560	1.2
67.05499	52.2
68.04996	1.4
68.05808	1.4
69.03404	3.5
69.07052	2.9
70.87589	1.8
70.87942	3.8
71.90922	1.1
79.05490	7.0
79.05877	1.3
81.03414	3.0
81.04556	1.8
81.07049	19.9
83.04981	3.0
91.05479	24.2
93.07027	8.1
94.04164	5.3
95.04973	13.1
95.08601	7.7
96.05730	1.3
97.06388	2.5
105.07050	1.3
107.04961	12.3
107.08580	3.9
108.05739	2.1
109.05770	2.5
109.06509	47.2
109.10146	51.3
110.07044	1.7
110.10484	1.9
117.07035	2.7
119.06064	1.7
119.08566	13.3
121.06503	5.8
122.03634	4.9
122.07272	62.5
123.07647	2.4
135.08043	2.2
137.02495	2.2
137.05984	11.7
137.09602	100.0
138.09979	4.2
140.82285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03941	1.2
55.01852	0.5
55.05493	1.3
59.80095	0.4
64.21576	0.4
65.03919	0.5
67.05495	16.7
68.05818	0.6
69.03413	0.7
69.07051	0.8
69.50681	0.8
69.51088	3.0
77.75294	0.4
77.92734	0.4
79.05493	2.2
81.07046	5.6
91.05469	7.5
93.07044	2.7
94.04173	3.2
94.07812	1.2
95.04964	2.5
95.08590	5.0
97.06396	0.9
103.05435	1.1
104.06239	0.5
105.04507	0.6
107.04933	12.3
107.08587	1.1
109.06490	1.0
109.10139	29.4
110.07135	0.9
110.10484	1.0
117.07011	1.0
119.08564	12.8
120.08857	0.7
121.06491	5.3
122.03645	5.2
122.07269	69.8
123.07587	2.2
124.10314	0.5
135.08060	3.2
137.02419	1.3
137.05978	11.3
137.09596	100.0
138.06442	1.1
138.09921	3.9
139.07516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05656	0.9
53.03933	3.4
54.03456	1.2
55.01857	2.8
55.05497	6.2
58.73108	0.7
65.03921	2.5
67.05496	48.4
68.05013	1.1
68.05811	1.1
69.03418	3.8
69.04536	2.2
69.07045	2.3
69.73113	5.7
70.06579	0.9
70.22216	0.8
72.04505	1.3
72.37889	0.8
76.09416	0.8
79.05494	6.5
81.03395	3.3
81.04529	5.3
81.06568	1.4
81.07047	22.8
82.06584	1.9
83.04947	2.1
83.06084	2.2
91.05472	21.8
93.07027	9.2
94.04171	9.0
94.06561	1.2
94.07825	0.8
95.04963	12.3
95.06110	1.9
95.08586	13.0
96.05621	2.2
96.06290	0.8
97.06384	7.3
97.07676	1.2
98.04839	2.1
98.21471	1.2
107.04940	13.1
107.08603	4.9
108.05731	2.2
109.06503	45.1
109.10142	41.9
110.06031	0.8
110.07099	5.5
110.10506	1.6
111.05569	2.0
117.07013	1.5
119.06059	2.1
119.08566	13.3
120.04462	0.8
120.05555	1.6
121.06511	4.4
121.07561	0.8
122.03632	11.7
122.07270	51.5
123.03896	0.8
123.07581	1.6
135.08022	2.6
137.02434	4.8
137.05969	27.5
137.08269	5.4
137.09598	100.0
138.01724	1.7
138.05453	2.2
138.06563	6.4
138.09076	1.1
138.10068	4.6
144.78253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.05491	0.9
63.07749	0.5
65.03908	0.7
67.05498	20.3
69.03426	1.1
69.07062	0.7
70.76303	1.1
75.14443	0.5
79.05479	2.5
81.07046	6.3
82.06602	0.6
91.05466	10.2
92.05807	0.6
93.07033	3.6
94.04177	4.5
94.07824	0.9
95.04927	2.7
95.08595	5.4
97.06387	1.5
103.05472	0.6
107.04945	14.3
107.08585	1.5
109.06510	2.0
109.10145	30.0
110.07167	0.9
110.10464	1.5
117.07041	1.8
119.08562	13.4
120.08956	0.7
121.06487	7.4
122.03646	7.8
122.07272	72.3
123.07568	2.9
135.08070	3.8
136.08867	0.5
137.02385	1.1
137.05981	16.1
137.09598	100.0
138.06502	0.8
138.09912	5.4
141.36659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85178	0.8
52.54329	0.8
53.03955	1.0
53.48884	0.8
55.05497	4.2
57.07069	10.4
60.51733	0.8
66.71044	0.8
67.05500	23.8
69.07065	7.3
69.98855	2.3
69.99252	1.4
79.05483	8.0
79.65346	0.7
81.07048	77.3
82.07379	3.2
91.05457	2.1
93.07036	6.3
94.04159	0.8
95.04970	2.4
95.08595	100.0
96.08942	4.1
98.05528	0.9
109.10143	6.2
111.86234	0.7
120.04576	0.9
133.18188	0.8
137.02446	2.0
137.05984	3.0
137.09605	3.4
137.13245	19.3
138.01662	1.0
138.05510	0.9
138.13594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.85178	0.8
52.54329	0.8
53.03955	1.0
53.48884	0.8
55.05497	4.2
57.07069	10.4
60.51733	0.8
66.71044	0.8
67.05500	23.8
69.07065	7.3
69.98855	2.3
69.99252	1.4
79.05483	8.0
79.65346	0.7
81.07048	77.3
82.07379	3.2
91.05457	2.1
93.07036	6.3
94.04159	0.8
95.04970	2.4
95.08595	100.0
96.08942	4.1
98.05528	0.9
109.10143	6.2
111.86234	0.7
120.04576	0.9
133.18188	0.8
137.02446	2.0
137.05984	3.0
137.09605	3.4
137.13245	19.3
138.01662	1.0
138.05510	0.9
138.13594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.03445	0.6
55.01619	0.3
55.01867	3.7
55.05506	1.8
56.05019	1.2
56.96558	13.2
57.04546	0.4
59.04994	0.4
59.06114	0.6
59.21016	0.3
64.27774	0.3
65.03931	6.0
67.01847	1.4
67.05506	2.1
68.99777	4.6
69.03412	2.2
69.07050	0.6
69.58422	2.9
70.06570	0.5
71.01334	0.8
71.06097	0.6
74.97558	0.3
79.05469	0.6
81.04533	0.8
81.76436	0.3
82.02930	0.5
82.84031	0.3
83.04974	4.7
83.06084	0.6
87.99540	0.3
91.05463	0.4
93.03404	3.7
93.07012	1.0
95.04963	0.6
95.06075	0.4
95.08616	0.4
96.05612	0.6
97.02883	1.9
97.06493	1.4
98.07169	4.7
98.97573	5.3
98.98472	1.7
99.05562	1.1
107.22639	0.4
111.04429	23.4
112.03998	0.4
112.04787	0.9
113.07145	0.5
113.94062	0.3
116.97249	0.8
116.98602	6.6
117.75073	0.3
121.02855	0.8
121.06480	0.7
121.10087	0.4
122.07162	2.3
123.05546	1.9
134.99646	7.2
135.00656	0.7
136.98578	0.3
139.03882	100.0
139.09775	0.9
139.11197	1.1
140.00244	0.3
140.03406	0.5
140.04256	4.2
140.08156	2.9
141.06592	0.6
153.00690	2.2
158.01302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03941	0.6
53.06811	0.5
54.03464	1.2
55.01870	4.6
55.05507	2.8
56.05016	1.8
56.96557	7.0
58.02981	0.6
59.06103	0.7
60.50153	0.5
65.03933	11.1
67.01859	2.6
67.05490	5.4
68.99784	8.2
69.03412	2.1
69.91927	3.4
70.06574	0.9
71.01319	1.0
71.95235	0.8
81.04523	0.9
83.04977	5.9
83.06080	1.6
84.04448	0.7
93.03402	8.7
94.50988	0.5
95.04974	2.6
95.06096	0.8
96.05618	1.0
97.02867	1.7
97.06438	1.2
97.07626	0.7
98.07163	2.1
98.97565	6.4
98.98444	1.0
99.00813	0.6
99.05560	1.7
105.04452	0.5
108.24489	0.6
110.11584	0.5
111.04433	23.8
112.04731	0.7
112.08714	0.6
113.07108	0.8
115.03939	0.7
116.98612	8.8
121.02864	1.4
122.07135	2.2
123.05533	1.8
134.99648	8.5
135.75229	0.5
139.03888	100.0
139.09750	1.3
139.11259	0.7
140.04248	4.5
140.08182	3.5
153.00685	1.6
158.77750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03935	1.9
53.42758	0.4
54.03452	1.8
55.01868	4.7
55.05504	2.4
56.05030	4.6
56.96565	15.4
57.04553	0.7
57.93551	0.5
58.02956	0.6
58.06593	0.6
59.06109	1.8
63.18049	0.5
64.39635	0.4
65.03938	9.9
67.01861	2.6
67.05506	4.7
68.05013	1.4
68.99786	7.0
69.03432	3.3
69.07063	0.7
70.06581	1.4
70.99870	1.2
71.01340	1.3
71.06108	1.6
71.95233	0.5
72.04510	0.6
72.08160	0.5
79.05480	0.7
80.45711	0.4
81.04524	2.3
82.02919	0.8
83.04980	6.5
83.06091	3.5
84.04510	1.9
84.06406	0.4
85.07657	0.6
91.05407	0.6
93.03402	7.0
93.07043	2.2
94.06537	0.7
95.04964	2.1
95.06085	3.0
95.08609	0.8
96.05622	3.4
97.02852	2.3
97.06483	2.3
97.07635	1.4
98.07175	7.9
98.97575	10.0
98.98467	2.3
99.05570	3.5
111.04436	29.4
111.08031	0.5
111.09200	0.6
112.04045	0.5
112.04802	1.0
112.08704	1.1
113.07121	2.3
116.97260	0.9
116.98619	13.8
121.02866	1.8
121.04005	0.5
121.06516	0.7
122.07134	4.3
123.05560	4.8
123.09182	0.6
134.99652	15.0
139.03894	100.0
139.07526	1.9
139.08681	0.9
139.09760	6.9
139.11136	1.8
139.12167	0.6
140.00188	0.9
140.03294	0.6
140.04271	4.1
140.08180	11.6
141.06581	0.8
153.00716	3.6
157.86667	0.4
158.01253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03939	1.6
54.17044	0.3
55.01657	0.3
55.01871	4.0
55.05500	1.8
56.05020	0.7
56.96558	3.2
59.04980	0.5
61.98864	0.3
65.03939	8.5
67.01859	2.3
67.05499	4.6
68.99426	0.4
68.99786	6.8
69.03416	1.5
70.41441	1.4
71.01336	0.8
71.06117	0.5
79.05489	0.5
81.04535	0.7
81.37046	0.4
83.04975	6.3
83.06080	0.7
93.03400	7.6
93.07048	0.4
95.04962	1.8
95.06061	0.3
96.05599	0.5
97.02872	1.7
97.03899	0.4
97.06489	0.4
98.07162	1.5
98.97571	2.7
98.98492	0.6
111.04433	23.0
112.04779	0.9
113.07105	0.3
115.03909	0.4
116.98606	3.2
121.02876	1.1
122.07114	1.4
123.05536	1.0
134.99640	3.2
138.83015	0.3
139.03889	100.0
139.09720	0.8
140.04237	3.4
140.08156	1.8
140.86711	0.3
141.32014	0.4
153.00699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00268	0.4
53.03928	1.0
54.03450	0.5
55.01862	3.2
55.05507	1.8
56.05021	0.9
56.96558	14.3
57.93554	0.3
59.04990	0.3
59.06118	0.5
64.67826	0.3
65.03934	5.7
66.84627	0.4
67.01852	1.5
67.05492	1.0
68.04935	0.4
68.22860	0.3
68.99783	4.1
69.03423	2.0
69.07034	0.4
70.06583	0.7
70.75494	0.7
70.75841	0.4
71.01333	0.8
71.06099	0.5
71.95245	0.4
79.05474	0.8
81.04520	0.4
81.07050	0.4
83.04971	5.4
84.04481	0.6
91.05497	0.3
93.03397	3.4
93.07033	1.0
95.04958	1.0
95.06057	0.7
95.08602	0.5
96.05600	0.5
97.02868	2.2
97.06458	0.9
97.07650	0.5
97.99133	0.4
98.06052	0.3
98.07179	3.8
98.97574	6.3
98.98434	1.4
99.05574	1.0
111.04429	21.8
112.03927	0.4
112.04733	0.7
113.07151	0.4
116.97243	0.8
116.98603	7.9
121.02828	0.6
122.07173	1.9
123.05541	2.3
134.99644	9.3
139.03883	100.0
139.09785	1.1
139.11172	1.2
140.00160	0.5
140.03294	0.6
140.04263	3.3
140.07207	0.4
140.08147	2.2
141.06589	0.4
153.00693	2.5
158.01227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.03445	0.6
55.01619	0.3
55.01867	3.7
55.05506	1.8
56.05019	1.2
56.96558	13.2
57.04546	0.4
59.04994	0.4
59.06114	0.6
59.21016	0.3
64.27774	0.3
65.03931	6.0
67.01847	1.4
67.05506	2.1
68.99777	4.6
69.03412	2.2
69.07050	0.6
69.58422	2.9
70.06570	0.5
71.01334	0.8
71.06097	0.6
74.97558	0.3
79.05469	0.6
81.04533	0.8
81.76436	0.3
82.02930	0.5
82.84031	0.3
83.04974	4.7
83.06084	0.6
87.99540	0.3
91.05463	0.4
93.03404	3.7
93.07012	1.0
95.04963	0.6
95.06075	0.4
95.08616	0.4
96.05612	0.6
97.02883	1.9
97.06493	1.4
98.07169	4.7
98.97573	5.3
98.98472	1.7
99.05562	1.1
107.22639	0.4
111.04429	23.4
112.03998	0.4
112.04787	0.9
113.07145	0.5
113.94062	0.3
116.97249	0.8
116.98602	6.6
117.75073	0.3
121.02855	0.8
121.06480	0.7
121.10087	0.4
122.07162	2.3
123.05546	1.9
134.99646	7.2
135.00656	0.7
136.98578	0.3
139.03882	100.0
139.09775	0.9
139.11197	1.1
140.00244	0.3
140.03406	0.5
140.04256	4.2
140.08156	2.9
141.06592	0.6
153.00690	2.2
158.01302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03934	0.7
55.01865	3.7
55.05511	2.0
56.96288	0.8
56.96563	15.6
58.02945	0.5
59.45841	0.4
64.45097	0.4
65.03938	5.5
67.01844	1.6
67.05487	1.5
68.99784	5.1
69.03423	2.3
69.07036	0.4
69.89706	0.4
71.01357	0.8
71.13084	1.3
78.96515	0.4
79.05466	0.7
81.00117	0.4
81.04560	0.4
83.04981	5.3
86.42889	0.4
86.99426	0.4
93.03387	3.3
93.07020	0.6
95.04955	0.5
97.02900	1.9
97.06480	0.5
98.07178	2.6
98.97565	6.3
98.98445	1.0
105.91837	0.4
107.65776	0.4
111.04430	21.9
116.97259	0.7
116.98611	9.4
121.02908	0.6
121.10173	0.5
122.07137	1.4
123.05518	0.9
134.99644	9.8
139.03888	100.0
139.11133	0.7
140.03288	0.7
140.04230	4.0
140.08156	1.2
153.00710	2.0
158.01256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	36.7
59.28079	0.6
59.51635	0.7
70.84270	1.4
71.95254	4.7
98.97575	100.0
99.97942	1.2
111.04423	1.2
116.98610	99.6
117.98956	1.3
134.99643	67.2
136.00008	1.0
140.00180	1.9
153.00694	13.5
158.01311	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	1.6
56.96560	32.1
69.58362	6.4
71.95254	3.9
98.97573	85.8
105.72937	0.8
116.98607	100.0
134.99644	76.5
140.00188	2.8
147.08774	1.0
152.07993	0.8
153.00690	16.8
158.01248	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	33.3
58.81048	0.9
70.92030	2.6
71.95245	2.8
85.68176	1.0
87.83641	1.0
96.20909	0.9
98.97574	88.7
116.98610	100.0
117.98957	1.3
134.99648	75.9
140.00139	2.5
153.00693	16.3
158.01242	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72813	5.0
58.89152	4.5
69.62413	32.2
71.13396	4.7
101.00865	15.3
118.03497	6.9
119.01907	100.0
136.04555	6.4
137.02946	49.5
142.03488	45.9
160.04556	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
55.01858	2.7
56.96561	17.0
57.03433	15.3
58.99844	2.7
61.02913	3.0
68.02633	3.0
69.03435	7.8
70.78400	1.2
71.60356	2.2
71.60717	1.3
73.02912	9.6
77.00867	2.6
78.52944	2.8
79.51918	2.2
81.03410	3.7
81.04533	9.4
82.01404	2.4
84.52937	2.0
85.02887	7.4
86.03690	3.3
86.52702	1.9
87.01908	2.2
88.02673	3.8
89.00849	1.3
90.52962	1.9
92.01295	4.9
93.01896	1.6
93.53461	4.5
95.06065	5.7
96.01514	1.7
96.02403	3.1
97.02875	4.9
98.52686	1.5
98.97564	12.2
99.53459	2.6
100.02477	15.2
100.97168	1.8
100.98009	1.3
101.00867	16.4
101.53205	2.6
101.78295	1.2
102.02384	9.6
103.52052	1.5
105.02083	1.6
105.04310	1.5
108.53978	1.2
109.02868	3.7
110.01295	3.8
111.02917	5.3
111.04305	1.3
113.53197	5.7
115.02419	2.8
116.98592	10.3
118.01161	2.1
118.03501	10.9
119.01902	100.0
120.03400	1.4
122.53708	6.2
124.02434	2.9
124.11398	1.3
125.02331	2.5
125.07133	6.9
127.03853	1.7
128.02324	3.2
131.01878	6.3
131.54266	5.9
133.03459	1.9
134.99654	3.4
136.04501	1.3
137.02948	38.8
137.04008	1.9
137.99771	2.3
140.54744	3.9
141.02705	5.3
142.03488	30.7
142.08632	1.3
143.01944	3.0
143.03394	12.7
143.08157	5.2
145.03450	2.7
146.99597	1.9
149.02930	1.7
154.03482	3.9
157.03445	1.3
160.04561	10.4
161.02957	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94406	3.1
56.96551	17.9
57.03415	8.3
69.03408	4.2
73.02918	4.6
90.36855	2.7
91.26310	2.6
92.01255	2.6
92.07973	2.8
97.02876	5.3
98.97588	12.3
100.02466	5.9
101.00888	16.7
102.02354	3.1
105.02100	3.3
111.00764	2.7
113.53174	3.3
116.98645	7.7
118.03504	9.2
119.01909	100.0
120.01998	3.9
125.02309	8.3
128.02328	5.5
128.06277	3.1
134.99648	5.2
136.04527	3.2
137.02945	54.1
138.03056	3.3
142.03484	35.6
143.03409	33.4
143.08493	5.0
160.04555	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	143.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05504	4.2
56.58516	0.4
57.07083	2.4
59.04986	0.9
59.06122	0.8
60.04506	0.8
60.59452	0.4
60.95838	0.9
63.53502	0.4
67.05482	1.4
68.74198	0.5
69.03419	8.1
69.07045	0.9
70.06589	0.7
71.04984	14.6
71.63451	0.7
72.08141	0.5
73.06574	2.5
79.05482	0.8
83.04973	2.2
83.08605	1.4
84.04488	0.5
85.02895	2.2
85.06532	5.9
86.02376	0.5
97.02883	4.2
97.06530	0.9
97.09598	0.5
97.10135	2.2
98.06050	1.6
100.18570	0.4
101.07152	0.9
107.08582	4.5
111.07939	1.1
115.05411	0.6
121.00757	0.7
125.02350	8.3
125.09620	4.0
128.06210	8.0
137.02924	0.6
138.98994	0.6
139.01826	2.1
141.06917	0.9
143.03381	100.0
143.08525	4.4
143.10641	0.9
144.03738	4.0
144.06543	1.5
144.08041	0.9
144.13712	0.7
145.06558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
57.05383	0.5
58.89344	0.5
59.80040	0.5
65.03934	7.2
70.55198	1.6
88.60666	0.5
90.75752	0.5
91.05473	77.7
92.05793	2.7
94.44857	0.4
98.21392	0.7
105.07040	1.0
119.04932	100.0
120.05267	4.1
147.04395	55.8
147.11736	0.7
148.04771	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71177	0.5
57.44074	0.5
62.54186	0.5
65.03932	5.3
67.03907	0.5
70.30106	1.3
70.30497	1.0
84.04512	0.7
91.05472	73.1
92.05810	2.8
95.04929	0.7
98.21171	1.1
105.06989	0.9
119.04930	100.0
119.08559	1.2
119.29983	0.5
120.05259	3.7
123.96449	0.5
147.04395	57.7
147.11621	0.6
148.04739	2.3
156.12154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
55.56073	0.4
65.03931	6.6
71.33221	0.9
73.35230	0.5
91.05473	82.0
92.05795	2.9
95.04955	0.6
114.09901	0.4
119.04932	100.0
120.05259	4.4
128.66815	0.4
147.04396	58.0
147.11690	0.5
148.04774	2.5
167.97643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
57.03422	11.2
59.67861	4.2
70.14458	16.6
71.04974	19.0
73.02897	4.1
84.04477	15.5
85.02893	35.6
91.05470	100.0
98.21137	10.5
103.05454	7.2
105.07018	55.3
110.35800	5.0
117.06964	10.1
119.04940	58.5
119.08566	77.8
123.96414	7.9
128.87776	4.9
144.40808	4.6
147.04407	77.0
147.05467	10.5
147.08064	31.3
147.09126	7.3
147.11688	43.2
148.03877	7.3
148.08708	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	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03930	1.5
53.40322	1.0
55.05493	5.1
64.92796	2.8
65.03936	2.0
67.05501	19.5
69.07052	8.2
69.48338	4.1
69.48763	5.6
79.05489	20.8
81.07047	17.4
84.04530	1.1
91.05472	87.1
92.05789	3.9
93.07036	12.9
95.04949	3.9
98.20956	4.5
103.05451	5.0
105.07021	100.0
106.07352	4.1
117.07000	5.0
119.04919	4.4
119.08569	68.7
120.08920	3.1
123.96428	4.6
129.06998	7.7
132.09335	1.7
132.19957	1.2
145.10121	3.9
147.04384	5.3
147.05472	2.8
147.08031	16.1
147.11670	68.0
148.03978	2.0
148.08379	1.5
148.12010	3.5
154.22375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03934	1.9
55.04981	1.6
65.03940	17.9
69.03413	4.3
70.07967	8.4
77.94453	1.5
79.05493	16.0
81.07034	2.4
91.05471	38.4
92.05802	1.9
93.03378	7.2
93.07040	25.4
95.04960	5.6
98.03741	1.8
101.62412	1.4
103.05441	5.2
105.07029	29.7
106.07809	3.0
107.04899	3.5
107.08568	7.4
109.06499	4.5
109.07617	2.9
110.08400	3.2
111.04420	6.1
114.31060	1.6
115.05437	3.0
116.06223	17.2
116.73082	1.6
118.33185	1.6
119.08569	4.5
121.02849	25.4
121.03951	5.6
121.06487	16.6
121.10127	32.5
123.08089	4.0
123.09130	1.9
128.06277	2.3
129.06973	4.8
131.04933	3.9
131.08548	22.8
133.07574	2.7
134.07161	2.3
149.02325	71.3
149.06004	3.6
149.09601	100.0
149.13303	2.0
150.02628	5.5
150.05441	2.2
150.10101	8.2
164.99716	1.6
167.03287	1.8
169.03433	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.07763	0.7
51.76992	0.7
53.03921	2.0
55.01863	1.3
55.05500	2.1
56.96556	1.2
60.37505	0.7
63.94121	0.7
65.03937	28.7
66.04252	1.4
67.05493	1.9
69.03429	1.4
69.07044	2.5
71.63537	1.3
79.05489	11.5
81.07067	3.7
91.04955	1.2
91.05476	16.4
93.03397	8.2
93.07035	27.2
94.06548	1.0
95.04964	4.7
98.03677	1.5
103.05468	4.2
105.03406	0.9
105.04485	0.8
105.07023	14.6
105.31698	0.8
106.07858	1.7
107.04946	19.5
107.08585	14.8
108.04448	0.9
108.08896	0.9
109.01076	0.9
109.07604	1.2
110.08424	2.1
111.04424	7.7
116.06219	2.7
119.08573	3.0
121.02857	43.4
121.03962	8.0
121.06522	5.6
121.10138	20.4
122.03209	2.7
122.07128	2.2
122.10475	1.5
123.08046	3.3
129.06996	1.5
131.04903	2.7
131.08549	7.1
140.08139	1.1
149.02336	100.0
149.05934	5.8
149.08392	2.6
149.09604	61.0
149.13206	5.9
150.02667	8.1
150.03711	1.6
150.05511	1.9
150.10078	5.2
150.12746	1.6
163.02615	0.7
167.03409	1.3
169.03487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
55.01856	1.3
55.05495	4.2
65.03934	30.5
66.04239	1.4
67.05499	14.6
67.52000	1.3
69.03396	1.3
69.07057	8.9
69.29779	8.4
69.30199	5.3
79.05486	23.4
81.07050	36.2
82.07379	1.6
83.08592	1.5
84.20263	1.4
91.05476	11.2
93.03405	8.1
93.07036	40.9
94.66230	1.3
95.04959	4.3
95.08611	7.7
103.05447	2.6
105.03358	1.6
105.07011	5.6
107.04940	13.1
107.08579	31.4
111.04427	8.1
120.05716	2.8
121.02853	42.5
121.03955	9.7
121.06535	2.1
121.10120	10.9
122.03176	2.1
131.04872	1.6
131.08530	2.1
149.02330	100.0
149.05951	2.6
149.09598	19.7
149.13245	31.0
150.02660	6.0
150.03717	2.3
150.09993	1.7
150.13559	2.3
167.03456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.30703	1.0
51.48106	1.3
55.05490	4.1
57.07051	2.2
64.50793	1.4
65.03931	18.3
67.05468	1.2
69.07040	3.4
69.44623	9.0
69.45036	2.2
71.65083	1.1
74.26460	1.1
79.05484	11.6
79.17632	1.2
81.07057	1.8
91.05469	10.3
93.03374	4.0
93.07030	17.7
95.04926	1.8
98.21401	3.4
103.05448	3.1
105.03369	1.4
105.04490	1.3
105.07017	28.0
107.08580	35.6
108.08887	1.1
109.06493	4.9
111.04432	3.6
113.26433	1.2
114.26623	1.2
119.08569	9.0
120.09362	1.9
121.02843	24.9
121.03972	4.9
121.06477	2.8
121.10125	100.0
122.03181	1.2
122.10442	3.4
123.08032	5.7
131.08487	2.2
133.07628	2.0
133.10091	2.6
144.46391	1.2
149.01117	2.6
149.02322	52.5
149.05928	2.3
149.08351	2.1
149.09599	10.7
149.13213	16.9
150.02678	3.2
150.05467	1.5
162.18758	1.3
169.03503	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	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03935	1.8
54.47840	0.9
55.01855	1.3
55.05494	2.9
56.03452	0.8
57.07035	1.4
58.14168	0.9
65.03935	28.3
66.04263	0.9
66.80444	0.8
67.05514	1.2
69.07056	3.4
77.03909	0.8
79.05490	7.0
81.03433	0.8
81.07059	3.9
87.72199	0.7
91.05471	8.9
93.03402	8.9
93.07041	16.6
95.04954	3.6
95.26650	0.8
98.03667	1.6
103.05457	3.3
105.03345	1.0
105.07023	20.1
107.04961	1.7
107.08586	24.9
109.06497	1.3
110.07090	0.8
110.08353	1.1
111.04444	7.2
116.06205	0.9
119.06101	1.0
119.08565	5.5
120.09444	1.2
121.01991	1.9
121.02859	37.7
121.03957	8.5
121.06481	3.6
121.10133	60.4
122.03209	2.0
122.07091	1.8
122.10470	3.1
123.08050	3.7
131.04910	1.8
131.08510	2.1
133.10101	2.0
134.10881	1.5
149.02336	100.0
149.05989	3.5
149.08327	1.6
149.09586	10.4
149.13239	14.6
150.02675	7.6
150.03746	1.4
150.05397	0.9
150.10147	1.3
150.13634	0.8
161.76309	0.8
167.03400	2.2
169.03348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03932	2.9
54.84354	1.2
55.01861	1.2
55.05506	9.6
56.55234	1.1
57.07065	4.1
57.40747	1.1
58.55228	0.9
61.85595	1.0
65.03934	31.0
67.05499	3.6
69.07065	17.3
70.07393	1.1
71.45287	1.0
71.61499	2.4
79.05481	18.9
79.80268	1.1
81.03432	1.5
81.07050	10.4
91.05470	23.5
91.06005	2.2
92.99372	1.0
93.03384	10.5
93.07035	54.9
94.07387	1.6
95.04951	5.3
95.08604	3.2
103.05466	3.2
105.03388	2.1
105.07017	21.3
107.04947	2.4
107.08583	89.4
108.08891	2.6
108.42750	1.1
109.06509	7.1
110.08385	1.5
111.04433	9.2
119.08558	5.8
121.02856	43.9
121.03951	9.1
121.06496	3.9
121.10135	51.6
122.03166	2.9
122.07154	2.6
122.10461	2.3
123.08064	2.6
131.04919	2.7
131.08528	1.6
149.02333	100.0
149.05952	4.9
149.08330	2.3
149.09599	7.9
149.13249	34.9
150.02657	5.1
150.03748	1.3
150.10201	2.0
150.13612	1.5
167.03407	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03929	1.6
55.05502	5.8
58.14423	1.0
61.85184	1.1
62.44232	0.9
65.03601	1.5
65.03934	30.1
66.04263	0.9
67.05498	17.3
69.07069	8.5
70.87948	2.7
72.87000	0.8
74.72182	0.8
79.05054	1.9
79.05482	27.2
81.07044	44.7
82.07351	1.3
83.08612	2.7
83.51012	1.0
91.05466	8.8
92.00708	1.1
93.03383	8.8
93.07032	39.2
94.07357	1.0
95.04949	4.2
95.08590	7.6
98.03646	1.3
103.05427	1.0
105.03397	1.0
105.07004	4.6
107.04939	12.6
107.08580	36.6
111.04396	7.8
121.02852	44.6
121.03951	7.7
121.06462	1.5
121.10123	11.9
122.03196	2.9
122.07153	1.4
149.02327	100.0
149.09595	10.6
149.13240	31.0
150.02657	6.3
150.03702	1.8
154.34653	1.1
167.03365	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	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05768	0.8
55.01850	1.8
55.05490	4.4
62.63304	1.1
65.03598	1.4
65.03936	27.1
67.05501	13.8
69.07063	7.8
70.22612	4.7
79.05064	1.4
79.05492	23.0
81.06570	2.2
81.07046	41.0
82.07423	1.1
83.08586	1.2
87.52460	0.9
91.05473	10.9
93.03391	9.8
93.07032	41.1
94.07341	1.1
95.04944	3.7
95.08608	7.8
98.03619	1.1
98.21048	2.3
103.05456	2.4
105.07011	4.2
107.04957	8.1
107.08582	33.1
109.06530	1.1
111.04430	6.8
120.05745	2.0
121.02850	45.3
121.03945	8.0
121.06505	1.9
121.10130	11.4
122.03130	2.1
122.04373	1.1
131.08549	1.3
136.19693	0.9
147.11615	1.1
149.02325	100.0
149.05962	3.6
149.08446	1.8
149.09618	10.1
149.13246	32.6
150.02640	6.1
150.03722	1.7
150.13612	1.8
159.08661	0.9
167.03412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	1.8
55.01845	1.4
55.05496	3.0
56.49101	0.9
58.02620	1.0
65.03937	31.3
66.04266	1.0
67.05502	8.9
69.07063	7.0
70.98662	1.7
70.99031	1.5
78.43293	0.9
79.05487	15.7
81.07050	24.9
82.07384	1.6
83.08604	1.6
91.05474	7.7
93.03396	10.2
93.07035	29.7
94.07381	1.0
95.04949	3.2
95.08588	3.9
98.03662	1.8
103.05457	1.5
105.07008	3.4
107.04949	10.4
107.08591	21.3
108.05254	0.9
109.06511	1.6
111.04433	9.2
119.08569	1.1
121.02856	39.8
121.03951	6.8
121.06490	2.9
121.10133	9.8
121.58031	1.1
122.03200	2.4
125.08676	0.9
131.04933	2.1
131.08640	1.0
149.02333	100.0
149.05948	1.9
149.09605	12.8
149.12164	1.8
149.13254	20.6
150.02676	5.8
150.03748	1.8
150.05478	1.1
167.03384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	1.6
55.05499	2.6
65.03596	1.5
65.03934	29.1
66.04255	1.6
67.01763	0.8
67.05503	7.2
69.07079	4.1
71.62026	1.1
78.61906	0.7
79.05479	13.5
81.07051	21.3
83.08620	1.5
89.01805	0.8
91.05465	7.7
93.03404	8.1
93.07037	22.3
94.07361	1.4
94.07947	0.9
95.04967	3.3
95.08601	4.5
98.03657	1.5
103.05430	1.1
105.03396	1.7
105.07000	2.9
106.50149	0.8
107.04946	11.3
107.08581	16.2
111.04443	7.9
119.08550	1.0
120.05738	1.2
121.02856	40.3
121.03958	7.1
121.06483	1.3
121.10122	5.1
122.03180	3.0
131.04868	1.2
131.08562	0.9
149.02333	100.0
149.05959	2.6
149.09613	10.7
149.13239	16.5
150.02654	7.1
150.05482	1.5
167.03423	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95731	0.8
55.01865	1.5
55.05490	3.6
57.07052	3.3
65.03595	1.3
65.03930	20.5
67.05491	1.9
68.03712	0.9
69.07051	5.6
69.73249	6.1
79.05480	11.9
80.51530	0.7
81.07038	3.0
91.05464	14.1
92.37952	0.7
93.03381	6.0
93.07025	16.8
95.04961	3.1
95.08572	0.9
96.17917	0.8
98.03698	0.8
98.20753	0.9
99.47017	1.2
103.05458	4.1
105.07012	25.9
107.05006	0.9
107.08578	35.6
109.06509	2.4
109.07639	1.1
110.08400	1.8
111.04438	5.7
115.05429	1.0
119.08578	8.0
120.09409	1.4
121.02853	26.9
121.03963	5.2
121.06492	2.5
121.10127	100.0
122.03171	1.5
122.07152	1.4
122.10468	5.0
123.08041	5.8
131.04834	1.3
131.08578	1.8
133.07590	2.9
133.10150	2.0
134.10886	1.3
137.98668	0.9
138.84242	1.0
149.02327	66.0
149.05968	3.8
149.08345	2.0
149.09596	9.1
149.13231	17.6
150.02664	4.9
150.03709	1.1
150.06584	1.0
150.10205	1.7
167.03448	1.2
169.03415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
50.01595	0.7
53.03946	3.7
53.43908	0.5
54.03445	1.2
55.01869	2.5
55.05500	1.2
56.01381	1.4
56.05017	2.4
56.96289	0.8
56.96561	13.8
57.03434	3.5
57.25575	0.5
58.02959	0.5
58.06586	0.8
59.06088	0.8
60.04506	2.0
60.04773	0.4
61.02910	2.1
65.03939	5.9
66.04258	2.8
66.04657	0.6
67.05498	23.6
68.05028	4.6
69.03437	2.8
69.07043	1.0
70.06578	1.1
70.09966	2.7
71.01349	1.0
71.04966	0.7
72.04504	0.9
72.93777	3.1
73.02914	4.3
74.02441	12.0
74.06075	0.9
74.97596	1.3
75.03194	1.4
75.05590	1.2
76.03990	3.8
77.03928	0.5
79.05482	6.3
80.05003	1.7
81.03391	3.0
81.04528	0.9
81.07048	4.4
82.06563	2.0
83.00771	0.7
83.06081	1.6
84.04482	1.2
84.05557	0.5
84.08140	4.2
84.96041	0.9
85.02907	3.0
86.06067	0.8
87.05578	1.5
88.03987	1.7
89.00764	1.1
89.06020	1.1
90.01550	1.5
90.90366	1.7
90.94812	1.8
91.05496	3.9
92.01283	0.8
92.04960	0.5
92.05801	0.9
93.05782	1.2
93.07034	4.5
94.03670	1.1
94.06560	54.6
95.04970	6.5
95.06078	2.9
95.06837	0.7
95.08587	3.0
96.01534	2.1
96.04475	3.0
96.05196	0.7
96.08116	1.6
97.02870	2.2
97.07657	0.9
97.99163	0.7
98.01254	1.1
98.20784	0.6
98.97568	3.7
100.02480	1.4
101.00746	1.1
102.01888	4.0
102.05547	0.6
103.04990	1.0
104.01275	1.7
104.07095	1.2
105.02049	1.5
105.03387	1.3
105.04486	0.8
105.07015	10.1
106.06545	17.1
107.01807	1.4
107.06056	1.0
107.06814	0.9
107.08586	3.0
108.04475	1.6
108.05605	0.6
108.06816	0.7
108.08120	0.9
108.08894	0.8
108.10883	0.7
108.95872	1.1
109.02870	1.3
109.06519	3.6
109.07630	12.4
109.10144	1.1
110.01285	4.2
110.06043	0.7
110.07204	0.9
110.08414	12.7
111.04436	1.1
111.07961	1.2
112.04748	1.1
113.01803	0.7
113.96411	1.3
114.02605	0.6
115.51982	0.6
116.00211	0.6
116.98601	3.6
118.01116	0.6
118.03541	1.6
118.52596	0.6
119.01796	8.8
119.04913	1.6
121.02872	1.6
121.06470	0.6
121.52002	1.3
122.03194	8.5
122.04197	1.4
122.06022	34.3
122.06879	1.2
122.07982	1.0
122.10524	0.9
123.04414	4.8
123.05535	0.9
123.06303	0.9
123.08007	4.4
123.09170	8.6
124.03902	0.6
124.07562	0.6
125.48637	0.8
126.59477	1.6
127.01519	0.8
128.02309	10.2
128.98578	1.2
130.52560	1.4
131.97409	1.4
131.99681	1.0
132.04401	0.6
132.05315	0.9
132.06570	2.7
132.08073	0.7
132.95776	0.6
133.02773	1.3
133.05054	1.6
133.06558	1.0
133.07597	3.4
133.10109	0.9
134.99632	4.7
135.07906	0.8
137.02840	6.3
139.53096	2.1
142.03432	1.2
145.03465	0.6
146.99640	2.3
148.00456	0.5
148.03935	1.1
148.53610	1.3
149.94038	1.3
150.00740	1.2
150.02705	24.0
150.05490	100.0
150.07706	9.6
150.09090	4.4
150.10240	19.9
150.12656	1.2
150.96887	2.7
151.02837	0.9
151.03940	5.7
151.05907	3.2
151.07497	4.8
151.08672	1.9
151.09772	0.9
151.11147	2.0
158.01210	1.1
161.01117	0.6
164.02228	0.5
165.00696	0.8
168.01868	0.7
168.06555	22.3
169.06870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03926	2.9
55.01863	6.2
55.05507	10.3
56.26276	0.7
56.96543	1.8
57.03442	5.5
57.07067	1.9
59.04983	0.9
61.47567	0.9
65.03923	2.5
66.77950	0.7
67.05499	59.7
68.05815	2.1
68.95274	1.0
69.03424	9.8
69.07072	5.2
69.89111	3.0
69.89511	2.0
71.04978	3.5
79.05487	40.3
80.56608	0.8
81.03410	1.8
81.07050	56.1
82.07378	2.2
83.04971	19.2
85.06518	3.3
89.06020	2.6
90.68015	0.9
91.05473	51.2
92.05798	1.6
93.07034	44.8
94.07346	1.3
95.04965	16.7
95.07971	1.2
95.08594	18.9
95.68284	0.8
95.96447	0.8
96.08910	1.2
97.06510	1.6
102.83131	0.9
103.05446	0.9
105.07021	85.7
106.07362	3.3
107.08582	100.0
108.08908	3.5
109.05774	1.3
109.06508	21.8
109.10144	37.5
110.01238	1.0
110.10476	1.5
116.48141	1.0
119.01807	1.2
123.04425	3.3
123.08076	8.2
123.11671	11.0
128.02315	0.8
131.08539	4.4
133.06561	1.3
133.10118	84.3
134.10432	3.9
137.48238	0.9
151.02811	1.3
151.03947	2.1
151.07588	6.4
151.11169	92.7
152.01631	1.8
152.07040	2.3
152.11526	3.1
153.90500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03946	2.8
55.01865	2.1
55.05503	2.3
56.96551	2.1
57.03436	1.4
57.07056	0.9
58.06607	1.1
59.64338	0.6
61.02953	0.6
65.03933	1.8
67.05498	13.2
68.05010	3.0
68.95271	1.1
69.03424	2.3
69.04538	0.9
69.07069	2.2
70.16611	2.9
71.04984	1.0
73.02910	1.1
77.03933	0.7
79.05485	10.8
81.03409	1.7
81.04536	0.6
81.07047	22.9
81.78807	0.6
82.06585	0.6
83.04985	1.1
83.06099	2.7
89.05984	1.7
91.05471	25.6
92.05788	1.2
93.04508	1.1
93.07032	100.0
94.07370	2.7
95.04963	14.7
95.06057	1.0
95.08597	11.1
96.08098	0.9
97.07653	1.3
98.97560	1.0
103.05478	1.7
103.53932	0.6
105.03406	1.5
105.04533	1.1
105.07018	35.4
106.07368	1.5
107.04944	1.0
107.08580	10.1
108.05705	1.1
109.02921	0.7
109.06509	15.2
109.07664	2.9
109.10139	10.3
110.01279	1.0
110.07163	6.3
111.05579	0.7
111.07940	13.9
111.09188	1.0
116.98599	0.9
119.01792	2.9
119.04902	0.9
121.06483	1.6
121.10160	1.8
122.07164	0.8
123.04411	7.8
123.08064	9.3
123.11691	5.4
124.08701	2.0
124.11992	0.8
127.91074	0.6
128.02306	2.1
131.08502	1.0
133.06511	5.8
133.10110	19.6
134.06001	0.9
134.07111	1.9
141.05449	0.6
151.02905	1.2
151.03960	8.1
151.05005	1.0
151.07544	18.2
151.09813	7.7
151.11157	54.8
152.01654	2.7
152.03349	0.7
152.07048	2.2
152.08116	1.9
152.11520	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	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03933	1.5
55.01854	1.8
55.05515	4.0
56.05025	1.1
56.96547	1.8
57.03411	2.6
57.07052	2.5
58.98786	0.6
59.04980	0.9
59.56687	0.7
59.57005	0.6
65.03928	2.3
67.01846	1.6
67.05168	1.0
67.05502	17.9
68.05029	4.5
68.95269	1.5
69.03419	3.4
69.04521	1.2
69.07044	2.6
70.06565	1.6
71.04989	3.1
71.12856	1.4
79.05478	14.3
80.04980	1.3
81.03397	1.6
81.04527	1.4
81.07048	73.9
82.06544	1.5
82.07373	1.8
83.04975	0.8
83.06083	3.8
84.05599	0.7
89.06002	1.5
91.05481	19.8
93.04481	0.8
93.07032	54.1
94.06501	1.0
94.07374	1.9
95.04964	14.2
95.06017	1.3
95.08600	16.4
96.08097	0.9
97.07641	2.0
98.97575	0.8
103.05467	1.5
105.03381	1.3
105.04546	0.9
105.07021	38.8
106.06598	0.9
106.07336	2.6
107.04935	1.9
107.06085	1.7
107.08584	21.4
108.05713	1.3
109.06508	30.8
109.07600	5.7
109.09434	1.3
109.10140	15.2
110.01257	1.2
110.07183	8.5
111.05555	0.9
111.07948	14.2
111.09193	1.0
112.06413	0.8
112.09948	0.8
116.48190	1.2
116.98633	0.8
119.01800	1.5
119.04926	1.8
121.10168	3.6
122.07181	1.4
123.04426	15.2
123.08057	27.3
123.11697	24.8
124.03946	0.7
124.04822	0.7
124.07568	1.5
124.08639	3.4
125.48656	0.9
127.07554	2.1
128.02312	1.6
131.08556	1.3
133.06465	3.5
133.10115	32.9
134.06052	0.9
134.07104	2.0
134.10460	2.0
135.09105	1.2
136.05124	1.1
151.02815	3.6
151.03891	9.2
151.07574	14.4
151.09802	10.2
151.11159	100.0
152.01674	3.4
152.07013	3.2
152.08163	2.5
152.11595	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	151.1116
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03930	1.7
53.18772	0.5
55.01853	2.3
55.05511	3.3
56.05042	0.5
56.96550	2.5
57.03426	1.6
57.07061	1.4
58.06600	0.8
59.04980	0.9
60.60027	0.5
61.02932	0.5
65.03929	2.1
67.05501	12.7
68.05042	2.5
68.95287	1.4
69.03425	2.8
69.07063	3.3
73.02897	0.5
79.05488	11.5
80.05029	0.8
81.03410	2.3
81.07051	24.3
82.06559	0.8
82.07339	0.6
83.04971	1.7
83.06095	2.6
84.05606	0.6
89.06030	3.0
91.04967	0.8
91.05479	13.1
93.07039	14.4
94.07360	0.6
95.01324	0.7
95.04964	8.6
95.06055	0.7
95.08596	15.3
96.04477	0.7
96.08110	1.5
97.06517	1.1
97.07657	0.8
98.97576	1.5
101.34055	0.6
103.05453	2.4
105.07025	39.6
106.07333	2.2
107.04939	2.0
107.08587	11.2
108.05724	4.5
109.02824	0.9
109.06513	16.8
109.07668	1.8
109.10149	12.8
110.01242	1.3
110.06001	0.6
110.07176	5.2
111.05553	0.8
111.07935	9.7
116.48127	1.3
116.98609	1.3
119.01775	2.0
119.04932	1.7
121.06429	1.0
121.10140	2.2
123.03639	0.5
123.04414	3.3
123.05533	0.9
123.08059	13.7
123.11693	6.7
124.07574	5.4
124.08649	1.8
128.02284	2.0
131.08632	0.8
133.02814	0.7
133.06480	5.0
133.10123	8.9
134.05986	1.1
134.07077	1.4
134.99608	0.9
136.05190	4.3
136.08791	1.9
137.02829	0.5
139.53171	0.7
146.99673	0.6
151.02838	1.4
151.03897	5.8
151.04994	1.2
151.06252	1.4
151.07542	35.9
151.09842	6.7
151.11163	100.0
152.01659	2.7
152.06926	3.5
152.08151	2.5
152.11534	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	152.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
53.03938	0.7
54.17110	0.3
55.01869	1.7
55.05503	3.0
56.05029	1.2
56.96558	46.3
57.03433	4.7
57.07068	28.2
57.07370	0.5
58.06596	0.5
58.07404	1.2
61.02921	2.8
62.00025	0.4
65.03933	10.2
66.04266	0.6
67.05497	38.1
68.05022	1.9
68.05831	2.4
68.96530	0.5
69.03062	0.6
69.03423	9.1
69.04542	0.3
69.07055	1.3
70.03759	0.3
70.06592	2.1
70.91617	1.1
70.94243	0.9
70.95866	0.5
71.01353	0.7
71.04978	1.7
71.95265	2.3
72.96030	0.5
73.02912	8.9
74.97611	1.3
77.00805	0.6
79.05482	2.7
80.05003	0.9
81.03413	4.1
81.04539	0.9
81.07047	3.2
82.06593	0.9
82.07384	0.5
83.00778	0.6
83.04973	3.1
83.06100	1.1
84.01537	0.4
84.04491	0.4
84.05751	0.6
84.96027	3.3
85.02895	12.1
85.06533	12.2
86.06873	0.5
87.04450	1.8
88.95304	0.5
89.00830	0.6
89.02593	1.0
90.01568	0.6
91.03943	1.2
91.05457	1.2
92.01275	0.3
93.03389	1.2
93.07039	1.9
94.06557	1.6
94.07344	0.4
95.04965	2.8
95.06078	1.2
95.08592	0.6
96.01519	0.5
96.04485	0.6
96.08128	1.6
97.02266	0.7
97.02881	10.3
97.06532	2.0
97.07648	2.4
98.01283	1.0
98.03090	2.0
98.97572	95.5
99.02003	0.6
99.04431	1.6
99.97921	2.3
100.97187	0.4
102.97070	1.2
104.01288	0.8
106.06564	0.6
106.07324	0.9
107.04945	4.8
107.06063	1.3
107.08601	1.6
108.03347	0.7
108.04447	0.4
108.08146	0.6
109.02905	2.2
109.06486	1.0
109.07636	4.1
109.10154	0.6
110.01280	0.6
110.02951	0.4
110.03564	1.3
110.06035	0.7
110.07157	0.4
110.09653	0.3
110.97552	2.9
111.02106	0.3
111.04428	9.2
111.05560	0.4
111.08053	0.8
111.09195	1.7
111.96860	0.4
112.07578	0.7
112.09966	1.1
112.99043	0.3
113.05869	1.3
115.34322	0.3
116.03107	0.6
116.98606	100.0
117.03831	0.6
117.98957	2.0
119.01807	2.5
119.51965	0.5
120.98074	0.4
122.03040	0.7
123.03772	0.5
124.03934	0.5
124.07557	1.5
124.08417	0.6
125.05975	3.9
125.07012	0.6
125.10762	0.7
126.06618	0.5
127.03904	2.9
128.02293	1.7
128.03169	0.6
128.04585	0.3
128.98598	7.3
129.97881	1.0
131.00114	0.8
131.01939	0.4
134.06007	3.6
134.07088	1.2
134.99643	71.0
135.04395	2.5
135.05434	0.7
135.08192	0.6
135.09105	2.3
135.11751	0.4
135.99992	1.4
137.00084	0.5
137.02840	0.6
137.53047	0.3
139.03369	0.4
140.00192	3.7
140.98489	0.4
141.02173	3.6
141.03009	0.4
143.00134	0.8
144.98085	0.6
145.01712	0.6
145.04964	1.1
146.99632	12.7
147.03087	0.6
147.05034	0.7
149.01201	1.0
151.03932	0.7
152.00017	0.3
152.00557	0.3
152.01645	2.2
152.04381	1.5
152.05641	1.9
152.06879	10.7
152.08162	2.1
152.10660	1.1
152.11795	3.2
152.54324	0.4
153.00690	9.2
153.01894	0.8
153.04063	3.3
153.05441	2.9
153.06573	0.6
153.07756	0.3
153.09070	0.8
153.10220	0.7
153.11322	0.4
153.12703	0.6
154.01213	0.4
154.02449	1.3
157.01718	1.1
158.01222	4.9
158.02434	0.6
158.99641	20.3
159.03276	25.0
159.04845	0.8
159.99994	1.0
160.03624	1.1
161.01224	3.1
161.03143	0.5
161.04631	8.2
161.54793	0.5
162.06010	0.3
162.99097	1.2
165.00726	2.5
170.01228	0.5
170.05177	0.8
170.99641	0.6
171.03229	0.6
172.55464	1.0
173.01189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02364	0.7
53.03943	1.7
54.03461	1.0
55.01858	3.7
55.05502	11.3
56.05021	2.7
56.96557	2.1
57.03428	2.1
57.04555	0.8
57.07060	1.2
58.06587	1.4
59.04996	8.7
59.06114	1.1
62.54020	0.6
65.03593	1.2
65.03930	18.9
67.02981	0.8
67.05494	10.2
68.05017	2.8
68.99775	1.2
69.03065	1.1
69.03420	10.6
69.03765	1.2
69.04524	2.1
69.07062	7.7
69.88869	2.8
70.06591	5.4
70.94253	8.7
70.95846	2.3
71.01337	0.8
71.04984	12.8
71.06092	1.8
71.94085	2.7
71.95258	1.7
72.04518	0.8
72.08154	3.8
73.06547	6.5
79.01862	0.6
79.05480	21.7
80.05009	1.2
80.05825	0.7
81.03396	2.0
81.04536	2.7
81.07046	32.8
82.06564	2.0
83.04963	11.3
83.06079	3.2
83.08607	3.5
84.04485	1.0
84.08118	2.0
85.02882	1.3
85.06543	1.0
85.07664	1.3
88.95293	2.8
88.96892	1.7
91.05463	12.4
92.05816	0.7
93.03384	5.2
93.07028	29.5
94.06549	1.9
95.04953	23.2
95.06049	6.3
95.08600	6.6
95.09176	1.0
95.51020	0.7
96.04461	1.0
96.05678	1.5
96.06287	0.6
96.06873	0.9
97.02889	2.2
97.03981	1.2
97.06501	11.5
97.07573	3.1
97.10155	1.0
98.06038	0.7
98.07182	1.1
99.05609	0.9
105.07011	3.0
106.96321	1.3
107.04942	6.5
107.06088	1.5
107.08576	35.4
108.04444	0.7
108.05615	1.0
108.08950	0.8
109.06505	8.0
109.07603	6.4
109.10138	9.1
109.98961	0.8
110.03655	4.0
110.06056	1.1
110.07187	4.4
110.08435	0.7
111.04427	45.6
111.08062	100.0
111.09138	4.5
111.96874	4.6
111.98428	0.9
112.04729	0.8
112.07577	1.3
112.08675	7.0
112.96744	0.8
113.05863	5.6
113.07127	1.6
117.06989	1.7
119.06049	0.9
119.08573	1.3
123.08018	0.9
124.08679	0.8
125.05976	18.4
125.06976	1.4
125.09612	45.0
126.05491	0.9
126.06538	1.4
126.09112	1.0
126.10126	2.3
127.99989	0.8
129.97914	6.1
130.96257	1.3
130.97699	1.1
135.04439	4.4
135.08052	10.5
135.11668	11.6
136.05034	1.1
136.07616	1.1
136.08658	5.3
137.07080	2.1
137.10724	0.7
144.83855	0.6
148.97357	4.2
152.99464	1.2
153.01833	5.2
153.04378	0.5
153.05463	13.4
153.06551	1.5
153.07687	3.5
153.09079	27.0
153.11327	14.0
153.12708	9.4
154.02533	0.7
154.04930	1.6
154.06081	1.1
154.08562	1.6
154.09705	5.6
154.13321	1.3
159.75832	0.6
166.65318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03930	2.6
55.01863	23.4
55.05502	16.4
56.05006	3.9
56.96555	2.9
57.03424	7.6
57.07066	3.1
59.04989	24.8
59.06103	1.6
65.03593	2.5
65.03926	30.5
66.86825	1.4
67.05492	25.2
68.05016	4.2
68.99773	2.1
69.03419	16.1
69.04534	3.1
69.07057	14.6
70.06583	7.2
70.94251	12.3
70.95845	4.4
71.01320	2.5
71.04997	6.9
71.06094	2.7
71.61042	2.4
71.94085	4.1
71.95239	2.5
72.08150	3.9
75.34603	1.7
79.05479	51.5
80.05804	1.9
81.03394	4.3
81.04527	4.2
81.07043	16.5
82.06538	2.1
83.04967	29.4
83.06094	3.1
83.08611	4.4
83.76476	1.4
85.02896	1.9
88.95285	4.4
88.96906	1.7
91.05467	32.9
93.03397	11.0
93.07031	36.1
94.06543	2.2
95.04958	20.7
95.06041	8.0
95.08591	16.4
97.02868	3.9
97.04020	2.5
97.06510	15.7
97.07694	1.8
98.07159	1.8
105.07001	18.9
107.04929	14.5
107.08576	100.0
108.04445	1.7
108.05670	5.2
108.08937	3.0
109.06491	22.4
109.07628	5.1
109.10143	12.4
110.03625	5.5
110.07154	5.7
111.04421	94.3
111.08051	26.5
111.08823	1.7
111.09190	3.9
111.96864	8.9
112.04753	2.0
112.08713	13.0
112.96664	2.5
113.05852	4.2
115.05414	3.4
117.06983	8.9
119.06055	2.8
121.06470	1.6
123.08041	46.0
124.05199	1.8
124.08504	1.7
125.05975	29.8
125.06869	1.0
125.09608	39.9
126.06486	1.5
126.09081	1.5
126.10197	2.8
129.97868	9.9
130.97710	1.4
133.07632	3.5
135.04402	5.6
135.08031	88.1
135.11662	10.8
136.07545	2.5
136.08594	7.8
136.09605	1.3
138.03081	2.3
146.57475	1.3
148.97369	2.8
153.01865	7.9
153.05463	23.4
153.06555	2.6
153.07933	2.1
153.09085	51.2
153.10123	2.9
153.11328	19.2
153.12726	19.0
154.06021	2.0
154.08618	3.3
154.09714	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	153.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03943	1.7
54.03461	1.0
55.01858	3.7
55.05502	11.3
56.05021	2.7
56.96557	2.1
57.03428	2.1
57.04555	0.8
57.07060	1.2
58.06587	1.4
59.04996	8.7
59.06114	1.1
62.54020	0.6
65.03593	1.2
65.03930	18.9
67.02981	0.8
67.05494	10.2
68.05017	2.8
68.99775	1.2
69.03065	1.1
69.03420	10.6
69.03765	1.2
69.04524	2.1
69.07062	7.7
69.88869	2.8
70.06591	5.4
70.94253	8.7
70.95846	2.3
71.01337	0.8
71.04984	12.8
71.06092	1.8
71.94085	2.7
71.95258	1.7
72.04518	0.8
72.08154	3.8
73.06547	6.5
79.01862	0.6
79.05480	21.7
80.05009	1.2
80.05825	0.7
81.03396	2.0
81.04536	2.7
81.07046	32.8
82.06564	2.0
83.04963	11.3
83.06079	3.2
83.08607	3.5
84.04485	1.0
84.08118	2.0
85.02882	1.3
85.06543	1.0
85.07664	1.3
88.95293	2.8
88.96892	1.7
91.05463	12.4
92.05816	0.7
93.03384	5.2
93.07028	29.5
94.06549	1.9
95.04953	23.2
95.06049	6.3
95.08600	6.6
95.09176	1.0
95.51020	0.7
96.04461	1.0
96.05678	1.5
96.06287	0.6
96.06873	0.9
97.02889	2.2
97.03981	1.2
97.06501	11.5
97.07573	3.1
97.10155	1.0
98.06038	0.7
98.07182	1.1
99.05609	0.9
105.07011	3.0
106.96321	1.3
107.04942	6.5
107.06088	1.5
107.08576	35.4
108.04444	0.7
108.05615	1.0
108.08950	0.8
109.06505	8.0
109.07603	6.4
109.10138	9.1
109.98961	0.8
110.03655	4.0
110.06056	1.1
110.07187	4.4
110.08435	0.7
111.04427	45.6
111.08062	100.0
111.09138	4.5
111.96874	4.6
111.98428	0.9
112.04729	0.8
112.07577	1.3
112.08675	7.0
112.96744	0.8
113.05863	5.6
113.07127	1.6
117.06989	1.7
119.06049	0.9
119.08573	1.3
123.08018	0.9
124.08679	0.8
125.05976	18.4
125.06976	1.4
125.09612	45.0
126.05491	0.9
126.06538	1.4
126.09112	1.0
126.10126	2.3
127.99989	0.8
129.97914	6.1
130.96257	1.3
130.97699	1.1
135.04439	4.4
135.08052	10.5
135.11668	11.6
136.05034	1.1
136.07616	1.1
136.08658	5.3
137.07080	2.1
137.10724	0.7
144.83855	0.6
148.97357	4.2
152.99464	1.2
153.01833	5.2
153.04378	0.5
153.05463	13.4
153.06551	1.5
153.07687	3.5
153.09079	27.0
153.11327	14.0
153.12708	9.4
154.02533	0.7
154.04930	1.6
154.06081	1.1
154.08562	1.6
154.09705	5.6
154.13321	1.3
159.75832	0.6
166.65318	0.6
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
51.67699	0.9
53.03937	1.4
55.01861	2.6
55.02973	1.1
55.05505	7.7
57.03432	2.4
57.07049	2.4
59.04983	1.8
65.03606	1.6
65.03931	26.5
65.36029	1.0
67.05495	13.7
68.05034	1.6
69.03409	4.4
69.04537	2.0
69.07061	11.3
69.76605	6.7
70.06568	4.5
70.94258	12.7
70.95851	2.9
71.04968	4.2
71.06100	1.6
71.94093	9.7
71.95261	1.7
72.08137	1.7
77.02149	1.1
77.03957	1.0
78.77923	1.1
79.05481	19.9
81.03397	1.7
81.07050	14.7
83.04964	10.8
83.06059	2.5
83.08603	4.1
85.07661	1.6
88.95270	2.7
91.05467	12.3
93.03387	8.9
93.07032	62.8
94.07384	1.5
95.04959	12.2
95.06074	4.3
95.08596	51.0
96.08884	1.8
97.02856	2.0
97.06533	16.4
97.07616	2.1
98.20773	1.5
98.99773	1.1
105.07025	5.0
107.04947	4.2
107.08585	100.0
108.08901	4.8
109.06506	5.3
109.07624	2.7
109.09435	2.1
109.10141	21.4
110.03650	6.2
110.07175	2.1
111.04432	68.5
111.08057	7.2
111.09187	2.4
111.96867	6.5
112.04807	1.4
112.08711	8.9
112.96684	4.6
113.05878	1.7
117.07001	1.1
121.02803	1.7
121.06384	1.1
125.05981	32.6
125.09628	5.8
126.05448	1.1
126.10225	1.5
129.97894	9.2
130.97716	2.7
134.06036	1.2
135.04384	4.3
135.05492	2.0
135.07098	1.4
135.08051	15.4
135.10664	2.4
135.11668	38.6
136.08675	3.5
136.12025	2.5
152.99454	1.5
153.01831	7.8
153.05461	18.3
153.06578	1.4
153.09142	11.0
153.10225	2.6
153.11333	8.7
153.12714	23.8
154.04964	2.3
154.08571	1.5
154.09721	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	1.3
55.01855	1.2
55.05494	5.4
57.03423	2.7
57.07065	1.0
59.04995	1.6
64.84682	0.9
65.03933	9.1
67.05495	9.7
69.03404	1.9
69.07059	8.8
70.06586	1.1
70.94241	3.3
70.95848	1.0
71.04978	2.2
71.62910	1.8
71.94081	2.6
73.06497	0.8
79.05483	9.3
81.07049	14.0
83.04973	7.1
83.08611	1.7
87.04427	0.8
88.95276	0.9
91.05457	7.5
93.03404	4.0
93.07034	60.8
93.90961	0.7
94.07383	1.2
95.04964	5.6
95.08596	57.3
96.08939	1.3
97.06519	12.4
105.07029	3.2
107.04957	1.3
107.08582	100.0
108.08910	4.3
109.06516	2.3
109.10149	16.2
110.03667	1.0
110.07176	1.7
111.04435	18.8
111.08090	2.4
111.09136	0.9
111.96862	2.7
112.08717	2.5
112.96686	1.3
125.05971	9.3
125.09672	1.4
129.97900	2.6
130.97755	1.4
135.08069	4.7
135.11679	43.8
136.08585	0.8
136.12024	1.1
153.01845	1.8
153.05457	4.3
153.09084	2.7
153.11469	1.7
153.12720	22.7
154.04979	0.9
154.09676	0.9
154.13071	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03923	2.5
54.24804	0.9
55.01862	2.1
55.05502	9.7
56.05034	1.0
56.96558	1.8
57.03419	3.1
57.07068	2.4
59.04985	3.5
61.96316	0.9
65.03928	20.9
65.26563	0.8
67.01846	1.4
67.02984	1.0
67.05494	17.6
68.05005	2.8
68.99764	1.7
69.03421	4.6
69.04535	1.6
69.07053	17.9
69.85976	1.8
69.86388	4.2
70.06580	4.1
70.94254	8.7
70.95846	2.0
71.04970	3.9
71.06111	1.3
71.94089	9.4
71.95247	2.2
72.08144	1.9
73.06544	1.2
79.05481	19.8
80.05001	1.2
81.03395	1.6
81.07043	21.8
83.04973	11.6
83.06068	3.5
83.08602	3.0
85.07630	1.8
85.82208	0.9
88.95277	3.3
91.05461	11.0
92.05843	1.0
93.03378	5.7
93.07027	72.3
94.07347	2.3
95.04959	19.3
95.06061	4.5
95.08591	52.8
97.02862	1.5
97.03987	1.0
97.06516	18.8
97.07649	2.1
98.07195	1.1
98.20826	1.7
105.07003	4.0
107.04934	3.9
107.08575	100.0
108.05626	1.2
108.08243	0.9
108.08913	2.9
109.06499	10.8
109.07646	2.9
109.10134	24.9
110.03617	3.3
110.07141	3.5
111.04425	45.1
111.05567	1.7
111.08049	10.6
111.09192	1.8
111.96844	5.4
112.04751	1.8
112.08713	9.4
112.96680	3.6
113.05856	2.7
117.06979	1.1
119.06063	1.1
119.08568	1.3
124.08733	1.1
125.05965	20.1
125.09593	6.1
129.97923	6.5
130.97719	4.1
135.04410	3.6
135.08025	6.1
135.11667	48.2
136.07625	1.1
136.08676	3.7
136.12012	2.0
137.07181	1.4
138.06743	1.1
148.97325	1.5
153.01808	6.7
153.05486	12.9
153.06650	1.4
153.09146	9.6
153.10201	2.1
153.11336	16.7
153.12723	30.8
154.04898	1.4
154.06050	1.2
154.08592	1.3
154.09705	2.6
154.13074	1.2
171.02808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03931	1.1
55.01866	1.5
55.05507	5.4
56.05009	0.7
56.96545	0.9
57.03427	2.9
57.07056	1.7
57.34941	0.7
59.04972	1.9
59.32834	0.5
65.03929	9.2
67.05158	0.9
67.05498	11.2
68.05010	1.0
69.03425	3.5
69.07062	8.9
69.45234	1.2
69.45638	4.4
70.06574	1.6
70.94247	4.4
70.95854	0.9
71.04984	2.6
71.94109	4.1
71.95251	1.1
79.05046	1.0
79.05482	12.4
79.73116	0.5
81.03406	0.8
81.07050	14.5
83.04974	6.5
83.06089	0.9
83.08605	2.3
87.82762	0.6
88.95284	1.3
89.95141	0.9
91.05471	8.5
93.03403	3.5
93.07033	67.9
94.07365	1.7
95.04960	27.4
95.06055	1.6
95.08596	54.0
96.08929	1.7
97.02902	0.7
97.06514	8.7
105.07012	3.3
107.04934	2.2
107.08582	100.0
108.08910	3.3
109.06503	9.5
109.07626	0.9
109.10142	13.6
110.03639	2.5
110.07146	1.3
111.04426	22.3
111.05579	1.1
111.08067	4.9
111.09195	1.7
111.96830	2.2
112.08714	3.5
112.96678	2.5
113.05862	0.9
125.05978	9.9
125.09571	2.9
126.10227	1.0
129.97910	2.5
130.97752	1.9
135.04420	2.4
135.08046	5.3
135.11674	39.7
136.07529	0.7
136.08652	1.4
136.11987	1.3
138.06728	0.7
148.97400	0.7
153.01860	1.9
153.05461	7.3
153.06653	0.6
153.09103	7.4
153.11365	4.8
153.12737	17.7
153.13925	1.2
154.04944	1.1
154.09758	1.2
154.13129	1.0
166.13449	0.6
166.38416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03931	3.4
55.01871	3.8
55.05505	21.0
56.96556	3.4
57.03430	4.3
57.07063	2.9
59.05001	8.3
65.03935	28.5
67.01861	2.4
67.05495	14.3
68.05052	1.8
68.99771	2.4
69.03423	4.7
69.04548	3.1
69.07060	15.7
69.99090	6.6
70.06581	3.6
70.94251	14.2
70.95856	3.8
71.01357	1.4
71.04983	44.8
71.06096	1.9
71.94099	15.8
71.95245	4.2
72.08135	2.5
73.06549	28.4
75.04498	1.4
79.05482	33.6
79.07835	1.1
80.04998	1.6
81.03414	3.6
81.04560	1.2
81.07047	100.0
82.07383	1.9
83.04977	10.0
83.06076	3.5
83.08628	6.0
83.36403	1.3
84.83726	1.2
85.06519	3.0
85.07651	1.7
88.72231	1.3
88.95278	4.0
88.96896	1.8
89.95110	1.9
91.05466	11.7
93.03394	6.7
93.07034	60.0
94.06551	2.1
94.07360	2.8
94.16457	1.2
95.04955	14.0
95.06075	5.3
95.08593	18.7
96.08924	1.4
97.02889	3.1
97.06529	18.5
97.07607	1.8
98.20777	1.5
98.21326	2.9
105.07011	3.3
107.04957	6.7
107.08585	60.7
108.04514	1.2
108.05555	2.0
108.08943	2.6
109.06507	5.6
109.07639	4.2
109.10144	20.5
110.03658	6.3
110.07137	4.9
111.04430	66.4
111.08064	13.5
111.09191	5.4
111.96847	9.7
111.98508	1.5
112.04781	1.9
112.08721	14.6
112.96720	7.7
113.05857	2.4
117.07049	1.4
119.08584	2.2
121.06486	1.9
125.05972	25.7
125.09595	7.4
126.06339	1.6
126.10208	1.8
129.97894	12.0
130.97760	7.2
135.04443	2.6
135.08043	8.9
135.11676	43.3
136.03978	1.9
136.07610	2.0
136.08673	5.2
136.11986	1.7
140.80545	1.2
148.97359	2.4
152.99538	2.2
153.01825	12.5
153.05472	16.8
153.06581	2.1
153.09128	15.1
153.10223	1.4
153.11362	17.7
153.12741	33.4
153.99319	1.7
154.04951	1.6
154.08609	3.3
154.09656	3.7
157.46846	1.1
158.62370	1.2
171.02934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00288	1.8
53.03914	2.3
54.03458	1.5
55.01857	3.5
55.05497	17.6
56.05019	4.5
56.96547	4.0
57.02027	1.0
57.03420	4.9
57.04525	1.3
57.07063	4.5
58.06586	1.3
58.37732	1.5
59.04995	10.6
59.06103	1.5
65.03930	22.6
67.02971	1.2
67.05492	14.1
68.05012	4.1
68.99765	3.6
69.03412	5.9
69.04539	2.6
69.07056	17.9
70.06570	6.5
70.94248	15.0
70.95847	5.3
71.01368	1.4
71.04981	40.2
71.06083	1.7
71.62854	2.0
71.94084	4.4
71.95260	3.1
72.08134	4.1
73.06551	21.1
73.38731	1.3
79.05481	33.5
81.03389	2.4
81.04533	2.6
81.07043	100.0
82.06573	1.7
82.07377	3.3
83.04979	10.0
83.06087	3.8
83.08608	4.0
84.04491	2.4
84.08139	2.4
85.06518	2.5
85.07647	2.2
88.95272	4.4
88.96883	3.6
89.95081	1.7
91.05460	12.8
93.03394	7.7
93.06461	2.8
93.07034	53.0
94.06557	1.9
94.07343	1.5
95.04955	18.3
95.06068	5.5
95.08598	16.2
96.05670	1.9
97.02883	1.4
97.06511	14.9
97.07634	4.1
98.06055	2.0
105.06997	4.5
107.04957	13.5
107.06060	2.3
107.08578	57.5
107.25190	1.2
108.04420	1.4
109.06526	6.8
109.07634	6.9
109.10141	15.9
110.03661	4.6
110.07148	4.2
111.04427	54.0
111.06696	1.6
111.08059	19.5
111.09203	6.4
111.96845	9.1
112.04798	1.6
112.08730	10.5
112.96687	1.8
113.05858	8.1
113.07116	1.9
117.06931	2.1
119.08561	3.0
125.05984	25.0
125.06988	2.1
125.09584	8.9
126.06554	1.9
126.10191	2.1
127.94928	1.3
127.99987	1.6
129.97884	11.0
129.99507	1.6
130.96297	2.5
130.97772	1.5
135.04398	4.4
135.08029	7.9
135.11670	34.0
136.03964	2.0
136.07605	2.4
136.08675	5.3
136.12035	1.3
137.07076	2.8
139.59317	1.4
144.52011	1.3
148.97318	5.1
153.01828	13.7
153.05475	17.9
153.06557	2.4
153.07660	5.5
153.09081	15.8
153.10229	2.1
153.11334	22.0
153.12721	25.7
153.13924	1.9
154.04878	2.1
154.05994	2.0
154.08588	2.6
154.09721	7.0
164.00139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.05505	3.7
56.05022	0.8
56.96550	0.3
57.03429	0.3
57.07057	0.3
58.06581	0.3
65.03927	0.3
67.05497	1.1
68.05013	0.4
69.03420	0.4
69.04568	0.4
69.07066	0.2
69.80633	0.8
69.81049	0.4
70.06588	1.0
70.94247	0.3
71.04980	0.4
71.94086	0.8
71.95253	0.4
72.04508	0.3
72.08134	0.6
72.93781	11.1
73.02928	0.2
79.05482	1.4
80.04994	0.2
81.03403	0.3
81.04556	0.2
81.07049	5.6
81.67599	0.2
82.06562	0.8
82.07370	0.3
83.04950	0.5
83.06083	0.7
83.07331	0.2
83.08627	1.0
84.04494	0.3
84.08140	0.7
85.07636	0.3
90.94815	2.5
91.05464	0.6
92.05746	0.2
93.05791	0.5
93.06991	0.3
94.06561	0.4
95.04979	0.9
95.06068	1.1
95.08599	0.6
96.04472	0.4
96.05305	0.2
96.08099	0.4
97.04021	0.2
97.05264	2.3
97.06444	0.2
97.07668	0.3
98.06058	2.2
98.09686	1.3
98.21119	0.6
99.04448	0.4
100.89635	0.2
108.04561	0.2
108.08109	1.8
108.95838	0.7
109.02904	0.3
109.06509	4.5
109.07619	1.0
109.10154	1.1
110.06033	2.6
110.06773	0.3
111.04443	0.6
111.05577	0.3
111.06820	3.2
111.09184	0.9
111.81609	0.2
112.04751	0.2
112.08741	0.8
113.06015	0.2
113.07118	0.3
113.96395	7.0
114.06679	0.2
123.04393	0.2
124.07603	0.3
125.08339	0.6
125.31981	0.2
126.09142	3.0
127.03941	0.3
127.08641	0.2
130.96346	0.2
131.97421	8.8
136.07579	0.3
136.08662	0.5
137.06038	0.2
137.07063	0.4
137.09663	0.3
137.10667	0.3
138.05495	0.5
139.06270	3.7
139.07501	0.7
148.97331	0.5
149.97166	0.3
149.98470	0.2
153.06972	0.3
154.08612	100.0
154.99004	0.7
155.03337	0.6
155.07138	1.0
155.08986	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	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48480	0.4
52.79667	0.3
56.96559	14.4
57.97315	0.3
61.70173	0.4
70.68204	0.8
70.68595	0.7
71.95242	1.4
97.01707	0.4
98.97572	91.2
99.97894	0.6
110.15038	0.4
116.98606	100.0
117.98931	0.8
118.03516	1.1
118.06379	0.4
119.01914	0.7
132.07037	0.4
132.49744	0.9
134.03018	0.8
134.99641	76.1
136.00021	0.5
137.02994	0.4
138.55807	0.5
140.00189	3.0
141.50311	0.6
146.06680	1.7
153.00690	13.6
155.07155	0.9
157.01379	0.4
157.02684	0.4
158.01233	4.8
163.10359	0.4
176.02263	1.2
176.03984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.61214	0.3
56.96540	0.6
57.03443	0.6
57.07055	0.3
67.05495	2.5
69.63094	2.6
71.04958	0.5
72.04503	0.4
76.92900	0.7
76.93349	3.3
79.05479	2.2
81.07041	1.4
86.06055	0.4
87.29579	0.4
91.05470	9.6
92.37852	0.3
93.07039	0.8
94.94387	1.0
94.94964	0.4
95.08593	0.4
98.21504	0.3
100.07566	0.4
101.01563	0.3
102.09157	0.5
103.05434	0.8
105.07019	13.1
106.39764	0.4
113.02355	1.2
113.07237	0.3
114.05537	0.4
114.06642	0.5
114.09099	0.4
115.05433	2.8
116.06236	2.4
116.98557	0.5
117.07001	26.1
117.95962	2.9
118.07291	0.6
119.08562	6.1
121.06367	0.3
123.00761	0.3
126.36537	0.3
128.06200	1.2
129.06990	10.4
130.07790	8.6
131.08551	40.8
132.08916	2.0
134.99658	1.2
135.96992	3.0
141.01810	3.5
141.06985	0.3
142.07721	1.0
143.08545	0.6
144.05681	0.7
144.09328	16.2
145.09758	0.5
157.10107	2.8
158.98590	1.0
159.08038	6.1
159.11670	100.0
160.06052	0.5
160.11993	4.5
170.83749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.8
58.06585	0.3
59.06121	0.9
70.46209	1.3
75.22060	0.3
77.21216	0.3
82.99860	1.0
98.21437	0.3
98.97599	1.0
99.97909	0.6
100.02461	1.6
100.97182	0.9
100.97976	0.7
101.00861	12.6
111.04392	0.6
115.35506	0.3
116.05769	2.0
116.98609	1.5
117.98923	0.6
118.03506	5.6
118.98219	1.0
119.01907	100.0
119.08533	0.4
120.02008	2.9
120.03261	0.6
121.01614	0.9
124.02416	1.9
127.56544	0.6
131.04802	0.3
134.99641	1.4
136.00023	0.4
136.02721	1.5
136.04532	5.1
137.00089	1.1
137.02940	46.7
137.99831	0.5
138.03014	1.6
142.03481	52.6
143.03654	2.5
149.10492	0.4
160.04539	43.4
161.02965	2.7
161.04782	2.4
165.05057	2.1
178.05583	12.8
179.03981	4.8
179.05418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.1
57.00273	0.2
58.99855	0.3
59.46135	0.2
60.95838	0.4
64.53741	0.2
67.05498	0.3
69.28794	0.2
70.10275	0.6
74.24474	0.2
77.00858	0.2
82.99835	0.6
83.04965	0.3
91.05441	0.4
93.07016	0.4
96.50568	0.5
98.97570	2.8
99.97915	0.2
100.02448	0.6
100.97186	0.4
100.98031	0.2
101.00864	9.5
101.97199	0.3
102.00904	1.1
102.96851	1.2
103.00631	0.2
103.02415	1.0
104.02525	0.2
105.07006	0.6
105.51077	0.2
107.05241	0.9
111.04453	1.4
115.96989	0.4
116.05777	4.4
116.55827	0.6
116.98605	2.4
118.03503	0.6
118.47274	0.3
118.56097	0.3
119.01907	100.0
119.08483	0.3
119.98229	0.3
120.01986	8.3
120.97917	1.8
121.01643	1.4
121.02393	0.4
121.03461	0.6
124.97568	1.4
125.02505	0.2
125.06284	0.4
125.97463	0.2
127.47851	0.7
127.56551	0.6
129.04712	0.7
133.10152	0.3
133.98073	8.7
134.97954	0.7
134.99629	2.3
136.48349	3.7
137.02940	55.2
137.48225	0.3
138.03030	4.0
138.98918	1.5
139.02695	0.5
140.00206	0.2
142.03484	4.5
142.98611	1.7
143.01956	0.3
143.02333	0.2
143.03609	5.1
144.03229	1.6
145.48869	15.1
145.98956	0.2
146.48756	1.6
147.05028	0.4
147.48589	0.2
147.99167	0.3
149.00786	0.8
149.50899	0.2
153.00703	0.5
154.49384	3.6
155.49338	0.4
156.99673	1.7
158.01340	0.5
160.04521	1.9
161.02930	4.2
161.04637	4.4
161.09499	0.3
162.00456	0.3
162.03024	0.4
162.04256	1.5
165.06042	0.2
166.05054	0.3
179.03993	8.9
179.05585	1.3
180.04102	0.5
180.05472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91339	0.3
56.96562	1.4
59.50210	0.2
59.80452	0.2
60.95130	7.7
60.95836	0.4
61.95183	0.4
62.13199	0.2
67.05486	0.4
68.16705	0.3
71.60403	0.4
74.34332	0.2
78.96194	0.6
82.99811	0.6
83.04967	0.4
96.10098	0.2
96.97234	0.4
98.97573	1.7
100.02477	0.7
101.00864	10.0
101.97746	1.6
102.00933	1.2
102.96841	1.0
103.00632	0.3
103.02451	0.9
104.02551	0.2
107.05260	0.9
107.34541	0.2
111.04429	1.3
116.05756	2.0
116.55923	0.4
116.98630	1.5
118.03532	1.2
119.01907	100.0
119.98782	15.5
119.99664	0.4
120.01986	10.0
120.03201	0.4
120.97897	1.2
120.98840	0.6
121.01613	1.7
121.03499	0.5
124.02444	0.4
125.02615	0.3
127.56511	0.3
129.04684	0.6
133.98055	1.8
134.99637	1.6
136.04568	0.9
136.48344	0.5
137.02940	55.0
137.99817	26.5
138.03050	4.9
138.04204	0.6
138.05266	0.3
138.98911	1.2
138.99957	1.0
139.02608	0.5
139.03542	0.3
142.03487	3.7
142.98618	0.4
143.00374	0.6
143.01918	0.4
143.03603	4.7
144.03192	1.6
145.48871	4.5
145.49982	0.4
147.04979	0.5
153.00746	0.5
154.49399	0.9
156.00871	3.9
156.99742	0.6
160.04544	1.3
161.01428	1.4
161.02942	5.2
161.04652	3.6
162.03098	0.3
162.04298	1.0
179.03987	11.0
179.05524	0.5
180.04112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09363	0.4
55.05513	0.5
56.96558	1.8
60.95127	4.4
70.95490	1.4
77.87375	0.4
98.97565	1.3
100.02461	0.9
101.00855	8.1
101.52473	0.6
101.97747	0.8
102.00985	0.8
102.96873	0.6
103.02444	0.8
107.05272	0.9
109.52188	0.7
111.04455	1.0
116.05776	4.1
116.55923	1.0
116.98648	2.0
118.03495	1.4
119.01907	100.0
119.98790	11.6
120.01972	6.6
120.97884	1.2
120.98789	0.7
121.01628	0.9
121.03479	0.4
123.51914	1.6
125.51673	1.7
126.00849	0.7
127.56570	0.8
128.98611	0.4
129.04800	0.5
130.54068	0.5
133.01642	2.2
134.99657	1.6
137.02940	61.8
137.51624	1.4
137.99818	25.2
138.03020	4.4
138.98965	0.9
138.99982	0.7
139.02586	0.5
140.02267	0.7
142.03493	4.7
143.00314	0.9
143.01868	0.6
143.03607	5.4
144.03207	2.2
144.52469	2.3
145.02570	0.7
145.48891	1.6
146.52179	1.0
147.05045	0.6
153.00728	0.8
156.00891	3.3
156.01714	0.5
156.01994	0.8
158.03328	0.7
158.55367	0.5
160.04597	2.5
161.01430	2.3
161.02951	10.0
161.04645	3.4
161.09549	0.4
162.04243	1.0
177.00861	1.2
179.02588	0.8
179.03995	11.9
179.05467	0.7
184.04556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.78624	0.3
53.03937	1.3
55.01863	4.0
55.05499	1.1
56.05025	0.7
56.92722	0.3
59.06115	0.9
65.03942	0.5
65.77015	0.3
66.04710	0.9
67.05505	0.5
69.03396	1.0
69.07057	0.6
69.13686	0.4
70.06602	0.4
70.29259	1.5
74.06091	0.5
79.05486	16.3
80.05856	0.4
81.07050	1.6
84.04507	0.5
85.02911	0.4
85.07666	0.4
86.06026	0.6
87.05573	0.7
89.03941	0.5
90.04697	2.6
91.05476	6.3
92.02615	0.7
93.07028	1.0
95.04953	4.4
101.07141	0.5
102.04683	0.5
102.05469	0.3
103.05460	20.2
104.05761	0.6
105.04543	1.0
105.07021	100.0
106.07357	3.3
107.04947	2.4
107.08583	0.4
111.91303	0.4
113.07158	0.4
115.05448	25.5
116.05793	1.0
117.07008	1.6
118.04150	16.2
119.01911	0.6
119.08572	7.0
120.05628	0.8
120.08092	0.6
121.06398	1.9
128.06180	0.9
131.04936	4.0
131.08565	0.7
132.05684	1.0
133.06480	57.3
133.10107	7.1
134.05986	0.4
134.06885	2.6
143.04973	0.6
143.06029	4.0
143.08528	1.9
144.08109	0.4
145.06412	0.5
146.03653	0.7
146.07339	1.8
161.05969	18.3
161.08197	1.1
161.09584	14.1
161.13246	6.1
162.05334	0.6
162.06520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01852	0.6
55.05493	0.7
56.96545	0.3
57.79071	0.2
60.90460	0.2
62.20797	0.2
65.03912	0.2
67.05481	0.8
69.03420	6.7
69.07047	0.5
69.47038	0.8
69.47462	0.8
73.24261	0.2
77.03997	0.2
79.05489	1.6
81.07037	2.2
88.02169	0.3
91.05469	4.4
91.51577	0.2
93.07039	2.3
95.04939	0.5
103.05437	0.8
104.06165	0.2
105.07014	17.9
106.07352	0.5
107.04948	1.1
107.08594	0.5
109.06517	0.2
115.05443	1.7
117.06994	1.9
118.04173	0.2
118.07813	0.4
119.04942	0.3
119.08566	8.3
119.95724	0.2
120.05621	0.3
120.06535	0.2
120.08855	0.2
121.06440	0.9
128.06200	4.3
131.04895	0.7
131.08528	1.3
132.05698	1.0
133.06476	2.7
133.10109	8.7
134.10480	0.3
137.96790	0.4
141.07039	0.2
143.08539	6.4
143.09669	0.3
145.06458	2.6
146.03574	0.3
146.07245	4.7
159.08015	3.0
161.06038	2.8
161.09593	100.0
161.13219	8.0
162.05386	0.5
162.09944	4.9
162.13498	0.3
177.08458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47290	0.3
53.03927	0.8
55.01856	0.9
55.05488	1.5
59.78723	0.3
59.86452	0.4
61.06148	0.3
67.05497	1.8
69.03423	5.3
69.07042	1.4
71.24496	0.5
71.24834	0.7
79.05486	2.7
81.07049	3.7
82.06087	0.3
91.05476	10.0
93.07038	3.8
95.04982	0.6
95.08590	1.0
97.65002	0.3
103.05455	1.7
105.03367	0.7
105.07020	42.7
106.07339	1.3
107.04937	3.1
107.08584	0.7
115.05450	2.4
117.07014	3.2
118.04169	0.6
118.07823	0.3
119.04903	0.4
119.08569	19.0
120.08865	0.4
121.05629	0.7
121.06488	10.6
128.06219	5.2
131.04906	1.6
131.08517	1.9
132.05719	1.2
133.06477	3.9
133.10114	26.1
134.10429	1.1
143.08539	7.4
145.06479	1.9
146.03627	0.9
146.07256	17.5
147.07568	0.6
159.08102	0.7
161.06000	4.3
161.09601	100.0
161.13228	19.4
162.05495	0.8
162.09961	4.3
162.13583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01864	1.1
55.05504	11.6
56.54115	0.5
57.07063	0.5
57.45818	0.5
59.06111	0.7
64.78402	0.5
65.03951	0.8
67.05487	6.8
69.03429	1.1
69.07058	11.4
69.33518	0.5
70.16135	2.5
79.05485	8.7
81.07050	16.9
83.08628	0.7
84.04507	0.7
86.88688	0.5
87.05584	0.8
88.02208	0.6
89.79209	0.5
91.05471	27.1
92.05765	0.8
93.04539	0.8
93.07027	13.8
95.04974	1.6
95.08601	2.9
98.20744	0.5
98.21294	1.2
101.07163	0.5
103.05424	3.2
105.07016	94.9
106.07368	2.0
107.04969	0.9
107.08581	8.3
109.06493	0.6
115.05461	2.9
116.04961	0.7
116.05733	0.5
117.07014	8.1
118.04158	1.9
118.06541	3.6
118.07819	0.6
119.01904	1.1
119.08566	100.0
120.05587	1.6
120.08794	2.9
121.06399	2.5
121.10149	3.0
128.06206	1.6
129.06956	0.6
131.04929	0.9
131.08537	7.2
131.96329	0.5
132.09335	1.7
133.06500	4.4
133.10110	50.6
134.07101	1.8
134.10435	1.4
138.29010	0.5
143.08536	2.9
144.04459	0.6
144.09317	0.8
145.10081	1.1
146.03580	1.2
146.07246	1.7
146.10855	3.1
156.54857	0.5
159.11696	4.1
161.03046	0.5
161.05969	12.1
161.08192	2.4
161.09592	17.2
161.13237	79.9
162.05429	2.3
162.08920	0.6
162.10118	0.5
162.13640	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	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02375	0.5
55.05502	3.0
65.03915	1.0
67.05498	13.7
69.03410	0.9
69.07054	4.6
69.63059	4.9
77.03906	0.7
79.05483	20.6
79.93004	0.6
80.05846	0.7
81.07048	20.2
83.08601	1.0
91.05470	54.2
92.05763	1.3
93.06458	0.9
93.07033	15.8
95.04960	2.0
95.08595	9.5
98.20765	0.7
103.05466	1.0
105.07018	56.5
106.07333	1.3
107.04959	1.1
107.08600	3.7
115.05434	2.0
117.07004	22.3
119.08569	54.5
119.95690	0.8
120.08845	1.0
128.06197	2.7
131.08539	2.0
132.09323	0.7
133.06483	2.4
133.09097	1.6
133.10115	31.9
134.10422	1.2
143.08543	5.8
146.07256	1.2
159.11687	2.4
161.05971	4.5
161.09602	36.6
161.13235	100.0
162.05409	0.8
162.09962	1.7
162.13589	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03921	0.3
55.01878	0.3
55.05507	5.5
65.03934	0.2
67.05486	0.3
69.07062	1.5
71.63037	0.3
79.05494	1.7
81.07045	0.6
86.06085	0.1
91.05471	6.0
93.07034	1.1
95.04950	0.2
103.05458	1.4
104.06238	0.4
105.07021	14.0
106.07362	0.5
107.08591	1.3
115.05436	1.4
115.70914	0.2
117.07011	2.3
118.04151	1.4
118.07758	0.2
119.01895	0.3
119.08568	100.0
120.05608	0.2
120.08882	2.9
121.06366	0.5
121.10127	1.7
128.06149	0.3
129.06918	0.2
130.07817	0.2
131.04916	0.5
131.08556	1.7
132.09407	0.2
133.06502	1.8
133.10114	12.9
134.07034	0.3
134.10443	0.5
143.08521	0.3
146.03615	1.2
146.07294	0.5
146.10905	0.5
159.11665	0.6
161.05968	9.3
161.08142	0.2
161.09596	4.0
161.13242	16.2
162.06514	0.3
162.09103	0.3
162.13564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.5
53.03944	1.5
55.01883	0.5
63.02364	1.6
64.77940	0.4
70.56422	0.9
70.56805	1.2
77.18800	0.5
77.63472	0.5
79.05479	10.1
89.03905	60.7
90.04239	1.5
91.05487	0.5
95.04964	3.7
103.05437	0.9
107.04942	15.4
107.08595	0.7
114.13791	0.4
117.03364	52.7
118.03699	1.4
131.04906	0.7
133.02908	0.5
135.04398	97.5
136.04720	2.4
138.27664	0.4
145.02829	46.6
145.03818	1.6
146.03152	1.2
163.03885	100.0
164.04211	3.1
178.81367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03951	1.3
57.07056	0.7
59.00589	0.5
63.02359	1.1
69.03432	0.5
71.07568	0.7
71.07907	1.0
79.05485	9.3
79.05939	0.7
80.34497	0.5
89.03909	50.5
90.04212	0.6
91.05473	1.6
95.04959	3.6
95.06133	0.5
100.02460	0.5
105.03397	0.6
105.04494	0.6
107.04269	1.0
107.04949	12.2
109.93193	0.5
116.51619	0.5
117.03365	42.6
117.06996	1.1
118.03712	1.5
121.06593	0.5
123.07956	0.6
131.04913	1.0
132.08095	0.6
133.02838	1.1
135.04402	90.7
136.04732	2.6
145.02835	41.0
146.03159	1.5
146.07079	0.8
163.03886	100.0
163.09792	1.3
163.11060	0.8
164.04228	2.7
175.94550	0.5
181.02948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02378	0.5
53.03934	1.7
54.03460	0.3
55.01868	0.7
55.05497	1.4
55.58314	0.4
56.96552	0.6
57.03435	0.5
57.07061	1.4
67.05491	0.8
68.05011	0.9
69.03408	0.9
69.07051	1.9
71.04989	0.5
71.52814	0.6
73.14753	0.3
77.03886	0.7
79.01832	0.4
79.05482	5.8
81.03389	0.6
81.04520	1.3
81.07035	2.5
82.05319	0.6
83.04964	0.4
83.06081	0.6
83.08600	0.8
85.02892	0.4
87.05678	0.3
89.03893	2.5
89.06025	1.0
91.05466	4.6
92.02589	0.4
93.07031	5.7
95.04960	4.3
95.06061	1.6
95.08605	1.7
95.43916	0.3
97.07633	0.7
100.02464	4.1
103.05452	68.4
104.05779	2.1
105.03356	1.9
105.04496	0.9
105.07008	3.2
106.06529	0.5
107.04940	5.9
107.06081	0.5
107.08579	12.0
108.05584	0.7
109.06535	0.6
109.07610	0.7
115.05431	0.9
116.98577	0.5
117.03371	2.1
117.06982	3.1
118.03503	4.1
119.04938	0.7
119.06068	0.5
119.08563	1.9
120.05619	0.8
121.02856	1.3
121.06460	1.8
121.10130	5.6
122.07147	2.3
123.04025	0.6
123.07950	1.1
128.02327	0.6
130.06496	0.5
130.07776	1.2
131.04907	100.0
132.05220	3.4
132.08078	0.6
133.02820	2.8
135.04396	9.4
135.05394	0.8
135.08002	2.0
135.11690	3.2
136.04718	0.9
136.07732	0.5
136.08636	2.1
145.02872	1.7
145.03867	0.5
145.06441	1.8
145.10110	4.1
146.07124	0.6
148.05214	0.6
148.08778	0.6
162.67201	0.3
163.03886	34.3
163.07520	56.8
163.09763	4.1
163.11168	12.8
163.14786	5.0
164.04221	1.3
164.08029	2.2
164.11472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03936	1.0
55.05489	0.5
60.59867	0.3
67.05496	0.4
69.03420	1.0
69.07073	0.6
69.27057	0.4
71.13387	0.7
71.13731	0.4
77.03928	0.8
79.05488	2.5
81.03419	0.4
81.07046	1.1
89.03903	0.9
91.05466	1.7
92.02602	0.4
93.07030	2.2
95.04944	2.5
95.08614	0.6
98.20895	0.5
99.09033	0.3
100.02469	1.5
103.05457	71.8
104.05788	2.2
105.03390	0.8
105.07022	1.2
107.04933	2.5
107.08602	3.1
115.05463	0.5
117.03358	0.7
117.07023	1.5
118.03500	1.3
119.08587	0.6
121.02847	1.2
121.06522	0.4
121.10137	1.2
122.07101	0.5
131.04913	100.0
131.36166	0.4
132.05217	2.8
132.08052	0.6
133.02829	1.5
135.04405	3.0
135.08031	1.1
135.11676	1.1
136.08653	0.4
145.06429	0.6
145.10114	2.0
163.03894	22.6
163.07524	58.0
163.11107	5.8
163.14786	0.9
164.07901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01863	1.4
55.05509	23.5
57.03420	2.0
57.07071	52.2
67.05479	1.8
68.05031	1.2
69.03417	1.4
69.07052	2.0
69.81404	4.0
69.81816	4.1
72.24789	1.5
73.02898	2.1
78.05499	1.3
79.05488	9.8
81.07044	5.7
82.05279	1.5
83.08600	7.1
87.93359	1.2
89.03906	2.9
89.06027	43.2
91.05461	17.1
93.07029	10.7
95.04958	9.3
95.08611	2.5
100.02489	7.2
101.09639	9.9
103.05457	78.5
105.03370	4.8
105.04507	2.5
105.07007	8.4
107.04266	2.4
107.04948	29.6
107.07044	6.6
107.08585	16.3
108.05238	1.4
109.06466	1.4
110.01286	1.4
115.05466	3.1
117.03341	2.1
117.07001	13.3
118.03508	6.3
119.04912	11.8
119.08561	6.0
120.05598	1.3
121.06465	3.8
121.10100	7.5
122.07154	4.2
123.07979	1.9
128.02357	1.2
130.07764	1.2
131.04915	87.7
132.05267	2.7
133.02834	7.9
135.04411	13.8
135.08029	6.6
135.11685	6.0
136.07553	9.5
136.08572	2.3
137.01822	1.6
140.19803	1.4
145.06494	4.3
145.10121	8.2
146.07063	1.6
155.50484	1.3
158.39998	1.2
163.03893	100.0
163.07532	43.5
163.09792	7.8
163.11169	28.9
163.12479	1.9
163.14789	6.5
164.04321	2.8
169.03648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.88269	0.8
53.03927	3.0
54.03445	1.2
55.01868	1.0
55.05259	1.2
55.05504	13.1
56.96556	1.5
57.07073	5.7
65.03921	1.5
67.05499	4.4
68.05017	1.5
69.03406	2.9
69.07055	32.8
69.79480	5.8
70.07389	1.4
71.04982	1.1
73.02879	0.8
74.80961	0.9
77.03880	1.1
78.05666	0.8
79.02979	1.0
79.05478	18.1
81.03402	1.3
81.04522	3.0
81.07047	9.6
82.01440	1.0
82.05289	1.3
83.04955	1.0
83.08604	16.1
83.90874	0.8
85.02889	1.3
89.03888	3.4
89.06017	2.1
91.05465	16.2
92.05787	0.8
93.07029	35.2
94.07359	1.0
95.04954	10.3
95.06072	3.1
95.08587	8.8
96.06852	1.5
97.07663	1.4
97.61506	0.8
98.97642	0.9
100.02464	14.5
100.04120	0.9
103.05453	49.3
104.05789	2.0
105.03373	5.5
105.04491	2.5
105.07014	18.6
106.07294	1.2
107.04952	10.2
107.08576	95.0
108.05582	1.2
108.08853	2.5
108.09441	1.4
109.06509	3.8
109.07573	1.5
109.10130	2.8
114.40316	0.8
115.05421	1.6
116.98528	0.9
117.03369	2.4
117.07008	8.6
118.03510	12.1
119.04912	1.8
119.06030	0.9
119.08556	10.3
120.05590	1.3
121.06477	3.8
121.10124	100.0
122.07131	4.0
122.10448	2.7
123.04072	1.2
123.07996	5.3
127.45201	0.9
130.06508	1.5
130.07755	2.9
131.04910	66.1
132.05225	3.9
132.08026	1.5
133.02826	6.9
133.10123	1.1
135.04399	18.3
135.07985	4.7
135.11665	28.1
135.90012	0.9
136.07568	2.0
136.08652	2.2
136.12044	1.2
145.02823	2.3
145.03909	1.4
145.06480	3.5
145.10097	9.1
146.07161	1.7
148.05138	0.8
163.03882	67.3
163.07524	33.3
163.09766	9.2
163.11166	31.0
163.14801	43.0
163.16228	1.2
164.04279	2.9
164.08052	1.8
164.11557	1.7
164.15204	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	2.5
54.03464	1.6
55.01852	1.6
55.05500	8.3
56.96549	1.4
57.03420	1.4
57.07072	5.7
58.06592	0.9
63.02359	1.0
63.38684	0.7
65.03928	1.2
67.05488	2.8
68.05016	1.9
69.03420	2.7
69.07058	50.3
69.73702	1.6
69.74116	3.4
71.08604	0.9
73.02902	0.9
77.03911	1.0
77.47989	0.7
79.05482	26.8
80.04988	1.0
80.05790	0.7
81.03410	1.5
81.04530	3.3
81.07038	7.4
82.05314	1.7
83.06104	1.7
83.08608	9.1
85.02883	1.7
88.07615	0.7
89.03905	35.8
89.06006	1.8
90.04240	1.2
91.05468	19.2
92.02676	0.8
92.05769	0.7
93.07032	28.0
94.07410	1.0
95.04952	10.5
95.06046	3.7
95.08586	8.7
96.06821	1.6
97.07652	2.0
99.04469	1.3
100.02472	9.3
103.05452	28.3
104.05762	1.4
105.03378	4.5
105.04502	2.7
105.07018	14.4
107.04945	21.1
107.06089	2.8
107.08578	98.9
108.05562	2.6
108.08921	2.3
109.06505	4.7
109.07635	1.6
109.10149	2.3
114.92728	0.7
115.05412	2.1
117.03358	29.4
117.05495	1.6
117.06998	5.4
118.03525	8.8
119.04938	2.4
119.06046	2.6
119.06804	0.8
119.08559	8.1
120.05560	1.8
121.06506	4.0
121.10124	53.5
122.07148	7.7
122.10433	1.5
123.07970	6.4
128.02271	1.1
130.06549	1.0
130.07748	1.5
131.04909	36.3
132.05254	2.1
132.08070	1.3
133.02840	6.1
133.10126	1.8
134.10880	1.0
135.04399	79.9
135.08031	6.0
135.11667	22.4
136.04784	3.8
136.07561	2.8
136.08679	6.3
136.12039	0.9
137.09662	0.8
141.05095	0.8
143.08383	0.7
145.02835	23.7
145.03925	1.9
145.06447	3.1
145.07463	0.8
145.10095	8.3
146.03242	1.2
146.07127	3.2
148.05211	1.0
148.12476	1.0
163.03879	100.0
163.07527	19.9
163.09761	13.9
163.11153	12.0
163.12408	1.7
163.14799	44.6
164.04404	5.2
164.06972	1.8
164.08121	1.6
164.10504	1.0
164.15149	2.1
181.02834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	0.8
53.03937	3.0
54.03469	1.0
54.15793	0.5
55.01863	2.0
55.05503	7.1
55.17668	0.5
56.05016	1.1
56.96567	1.4
57.03418	0.8
57.07073	3.2
66.87482	0.5
67.05492	4.6
68.05029	1.4
69.03442	3.3
69.07058	21.2
70.07391	0.6
70.31075	0.6
70.71604	1.0
70.71939	1.1
71.04970	0.6
77.03908	1.0
79.05486	19.4
79.05949	1.0
80.05000	1.1
80.05808	0.7
81.03422	1.2
81.04537	2.0
81.06567	1.1
81.07048	20.4
82.01454	0.6
82.05304	1.5
82.06582	0.6
82.07378	1.2
83.04968	1.1
83.06094	0.9
83.08614	7.5
85.02901	2.6
89.03908	5.0
89.06024	1.4
91.05467	18.5
92.02591	0.8
93.07032	37.3
94.07379	1.0
95.04965	10.0
95.06060	3.6
95.08595	14.5
96.06915	0.9
96.08907	0.6
97.02940	0.6
97.07639	1.5
100.02472	10.9
103.05455	51.8
104.05798	2.2
105.03394	3.5
105.04504	2.0
105.07016	16.0
106.06591	0.7
106.07302	0.9
107.04939	11.9
107.06087	1.5
107.08582	100.0
108.05600	2.6
108.08849	2.8
109.06507	4.7
109.07635	1.8
109.10140	1.5
112.57109	0.6
115.05466	2.4
116.04974	2.4
116.98601	1.0
117.03391	4.1
117.05726	1.2
117.06994	7.8
118.03510	11.1
119.04949	1.0
119.06068	1.4
119.08570	10.5
120.05614	1.9
121.06513	4.1
121.10125	57.0
122.07138	7.7
122.10463	2.1
123.04058	1.3
123.07950	4.8
127.07520	1.3
130.06491	0.7
130.07785	2.4
131.04912	69.6
132.05235	3.2
132.08118	1.1
133.02849	5.6
133.06456	1.2
133.10039	0.8
135.04398	18.4
135.08040	8.6
135.11667	24.6
136.04732	1.3
136.07568	1.8
136.08681	4.8
136.12001	1.0
141.05070	1.3
143.08592	0.8
145.02806	3.4
145.06477	3.3
145.10100	11.8
146.07097	1.8
146.10480	0.6
147.04440	0.6
147.08025	0.7
148.05177	0.8
148.08827	0.8
148.93289	0.5
163.03886	43.6
163.07529	36.0
163.09779	8.9
163.11174	25.3
163.12250	1.3
163.14799	46.2
164.04288	2.0
164.06923	7.0
164.08307	0.9
164.11612	1.5
164.15131	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02365	0.7
53.03939	3.0
54.03460	0.7
55.01856	1.8
55.05505	10.1
56.96548	1.1
57.03431	1.5
57.07063	4.8
65.03925	1.7
67.05493	2.9
68.04997	0.8
69.03409	2.5
69.07059	27.3
69.68756	5.3
70.07398	0.9
71.04989	1.0
72.08161	0.9
73.02883	0.9
77.03912	1.3
79.05482	18.6
80.05038	1.0
81.03404	1.1
81.04537	2.1
81.07047	8.8
82.01449	1.0
82.05314	1.7
83.04951	0.8
83.08608	11.4
85.02898	1.7
89.03909	6.3
89.06030	1.6
91.05470	15.3
92.02600	0.8
93.07032	32.5
95.04961	12.2
95.06064	2.5
95.08589	10.1
96.06869	0.8
97.07674	1.3
99.04433	1.3
100.02469	17.8
103.05455	72.0
104.05763	3.4
105.03374	4.9
105.04499	2.2
105.07017	16.8
107.04943	14.3
107.08582	80.1
108.05590	1.3
108.09464	3.3
109.06498	3.3
109.07662	0.9
109.10156	2.1
115.05463	1.4
116.24706	0.6
117.03381	4.3
117.06999	6.8
118.03505	15.8
118.06555	0.7
119.04943	2.1
119.06059	2.0
119.08566	9.9
120.05625	2.0
121.02868	1.7
121.06496	4.3
121.10128	76.2
122.07151	4.4
122.10470	2.1
123.04075	1.9
123.08043	4.2
127.03851	1.0
128.02318	1.5
130.06465	0.9
130.07779	2.1
131.04910	100.0
132.05234	5.5
132.08104	2.2
133.02840	8.9
133.06465	0.7
133.10060	1.1
134.03183	1.2
135.04401	21.6
135.08005	5.2
135.11674	28.5
136.04745	1.4
136.07600	1.1
136.08675	2.2
139.53094	0.9
141.05022	1.8
145.02812	3.6
145.03960	1.8
145.05008	1.0
145.06433	3.4
145.10103	8.7
146.07057	1.6
146.10443	0.7
147.07990	1.2
148.05113	0.7
148.08833	1.3
163.03885	87.7
163.07524	52.2
163.09772	7.4
163.11163	39.6
163.12268	1.7
163.14796	39.6
164.03204	1.6
164.04466	3.9
164.06764	1.2
164.07962	2.7
164.11520	2.2
164.15196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.9
57.10490	0.1
58.72970	0.1
58.99818	0.3
60.00648	0.2
63.73423	0.1
65.01187	0.1
70.66206	0.2
77.00897	0.1
79.05469	0.1
81.76186	0.1
82.01422	1.6
82.99788	1.0
83.02224	0.1
91.05444	0.1
95.08540	0.1
100.02466	11.8
101.00858	14.5
101.02529	0.6
102.02888	0.1
105.07007	0.2
109.00564	0.1
117.06975	0.1
118.03508	8.3
119.01899	100.0
120.02412	0.1
121.02328	0.5
123.04010	0.7
124.02414	3.5
133.03444	0.1
136.04546	0.6
137.02931	40.7
139.03352	0.2
139.05769	0.1
140.06711	0.1
141.03989	0.1
141.05052	1.0
142.03474	80.2
143.03923	0.1
143.08533	0.1
144.03885	0.2
145.10097	0.2
152.05820	0.1
153.05501	0.1
156.05023	0.1
159.04993	0.1
159.06151	0.4
160.04527	32.1
162.04996	0.1
162.06207	0.2
165.05074	3.6
166.05412	0.1
170.06598	0.1
173.09584	0.1
183.06119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46792	0.3
56.96547	1.5
57.03441	0.5
61.02892	0.4
66.70964	0.4
69.03416	0.6
69.81623	2.2
69.82037	0.7
74.38623	0.4
77.00921	0.4
82.01397	0.6
82.99841	1.3
100.02472	2.1
101.00862	13.3
101.02561	1.3
101.97697	0.4
102.00971	0.5
103.05877	0.4
105.57178	0.4
108.86465	0.4
118.03506	1.0
119.01906	100.0
120.01999	3.8
120.03211	0.5
124.02408	4.7
133.03368	0.5
133.04257	0.6
137.02942	39.6
138.03041	1.8
142.03484	88.5
143.03629	3.5
145.10129	0.4
151.76453	0.4
160.04541	36.6
161.03082	0.6
161.04674	1.7
162.90236	0.4
165.05058	3.6
178.12338	0.4
183.06155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.73989	0.3
51.57203	0.2
51.65790	0.2
53.03951	0.3
55.01863	0.3
55.05508	0.9
56.05036	0.3
56.96564	1.1
59.05029	0.2
59.06128	0.3
65.03938	0.9
67.05494	1.1
68.05032	0.7
69.03432	0.7
69.07064	0.5
70.06577	1.0
70.18564	1.1
79.05487	1.3
80.05023	0.4
81.03395	0.5
81.04536	0.6
81.07043	2.9
82.06564	0.3
83.04977	0.7
83.06091	1.2
84.69799	0.3
85.07656	0.5
91.05471	19.2
92.05798	0.4
93.07014	1.5
93.64963	0.3
95.04958	1.9
95.06076	0.6
95.08597	1.9
97.07663	0.3
98.07178	0.4
98.20770	0.3
100.02520	0.3
101.00848	1.4
101.02581	0.5
103.05464	0.4
105.04523	0.3
105.07030	4.1
107.04961	0.4
107.06073	0.8
107.08585	2.4
109.06518	1.4
109.07646	0.7
109.10111	1.2
110.07193	0.3
111.09185	0.3
117.07004	0.5
119.01911	14.6
119.04934	38.3
119.08562	4.6
120.02058	0.5
120.05224	1.3
121.07680	0.5
121.10131	2.0
122.07150	1.1
123.04449	1.9
123.08061	2.1
123.11652	1.0
124.02426	0.8
124.08661	1.3
125.09470	0.5
133.02863	0.5
133.06467	0.8
137.02951	7.1
137.05965	1.8
137.06883	0.3
137.09593	2.4
137.13239	0.6
138.03094	0.4
138.10266	0.3
142.03490	13.1
143.03627	0.3
145.10109	0.3
147.04395	100.0
147.11679	2.5
148.04710	3.0
148.08679	0.9
152.17677	0.3
160.04533	5.6
160.05754	0.5
161.04674	0.4
165.01790	0.4
165.05496	3.5
165.06873	0.5
165.07851	0.4
165.09088	2.7
165.11357	1.8
165.12770	2.4
166.04977	0.6
166.85289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05272	0.2
56.05027	0.4
56.96560	0.8
65.03928	1.0
67.05502	0.5
68.05026	0.9
69.03422	0.2
70.06584	0.4
70.09092	0.7
70.09513	0.6
79.05478	0.3
81.04536	0.3
81.07039	0.7
82.06587	0.3
83.04986	0.3
83.06091	1.6
83.61810	0.3
85.07652	0.5
91.05472	17.5
92.05789	0.6
93.07047	0.8
95.04932	1.5
95.06080	0.4
95.08592	0.6
97.07636	0.6
98.07213	0.6
98.20602	0.2
98.21176	0.5
101.00869	1.6
105.04483	0.3
105.07022	0.7
107.06046	0.6
107.08607	0.3
109.06452	0.5
109.07643	0.7
110.07114	0.3
119.01917	14.6
119.04928	41.0
119.08534	1.3
120.05281	1.0
121.07619	0.6
121.10177	0.3
122.07133	0.7
123.04406	1.7
123.07946	0.3
124.02444	0.7
124.08686	0.9
125.09486	0.6
127.61245	0.3
133.02843	0.3
137.02940	6.8
137.05968	0.9
137.09581	0.6
138.10208	0.6
142.03487	12.0
142.96747	0.2
143.03683	0.3
147.04393	100.0
148.04732	3.2
148.08667	1.1
160.04539	5.3
165.01849	0.4
165.05486	3.2
165.09100	1.8
165.11360	1.5
165.12636	0.5
166.09828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03934	0.2
55.01867	0.3
56.05017	0.4
56.96560	0.7
60.08735	0.2
65.03918	1.2
67.05499	0.6
68.05024	0.4
69.03423	0.3
70.06575	0.3
70.89003	0.3
70.89333	0.5
75.54427	0.2
79.05485	0.5
80.05019	0.2
81.04542	0.2
81.06435	0.2
81.07039	0.5
82.06568	0.3
83.06117	0.5
85.07648	0.3
85.43427	0.2
85.48062	0.2
91.05476	19.9
92.05802	0.3
93.07043	0.4
95.04958	1.3
95.08631	0.5
97.07610	0.3
101.00886	0.7
103.05432	0.4
105.07024	0.4
107.04955	0.3
107.06039	0.2
107.08600	0.3
109.07629	0.5
109.10151	0.9
117.07028	0.4
119.01924	7.9
119.04935	43.9
119.08557	1.3
120.05248	1.0
121.06512	0.2
122.07204	0.7
123.04450	1.7
123.08067	0.5
124.08722	0.6
125.09501	0.5
133.02800	0.2
137.02956	3.0
137.05933	1.1
137.09590	0.6
138.10258	0.4
142.03493	6.0
143.03706	0.3
147.04399	100.0
148.04742	2.8
148.08684	0.6
160.04565	2.5
165.05479	3.0
165.06902	0.4
165.09120	3.8
165.11360	1.3
165.12674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
54.03448	0.4
55.01848	0.5
55.05487	0.4
56.05008	1.2
56.96568	1.7
58.06570	0.4
59.06104	0.5
65.03926	0.9
67.05480	1.5
68.05022	1.6
69.03432	1.4
69.04537	0.4
70.06583	1.4
70.75210	0.4
70.75542	0.5
73.45564	0.3
77.00606	1.1
79.02966	0.3
79.05471	1.5
80.05003	0.7
81.03400	0.5
81.04522	1.0
81.07030	1.4
82.06552	1.1
82.99805	0.3
83.04967	0.4
83.06089	3.0
85.07653	1.1
86.06074	0.3
91.05470	20.1
92.05785	0.6
93.07030	1.1
94.03230	0.3
94.06588	0.5
95.04946	2.9
95.06066	1.0
95.08573	1.5
97.07623	1.1
98.07168	0.6
100.02489	0.4
101.00867	3.1
102.00900	0.3
105.03390	0.7
105.07021	4.5
107.04942	0.5
107.06039	1.7
107.08539	0.9
109.02843	0.4
109.06488	1.6
109.07618	1.6
109.10149	0.9
110.07205	0.8
111.09212	0.9
118.03487	0.6
119.01912	35.1
119.04928	43.3
119.08569	3.9
120.01987	1.5
120.03275	0.6
120.05285	1.1
120.08060	0.4
121.07605	1.2
121.10119	0.5
122.07160	2.1
123.04416	6.0
123.08007	1.2
123.11698	0.3
124.02482	1.1
124.08699	2.2
125.09511	1.7
133.02827	0.9
133.06464	3.2
133.50056	0.3
136.08633	0.4
137.02945	17.7
137.04965	0.6
137.05959	7.3
137.07024	0.5
137.09618	1.4
138.03056	1.1
138.06598	0.6
138.09314	0.3
138.10234	1.4
142.03485	29.1
142.96736	0.5
143.03633	1.3
145.10098	0.6
147.04395	100.0
147.08005	1.8
147.11676	0.9
148.04771	3.0
148.07619	0.5
148.08658	2.2
160.04539	13.0
161.04744	0.4
165.01843	0.8
165.05461	14.6
165.06723	0.6
165.09102	4.9
165.11371	4.1
165.12688	0.7
166.05928	0.3
183.06166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03923	2.0
55.01847	1.1
55.05498	4.9
56.05013	1.6
56.96540	1.0
57.03427	4.2
57.07072	4.8
58.06573	0.7
59.04992	3.7
65.03904	2.0
67.05494	25.8
68.05005	2.2
69.03424	8.3
69.06727	0.6
69.07059	8.1
70.06567	2.6
71.04955	1.9
76.96763	0.6
79.05484	13.6
80.04986	1.0
81.03394	2.6
81.04507	1.1
81.07043	26.2
82.06567	1.2
82.07370	0.9
83.04953	1.9
83.06081	3.3
83.08592	2.9
85.06491	0.9
85.07635	1.1
91.05469	20.1
92.05768	1.0
93.07030	8.4
94.07375	0.7
95.04953	44.2
95.08588	28.2
96.05273	1.2
97.06413	0.8
97.07614	2.0
98.07117	1.5
101.00863	2.6
101.02534	1.3
101.38660	0.6
102.02198	0.7
103.05461	1.1
104.09889	0.7
105.07013	19.6
107.04945	4.3
107.06052	2.2
107.08578	47.9
108.05718	1.3
108.08911	2.2
109.06503	25.1
109.07644	2.0
109.10129	5.4
110.07215	2.4
117.07012	3.4
119.01906	32.2
119.04224	0.8
119.04939	9.8
119.08559	37.1
120.02000	2.1
120.05306	0.7
120.08046	1.7
120.08857	1.5
121.06474	1.0
121.07592	1.1
121.10128	11.5
122.07132	3.2
123.04377	2.0
123.08045	36.9
123.11687	32.3
124.02397	1.4
124.05147	1.0
124.08726	4.4
124.12009	1.5
125.09460	1.5
128.06306	0.8
129.06972	2.4
132.05685	3.1
133.02811	1.8
133.06490	4.5
135.11678	1.0
136.08751	1.3
136.12080	0.8
137.01942	1.1
137.02940	15.6
137.05934	4.8
137.09593	6.7
137.12331	1.9
137.13223	6.7
138.03075	1.4
138.10216	2.3
141.09038	1.3
142.03474	28.9
142.96715	1.1
143.03622	3.1
147.04395	22.0
147.06920	1.3
147.08025	21.5
147.11661	12.7
148.04753	1.7
148.08655	4.5
150.10341	0.8
160.04520	10.6
161.04619	0.9
163.38629	0.7
165.01743	1.0
165.05577	3.6
165.06606	1.0
165.09088	12.3
165.11424	5.9
165.12717	100.0
166.04929	1.2
166.09700	1.4
166.13097	4.9
183.06027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	0.9
54.48133	0.5
55.01872	2.1
55.05504	4.8
55.68268	0.5
56.05032	1.1
56.96568	1.3
57.03426	1.8
57.07074	2.2
59.05002	0.6
59.06128	0.7
65.03943	1.1
67.05492	12.2
68.99799	0.8
69.03415	4.0
69.07066	3.2
69.82427	3.2
70.06583	1.4
71.04991	0.9
71.08640	0.6
79.05482	8.0
80.05009	0.9
81.03402	1.8
81.07050	16.1
82.06602	0.9
83.04982	2.8
83.06090	1.3
83.08611	1.5
85.02905	0.9
85.06529	0.6
91.05476	13.6
93.07034	10.8
95.04955	7.6
95.08597	12.6
97.06503	0.9
97.07656	1.0
100.02470	1.8
101.00877	2.9
101.02580	2.1
102.02227	1.3
103.05473	1.4
105.07021	12.3
105.07671	1.0
106.07286	0.8
107.04939	1.9
107.06065	1.5
107.08577	13.4
109.02815	0.6
109.05769	1.0
109.06509	16.5
109.07638	0.9
109.10149	11.5
110.07223	0.9
111.09202	0.6
117.07008	1.3
118.03513	1.5
119.01908	36.9
119.03632	2.3
119.04922	8.1
119.08566	21.2
120.02014	3.2
120.03296	1.6
120.08095	0.7
120.08880	0.8
121.06501	1.7
121.07583	0.6
121.10127	18.0
122.07253	8.2
123.04411	2.5
123.08064	12.9
123.09139	0.6
123.11687	4.9
124.02438	0.9
124.08701	2.5
129.06956	0.7
133.02850	1.4
133.06488	1.5
135.08063	1.2
137.02954	20.4
137.06006	3.8
137.09598	100.0
137.13110	2.5
137.98326	0.9
138.03023	1.2
138.05489	0.5
138.09946	4.1
142.03481	32.2
142.96643	1.3
143.03664	2.5
147.03203	0.9
147.04390	17.0
147.08032	3.5
147.11682	9.2
148.04803	1.3
148.08643	2.1
150.10371	2.9
160.04535	14.5
161.04654	2.0
165.01807	1.5
165.05391	5.8
165.07869	1.1
165.09093	34.0
165.11417	2.6
165.12721	45.2
166.05115	1.6
166.09515	0.8
166.13104	2.3
183.06224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	0.7
55.01890	1.2
55.05500	2.3
56.96582	1.0
57.03434	2.1
57.07085	1.4
58.64132	0.5
65.03952	0.6
67.05492	8.8
67.05812	0.6
68.05016	0.6
69.03417	2.2
69.04540	0.5
69.07058	2.9
70.06599	1.0
70.96922	1.2
71.04994	0.9
71.08637	1.1
76.24773	0.5
79.05481	4.8
81.03422	1.4
81.04532	0.7
81.07050	12.0
82.06604	0.6
82.99827	0.6
83.04980	2.0
83.06116	1.7
83.08630	1.6
83.93062	0.6
91.05471	9.2
91.05999	0.7
92.01395	0.5
93.07033	10.2
94.63137	0.5
95.04964	6.2
95.06111	0.5
95.08596	9.7
97.06568	0.7
97.07655	1.3
97.34516	0.4
100.02482	1.3
101.00858	2.9
101.02579	1.9
102.02259	1.1
103.05484	0.8
105.07021	9.7
107.04940	0.9
107.06091	1.3
107.08585	9.5
109.02878	0.6
109.06508	15.4
109.07661	1.0
109.10144	8.8
111.09202	1.2
117.07031	1.3
118.03514	1.1
119.01909	30.5
119.03645	1.4
119.04913	3.8
119.08562	17.7
120.02030	1.9
120.03260	0.8
120.08886	0.8
121.06470	1.3
121.07681	0.4
121.10130	18.8
122.07252	7.8
122.10505	1.4
123.04415	1.3
123.08060	9.3
123.11684	4.5
124.02498	0.6
124.05177	0.7
124.08684	2.6
125.09509	0.6
133.02872	1.3
133.06450	0.8
135.08054	2.0
137.02957	16.1
137.06000	2.8
137.09599	100.0
137.13211	1.8
137.98347	0.7
138.03059	0.8
138.06633	0.6
138.09981	3.3
142.03487	23.3
142.96657	0.8
143.03659	2.2
145.10107	0.7
147.04387	7.9
147.08066	2.2
147.11673	6.0
148.08678	1.8
150.10378	3.3
160.04539	10.9
161.04704	1.1
165.01814	1.3
165.05370	3.4
165.07751	1.3
165.09061	5.3
165.11433	2.7
165.12727	40.8
166.04919	1.0
166.09666	0.7
166.13063	1.3
174.55339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02367	0.3
52.33855	0.2
53.03924	0.9
55.01863	0.4
55.05498	0.6
56.96535	0.2
57.03431	0.3
57.07045	0.2
59.04982	0.3
65.03923	0.5
66.04711	0.5
67.05511	1.5
68.05046	0.3
69.03396	0.3
69.07056	1.1
70.19283	0.5
71.04970	0.5
73.29849	0.2
77.03902	0.3
78.04704	11.3
79.05087	0.3
79.05486	5.2
79.64825	0.2
81.03386	0.9
81.07050	1.7
83.04963	0.6
83.06100	0.3
83.08607	0.5
84.96001	0.3
85.02906	0.2
91.05465	1.3
93.03373	0.6
93.07043	2.1
93.72427	0.2
94.04173	0.8
95.04957	3.1
95.08595	1.5
96.05726	0.9
97.02850	0.3
97.06503	0.8
98.20757	0.3
103.00608	0.3
105.03381	1.4
105.04503	0.3
105.07005	0.6
106.04166	4.3
107.04276	0.3
107.04949	3.2
107.08581	3.4
109.02850	1.2
109.06503	1.3
109.07629	0.6
109.10127	1.1
111.04448	0.3
111.08054	0.9
111.09185	0.3
120.02051	0.2
121.01649	1.9
121.02876	0.5
121.06511	0.8
121.10132	3.0
122.03648	1.2
122.07133	0.5
123.04417	21.3
123.08041	0.7
123.11703	0.9
124.05217	8.3
124.08694	0.3
125.05936	0.8
125.08195	0.4
125.09586	0.5
131.08554	0.3
134.03609	1.1
135.04388	0.8
137.02371	0.3
137.05977	1.1
138.03094	0.4
139.02696	0.8
139.07549	0.7
139.11113	0.3
144.03227	1.7
149.02307	1.0
149.05975	0.6
149.09598	0.7
149.13222	0.8
150.09157	0.4
150.10258	0.7
151.03886	3.7
152.04668	5.1
152.06030	0.3
162.04286	0.7
165.05588	0.2
167.07024	100.0
167.10556	1.8
167.14288	0.9
168.04149	0.6
168.07387	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	167.0701
Annotation	MTHPA
Peak:m/z	Relative Intensity
53.03939	1.5
55.01865	1.2
55.05491	0.9
56.05017	0.6
56.96547	0.3
57.03392	0.3
59.04992	0.2
59.06103	0.6
65.03933	0.6
67.05489	1.0
68.05001	0.6
68.99770	0.4
69.03413	0.6
69.04542	0.3
69.07049	0.6
70.06579	1.2
70.85825	0.2
70.86158	0.5
71.07349	0.3
72.08129	0.7
73.02903	0.3
77.03887	0.4
78.04705	2.1
79.05481	11.4
81.03397	0.4
81.04515	0.4
81.07053	2.9
82.06575	0.7
83.04967	1.0
83.06084	0.9
84.04489	0.2
84.08131	0.6
84.96006	0.3
85.02911	0.3
85.07660	0.6
91.05473	7.9
93.03368	0.3
93.07034	12.7
94.06544	0.4
94.07359	0.3
95.04958	5.1
95.08593	0.6
97.02855	0.3
97.06529	1.4
97.07619	0.7
98.97634	0.3
100.36301	0.3
103.00636	0.4
103.05437	1.0
103.10832	0.2
105.03369	0.4
105.04465	0.4
105.07019	1.0
106.04148	1.0
107.04934	1.4
107.06040	0.4
107.08597	1.9
109.06490	0.7
109.07612	2.7
110.07156	0.6
110.08407	1.3
111.04412	0.7
111.08047	0.7
111.09189	1.8
121.01643	3.2
121.02892	2.2
121.06480	9.6
121.10108	2.0
122.03677	0.3
122.05962	0.3
122.07027	0.9
123.04422	4.1
123.08048	1.0
123.09174	0.5
123.11722	0.3
124.05157	1.1
124.08688	0.9
125.05975	0.7
125.07130	0.3
125.08221	0.5
125.09602	0.5
126.10196	0.3
131.08636	0.3
135.04369	0.2
137.05849	0.3
138.10208	0.2
139.02678	1.8
139.03871	0.8
139.07541	1.3
139.11118	0.3
144.03220	2.6
147.04366	0.3
149.02312	1.0
149.05009	0.4
149.05968	2.5
149.08461	0.3
149.09564	1.1
150.05496	0.3
150.06589	0.4
150.10220	2.8
151.03864	0.6
152.04648	1.1
162.04259	1.2
167.07018	100.0
167.12810	1.1
168.07433	2.6
168.11223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02369	0.2
52.03159	0.2
53.03929	0.8
54.71515	0.2
55.01863	0.6
55.05497	0.8
56.96549	0.4
57.03428	0.4
57.07066	0.3
59.04972	0.2
59.77778	0.2
65.03922	0.5
66.04704	0.7
67.05499	1.2
67.19230	0.1
68.99773	0.2
69.03412	0.3
69.07067	1.0
70.06572	0.3
70.32170	0.4
70.32573	0.2
71.04970	0.5
72.08147	0.2
77.03919	0.3
78.04705	10.4
79.05054	0.4
79.05487	5.2
79.05946	0.3
81.03404	0.6
81.04509	0.2
81.07053	2.2
82.06571	0.2
83.04972	0.6
83.08609	0.3
85.02885	0.3
85.06551	0.2
91.05473	1.4
92.02595	0.2
93.03385	0.6
93.07031	3.0
94.04179	0.7
95.04960	3.0
95.08607	1.0
96.05737	0.8
97.02888	0.3
97.06530	0.8
97.07637	0.2
98.20869	0.2
105.03390	1.2
105.04485	0.2
105.07011	0.6
106.04162	4.0
107.04278	0.2
107.04955	3.3
107.08591	3.2
109.02872	1.6
109.06514	1.3
109.07637	0.6
109.10152	0.6
110.03679	0.2
110.07178	0.2
110.08431	0.4
111.04421	0.6
111.08085	0.8
111.09218	0.4
119.08518	0.2
120.02070	0.3
121.01662	2.1
121.02867	0.5
121.06492	1.0
121.10136	2.9
122.03657	1.4
122.07121	0.4
123.04422	19.9
123.08043	0.6
123.11661	0.9
124.05224	7.1
125.06047	0.8
125.08224	0.6
125.09623	0.5
126.05392	0.2
131.08571	0.4
134.03625	1.0
135.04410	0.7
137.05956	0.8
138.03122	0.5
139.02692	1.4
139.03708	0.3
139.07521	0.5
144.03221	2.3
144.06203	0.3
149.02385	1.1
149.05978	0.4
149.09595	0.8
149.13297	0.8
150.06606	0.2
150.10275	0.6
151.03888	4.4
152.04680	4.9
152.06020	0.3
153.05098	0.2
162.04237	0.9
165.05380	0.2
167.03458	2.0
167.07025	100.0
167.10614	1.7
167.14241	1.0
168.02814	0.3
168.04135	0.4
168.07356	3.3
168.11378	0.2
168.75121	0.2
183.02954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02382	0.5
53.03932	1.8
55.01859	0.8
55.05511	2.3
57.03429	2.6
59.05006	0.5
59.06096	0.8
65.03935	0.5
67.05499	2.9
68.05020	0.6
69.03429	0.9
69.07066	1.9
70.06578	0.5
71.04977	1.4
71.15690	0.9
73.06549	0.4
75.04473	8.2
77.03892	0.8
78.04713	1.8
79.05485	8.6
80.04993	0.4
81.03403	0.8
81.07049	7.5
81.15129	0.4
82.06552	0.5
83.04971	1.8
83.06100	0.8
83.08615	1.1
84.96037	0.8
85.02917	0.4
85.06564	0.4
85.07680	0.4
91.05473	11.8
93.07036	100.0
94.07357	1.9
95.04959	5.5
95.08596	5.1
97.06507	1.8
97.07656	0.5
103.05454	0.6
105.04519	0.5
105.07014	6.4
106.04161	0.6
106.07827	0.5
107.04932	1.9
107.08582	8.7
109.06529	2.2
109.07603	2.3
109.10156	1.3
110.07162	0.6
110.08430	0.9
111.04435	1.4
111.08070	18.2
111.09247	0.8
119.08591	1.4
121.01656	3.3
121.02866	0.5
121.06501	1.3
121.10134	57.8
122.07156	1.0
122.10497	1.9
123.04426	2.8
123.08048	2.4
123.11699	1.6
124.05186	1.1
125.06013	2.0
125.08241	1.0
125.09673	0.6
126.05560	0.4
126.06563	0.7
131.08549	1.7
133.07542	0.5
135.04356	0.5
137.05894	0.4
139.02695	1.3
139.03815	0.4
139.07594	0.5
139.11156	2.1
144.03212	2.5
149.02368	1.0
149.06029	0.8
149.09624	6.8
149.13257	1.1
150.05499	0.4
150.10263	2.2
151.03886	0.6
152.04692	0.8
152.06178	0.7
152.80603	0.3
162.04321	1.0
167.03380	0.8
167.07045	16.3
167.08504	1.5
167.09364	0.6
167.10649	7.9
167.12947	0.8
167.14333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01864	2.0
55.05504	29.4
56.05024	2.4
56.96553	0.8
57.03432	1.9
57.07065	1.6
58.69635	0.4
59.04996	3.6
59.06115	3.5
65.03922	1.0
67.05165	0.5
67.05501	7.6
68.05026	3.4
69.03421	8.4
69.04565	0.8
69.07062	6.1
70.06583	25.1
71.04978	1.7
71.06099	0.6
71.07350	0.8
71.08611	0.4
71.60930	0.7
72.08135	1.6
75.04465	1.3
77.03928	0.5
78.04712	2.6
79.05483	13.6
80.04999	1.1
80.05794	0.5
81.03407	1.8
81.04535	1.6
81.07050	10.8
82.06578	3.9
83.04972	31.4
83.06061	4.1
83.08607	15.1
84.04472	0.7
84.08143	2.8
85.02922	0.6
85.04033	0.4
85.06541	3.4
85.07643	2.4
91.05470	14.9
93.07033	46.5
94.04181	0.6
94.06588	2.0
94.07359	1.2
95.04958	6.1
95.06091	1.6
95.08595	5.4
96.04545	0.6
96.05677	0.7
97.02895	0.8
97.06515	4.0
97.07626	2.5
97.10159	4.3
98.07211	1.0
98.08421	0.6
98.09680	0.6
99.08098	1.3
99.09200	0.7
102.02228	0.6
103.00616	0.7
103.05444	2.1
105.04529	0.6
105.07018	19.3
106.04162	1.2
106.07852	0.8
107.04947	4.0
107.06054	1.0
107.08582	20.7
108.04451	0.8
108.05602	0.8
108.08881	0.6
109.02869	1.4
109.06511	4.9
109.07627	10.7
109.10136	8.3
110.06034	0.9
110.07171	1.7
110.08421	4.0
111.04430	2.6
111.08068	44.9
111.09169	5.4
112.08949	2.2
113.09614	1.2
119.08567	3.6
120.01974	0.8
121.01648	8.8
121.02884	1.1
121.06503	3.0
121.10127	100.0
122.06071	0.8
122.07138	3.7
122.09676	0.7
122.10471	4.0
123.04412	6.1
123.05360	0.6
123.08056	6.9
123.09167	2.2
123.11707	4.2
124.05200	1.9
124.08696	3.3
125.06013	2.1
125.07159	1.0
125.08209	1.2
125.09618	5.8
126.05524	0.5
126.06654	0.8
126.10289	1.3
127.03981	0.5
127.07419	1.6
131.08553	1.6
133.07619	2.0
133.08496	0.4
134.05988	0.4
135.04411	1.1
137.06056	0.6
137.08234	0.7
138.06735	0.5
138.10280	1.2
139.02702	5.3
139.03867	2.1
139.07532	1.2
139.11172	1.6
140.08180	0.6
141.89238	0.4
143.39453	0.4
144.03209	7.6
149.02325	2.5
149.04945	0.6
149.05994	1.6
149.08316	0.7
149.09608	5.9
149.13222	3.3
150.05457	1.0
150.06625	1.2
150.10242	10.4
151.03900	1.3
151.08701	0.5
152.04662	1.3
162.04297	3.4
167.03433	3.0
167.07024	31.1
167.09329	1.6
167.10635	12.0
167.12927	3.2
167.14267	17.7
168.06497	1.5
168.07669	0.6
168.10052	0.6
168.11285	1.5
168.14798	0.5
176.69841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	2.5
55.01853	1.6
55.05249	1.1
55.05503	13.3
56.96565	6.9
57.03419	2.3
57.07056	3.4
59.04977	2.2
59.06113	1.4
60.64025	0.7
65.03927	1.3
66.04724	1.0
67.05499	23.8
67.80166	0.7
68.04997	1.1
68.05854	1.0
69.03406	3.4
69.06707	1.3
69.07055	16.5
70.06589	1.4
71.04984	26.9
72.08121	0.7
73.06550	9.8
77.03912	1.1
78.04695	9.5
79.05118	0.9
79.05482	20.5
81.03394	1.8
81.04530	0.9
81.07045	31.4
82.06577	1.1
83.04958	4.5
83.06049	1.4
83.08601	5.7
84.04472	1.1
84.96033	2.0
85.06508	2.3
85.07615	0.7
91.05463	7.4
92.05801	0.8
93.07031	35.5
95.04936	5.4
95.06087	0.7
95.08593	61.1
96.05768	1.1
96.08910	1.6
97.06516	5.6
97.07597	1.0
97.10135	1.0
105.03380	2.1
105.07001	6.7
106.04153	3.5
107.04971	4.2
107.08577	46.1
107.89416	0.7
108.08925	1.6
109.02853	2.6
109.06495	5.8
109.07633	3.1
109.10149	16.6
111.04433	2.0
111.08045	5.3
111.09191	1.3
119.08592	1.0
121.01649	9.4
121.02870	0.9
121.06477	3.6
121.10130	29.1
122.03661	1.3
122.06063	0.9
122.07117	2.9
123.04413	19.4
123.08041	2.9
123.11678	9.1
124.05296	5.7
124.23267	1.0
125.05943	2.8
125.08237	2.6
125.09621	2.7
131.08551	2.4
134.03577	1.0
137.05936	1.8
139.02679	4.0
139.03700	1.1
139.07520	2.2
139.11150	1.0
139.41080	0.7
143.55568	1.8
144.03183	8.2
149.02328	2.6
149.05963	2.0
149.09608	5.8
149.13243	23.2
150.06575	1.0
150.10255	2.8
151.03918	4.2
152.04695	4.8
152.05962	0.9
162.04291	3.6
167.03323	2.5
167.07027	100.0
167.08356	4.4
167.10593	9.6
167.12950	1.5
167.14255	11.2
168.04189	1.0
168.07451	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	167.1428
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.72842	0.8
51.81061	0.8
53.03936	2.6
55.01851	2.9
55.05256	1.3
55.05503	17.8
56.96556	2.2
57.03426	2.2
57.07067	4.8
59.04980	1.1
66.04707	1.0
67.05494	17.8
68.05834	1.0
69.03424	1.6
69.07059	36.9
71.04991	4.3
71.61833	1.2
78.04701	8.2
79.05050	1.3
79.05481	18.1
81.03397	3.4
81.07046	92.5
82.06578	1.7
82.07368	1.9
83.04974	3.5
83.06068	0.9
83.06910	1.2
83.08611	13.7
83.34883	0.9
84.96033	2.1
85.06522	15.0
86.56655	0.7
91.05464	9.4
93.07031	46.5
94.07371	2.1
95.04940	6.9
95.08589	29.1
96.08932	1.5
97.02895	1.1
97.06524	6.3
97.07572	0.9
97.10155	16.3
99.04422	1.0
99.05588	0.9
99.08067	5.6
105.03381	1.2
105.07023	5.5
106.04134	4.4
107.04960	5.1
107.08579	39.2
108.08923	1.2
109.02860	3.1
109.06492	5.3
109.07635	1.3
109.10144	10.4
111.04459	1.9
111.07350	1.2
111.08069	16.3
111.09193	1.1
121.01660	7.6
121.02873	1.7
121.06519	4.3
121.10133	29.0
122.03662	1.3
122.07135	2.8
123.04404	18.3
123.08028	3.4
123.11692	39.8
124.05212	8.2
124.12021	1.7
125.05962	3.0
125.08229	2.8
125.09575	4.3
127.03853	1.4
131.08543	1.9
135.04405	1.9
137.13222	2.1
139.02698	5.0
139.03883	1.6
139.07498	2.4
140.95050	1.6
144.03197	6.9
144.98184	1.1
149.02325	3.8
149.05925	2.7
149.09592	4.1
149.13232	26.6
150.05449	1.9
150.13571	1.2
151.03879	3.7
152.04637	2.8
155.28052	0.9
162.04285	3.5
165.07021	1.1
167.03374	3.5
167.07025	93.3
167.08565	4.8
167.10527	8.0
167.14291	100.0
168.07494	5.0
168.14633	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	169.0494
Annotation	480-66-0
Peak:m/z	Relative Intensity
53.03938	0.7
53.90316	0.4
55.01859	1.2
55.05500	1.1
56.89677	0.4
56.96557	0.7
57.03436	0.5
57.07066	0.5
58.06584	0.3
59.06109	1.0
59.43786	0.4
60.23885	0.4
65.03925	0.7
67.01858	15.7
67.05500	4.1
68.05025	0.4
68.99778	3.4
69.03421	0.7
69.07056	1.2
70.06588	0.8
70.88979	0.8
71.04980	1.2
71.08619	0.5
72.04546	0.4
72.08133	0.9
79.05473	1.3
81.03409	2.2
81.07046	4.7
83.04979	2.2
83.06094	0.5
83.08625	0.6
83.60052	0.3
84.08151	0.9
85.02898	12.6
85.03419	0.6
85.06536	0.9
85.07645	0.6
86.08440	0.5
87.00816	0.5
91.05450	0.6
93.07034	1.4
95.01315	2.6
95.04961	5.2
95.08601	3.7
97.02876	0.6
97.06527	0.4
98.03663	0.5
99.04452	1.1
102.75269	0.3
103.03893	0.5
105.07032	1.3
107.08572	1.7
109.02865	5.5
109.06520	2.6
109.07648	1.1
109.10136	3.1
110.07137	0.5
111.00820	2.8
111.04484	1.7
111.08084	2.7
111.09200	3.3
113.05982	0.6
118.50057	0.3
123.00783	15.7
123.04415	18.0
123.08044	2.8
123.11694	2.8
124.04723	1.0
124.08714	0.8
125.09621	0.7
126.03117	4.3
127.03904	17.7
127.07496	0.7
128.04265	0.4
128.08191	0.4
128.95143	0.6
129.01762	0.9
133.05148	0.5
133.10129	1.2
137.05949	0.4
138.98473	1.0
141.01794	3.2
141.05453	12.9
146.04088	0.4
146.96092	0.7
151.03888	55.7
151.07532	1.3
151.11153	2.1
152.04204	1.8
152.08150	0.4
152.11806	0.5
154.02586	0.8
154.07718	0.7
169.01271	1.8
169.04947	100.0
169.10091	1.7
169.12225	1.3
170.05321	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	171.0651
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03935	0.6
55.01856	1.9
55.05506	2.8
56.96553	0.5
57.03427	0.5
57.34480	0.4
60.84106	0.4
65.03935	16.5
67.05495	1.4
68.82912	0.3
68.99427	0.4
68.99787	6.2
69.03423	1.4
69.07048	0.5
69.84640	0.3
70.06567	0.3
71.05873	0.8
72.04507	1.1
72.93815	0.4
74.29867	0.3
79.05487	0.6
81.03414	3.5
83.01334	0.4
83.04974	8.4
83.08630	0.3
89.07143	1.0
93.03392	4.8
93.07071	0.4
95.04970	0.5
96.02097	0.8
97.02896	1.3
109.02888	0.4
111.04431	72.8
112.04758	1.3
121.02881	1.1
121.03983	5.6
125.05985	0.3
125.09501	0.3
127.03889	0.6
128.06226	0.9
129.07014	0.5
134.05983	0.3
138.54187	0.6
139.03886	100.0
140.04230	2.3
143.08540	1.7
147.54691	0.6
147.96875	0.7
153.01866	0.8
153.47092	0.3
156.03781	0.8
156.09320	1.0
157.01263	0.3
162.97086	0.4
165.97888	0.6
166.00287	0.4
171.02930	0.6
171.06526	8.3
171.07971	0.8
171.11668	1.7
171.14890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
50.81221	0.7
53.03946	0.9
55.01865	9.0
55.05506	17.6
56.96577	1.2
57.03431	47.2
57.07080	2.6
59.05006	1.7
59.06129	1.9
65.03943	1.0
67.05500	39.6
68.05814	0.7
69.03436	2.0
69.07061	31.7
69.39083	3.6
69.39518	3.9
70.06596	2.6
70.31711	0.7
71.04990	6.4
71.06116	1.2
72.04510	14.4
72.08150	2.8
72.93751	0.8
73.02911	1.5
73.06569	1.2
75.05600	0.8
79.05481	7.6
81.03407	1.2
81.04562	0.8
81.07051	15.4
83.01385	0.7
83.04967	7.4
83.06089	1.9
83.08612	26.0
84.04501	1.8
84.08158	0.8
85.02892	1.4
85.04025	0.7
85.06542	4.9
85.07671	2.0
86.09698	1.3
87.04408	1.2
89.07149	12.9
89.07674	1.2
91.05464	2.4
93.07026	8.0
95.04948	2.1
95.08597	8.8
97.02903	1.0
97.06516	8.2
97.07639	1.0
97.10181	1.8
98.21119	3.5
98.97613	1.3
99.08028	1.7
101.06006	1.0
105.07016	2.1
107.08582	9.9
109.06494	1.4
109.07648	1.8
109.10146	100.0
110.07134	1.5
110.10474	2.0
111.04437	3.7
111.05572	0.9
111.08071	13.7
111.09181	5.2
112.03888	1.1
112.07627	1.2
113.05910	0.7
113.07138	1.4
113.10710	0.9
115.05421	2.3
115.08608	0.7
116.98608	0.7
117.05726	0.9
119.01798	1.9
125.06010	1.8
125.09592	5.0
126.05492	1.0
127.11176	31.5
128.02304	1.0
128.06218	13.9
128.08279	1.0
129.07030	5.7
130.07700	1.1
134.37968	0.7
134.99571	0.8
135.11662	4.4
139.03886	1.4
141.07013	4.8
142.07750	2.2
143.08546	21.6
145.06509	0.8
146.99591	0.9
147.96915	2.0
148.53557	1.3
153.00647	0.8
153.05495	0.7
153.09097	3.1
153.12700	6.3
154.08598	1.0
154.09721	1.9
154.13309	0.8
155.08519	2.1
156.09325	16.4
157.09650	0.8
165.97910	1.6
171.02823	2.3
171.05487	1.8
171.07967	8.8
171.10132	1.1
171.11635	30.1
171.13730	2.5
171.14946	10.8
172.09688	1.6
175.70753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03936	0.4
55.05504	5.2
55.89564	0.3
56.96559	0.8
57.03421	1.3
57.07064	1.7
58.07405	0.7
59.04988	0.7
61.60939	0.3
67.05493	2.1
69.03431	0.3
69.07062	0.4
71.04994	0.7
71.08633	0.5
71.62434	0.5
72.93778	0.7
74.06076	0.9
79.05487	1.0
81.03402	0.5
81.07060	2.1
83.04968	5.3
85.06546	0.6
86.06007	0.3
88.07630	2.7
89.02390	0.4
89.07925	1.6
90.90375	3.1
90.94824	0.6
91.05468	8.1
91.05909	0.3
93.07029	0.8
95.08598	0.4
96.25065	0.4
99.04444	0.5
99.98222	0.3
101.06011	4.7
102.09161	1.2
103.03278	0.8
103.05490	0.5
103.09505	1.0
105.07019	9.4
108.91370	0.4
108.95805	0.3
109.10159	0.4
111.04432	4.6
113.05962	0.6
115.04764	0.3
115.05412	1.9
116.06223	1.6
117.07005	5.9
119.08569	8.9
127.07504	0.9
128.06190	1.2
129.05492	5.5
129.06987	7.0
130.07794	3.3
131.08554	60.0
131.93001	0.6
132.08046	0.4
132.08908	1.5
133.10141	2.1
141.47768	0.3
142.07758	0.7
143.08553	16.0
143.09683	0.8
144.09340	5.8
145.06476	1.2
145.10107	23.7
146.08078	0.5
146.10452	0.8
149.94031	4.0
155.07008	4.8
155.08528	1.5
156.09348	0.8
157.10143	1.1
158.07317	1.8
158.10899	26.6
159.11653	1.7
167.95085	0.9
167.97099	0.6
171.11687	1.6
172.95647	0.7
173.05894	0.9
173.08136	9.3
173.09627	9.5
173.13245	100.0
173.17284	16.7
174.05525	0.5
174.07588	0.7
174.13780	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05502	6.8
57.03426	1.2
58.26262	0.5
59.04985	1.7
65.03941	0.5
67.05490	1.8
67.22526	0.5
68.43134	0.4
69.49945	0.5
71.06135	0.8
71.21727	1.3
72.93777	0.9
76.02192	0.8
76.93224	0.5
79.05476	1.5
81.07056	1.6
81.19115	0.5
83.04963	6.2
89.02386	0.7
90.90376	6.5
90.94818	0.8
91.05466	10.4
93.07010	0.8
98.98462	1.6
99.04420	0.6
101.06002	5.0
103.03265	1.1
103.05473	1.0
105.07019	11.2
108.95798	0.5
109.10208	0.6
111.04418	7.5
113.05983	0.7
115.05440	2.8
116.06210	2.8
117.06992	8.9
119.08571	8.0
128.06198	1.7
129.05504	5.2
129.06979	9.8
130.07768	4.8
131.08551	100.0
131.97385	0.9
132.08893	2.4
133.10107	1.2
139.01826	0.5
141.48141	0.5
141.77814	0.6
143.08543	17.0
144.09344	8.7
145.06454	1.1
145.10109	32.3
146.08109	0.6
146.10445	0.7
149.94020	8.7
155.07007	6.9
155.08365	1.0
156.09358	0.8
157.10110	1.1
158.07318	1.5
158.10898	19.5
167.95064	1.2
171.11635	1.4
172.95642	1.2
173.04747	0.5
173.05978	0.8
173.08153	12.4
173.09633	6.2
173.13240	90.0
174.13582	2.1
190.28716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0759
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03931	0.9
55.01856	1.1
55.05506	1.9
56.05024	2.6
56.05826	0.7
56.96560	1.4
57.03428	11.7
59.04998	0.6
59.06113	1.5
60.04517	48.0
61.02905	1.5
65.03927	0.8
67.05468	0.7
68.05016	5.1
69.03417	14.8
69.07047	1.7
69.98716	2.7
70.06579	0.8
70.95844	1.9
72.04491	1.7
72.93771	1.7
74.06083	0.7
77.67376	0.6
79.05492	1.3
81.07040	1.7
82.06548	0.8
84.04489	31.1
84.62112	0.6
85.02410	1.1
85.02891	11.7
85.04006	0.9
86.06055	4.5
87.04458	0.9
87.05579	2.9
88.03951	0.8
88.96872	1.3
89.03917	0.9
90.94829	0.8
91.03964	0.7
91.05461	14.5
93.07030	1.4
95.08560	1.5
96.04483	13.0
97.02876	95.9
98.03208	2.0
98.06025	1.2
98.20862	0.7
98.98450	8.3
100.03948	1.8
102.05534	8.8
102.06211	0.7
104.37170	0.6
105.07024	8.5
107.08545	0.7
111.04421	1.4
111.98459	1.9
112.04760	0.9
114.05508	37.4
115.03915	8.3
115.05373	0.6
116.07014	0.8
117.07029	1.5
118.06544	0.7
118.07289	0.9
119.04924	7.2
119.08563	8.8
120.98836	0.7
121.06476	1.5
122.07137	0.6
126.06599	1.1
128.06160	1.6
128.07047	0.8
129.06995	5.5
129.20827	0.6
129.99486	1.4
130.05725	1.2
131.08574	3.8
132.06549	4.3
132.08015	1.4
132.08861	2.0
132.95807	3.4
133.10120	10.1
138.05492	1.5
142.07745	1.9
144.06512	1.0
144.08907	1.0
145.06454	2.3
145.10124	1.1
146.05957	2.1
146.08116	2.6
146.10416	1.7
147.04366	4.5
147.08026	2.0
147.11646	1.8
149.98492	0.9
150.00668	1.0
150.96877	9.8
155.97437	1.5
156.06535	1.9
157.06468	0.8
157.10022	2.0
159.08096	1.5
159.11276	1.3
160.05151	2.2
173.13242	0.7
173.98470	3.7
174.07590	100.0
174.10190	2.4
174.12590	2.5
174.13622	4.2
175.03864	2.6
175.07484	6.6
175.09821	0.7
175.11143	3.3
175.14780	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.40702	0.7
55.01860	1.2
55.05497	1.0
56.05028	1.9
56.05844	0.7
56.96547	1.0
57.03174	1.0
57.03429	12.2
60.04517	43.2
61.02905	0.7
63.09085	0.6
68.05015	3.9
69.03423	13.5
69.07083	1.5
71.04279	0.6
71.42233	0.7
71.61189	0.9
75.08521	0.6
81.07029	1.7
84.04494	31.4
84.33076	0.7
85.02894	11.5
86.06030	3.3
87.04451	0.8
91.05453	4.8
92.05820	0.7
95.08612	1.1
95.92014	0.6
96.04483	14.4
97.02879	88.2
98.03218	1.2
98.06040	1.1
98.98444	7.0
100.03977	1.3
102.05539	8.5
105.07021	6.3
107.08581	1.4
111.98506	0.8
112.04781	0.8
113.07157	0.6
114.05515	38.7
115.03918	7.6
115.05441	0.8
117.07031	1.0
118.06581	1.4
119.08567	8.8
121.06467	1.1
126.05534	1.7
128.06219	1.9
128.07097	0.9
129.07005	4.5
130.05557	1.4
130.06509	22.0
130.07484	1.4
131.04906	1.6
131.08559	3.0
131.41304	0.7
132.05740	0.8
132.06564	4.7
132.08878	2.4
132.95866	1.0
133.10114	9.3
134.07304	0.8
136.62743	0.6
138.05475	2.0
142.07787	1.0
144.08017	1.4
145.06490	0.9
145.09999	1.0
146.06006	1.0
146.08162	1.0
146.10442	1.7
147.08023	1.6
147.11682	1.6
150.96863	1.5
156.06528	1.7
156.08017	0.6
157.10164	1.9
159.04385	0.8
159.11281	1.7
160.05200	0.9
173.06009	0.9
174.07619	100.0
174.12668	2.6
174.13628	4.5
175.07538	7.5
175.11185	2.5
175.14807	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	0.5
55.01861	0.7
55.05252	0.7
55.05503	7.5
56.96556	11.2
57.03417	0.6
57.07066	1.1
67.05495	3.8
69.07060	17.5
69.46179	5.0
70.06572	0.5
79.05474	4.5
81.03399	1.0
81.07043	14.9
83.08607	4.7
85.02912	0.9
86.66128	0.5
87.04439	0.6
91.05465	16.2
92.05791	0.7
93.07031	6.6
94.01786	0.8
95.04949	2.2
95.08594	8.9
97.02886	0.9
98.21512	0.8
98.98449	10.7
100.21084	0.5
103.02312	5.4
103.05453	1.5
105.07020	41.7
106.07348	1.2
107.04965	1.1
107.08572	8.6
109.06487	0.6
109.10117	0.7
112.02819	1.2
113.02505	0.8
115.05431	1.8
116.06232	1.4
117.06997	4.3
119.08564	74.2
120.08929	1.8
121.06494	4.6
121.10129	2.4
122.03070	2.0
125.04366	1.5
128.06213	3.4
129.05553	0.8
129.06990	14.8
130.07335	0.9
131.04823	0.5
131.08553	9.6
132.08905	0.7
133.06506	1.1
133.10112	62.1
134.04881	4.1
134.10449	1.9
134.54933	0.8
135.11646	0.5
142.07755	5.9
143.05403	23.0
143.55528	2.5
145.06442	1.3
145.10106	4.2
146.10875	1.6
147.08015	5.3
147.11673	14.2
152.05928	12.9
152.07156	0.5
152.56158	1.2
154.56169	4.6
157.01723	1.4
157.06421	1.1
157.10100	9.8
160.05200	1.4
160.08832	1.4
160.12434	2.5
161.06458	0.7
163.56766	0.9
173.13226	1.7
175.02748	1.8
175.06012	0.8
175.07541	14.9
175.11211	12.6
175.14803	100.0
176.11664	1.0
176.15175	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.39863	0.6
52.17501	0.7
55.05506	9.8
64.39998	0.6
67.05489	2.9
69.07057	10.9
70.06561	3.0
71.75448	0.6
79.05484	3.5
80.36002	0.6
81.07047	15.7
83.08607	3.5
89.69456	0.6
91.05464	10.3
93.07031	5.8
95.08591	11.0
98.98460	1.3
103.05451	0.7
105.07019	43.8
106.07333	1.4
107.08579	9.6
109.10140	1.1
117.06985	2.8
117.32285	0.6
119.08569	72.3
120.08889	1.3
121.06428	0.8
121.10130	1.8
129.06969	1.4
130.06467	1.0
131.08569	7.7
132.09331	0.8
133.10118	47.2
134.10423	1.0
145.10109	2.1
146.10883	3.5
147.11667	13.5
160.12460	1.1
173.13239	1.7
175.07578	2.4
175.14807	100.0
176.15158	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05500	9.3
65.86723	1.0
67.05477	3.0
69.07063	10.6
69.73725	1.1
70.67353	1.1
70.67698	3.7
79.05468	4.3
81.07047	20.9
83.08594	3.3
83.55913	1.1
91.05471	16.1
93.07028	8.4
95.08582	13.1
98.98430	3.6
105.07012	54.8
107.08580	8.9
117.07019	3.5
119.08561	83.7
120.08885	2.3
120.15077	1.0
121.10122	2.8
129.07013	4.9
131.08543	9.9
133.10107	76.4
134.10417	1.9
142.07718	2.1
145.10097	3.1
146.10852	3.1
147.08037	1.7
147.11644	13.9
157.10126	2.3
160.12459	1.6
170.35968	0.9
173.13336	1.7
175.07445	5.5
175.11229	3.3
175.14796	100.0
176.15100	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.01862	0.6
55.05507	6.5
57.07069	1.0
57.93840	0.4
67.05493	2.0
69.03436	0.5
69.07060	18.2
69.27588	0.4
70.06609	0.5
70.88670	0.6
70.89022	1.4
72.08154	0.6
77.03909	0.7
79.05486	3.3
81.03355	0.4
81.07050	11.4
81.91404	0.5
83.04980	0.6
83.08611	4.0
85.02901	1.0
85.49747	0.5
91.05471	14.6
92.05779	0.9
93.07029	4.2
95.04976	0.8
95.08604	8.7
97.02863	0.9
98.98461	9.4
103.05468	1.7
104.06281	0.7
105.07019	36.4
106.07336	0.6
107.08578	5.4
111.04467	0.6
115.05453	1.7
116.06244	1.1
117.07008	3.3
119.08570	79.3
120.08858	2.6
121.06498	6.1
121.10140	2.4
128.06210	4.0
129.06998	20.1
130.07358	0.5
131.04910	0.6
131.08563	11.4
132.09215	0.7
132.95822	0.9
133.06473	1.1
133.10117	71.5
134.10376	2.3
135.11652	0.8
141.06976	0.8
142.07773	6.2
145.06459	1.1
145.10132	4.3
146.10887	1.1
147.04399	1.0
147.08044	6.0
147.11674	11.9
155.06007	0.5
157.06464	1.2
157.10114	8.4
158.10515	0.7
159.11662	1.2
160.05199	1.8
160.12482	2.9
173.13240	2.1
175.03935	0.8
175.07541	14.7
175.11229	10.5
175.14812	100.0
176.08020	0.6
176.11665	0.6
176.15215	3.6
184.77644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03697	1.8
53.03939	27.3
54.04702	1.1
55.05504	15.2
56.28874	1.0
58.99567	4.0
61.01146	24.2
62.99074	11.1
65.00632	14.3
65.03923	3.5
67.04229	1.5
67.05500	6.0
68.05042	5.8
68.05329	1.0
69.03428	8.1
69.07063	2.6
69.37865	5.4
69.38289	4.9
70.06570	2.4
71.04976	5.9
71.99085	7.7
73.01149	1.6
75.02679	4.0
78.03441	8.8
78.96774	1.1
80.04985	2.4
82.99558	3.3
84.00343	2.1
85.01118	49.6
87.02683	37.3
89.00584	2.5
91.05457	2.9
93.07021	4.2
95.08579	1.1
96.04484	74.0
98.20788	2.6
98.98447	2.7
100.02189	2.9
101.02959	4.3
101.04234	13.5
103.01503	2.1
103.02154	33.2
103.05445	1.4
104.02942	3.2
105.07017	3.0
106.07340	2.2
107.08576	3.5
112.02180	100.0
113.02982	2.1
115.98602	1.1
117.03704	14.7
117.06934	1.3
119.08550	2.9
120.08905	4.9
130.07326	2.1
131.08517	1.8
133.10089	1.9
134.10442	3.9
135.11700	1.2
142.06442	1.8
142.95706	1.1
145.02756	1.8
145.32721	1.1
148.09583	1.0
149.02197	1.2
149.05962	1.5
149.08176	1.0
152.74895	1.1
158.10443	1.9
161.05748	1.2
162.06577	1.0
176.01978	84.1
176.07919	3.0
176.11652	2.2
176.14238	3.7
176.15233	3.7
177.05450	3.4
177.09091	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	176.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
56.96287	0.9
56.96560	16.3
61.69230	0.6
69.03419	0.7
70.21549	3.1
70.65662	0.6
71.95251	1.7
77.00910	1.9
79.05476	0.7
91.05453	2.3
93.07026	1.7
95.01922	2.0
95.08602	0.7
98.97577	77.4
100.02481	4.2
101.00792	0.7
104.17012	0.7
105.07022	2.9
107.08609	0.9
107.91829	0.6
116.00246	0.9
116.01955	3.0
116.98614	100.0
117.03984	1.9
117.07006	0.7
118.03526	5.5
119.01909	9.2
119.08584	1.3
120.02036	1.6
121.01643	1.1
121.06508	0.6
129.03955	1.0
130.07336	0.9
131.01842	3.2
131.07045	0.9
131.08585	1.4
134.01363	1.1
134.02975	26.4
134.04839	1.8
134.99652	96.0
136.04550	1.5
137.02968	3.6
138.99078	0.8
140.00172	3.6
141.03873	1.7
143.08553	1.5
144.04962	0.7
144.55763	1.1
145.06778	11.2
145.10127	1.1
148.04659	1.3
150.00740	1.5
152.04018	5.8
152.05844	1.1
152.96989	0.7
153.00705	20.9
154.03488	1.7
154.07314	15.0
156.57607	1.9
157.04584	1.1
158.01257	11.3
158.02817	3.6
158.10487	1.0
159.08008	1.6
162.06187	5.8
163.07855	2.6
165.58115	1.9
169.44676	0.8
171.01357	2.2
173.09618	1.3
176.02298	6.1
176.04099	10.1
176.05884	3.5
177.00781	1.6
177.04156	1.2
194.03438	1.1
194.05139	2.4
194.06821	1.3
195.01794	0.8
196.56393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98622	0.5
55.01863	0.4
55.05507	0.6
56.05021	0.7
56.96280	0.8
56.96560	13.9
57.93552	0.9
58.01471	0.4
58.99863	0.7
59.06115	2.8
60.04520	0.9
67.05482	1.2
69.03417	0.5
69.07076	0.3
71.05022	0.4
71.59965	0.7
71.95253	1.1
75.05603	0.8
75.94608	0.6
77.00901	2.0
79.05487	1.2
81.07034	0.7
83.06084	0.4
85.07658	0.9
86.06061	0.7
87.05587	1.3
91.05481	2.2
92.05801	0.4
93.07038	0.9
93.37592	0.3
93.60906	0.3
95.01943	1.8
95.04908	0.6
95.08591	0.5
98.97573	31.3
98.98452	1.4
99.05558	0.8
100.02473	3.3
100.03943	0.4
101.00879	1.1
102.05553	0.5
103.05474	0.6
104.02530	0.5
105.07021	2.4
106.07319	0.8
107.08556	0.7
112.05751	0.4
116.00226	0.5
116.01932	5.5
116.97327	7.8
116.98605	50.9
117.04021	1.1
117.07023	1.0
118.02651	0.5
118.03511	10.1
119.01913	19.2
119.02919	1.0
119.08542	1.2
120.01985	2.2
120.03302	0.5
120.08899	0.5
121.01662	2.7
121.06495	0.4
122.06868	0.5
129.06958	1.2
130.03468	1.0
130.06451	0.7
130.07359	1.4
131.01888	3.7
131.07077	0.6
131.08569	1.9
131.09370	0.4
131.99562	1.5
132.05150	0.5
132.07848	0.5
132.08823	0.4
133.04887	0.5
133.10126	1.1
134.02975	71.9
134.10419	0.5
134.99643	100.0
136.00060	0.6
136.02621	0.6
136.04532	4.5
136.06273	0.5
137.00075	0.7
137.02962	12.9
137.03989	1.0
137.04710	0.6
137.98328	1.0
138.03090	1.0
138.04265	0.5
138.49863	2.5
139.02658	1.2
139.98776	0.3
139.99214	0.4
140.00179	2.7
141.03819	1.2
141.04990	0.7
142.03485	1.6
143.08458	0.7
144.06020	0.6
144.55748	0.6
145.06769	9.8
145.10112	1.5
145.56604	0.6
146.03616	0.5
148.04559	1.1
148.09601	0.4
148.96190	1.0
149.01266	0.4
149.02197	0.6
149.08192	0.5
150.00681	3.3
150.06183	0.5
152.02144	0.8
152.04013	18.4
152.05952	0.7
152.96925	2.4
153.00694	28.8
153.04080	0.9
153.05405	0.5
153.06628	0.8
154.01106	0.8
154.03481	2.0
154.07310	7.2
156.57547	2.6
157.04573	4.7
158.01245	11.1
158.02968	6.4
158.04202	0.6
158.10434	0.6
159.07974	0.8
159.11658	0.4
160.04529	1.5
161.51459	0.7
162.06148	3.6
163.07915	1.8
165.58153	1.6
170.03102	0.4
170.97986	0.9
171.01364	2.2
171.06248	0.7
172.04529	0.7
173.09578	0.4
173.56863	0.4
175.05687	0.8
175.98560	3.4
176.02315	6.6
176.04057	23.9
176.05789	3.6
176.07198	0.8
176.10284	0.7
176.11697	0.9
176.14226	0.7
177.00833	1.2
177.04086	1.2
177.05504	0.8
177.09004	0.8
181.02681	0.4
185.13246	0.7
189.02519	0.9
194.03278	1.2
194.05106	6.8
194.06932	1.2
195.01729	1.0
195.04973	0.7
199.00082	0.5
199.03964	0.6
199.05629	2.2
199.07321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03945	1.8
55.01858	0.8
55.05507	5.0
56.96550	0.8
57.07052	0.7
59.04993	2.9
63.02356	1.4
67.05498	3.3
69.03433	0.9
69.07063	10.5
71.04983	0.8
71.61006	0.8
78.04694	2.9
79.05492	8.4
81.07057	7.8
83.08604	5.5
87.05585	1.2
89.03909	41.5
90.04254	0.9
91.05479	13.9
93.07035	18.1
95.04959	3.1
95.06109	1.3
95.08596	17.7
97.10157	1.7
98.04804	0.8
98.98468	7.4
103.05474	3.7
105.03385	0.7
105.07020	8.3
106.04159	6.6
107.04966	1.0
107.08589	27.8
109.06493	1.9
109.07621	0.7
109.10139	5.6
115.05405	1.0
116.98583	1.3
117.03366	67.3
117.07040	3.8
118.03680	1.4
119.04939	1.2
119.08569	3.7
121.06509	5.9
121.10133	40.0
124.05228	2.3
129.06985	0.7
131.04858	1.0
131.08548	9.9
133.10107	3.0
134.03627	8.8
135.04395	7.6
135.08047	1.6
135.11674	9.3
136.08728	0.9
144.09370	0.8
145.02832	100.0
145.06509	2.7
146.03212	2.2
147.04454	1.3
149.02322	8.6
149.05972	27.7
149.09645	2.2
149.13254	3.3
150.06380	1.7
154.07367	0.9
158.05981	1.9
159.04411	1.0
159.08018	6.6
159.11652	4.4
162.03122	4.0
162.06743	1.0
163.03897	3.6
165.91159	0.7
166.63824	0.7
177.05457	45.2
177.09068	13.3
177.11397	1.5
177.12785	8.1
177.16396	31.1
178.05882	1.4
178.10867	0.9
178.16840	0.9
186.05469	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	0.6
53.97123	0.6
54.03444	0.5
55.01863	1.0
55.05503	3.3
56.05037	0.6
56.96573	1.2
57.07063	0.9
59.05005	0.6
59.06119	1.3
63.02370	1.2
64.05890	0.6
65.03912	0.8
67.05488	3.0
68.05008	0.9
69.03424	1.0
69.07053	4.5
70.06567	0.8
71.60227	1.1
72.08149	5.7
77.03863	0.6
78.04725	1.7
79.05480	5.8
81.04506	0.8
81.07031	6.1
83.06072	0.7
83.08605	2.4
84.08132	0.7
84.23770	0.6
87.05587	2.1
88.02212	1.3
89.03904	37.1
89.05499	1.4
90.04258	0.7
91.05472	12.9
92.05798	0.6
93.07030	12.4
94.06572	0.8
95.04950	2.6
95.06080	2.0
95.08591	9.2
95.09139	0.7
96.06862	0.8
97.07631	1.0
97.10150	0.7
98.98449	8.7
101.86164	0.6
103.05476	4.3
105.03349	0.8
105.07011	8.2
106.04124	3.3
106.07350	2.9
107.04952	2.1
107.07743	1.7
107.08582	14.1
108.05548	0.9
108.08915	1.0
109.06490	1.4
109.07616	1.0
109.10163	2.5
110.07155	1.2
110.07832	5.4
111.08681	0.6
115.05459	0.9
116.06202	1.0
116.98616	1.2
117.03366	67.2
117.07040	3.3
118.03707	1.1
119.04916	2.5
119.08579	5.8
120.08132	0.7
120.08885	3.2
121.02839	1.2
121.06486	5.4
121.07307	0.6
121.07655	0.5
121.09253	2.5
121.10117	21.7
122.06075	1.0
122.07138	1.1
123.08048	0.9
124.05178	1.9
129.07025	1.1
131.01823	0.7
131.04924	2.6
131.08556	10.7
132.04469	0.7
133.06451	0.7
133.09233	0.8
133.10106	3.1
134.03607	6.9
134.07146	1.2
134.10481	2.0
134.99634	3.0
135.04419	7.7
135.08060	3.1
135.10764	2.3
135.11682	5.4
136.08684	1.9
137.05811	0.7
137.08365	0.6
137.09457	2.3
145.02826	100.0
145.06688	1.9
146.03171	2.6
147.08051	1.1
149.02310	8.6
149.04742	1.3
149.05960	26.6
149.09607	3.0
149.13234	2.4
150.06450	1.2
154.07344	0.8
158.06001	1.4
159.04305	0.9
159.08014	2.9
159.11684	4.2
160.08698	1.0
162.03094	2.7
163.03870	3.2
165.58093	0.7
177.05444	44.4
177.09012	12.2
177.11301	3.2
177.12720	10.0
177.15221	3.2
177.16341	11.2
178.04787	1.2
178.06091	0.8
178.10881	1.4
186.05447	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03944	0.8
55.01866	0.6
55.05494	1.2
56.96554	0.9
57.03433	0.3
57.71503	0.3
59.06106	0.6
59.23320	0.3
63.02364	0.8
65.03939	0.7
67.05490	1.2
69.07059	1.6
71.15608	0.7
72.08147	0.4
78.04710	2.4
79.05493	3.0
81.07041	2.3
83.08632	0.4
87.05580	0.6
89.03907	35.8
89.42053	0.3
90.04221	0.6
91.05471	11.1
93.07027	6.4
95.04956	2.6
95.06075	0.6
95.08610	3.0
97.02876	0.6
98.97557	0.4
98.97782	0.4
98.98441	3.5
103.05460	3.4
105.03398	0.8
105.04466	0.5
105.06367	0.5
105.07024	6.8
106.04163	5.5
106.41319	0.3
107.04943	0.9
107.08588	6.5
109.06505	0.9
109.07615	0.6
109.10161	0.6
112.52792	0.4
115.05414	0.9
116.06234	0.8
116.98621	0.4
117.03367	64.2
117.07011	2.6
118.03694	1.6
119.04907	1.4
119.08568	2.6
120.02687	0.3
121.02874	0.4
121.06519	4.2
121.10126	6.6
124.05177	1.7
129.06996	1.3
131.04903	0.9
131.07562	0.7
131.08549	12.8
132.08992	0.5
133.06471	0.6
133.10114	3.3
134.02611	0.6
134.03618	9.0
134.07220	0.6
134.99629	1.2
135.04424	6.9
135.08038	1.5
135.11681	1.7
136.08621	0.4
144.05687	0.5
145.02829	100.0
145.06593	1.2
146.03134	2.8
147.04396	0.5
147.07965	0.5
149.02330	3.8
149.05965	27.5
149.09508	1.8
149.13213	1.4
150.06355	1.0
154.07242	1.3
154.57336	0.4
156.57587	0.5
158.05992	1.3
159.04417	0.6
159.08040	2.7
159.11705	2.2
160.08652	0.5
162.03082	3.3
162.06749	1.0
163.03842	2.3
177.05457	40.5
177.09058	17.9
177.11327	0.6
177.12640	4.5
177.16360	3.6
178.05939	0.5
186.05466	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.85278	0.4
53.85406	0.4
55.05497	0.5
56.17633	0.7
56.96547	0.9
58.20781	0.4
59.06116	0.6
63.02381	0.8
64.28642	0.4
69.07041	0.6
71.04988	0.6
71.12516	1.0
78.04694	2.4
79.05485	1.3
81.07042	1.4
83.16370	0.4
87.05566	1.5
89.03908	35.1
90.04223	0.6
91.05477	4.3
93.07027	2.1
95.04967	1.2
95.06036	0.5
95.08603	1.2
96.06889	0.5
97.07703	0.5
98.97564	1.1
98.98442	2.0
103.05454	1.7
105.03384	0.5
105.07014	1.5
106.04169	2.5
107.04945	0.6
107.08542	2.1
114.62070	0.4
116.98593	1.5
117.03365	62.1
117.06973	0.8
118.03699	1.7
119.01865	0.5
119.04972	0.6
119.08565	0.7
121.06513	1.6
121.10132	2.6
124.05192	1.0
131.04889	0.7
131.08537	2.5
133.10129	0.6
134.03624	8.7
134.99632	1.3
135.04402	7.6
135.08076	0.5
135.11674	0.5
145.02829	100.0
146.03137	3.1
149.02357	2.8
149.05963	24.7
149.09569	0.8
150.06497	0.5
153.00703	0.5
158.06009	1.0
159.04404	0.5
159.08055	0.6
159.11681	0.8
162.03099	2.3
163.03894	5.0
177.05450	44.7
177.11316	0.8
177.12721	1.7
177.16351	1.7
178.05865	0.9
186.05495	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	177.0908
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03923	0.3
55.01849	0.6
55.05494	1.4
56.96551	0.8
57.07050	0.2
59.06099	0.3
65.03919	0.5
67.05485	1.0
68.05035	0.2
68.99761	0.3
69.03418	0.5
69.06751	0.2
69.07056	2.1
69.30370	2.7
71.04961	0.3
72.08145	0.2
78.04705	0.6
79.05479	2.8
81.07047	2.3
83.08612	1.2
87.05576	0.5
88.02203	0.3
89.03902	2.1
91.05463	6.5
93.03393	0.2
93.07034	5.6
95.04982	1.2
95.06092	0.4
95.08585	3.5
96.06906	0.2
97.10123	0.3
98.98464	2.4
103.05450	1.4
103.13593	0.2
105.03392	0.3
105.07013	3.4
106.04154	3.0
106.07850	0.3
107.04931	0.7
107.08582	6.8
109.06483	0.7
109.07595	0.3
109.10106	1.3
115.05443	3.4
116.06213	2.7
116.53259	0.3
116.98637	0.3
117.03355	3.1
117.07003	10.9
119.04906	1.1
119.06051	0.2
119.08581	1.3
120.05721	0.3
121.02837	0.4
121.06487	4.5
121.10122	8.2
121.16219	0.3
122.07052	0.2
123.07999	0.3
129.06978	0.6
131.04855	0.6
131.07030	0.3
131.08543	4.8
133.06464	2.7
133.10112	1.8
134.03618	1.1
134.07240	2.9
135.04366	1.0
135.06664	0.3
135.08037	2.3
135.11667	2.6
136.08646	0.4
137.09433	0.4
144.05670	2.3
144.09286	0.4
145.02827	4.8
145.06523	1.9
147.04367	0.9
147.07986	0.6
149.02322	2.7
149.05954	4.2
149.09630	1.7
149.13245	1.0
150.10194	0.3
154.07306	0.5
154.89630	0.3
159.04289	0.3
159.08035	1.6
159.11674	1.6
160.08708	0.3
161.05978	1.1
162.03183	1.1
162.06740	12.0
163.03867	0.3
175.07501	0.6
177.05620	6.9
177.09081	100.0
177.16344	5.6
178.09460	3.6
186.05466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01845	0.2
55.05498	0.3
56.96545	0.2
57.86943	0.2
67.05495	0.4
67.52040	0.2
69.03423	0.2
69.04575	0.1
69.07045	0.6
70.67638	0.2
70.67978	0.6
71.68785	0.2
78.04687	0.3
79.05482	0.9
81.07024	0.7
83.08585	0.3
89.03897	0.3
91.05463	3.4
93.07041	1.6
95.04963	0.3
95.08601	1.1
98.20838	0.2
98.21397	0.2
98.98457	0.5
103.05451	0.7
105.07018	1.2
106.04147	0.4
106.07809	0.3
107.04964	0.3
107.08597	1.5
109.06537	0.3
109.10121	0.4
115.05441	3.1
115.06235	0.2
116.06238	2.2
117.03349	0.6
117.07009	8.8
118.15157	0.2
119.04928	1.0
119.08563	0.4
120.05711	0.2
121.06493	2.2
121.10135	2.1
125.96221	0.2
129.06979	0.3
131.08537	1.0
133.06491	2.2
133.10130	0.6
134.07249	3.4
135.08051	1.3
135.11676	0.5
136.08566	0.2
144.05661	1.6
144.09227	0.2
145.02800	1.0
145.06473	1.5
146.07195	0.2
147.04381	0.5
147.08058	0.3
149.02328	0.7
149.05974	0.7
149.09628	0.9
149.13261	0.3
159.08040	0.6
159.11661	0.3
161.05943	0.8
162.06746	10.9
163.07091	0.2
175.07536	0.3
177.09087	100.0
177.16249	1.5
178.09454	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1271
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02356	1.1
51.22780	1.0
53.03928	5.5
55.01854	4.2
55.05504	29.8
57.03428	8.3
57.07060	3.7
61.46805	1.0
65.03923	3.5
67.05161	1.5
67.05495	24.1
69.03433	6.3
69.07058	44.3
69.44767	10.2
69.72717	1.0
71.04992	11.1
71.84803	0.9
77.03912	1.8
79.05482	60.0
80.05813	1.4
81.03387	1.8
81.07045	53.5
83.04945	3.9
83.08619	10.8
85.06517	1.3
88.10171	1.2
91.05468	51.1
92.05794	2.0
93.03391	1.1
93.07031	100.0
94.07368	1.6
95.04955	18.6
95.08591	23.5
97.06506	3.7
98.98454	4.2
103.05440	3.1
105.04505	1.4
105.07016	34.3
107.04939	11.8
107.08581	70.7
108.08922	1.5
109.06516	14.0
109.10126	2.6
115.05431	4.3
116.06213	2.9
117.03370	1.6
117.06199	2.1
117.07004	35.7
119.06034	1.7
119.08566	19.2
121.05624	2.0
121.06489	23.4
121.09290	2.1
121.10135	26.7
122.07275	4.5
123.08018	2.3
128.06075	1.1
129.06982	7.6
130.07777	6.3
131.08549	39.8
133.06479	1.6
133.10115	9.8
135.08038	12.8
135.11668	10.3
144.09308	9.3
145.02817	1.9
145.06610	1.3
147.08051	1.5
147.11609	1.1
149.02289	6.3
149.05991	1.8
149.09572	4.2
149.13245	18.0
154.07306	1.4
157.10164	1.4
157.66229	1.2
159.08142	2.8
159.11670	33.6
160.11839	1.1
177.05432	5.2
177.09100	4.6
177.12729	43.3
177.16327	10.5
178.04951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03925	1.8
55.01863	3.3
55.05503	4.5
56.96545	1.9
57.03414	1.6
59.04947	0.8
65.03931	1.4
67.05496	22.9
69.03408	1.5
69.06713	0.8
69.07056	8.5
69.31270	5.2
69.31685	1.6
71.04984	0.8
79.05483	28.3
79.05945	1.5
81.03419	3.4
81.07044	38.6
83.04960	2.6
83.08608	4.4
85.06536	0.8
89.03884	1.1
91.05466	36.4
92.05816	0.8
93.07030	50.0
94.07343	1.1
95.04963	9.3
95.08590	11.1
97.06516	8.0
98.21442	1.2
98.98445	5.7
99.08070	1.3
105.04539	0.7
105.07011	22.6
106.04056	0.6
107.04935	2.5
107.08575	22.0
109.06504	4.6
109.10145	2.1
111.08058	3.2
115.05431	1.1
116.06248	1.2
117.03371	2.4
117.06999	23.4
118.07265	0.8
119.08566	6.5
121.02869	0.8
121.06488	4.8
121.10122	18.3
123.08059	1.2
129.06963	2.1
130.07784	0.8
131.04918	0.9
131.08548	32.1
132.08911	1.0
133.10106	31.5
135.08034	5.7
135.11656	10.5
142.04596	0.7
144.09323	1.9
145.02829	2.1
145.06783	1.7
147.08028	0.9
149.02309	6.9
149.05956	2.4
149.09624	4.1
149.13232	19.6
153.09131	1.1
154.07289	1.8
157.10051	0.7
159.08047	2.9
159.11670	46.5
160.12027	2.1
177.05455	5.1
177.09282	5.0
177.12724	100.0
177.16234	8.7
178.13046	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	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	1.1
55.05503	14.2
57.07075	1.1
62.56876	0.9
67.05489	7.3
69.07058	23.9
71.14267	1.5
71.14608	1.0
71.70966	0.8
71.90878	0.9
79.05482	23.6
81.07048	78.4
83.08607	11.9
84.85320	0.9
91.05464	7.1
93.06466	1.7
93.07030	31.5
95.04961	1.6
95.08596	49.0
97.10161	7.2
105.01835	1.0
105.07015	4.5
107.08583	100.0
108.08910	2.0
109.06537	1.6
109.10139	13.1
119.08547	2.2
121.10127	81.2
122.10454	2.0
133.10098	1.0
135.11661	13.3
149.02333	1.2
149.13240	5.1
177.16365	82.1
178.16708	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	178.1225
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
50.19216	0.4
50.33091	0.4
53.03952	0.4
54.03448	0.6
55.01873	2.4
55.05500	0.6
55.58257	0.5
56.05014	1.3
56.96558	2.6
57.03435	0.6
59.06105	0.7
60.95813	0.7
65.03918	0.9
66.04700	0.5
67.05500	2.1
68.05016	0.9
68.94901	0.4
68.99767	0.6
69.04533	0.6
71.62600	0.5
71.74686	0.5
72.04503	0.9
73.02879	0.6
77.03912	1.2
79.05472	2.1
80.05009	0.6
81.03391	0.7
81.04543	1.1
81.07043	1.0
83.04957	0.5
83.06076	1.3
84.08103	0.5
87.05590	0.5
88.02202	2.2
89.03909	1.6
90.04234	1.2
91.05483	4.4
92.05807	0.7
93.04496	0.6
93.07025	1.0
94.04166	1.2
94.07330	0.5
95.04506	0.4
95.04974	4.0
95.06042	2.1
95.08604	0.8
96.04443	0.7
97.02863	0.6
97.03996	0.6
97.06416	0.4
98.07199	0.5
99.05565	0.4
101.07148	0.5
105.03382	5.0
105.07024	3.1
106.06564	0.4
107.04916	1.7
107.06075	0.8
107.08560	0.8
108.05550	0.5
109.02880	0.7
110.07157	1.3
111.05562	0.4
115.05469	0.9
116.98590	0.5
117.03358	1.3
117.07021	2.0
118.03680	2.6
118.06540	5.0
118.96761	1.9
119.01896	1.0
119.04961	3.1
119.07326	6.7
119.08177	0.6
119.08553	0.9
120.02022	1.2
120.05535	0.9
120.08131	0.6
121.01620	0.7
121.10110	0.7
122.06011	0.5
122.07117	0.7
122.10448	0.7
123.04428	10.6
123.05366	0.7
123.09200	0.6
124.08646	0.6
132.04393	1.3
132.08064	1.3
133.02841	18.7
133.06464	1.7
133.10095	1.9
134.09641	53.4
134.99658	0.9
135.04468	2.3
135.09981	1.0
136.07542	0.5
136.08572	0.7
137.05980	0.7
137.08200	4.6
138.06627	0.7
139.02663	0.5
146.03120	3.7
147.03406	0.4
147.04420	5.5
149.06027	0.5
150.03093	4.3
150.05367	0.7
150.06410	0.9
151.03912	5.7
151.07579	0.7
151.09813	0.8
151.11070	0.6
152.08174	1.2
155.99677	0.6
160.03917	0.6
160.07512	0.8
160.11111	1.2
161.02296	5.4
161.05977	2.2
161.08194	1.0
161.09534	0.9
162.06662	0.6
162.09102	1.8
163.07649	0.6
163.09840	0.7
174.00746	2.8
177.98024	0.5
178.02496	1.4
178.04837	6.4
178.08734	1.9
178.11093	4.1
178.12250	100.0
179.03386	34.8
179.06932	2.7
179.09279	1.7
179.10667	2.4
179.12581	4.0
192.01743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.0
55.05491	1.0
56.05018	0.7
56.96289	0.8
56.96558	14.8
57.07073	1.1
58.99872	0.6
67.05490	0.8
68.05006	1.1
69.07064	0.9
71.60416	0.9
77.00900	0.7
79.00635	0.8
79.05484	1.5
81.03380	0.5
81.04529	1.1
81.07027	2.1
82.01462	0.8
82.99815	0.8
83.04943	0.6
83.06087	1.9
91.05486	4.3
93.07039	1.8
95.04948	2.2
95.06087	2.5
95.08601	1.5
96.50553	0.9
97.01677	0.7
97.99168	0.6
98.00935	0.6
98.97565	1.9
99.33389	0.5
100.02475	4.3
101.00865	8.0
102.02225	0.8
103.02409	0.7
105.07023	3.8
105.51058	0.6
107.08578	1.5
108.04472	1.0
109.02869	0.8
109.06508	0.6
109.07690	0.5
109.10134	0.7
110.07131	0.8
114.52966	0.7
115.01163	1.6
115.02400	0.8
116.00208	1.3
116.01950	2.2
116.98633	1.6
117.06992	0.6
117.50736	0.5
118.03497	4.7
118.98220	1.3
119.01910	100.0
119.04889	4.8
119.08540	1.7
120.01997	4.9
120.03240	0.6
120.05508	0.7
121.01614	1.0
121.03458	0.6
121.06460	0.7
122.07207	0.8
130.52574	0.6
133.02396	0.8
133.03458	10.4
133.04568	2.4
133.06480	1.8
133.10117	2.8
134.01326	1.1
134.02969	17.6
134.06007	0.7
134.07118	0.5
134.99681	2.6
135.03052	0.5
136.04512	0.9
136.99214	1.3
137.02945	56.8
137.08200	4.4
137.09135	0.5
137.09694	0.8
137.98642	0.6
138.03049	2.6
138.06635	0.9
138.98909	0.6
139.03528	1.7
141.50250	1.1
142.03491	5.3
143.01888	1.0
143.08534	0.8
144.06358	0.7
145.10115	0.5
146.03574	0.7
146.06754	0.8
146.53856	0.7
146.56848	1.4
147.04372	6.1
147.55290	0.6
149.06589	0.6
151.02669	0.6
151.04561	5.6
152.04007	3.6
152.08171	1.3
153.00642	0.6
154.59090	1.3
155.07260	0.8
155.57394	2.3
155.99667	5.1
156.00815	1.0
156.03249	0.9
156.03682	0.9
156.05032	8.0
156.06216	0.6
156.97365	0.7
157.03458	0.9
157.04576	10.1
160.04544	2.1
160.05840	0.6
161.02939	21.9
161.05849	3.2
161.08307	0.8
161.09622	2.8
161.13246	0.8
162.03076	1.2
162.10394	0.6
165.06932	0.8
174.00742	16.6
174.04189	1.2
174.06056	2.9
174.98666	0.6
175.04370	1.1
175.05750	1.1
176.50497	0.5
178.07832	0.5
179.04010	45.0
179.06917	3.3
179.09209	2.3
179.10701	2.4
179.12856	0.6
179.14354	1.3
179.99063	0.5
180.04143	2.1
184.04565	1.9
192.01801	3.2
197.02412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	4.7
55.01867	11.3
55.05503	26.1
56.96548	4.5
57.03417	3.2
57.07040	1.3
59.45727	1.0
65.03905	3.1
67.05493	100.0
68.05804	1.0
69.03419	1.4
69.07053	15.0
70.52558	2.2
70.52946	2.2
71.04971	2.1
79.05479	65.9
80.05812	2.1
81.03407	25.1
81.07044	96.4
82.07364	2.4
83.04969	32.9
83.08607	17.1
85.06519	4.9
91.05466	52.6
93.07028	42.6
95.04959	15.3
95.08591	77.3
96.08907	1.6
97.06516	32.8
97.10149	4.3
99.08070	4.1
105.07015	30.4
107.08579	12.2
109.06494	8.5
109.10140	14.8
111.08056	8.4
113.09615	11.0
117.07008	1.5
119.04887	3.0
119.08563	32.3
120.08942	0.9
121.10117	7.5
122.85023	1.0
123.04417	2.0
123.08058	5.9
131.08568	1.6
133.06482	1.8
133.10104	22.4
135.11673	8.3
137.05905	1.3
137.09558	2.6
147.04398	5.6
159.11690	1.4
161.05962	4.1
161.09569	1.3
161.13240	21.7
164.04088	1.0
179.03394	4.6
179.06898	3.6
179.10742	3.1
179.14281	72.7
180.14607	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	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.02386	0.3
53.03954	0.2
55.05515	0.2
56.96561	0.9
60.69756	0.2
61.14083	0.2
65.03935	0.3
71.25552	0.3
71.25865	0.3
76.42966	0.3
79.05495	2.8
84.83402	0.2
88.17715	0.2
89.03908	15.2
89.90469	0.2
90.04226	0.3
91.05480	1.3
93.07019	0.3
95.04967	1.0
98.97572	7.1
104.28764	0.2
107.04947	5.3
111.04429	0.8
116.98615	8.1
117.03368	18.3
118.03724	0.5
119.01841	0.3
119.04902	0.3
122.07182	0.2
125.06005	0.3
134.99663	5.5
135.04402	37.5
136.04750	1.0
139.03911	0.6
140.00136	0.5
145.02835	21.1
146.03146	0.4
153.00677	0.9
158.01271	0.7
163.03889	100.0
164.04231	2.5
181.04926	0.8
181.12247	0.4
186.05479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03952	0.3
53.16689	0.3
55.05501	0.4
56.05033	0.4
56.96559	6.8
57.07079	0.5
59.06114	1.0
60.04527	0.4
65.03925	1.0
65.28330	0.3
67.05489	0.6
68.05034	0.5
69.73248	1.1
69.73689	1.3
71.05025	0.3
71.95259	0.9
79.05485	3.7
80.24178	0.3
80.73745	0.3
81.04554	0.4
81.07021	0.6
81.64715	0.3
82.06587	0.3
83.04969	1.0
83.06097	0.9
89.03907	13.0
91.05470	2.2
93.07027	1.3
95.04962	2.1
95.06081	1.0
95.08559	0.5
97.02886	0.3
97.06528	0.6
97.07640	0.9
98.07161	0.5
98.20792	0.4
98.97572	32.6
99.05560	0.7
103.05469	0.6
105.04491	0.6
105.07004	0.7
107.04938	4.9
107.08588	1.4
109.06488	0.4
109.07607	0.7
111.04426	1.3
111.07990	0.4
116.98607	43.8
117.03368	14.9
117.04211	0.6
117.06975	0.4
118.03682	0.5
119.04939	0.7
121.02833	0.4
121.06482	1.1
121.10137	1.6
122.07151	1.5
123.05519	0.6
123.08013	0.5
123.09142	0.4
124.08711	0.4
125.05974	1.1
125.07058	0.5
134.99644	46.7
135.04399	34.9
135.08032	0.9
135.11671	0.8
136.04736	0.5
136.08607	0.4
137.05945	1.0
138.06590	0.6
138.10265	0.4
139.03905	1.2
139.09770	0.8
140.00145	1.6
140.08176	1.0
145.02832	18.8
145.10118	0.7
146.03172	0.6
149.05975	0.6
153.00691	10.8
153.05453	0.5
158.01236	5.6
163.03886	100.0
163.11136	1.2
164.04231	2.3
164.08182	0.9
165.06966	0.6
166.07764	0.7
176.02263	1.2
181.05099	1.8
181.06389	0.5
181.08556	1.2
181.10756	1.7
181.12267	1.4
183.75841	0.3
186.05389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
56.96560	1.4
59.01320	0.2
59.06098	0.4
63.02378	0.3
65.03935	0.4
69.07048	0.3
70.06590	0.3
71.29412	0.5
72.14590	0.2
78.96964	0.3
79.05492	1.6
81.03382	0.4
81.04559	0.3
81.07040	0.4
83.04961	0.3
83.06094	0.6
84.04519	0.3
89.03907	8.5
90.25364	0.2
91.05461	1.0
93.07011	0.4
95.04961	0.9
95.06088	0.4
98.97572	11.2
99.05544	0.3
100.22343	0.2
107.04940	3.7
107.08624	0.3
109.07559	0.3
111.04415	1.0
111.08006	0.3
116.98608	13.2
117.03368	10.5
117.04210	0.4
118.03731	0.3
121.10118	0.4
122.07124	0.3
125.07111	0.3
134.99648	12.7
135.04402	26.2
135.08051	0.5
136.04697	0.7
139.03879	0.5
140.00197	0.4
145.02832	17.1
145.03824	0.6
146.03174	0.5
153.00693	2.4
158.01241	1.0
163.03888	100.0
164.04222	2.8
166.07722	0.4
176.02275	0.4
181.05025	1.3
181.10782	0.5
181.12172	0.5
186.05475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.90964	1.2
55.01854	1.9
55.05492	3.2
56.05014	5.5
56.96556	2.8
57.04540	3.1
57.07071	28.9
59.04978	2.8
59.06100	2.5
67.02963	2.7
68.05013	3.1
69.03407	1.6
69.07034	3.8
70.06570	5.1
70.69994	1.1
71.06095	4.7
76.26553	1.2
79.05485	7.2
81.03411	7.0
81.04519	3.5
81.07021	4.0
82.06547	2.7
83.04974	45.6
83.06071	1.9
84.08105	1.3
85.07623	1.5
90.29687	1.2
91.05452	2.6
93.07018	5.9
95.04955	17.7
95.06045	3.1
96.56063	1.3
97.06528	27.4
97.07604	6.2
98.06036	1.3
98.07145	4.1
98.20839	4.9
98.21516	2.2
98.97586	12.2
99.05563	18.7
99.09161	1.6
100.26683	1.4
105.07014	4.0
107.04941	2.1
107.08585	7.1
109.07617	1.8
110.07140	3.3
111.08011	1.5
111.09191	3.4
112.08719	4.1
113.07042	1.3
116.97206	1.8
116.98595	17.5
117.06970	1.6
119.08524	3.5
121.06456	2.8
121.10108	10.1
122.07137	4.5
122.76141	1.2
123.05537	1.9
123.09148	6.1
125.05981	85.2
126.06404	1.9
134.99641	34.7
135.11632	4.6
136.08653	2.9
138.06569	2.0
138.10245	4.9
139.08708	2.7
139.09740	4.4
140.00145	4.8
140.08138	3.5
145.10121	9.2
153.00711	7.6
153.61385	1.2
158.01225	13.4
163.03993	1.4
163.11169	100.0
164.08188	1.9
164.11708	6.4
166.07751	1.2
176.02254	3.2
181.02823	2.4
181.10788	6.0
181.12202	44.6
181.14508	6.4
186.92996	1.3
189.65904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.56414	0.9
52.84685	0.8
53.03932	1.2
55.01860	2.0
55.05505	5.3
56.96331	0.9
56.96560	10.5
57.03424	1.3
57.06825	1.1
57.07072	16.8
59.04991	2.3
59.06098	2.0
60.04508	1.2
61.52335	0.7
62.37452	0.8
65.03915	1.4
65.55732	0.9
67.05479	3.4
69.03417	1.7
69.07061	5.6
70.06544	1.0
71.04962	2.0
71.13600	2.0
79.05482	9.6
80.83152	0.8
81.03410	4.5
81.04510	1.1
81.07050	8.7
83.04974	33.8
83.06108	1.6
83.08584	3.2
84.04454	0.8
85.02875	1.0
85.06513	0.9
91.05479	6.5
92.90621	0.8
93.07029	13.3
93.12157	0.7
95.04955	17.1
95.06059	1.4
95.08609	4.6
96.05625	0.8
97.06521	20.0
97.07611	1.7
98.07143	1.0
98.97575	49.3
99.00156	0.8
99.04424	1.0
99.05573	2.3
103.05434	2.1
105.07059	4.9
107.04927	2.8
107.08586	12.4
109.06481	2.9
109.07628	1.7
109.10171	0.9
110.03652	1.1
111.04420	1.7
111.08059	1.8
116.98609	76.2
117.07005	2.1
117.98915	1.3
119.08562	4.6
121.06471	7.4
121.07694	1.0
121.10132	19.1
122.07108	2.8
123.04494	1.0
123.05475	1.5
123.08025	4.1
123.09188	1.0
125.05981	50.7
126.06343	1.5
127.07520	0.9
130.07721	1.4
134.99646	100.0
135.04396	2.7
135.08058	4.8
135.11679	9.0
135.99954	1.2
136.03883	0.9
136.07574	19.4
136.08583	1.4
137.05910	2.6
137.09583	2.0
139.03893	1.5
139.07451	1.3
139.09729	1.4
140.00150	3.8
140.08162	3.7
145.02872	1.3
145.10112	10.8
149.02342	1.4
149.05951	3.2
153.00705	25.4
153.07019	1.1
153.09053	1.6
154.09769	1.2
158.01225	14.0
163.03909	4.3
163.11166	59.2
163.14784	1.7
164.07047	13.0
164.08307	1.5
164.11514	2.4
165.06958	3.0
166.07718	4.0
176.02289	3.9
176.60976	0.9
181.04926	2.7
181.06453	1.8
181.08540	3.5
181.10110	3.5
181.12199	29.3
181.15758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.05496	4.5
57.03426	1.4
57.07058	2.0
58.02953	22.1
67.05160	1.0
67.05495	14.8
69.07059	47.8
69.54624	3.4
69.55049	1.7
70.06565	1.6
70.31016	0.6
71.04975	0.8
72.44666	0.5
74.06068	0.8
76.27561	0.5
79.05481	3.5
81.07047	12.9
82.06566	0.7
83.04966	1.0
83.08603	5.7
84.04444	0.7
84.08134	7.2
85.06553	0.6
91.05460	3.8
93.07031	6.2
95.04956	2.9
95.08603	3.7
97.06504	2.8
98.06033	1.5
98.09674	2.0
98.97553	2.3
98.98487	0.7
99.97906	0.8
100.07613	4.5
103.80850	0.6
105.03415	0.8
105.07010	11.0
107.08583	14.5
108.08931	0.7
109.06474	1.8
109.10144	38.8
110.10433	0.8
112.07577	2.4
114.09156	11.3
116.98597	2.8
117.98937	1.7
119.08540	0.8
121.10148	1.4
123.04388	0.9
123.08049	0.5
123.11689	6.5
126.09137	12.1
126.12785	1.5
126.79847	0.6
133.09087	1.3
133.10112	24.8
134.99591	3.3
135.11667	12.5
136.00000	1.4
138.11679	0.9
138.12750	14.9
140.10663	0.7
147.11693	4.3
151.11160	9.6
153.12715	10.3
154.15912	1.0
164.14320	2.0
165.12744	2.6
182.15382	100.0
183.11674	0.9
183.15678	3.2
199.24307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.87061	0.5
51.93062	0.6
56.72235	0.7
56.96554	0.7
60.07875	1.1
60.08158	15.7
60.95850	1.3
67.05518	0.8
71.07367	7.0
71.08080	1.7
86.09695	75.4
91.87553	0.7
98.21149	0.7
98.98451	11.8
101.95026	5.2
102.96841	1.2
104.10751	3.0
115.47392	0.6
119.96032	2.3
120.97868	1.5
124.99989	56.6
128.06192	1.5
129.06987	1.9
137.97060	3.1
138.98912	2.0
141.06920	0.9
142.07722	2.0
143.01022	1.7
143.08571	3.8
155.08470	0.7
155.98131	1.7
156.99866	0.9
157.10110	1.7
160.98697	1.2
162.06224	0.9
170.10953	1.0
178.99812	0.8
184.07320	100.0
185.07747	1.5
185.13226	6.9
201.96677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0723
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
58.06593	0.9
60.07868	1.2
60.08155	14.0
70.15822	2.4
70.24617	0.6
71.07367	8.0
71.79108	0.8
86.09695	75.1
86.67504	0.7
87.10027	0.9
98.20831	1.3
98.21387	1.2
98.98457	12.3
101.94978	0.9
104.10757	3.3
105.03356	0.7
124.99989	61.5
128.06213	0.8
133.65234	0.8
138.99020	0.8
143.08575	1.6
157.10190	1.0
170.10962	0.7
184.07318	100.0
185.07686	1.2
185.13235	2.7
192.17525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03936	1.6
55.05493	3.5
56.96551	1.9
57.03430	1.7
57.07066	3.1
59.05014	1.3
59.91995	0.5
67.05493	8.3
69.03428	0.9
69.07078	4.1
69.81007	2.2
69.81418	1.6
70.06583	2.3
72.08153	1.7
72.39085	0.6
73.02900	1.0
79.05479	17.7
81.07047	100.0
82.07381	1.1
83.05002	0.9
85.02896	1.1
86.09702	1.9
87.04436	1.1
91.05486	3.5
93.07034	19.4
95.04974	1.1
95.08591	12.1
97.06522	5.0
97.07604	0.6
98.98589	0.6
99.92567	0.7
102.96870	0.8
105.07014	4.5
107.04954	2.6
107.08581	2.9
109.06545	0.9
109.10114	3.0
111.08092	3.0
114.05515	0.7
115.05439	0.9
118.62045	0.6
119.08556	1.4
120.97905	1.5
121.06490	0.8
121.10128	51.5
123.08060	2.9
123.11693	24.9
123.16753	0.6
125.02351	0.6
125.05978	22.0
125.09682	0.7
128.06203	6.1
129.06981	8.2
131.08574	1.2
139.01823	1.1
139.11168	11.3
141.07004	2.8
142.07762	7.3
143.08542	17.4
144.09262	1.4
149.09590	5.0
149.13165	0.6
153.05571	1.0
155.08549	2.8
155.10657	0.7
156.09361	3.6
157.10112	11.3
162.06212	1.3
167.10661	46.6
168.11057	0.8
170.10892	4.3
181.02853	1.8
185.11705	8.6
185.13272	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	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
50.19208	0.5
53.82583	0.6
55.05501	1.0
56.02234	0.5
56.96554	0.6
57.07039	0.7
67.05501	1.6
69.07069	0.8
71.62121	0.5
79.05482	1.9
81.07053	4.3
83.08597	0.7
84.04513	2.8
85.02928	0.7
88.02209	1.8
91.05479	3.3
93.07034	1.9
95.08586	2.0
98.20884	0.5
105.07020	8.0
105.41982	0.5
107.08568	1.1
109.10137	0.6
115.05438	0.6
117.06998	7.0
118.45527	0.5
119.08566	12.2
128.06223	0.9
129.06981	2.4
130.07758	5.6
131.08557	11.9
133.10103	1.8
141.06970	0.9
143.08556	6.4
144.09286	2.3
145.10104	100.0
146.10455	2.9
149.49174	0.5
157.10118	5.2
158.10930	4.5
159.08041	0.7
159.11681	14.0
170.10837	0.5
172.12469	4.7
185.13242	0.5
187.11273	4.4
187.14798	83.4
188.15089	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	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05505	1.1
57.07061	1.2
58.72938	0.5
60.04502	0.7
60.75237	0.4
65.03925	0.7
67.05493	1.5
68.24876	0.5
69.03413	0.6
69.07065	1.2
69.61290	4.1
72.70332	0.5
77.03880	0.4
79.05481	1.7
79.99713	0.6
80.56830	0.5
81.03394	0.5
81.07050	4.8
83.08595	0.7
84.04499	2.8
85.02890	0.8
88.02198	1.7
91.05467	4.9
93.07018	2.4
95.04963	0.6
95.08593	2.8
96.69746	0.5
98.21288	1.5
103.26454	0.6
105.07023	8.1
107.08582	1.7
113.00008	1.0
115.05440	1.1
116.06220	0.7
117.06995	8.0
119.08563	15.2
126.62679	0.5
128.06212	0.9
129.06993	2.7
130.07741	4.2
131.08551	15.7
131.09505	1.0
133.10143	1.7
141.06952	0.6
143.08542	6.6
144.09351	2.6
145.10103	100.0
146.10487	2.8
154.95056	0.5
157.10109	4.8
158.10904	6.0
159.06934	0.8
159.08105	0.6
159.11685	14.4
160.12001	0.6
169.10051	0.6
172.12460	5.7
185.13240	1.0
187.11336	3.6
187.14799	86.2
188.09270	0.8
188.15070	2.5
196.67250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.34865	0.3
51.42358	0.4
55.94437	0.4
55.95181	0.3
56.25402	0.3
56.96555	0.5
71.07268	0.5
71.07579	0.7
84.04485	3.3
85.02915	0.9
88.70400	0.3
88.74903	0.4
91.05462	2.7
102.35368	0.4
115.05447	5.4
116.26465	0.3
117.05779	1.0
117.06252	0.4
117.06999	4.3
118.06524	61.4
119.06861	1.1
120.95267	0.4
128.02293	0.4
128.07121	0.5
132.08073	0.5
137.02899	0.5
137.19743	0.4
142.06519	5.4
143.07278	9.7
144.04439	1.1
144.08066	23.3
145.06464	1.1
146.05988	100.0
147.06310	1.5
160.07535	0.8
170.05991	8.8
188.01656	0.5
188.07039	25.4
189.05573	0.4
189.07338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05510	0.4
56.05016	1.5
57.03416	1.3
59.04993	1.9
60.04511	1.0
61.02917	7.3
68.05003	0.4
69.03415	0.7
69.34969	1.3
69.35394	2.1
70.02946	2.1
71.01334	0.5
71.04986	1.8
73.00809	0.3
75.04459	0.7
82.06570	2.2
83.04972	3.5
84.04490	100.0
84.77466	0.3
85.02891	18.6
85.04823	1.0
85.06503	0.3
86.06052	0.7
87.04454	6.3
91.05460	1.3
96.04437	0.6
98.06022	0.5
98.20769	0.8
100.07604	1.6
105.06992	0.7
110.06026	2.7
111.04407	1.3
118.06535	0.6
119.08562	0.8
120.08086	0.7
121.06527	0.5
123.46597	0.3
126.05497	4.6
128.06207	0.7
128.07065	6.1
129.04570	0.3
129.05455	1.5
129.07028	0.5
131.04951	0.4
131.08537	0.6
133.10075	0.5
143.08524	0.6
145.10074	0.6
146.06061	0.3
146.07130	0.4
146.08176	0.7
146.17863	0.3
147.07993	0.5
153.98474	0.4
157.06493	0.4
160.09682	0.5
161.05959	2.9
161.09615	3.0
170.08066	0.7
171.11699	0.9
174.06735	0.6
188.07396	0.7
188.09174	12.8
189.09102	3.8
189.12706	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45704	0.9
54.51558	0.9
55.01860	4.1
55.05492	3.9
65.03922	2.0
67.05500	13.6
69.03446	0.9
69.07054	4.8
69.19151	1.3
70.87120	3.0
71.05002	1.0
79.05483	11.9
81.07043	13.0
81.91680	0.9
83.04981	1.8
83.08588	1.9
85.06531	1.3
91.05473	57.6
93.07034	9.4
95.04962	3.9
95.08592	8.5
95.70219	0.9
97.06515	4.1
103.05441	2.1
105.07021	34.8
107.04922	2.7
107.08569	6.0
109.06512	2.4
109.10162	1.4
115.05450	3.1
117.07002	14.6
119.08567	21.0
121.06498	4.5
121.10103	2.3
123.08086	1.4
128.06203	6.9
129.06985	28.0
130.07759	2.3
131.08557	6.4
133.06474	3.6
133.10109	19.7
135.08047	1.3
142.07726	1.1
143.08543	20.7
145.10107	25.9
147.08018	6.1
147.11681	12.7
156.09302	3.4
159.11685	1.8
161.06030	1.1
161.09616	13.6
161.13225	14.2
171.08154	1.6
171.11679	45.4
172.12056	1.1
189.09163	7.0
189.12724	100.0
189.16328	13.7
190.08508	1.0
190.13034	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.8
56.64224	0.8
69.03411	3.1
70.86381	2.0
70.86716	0.7
71.98835	0.9
79.05495	1.7
81.07059	1.0
91.05477	6.1
95.04915	1.4
103.05448	0.8
105.07022	10.8
107.08588	1.9
115.05445	2.5
117.06990	5.2
119.08564	14.6
121.10143	1.2
128.06204	4.2
129.07008	4.9
130.07773	3.0
131.08566	4.9
133.06474	3.3
133.10112	5.2
141.06976	6.3
142.07822	0.8
143.08556	7.9
144.09305	2.3
145.06480	0.8
145.10114	18.6
146.10826	1.3
147.08047	7.4
147.11676	13.2
155.08534	3.3
156.09331	40.8
157.09691	1.2
159.07977	4.2
159.11697	12.7
160.08792	1.0
161.05977	2.0
161.09593	5.1
161.13228	3.3
171.11679	61.0
172.12051	2.2
174.06708	1.2
174.10385	6.4
175.04149	1.0
189.05466	2.2
189.09152	5.3
189.12724	100.0
190.13065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01861	1.4
55.05502	6.4
57.03422	1.0
57.07060	1.9
59.04992	1.0
65.03909	1.2
66.50423	0.7
67.05496	5.7
69.03066	1.3
69.03419	15.0
69.07057	5.4
69.93015	3.4
70.06630	0.7
70.79546	0.7
71.04982	7.0
72.08139	0.7
79.05482	6.5
79.44212	0.7
81.07047	7.6
83.04980	3.5
83.08592	1.0
84.04460	2.3
85.04826	2.5
85.06520	1.1
91.05472	20.3
92.05782	0.7
93.07042	9.0
95.04952	3.5
95.08572	3.5
97.02901	0.8
97.06512	1.5
98.21259	1.5
103.05433	1.9
105.07021	42.5
107.04921	1.9
107.08571	8.6
109.06489	2.8
115.05436	2.6
116.06217	1.0
117.06998	7.8
119.04943	6.1
119.08564	49.1
121.06509	3.7
121.10114	2.7
128.06190	9.7
129.06992	11.9
130.07732	2.1
131.04921	2.6
131.08556	14.1
132.05663	1.3
133.02826	0.8
133.06473	9.4
133.10112	20.3
135.08043	7.0
141.06989	4.0
142.07751	2.5
143.07471	1.2
143.08546	19.3
144.09351	0.9
145.06494	5.1
145.10115	13.8
146.07268	4.5
146.10843	1.6
147.08025	22.3
147.11664	28.8
148.05147	2.3
149.09607	1.2
155.08501	1.1
156.09335	22.1
157.06450	2.8
159.08018	8.2
159.11673	5.4
160.08804	4.7
161.05965	14.2
161.09598	30.1
161.13235	31.7
161.14589	1.7
162.10019	1.1
162.13683	0.9
171.08057	2.0
171.11667	30.3
171.13835	1.6
173.09612	1.0
174.06767	3.1
174.10399	18.4
178.58727	0.8
189.05418	2.1
189.09117	30.3
189.12720	100.0
189.16351	2.5
190.09413	1.2
190.13020	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18671	0.7
55.05505	1.6
67.05486	1.5
69.03423	4.2
69.03735	0.8
70.88786	2.1
76.19172	0.8
78.78788	0.7
79.05457	1.4
81.07063	1.3
84.04508	0.8
91.05483	6.8
93.07034	1.3
95.04914	1.1
95.08571	1.2
103.05442	0.9
105.07030	11.7
107.08598	1.9
115.05436	1.5
117.07022	3.6
119.04948	1.1
119.08575	17.1
121.06522	1.2
121.10088	1.3
128.06206	3.4
129.07007	5.0
130.07777	5.1
131.08554	7.2
133.06491	2.4
133.10094	6.8
135.50612	0.7
141.06967	5.9
142.07809	0.8
143.08571	7.4
143.35609	0.7
144.09293	2.2
145.06483	1.3
145.10118	18.7
146.07220	1.6
147.08046	6.6
147.11678	13.7
155.08539	2.3
156.09334	42.6
157.09596	1.2
159.08020	4.3
159.11674	13.4
160.08846	0.9
161.05957	2.5
161.09618	7.1
161.13245	3.1
171.11679	60.2
172.12012	2.1
174.06808	1.0
174.10384	7.7
189.09152	10.8
189.12729	100.0
189.16350	2.6
190.13049	3.1
195.49142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05507	5.5
67.05482	4.4
69.03419	9.3
69.07050	4.1
79.05497	5.3
81.03346	1.1
81.07056	7.2
83.04974	2.2
83.08586	1.2
84.04465	1.4
85.04838	1.4
91.05468	15.6
93.07044	7.3
95.04966	2.3
95.08584	6.6
98.26138	0.9
98.87581	1.0
98.93336	1.0
105.07018	37.4
107.08583	5.4
107.47216	0.9
109.06528	1.4
109.10135	1.4
115.05447	3.1
117.07007	8.6
119.04944	5.8
119.08569	42.0
121.06499	2.4
121.10117	2.3
128.06216	10.2
129.06998	7.9
130.07762	2.9
131.08571	11.7
133.06476	10.6
133.09219	1.6
133.10120	18.7
135.08002	7.8
141.06947	4.4
142.07713	1.8
143.08537	22.3
144.09261	1.1
145.06458	3.6
145.10106	18.4
146.07277	2.2
146.10818	1.7
147.08031	21.6
147.11671	24.3
148.08543	1.0
155.08525	1.3
156.09322	27.3
157.06494	1.3
159.08032	5.8
159.11661	4.9
160.05208	1.8
160.08820	3.5
161.05928	3.8
161.09601	22.8
161.13245	20.0
171.08037	3.6
171.11681	41.7
173.09503	1.1
174.06726	2.6
174.10381	11.6
189.05423	1.9
189.09129	18.5
189.12717	100.0
189.16330	10.0
190.08652	2.6
190.13060	3.6
203.54150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05498	2.9
56.96550	2.9
58.46813	1.0
67.05490	2.2
69.03401	4.2
69.07053	1.3
70.86247	2.6
70.86597	1.5
79.05460	3.1
81.07040	3.1
91.05045	1.1
91.05486	12.4
93.07021	3.4
95.04956	1.5
95.08569	2.5
98.97569	1.5
105.07028	18.0
107.08581	2.4
115.05454	3.7
116.06210	1.6
116.98604	1.5
117.07001	7.6
119.07784	1.8
119.08569	20.0
121.06462	1.8
128.06206	6.1
129.06998	6.5
130.07739	3.4
131.08571	10.5
133.06509	5.4
133.10136	8.5
134.99623	2.0
141.07001	6.9
142.07838	1.6
143.04869	1.6
143.08525	14.2
144.09293	2.2
145.06371	2.2
145.10097	21.8
146.07213	1.7
147.08043	8.8
147.11667	13.0
148.08687	1.2
155.08490	1.6
156.09335	37.5
157.06390	1.6
159.08008	4.7
159.11713	7.4
160.08774	2.5
161.05963	4.2
161.09618	16.0
161.13239	3.6
163.03897	4.7
166.03708	2.0
171.08047	2.1
171.11685	53.5
172.12038	1.8
174.06766	3.0
174.10403	8.0
189.05522	6.9
189.09138	14.7
189.12724	100.0
189.16368	4.8
190.13133	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.01872	1.1
55.05508	7.3
56.96546	1.7
57.07065	1.2
58.20711	1.1
63.08660	1.1
65.69783	1.1
65.94146	1.1
67.05487	6.2
69.03397	2.0
69.07053	9.6
71.76408	1.2
76.21395	1.2
79.05470	4.2
81.07053	8.6
83.04981	2.2
83.08605	2.6
85.02898	2.5
87.37089	1.0
91.04956	1.5
91.05472	16.2
93.07029	6.6
93.45110	1.1
95.04983	1.6
95.08590	25.6
105.07015	35.2
107.08571	11.9
109.06474	1.8
109.10124	4.9
111.04403	1.7
115.05432	3.0
117.07012	8.7
119.08562	56.0
121.02824	1.5
121.06514	1.5
121.10125	4.5
128.06195	5.7
129.06961	4.0
130.07751	2.4
131.08566	9.0
133.06479	3.0
133.10112	42.5
135.08086	1.5
135.11716	1.3
142.98634	2.5
143.08546	15.2
145.10115	19.0
146.10805	1.6
147.08040	4.7
147.11678	37.1
148.11923	1.2
149.02307	5.8
155.04681	1.7
156.09319	8.4
159.11673	3.3
160.12431	4.4
161.05931	1.4
161.09561	17.5
161.13255	11.1
171.08061	4.3
171.11646	10.8
174.06721	1.3
174.10381	1.3
174.14084	2.9
189.05467	2.0
189.09070	12.2
189.12718	35.0
189.16359	100.0
190.08479	2.1
190.16693	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01992	0.2
55.05513	0.3
56.05025	0.4
56.96560	2.7
57.03432	0.3
59.06113	0.9
60.04509	0.3
69.03418	0.7
71.52211	0.4
71.52558	0.4
72.08146	0.4
72.93771	0.5
73.02911	0.3
79.05473	0.4
83.06075	0.3
85.02905	0.4
86.06048	0.3
87.04375	0.4
87.05591	0.6
89.03911	1.1
91.05466	0.7
92.05816	0.4
93.07034	0.5
97.02877	0.8
98.97570	0.6
105.06998	0.8
106.07368	0.3
107.04909	0.4
111.04448	0.3
114.06632	0.2
114.71145	0.2
116.04945	2.4
116.98608	1.3
119.08570	0.3
120.08863	0.5
121.02859	0.7
121.06404	0.3
121.50793	0.3
129.06506	0.4
129.10236	0.3
130.06163	0.2
131.08482	0.3
131.97398	0.3
132.95825	0.4
133.10120	0.3
134.06001	0.5
134.99631	1.7
135.04367	1.0
135.08066	0.3
142.06129	0.3
144.04381	0.5
144.08897	1.0
145.02817	0.3
145.06436	0.3
145.10089	0.9
146.05968	0.7
146.10429	0.5
147.96852	0.6
148.97357	0.4
149.02341	0.4
149.03514	0.3
150.00749	0.3
150.96881	0.5
150.99071	0.4
153.00699	0.4
158.01314	0.2
162.05478	100.0
163.03885	2.1
163.05849	2.2
163.98651	0.2
165.97963	0.3
166.00148	0.5
167.05510	0.5
167.97131	0.4
169.03444	0.3
172.11980	0.5
173.05896	0.3
190.04961	46.1
190.08376	2.6
190.12987	1.2
190.16725	0.3
191.03455	0.4
191.05267	1.3
191.06900	0.3
191.10625	0.7
193.00116	0.3
196.43921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96560	1.4
57.01425	0.2
58.06582	0.2
59.06114	0.3
69.03424	0.4
69.93171	1.1
70.06616	0.2
71.04970	0.2
72.08139	0.2
72.93775	0.2
79.93284	0.2
81.03428	0.4
81.07046	0.3
83.82557	0.2
85.02902	0.7
87.04462	0.2
87.05587	0.3
89.03932	1.0
90.94818	0.3
91.05476	0.5
97.02888	0.5
98.97584	0.5
100.02500	0.2
105.07018	0.5
106.07344	0.4
107.08604	0.2
108.93228	0.2
111.04459	0.6
114.06641	0.2
116.04970	2.0
116.98607	0.7
117.07041	0.2
118.07362	0.3
119.08540	0.3
120.04436	0.3
120.08885	0.4
121.02853	0.7
121.06467	0.3
124.88945	0.2
127.03920	0.3
127.08640	0.2
128.98636	0.3
129.06541	0.4
131.04895	0.3
131.97353	0.2
134.05998	0.4
134.99664	0.7
135.04439	0.2
139.02402	0.2
139.03883	0.6
142.06126	0.2
143.38812	0.2
144.04414	0.4
144.08888	0.4
145.10089	1.1
146.10406	0.3
146.99669	0.5
147.04390	0.3
147.96938	0.2
148.08557	0.2
148.11987	0.4
149.02266	0.2
157.09692	0.3
162.05482	100.0
163.05875	1.7
163.09808	0.2
166.00221	0.3
167.05475	0.3
172.07417	0.2
172.11954	0.3
173.09479	0.2
173.22061	0.2
177.00676	0.3
185.07005	0.2
188.37506	0.2
190.04967	41.7
190.12991	0.8
190.16722	0.3
191.05278	1.1
191.06929	0.4
191.10736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0862
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
55.01861	1.1
55.05493	0.5
67.66678	0.4
69.03423	0.5
69.07073	0.6
69.59385	0.4
70.02057	0.8
70.02453	2.0
73.02910	3.6
79.05466	0.6
80.13593	0.4
81.07042	0.4
91.05466	2.2
91.66857	0.4
93.07020	1.0
95.08607	0.6
103.05450	2.0
105.07027	1.9
106.07363	1.6
107.04871	0.5
107.08569	1.0
115.05450	1.5
117.05734	0.9
117.07007	4.8
118.05691	1.1
118.06536	20.3
119.08540	0.6
119.97851	0.4
120.08868	0.7
121.02848	0.4
121.06507	0.7
121.10142	0.6
130.06516	100.0
131.04897	1.1
131.06953	0.9
131.08501	0.9
132.08025	3.3
133.02846	0.5
133.10101	0.7
134.10457	1.5
135.08002	0.5
142.06528	0.6
143.07298	4.4
144.08067	67.6
145.06474	2.0
145.08423	1.3
145.10089	2.3
146.05992	0.6
146.10480	0.6
147.04390	0.7
147.11595	0.4
149.02330	1.4
149.08183	0.5
154.06496	1.6
155.05977	0.9
160.07570	3.7
162.09950	1.4
163.07484	0.9
163.11096	0.7
167.05534	0.6
172.07547	21.5
172.12042	0.9
173.07973	0.6
173.09541	0.5
190.06239	0.7
190.08482	9.0
190.13010	1.6
190.16000	0.9
191.03391	1.0
191.06978	1.0
191.10606	0.9
191.14249	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1258
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99077	0.4
55.05478	0.5
56.96558	0.6
57.07070	17.1
59.99104	2.2
62.49060	0.3
62.99051	0.3
67.05502	0.4
69.03410	0.5
69.07077	0.4
71.63800	0.8
78.00144	28.7
79.05473	0.9
81.07030	1.0
84.08112	1.0
86.09704	7.4
88.02186	0.5
91.05495	0.8
92.01684	1.1
93.07037	0.9
95.08600	1.3
103.05430	0.6
105.07012	2.0
106.07346	0.9
107.08568	0.8
109.06455	0.4
109.10138	0.6
113.22971	0.3
116.05291	1.1
117.07005	0.8
119.08534	1.0
120.08887	0.7
121.10126	0.7
129.06540	0.6
130.06512	1.3
131.04939	0.4
131.08556	0.7
133.10104	1.1
134.06335	36.9
134.10368	0.6
135.06662	0.4
135.07997	0.6
135.11684	0.6
143.08536	0.4
144.08069	1.1
144.09009	0.7
145.10103	2.5
146.10399	0.7
147.11673	0.5
148.07837	2.7
149.02374	2.3
149.09634	0.6
152.75653	0.4
162.09944	1.1
172.11899	0.5
173.09534	0.8
173.13219	0.5
176.11902	0.5
190.12585	100.0
191.07059	0.9
191.10672	1.2
191.12799	2.1
191.14308	4.8
191.17905	0.7
193.37074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
55.05487	5.1
57.03450	1.4
57.07065	2.0
65.03927	2.2
67.05485	10.2
69.03416	7.0
69.07069	9.4
70.87981	3.6
71.04987	6.8
72.04511	2.1
79.05482	9.0
81.07047	10.6
83.04964	4.5
83.08590	3.2
85.06519	4.5
89.20690	1.2
91.05461	20.2
93.07006	15.7
95.04958	10.9
95.08588	14.9
97.06513	9.3
99.08066	1.5
103.02126	4.3
103.05455	6.8
105.07016	37.8
107.04922	3.4
107.08578	29.3
109.06493	25.9
109.10134	24.6
111.08033	1.3
114.05515	4.4
115.05425	1.9
116.06189	1.4
117.07004	9.2
119.08569	19.2
120.04766	3.5
121.06499	6.5
121.10126	19.0
123.08047	10.0
123.11653	3.2
129.06984	2.7
130.07745	2.1
131.04944	6.3
131.08543	49.7
133.06485	1.9
133.10110	100.0
134.10402	1.3
135.08040	34.7
135.09082	1.8
135.11650	4.8
143.08530	6.5
144.09283	3.4
145.06438	1.7
145.10107	22.8
146.05984	1.5
147.08072	2.6
147.11662	26.0
148.08670	1.9
149.06044	1.7
149.07317	1.6
149.09612	16.7
149.13228	17.1
150.10332	1.6
158.10893	15.2
159.04434	1.8
161.09624	2.1
161.13206	1.8
163.07504	4.4
163.11165	4.0
163.14786	4.6
173.09694	2.7
173.13242	59.2
176.04674	3.0
176.70483	1.3
191.06972	10.4
191.10686	12.6
191.14279	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72002	0.6
55.05489	2.5
57.07046	0.9
59.14649	0.6
67.05486	1.6
69.03429	5.4
69.07049	2.9
69.97561	1.3
69.97967	2.5
71.04972	1.4
79.05478	3.7
81.07036	2.2
83.04979	5.5
85.06516	1.7
91.05473	5.4
93.07039	5.4
95.04959	0.9
95.08603	3.0
95.74582	0.6
97.06512	3.7
98.20835	0.8
105.07018	15.0
107.04968	0.7
107.08582	16.1
109.06503	3.2
109.10122	2.2
117.06999	2.4
119.08553	5.1
121.06463	3.2
121.10142	9.7
123.08088	3.3
129.06961	0.9
131.08559	15.2
133.10121	58.6
134.10522	1.0
135.08046	5.9
135.11658	1.2
143.08557	2.1
145.10120	8.8
147.11688	4.6
147.79715	0.6
149.09625	3.3
149.13261	4.6
158.10898	6.5
161.09604	2.4
163.11089	0.9
163.14822	1.3
173.13251	23.6
174.13577	1.0
176.11917	0.8
191.14288	100.0
192.14642	2.2
212.66826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05507	2.2
57.03426	0.4
57.07067	1.0
65.03905	0.5
67.05477	1.6
69.03075	0.6
69.03422	7.6
69.07069	2.8
69.58988	3.7
71.04977	2.0
71.51887	0.4
79.05482	3.4
81.07028	2.6
83.04976	5.9
83.08598	0.8
83.97588	0.4
85.06515	1.0
91.05466	7.4
93.07040	4.4
95.04965	0.9
95.08604	3.4
97.06525	2.6
99.62578	0.4
103.05478	2.8
105.07021	15.2
106.96185	0.4
107.04907	0.8
107.08584	17.7
108.38895	0.4
109.06496	1.7
109.10146	2.3
111.08059	0.9
115.05436	1.1
117.07018	1.8
118.04143	0.7
119.04893	0.5
119.08569	5.5
121.06483	2.7
121.10123	6.9
123.08050	2.7
127.24944	0.4
129.06984	1.3
130.07797	0.9
131.04939	2.5
131.07568	0.8
131.08551	14.4
133.02867	0.8
133.10117	55.2
134.10446	1.1
135.08028	6.6
135.11639	1.6
143.08536	2.2
144.09314	0.8
145.10104	5.5
147.11662	5.2
148.05138	1.9
148.08781	0.7
149.09592	2.8
149.13252	5.9
158.10902	7.4
161.09599	2.9
163.07504	2.1
163.11122	0.7
163.14749	1.1
173.13245	23.9
176.11943	1.5
191.07056	2.1
191.14285	100.0
192.14626	2.2
196.14085	0.5
196.95438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42064	0.2
54.57533	0.2
55.05506	1.8
57.03394	0.2
57.07059	0.3
58.15950	0.2
59.04972	0.2
59.83245	0.2
62.45119	0.2
64.50211	0.3
67.05492	1.2
68.11202	0.2
69.03413	0.7
69.07069	2.8
70.49875	0.5
70.50272	0.5
71.04951	0.2
79.05482	2.0
81.07046	3.2
81.14326	0.2
83.08617	1.5
87.00138	0.2
91.05467	2.1
93.07031	5.2
95.04955	0.6
95.08039	0.4
95.08598	5.1
97.06528	4.6
97.10173	0.6
105.07021	3.3
107.04929	0.3
107.08582	9.0
109.06494	0.9
109.10150	2.9
111.08093	0.3
117.06998	0.5
119.08577	3.3
121.06489	3.8
121.10130	6.4
123.08048	0.8
123.11646	0.2
129.06998	0.4
130.07759	0.5
131.08562	5.4
133.06499	0.5
133.10126	2.4
135.08035	1.6
135.11688	4.5
143.08536	0.7
145.10107	2.7
147.08049	1.8
147.11658	1.7
148.08820	2.0
149.09613	2.6
149.13231	1.7
158.10893	0.8
161.09599	1.8
161.13188	0.4
162.10374	1.3
163.11151	0.4
163.14812	1.6
173.09576	0.5
173.13245	3.1
175.11185	0.6
176.11948	12.3
191.14287	100.0
191.17870	6.9
192.14638	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.10858	0.3
52.72301	0.3
53.03915	0.3
53.23306	0.3
55.05492	0.9
57.07041	0.5
65.15295	0.3
67.05466	0.8
69.03419	0.7
69.07061	1.7
71.21071	0.9
74.17310	0.3
79.05489	2.0
81.07037	1.8
83.08597	0.7
91.05464	2.5
93.07029	3.4
95.08035	0.4
95.08601	3.6
95.60202	0.4
97.06522	5.5
105.07015	3.1
107.04999	0.6
107.08574	6.6
109.06514	0.6
109.10130	1.1
112.63338	0.3
117.07014	0.6
119.08564	3.6
120.28327	0.3
121.06503	3.4
121.10121	3.5
123.08034	0.5
129.07007	0.8
130.07759	0.3
131.08548	5.9
133.10143	1.9
135.08031	1.4
135.11653	1.7
143.08562	0.5
143.41083	0.3
145.10110	3.0
147.08023	2.1
147.11659	1.3
148.08821	2.4
149.09602	3.6
149.13239	1.1
158.10846	0.8
161.09587	2.1
161.13260	0.7
162.10391	1.0
163.11168	0.5
163.14789	2.7
173.09589	0.7
173.13255	3.3
175.11163	0.7
176.11952	12.6
191.14285	100.0
192.14697	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.39849	0.7
55.05510	3.4
57.07062	0.9
67.05477	2.4
69.03114	0.8
69.03426	8.8
69.07064	5.0
69.91399	4.0
71.04975	2.1
77.52988	0.7
79.05485	3.4
81.07055	3.8
83.04967	5.9
83.08616	1.3
85.06540	1.6
91.05475	7.6
93.07059	6.5
93.30154	0.6
95.04971	1.9
95.08601	4.8
97.06514	4.2
98.20985	1.8
103.05443	0.9
105.06374	1.3
105.07024	18.5
107.08591	21.8
108.08900	0.7
109.06506	2.8
109.10137	2.8
111.08055	1.0
115.05392	1.0
115.88081	0.7
116.06224	1.1
117.07025	2.4
119.08577	8.0
121.06521	3.3
121.10128	10.9
122.07195	0.9
123.08054	7.4
126.31697	0.7
129.06982	1.6
130.07758	1.3
131.08557	21.9
133.10120	59.6
135.08038	10.9
135.11644	1.3
143.08551	4.0
144.09328	1.7
145.10100	11.2
147.08051	0.7
147.11667	10.5
149.09610	6.5
149.13235	7.4
158.10902	8.7
161.09619	2.1
163.14792	2.3
173.13249	30.9
176.11934	1.4
191.06970	1.7
191.14290	100.0
192.14711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
57.07064	0.8
59.04986	0.5
65.78712	0.6
67.05475	1.5
69.03416	7.0
69.07058	3.9
70.74518	1.8
71.04971	2.4
79.05475	3.8
81.07047	2.8
83.04968	5.6
83.08617	1.3
85.06557	0.7
91.05467	7.6
93.07034	4.9
95.04958	1.0
95.08608	3.0
97.06513	3.7
98.21213	0.6
98.33344	0.5
103.05424	0.8
105.07021	15.1
107.08582	20.9
109.06487	1.8
109.10136	2.0
111.08029	0.6
115.05479	0.6
117.06988	1.8
119.08551	5.0
121.06522	2.9
121.10127	8.2
123.08035	3.7
129.06996	1.0
130.07758	0.7
131.08557	13.9
133.10112	62.9
134.10413	1.1
135.08044	6.2
135.11601	1.2
143.08499	2.9
144.09311	1.2
145.09033	0.6
145.10107	7.6
147.11678	6.6
148.08884	0.5
149.09608	3.0
149.13245	5.4
156.09300	0.6
158.10873	5.5
161.09605	2.2
163.07578	0.7
163.14803	1.2
171.11629	0.8
173.13243	24.7
176.11935	1.5
189.36243	0.5
191.14281	100.0
192.14650	2.1
214.88248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	0.8
55.05508	2.4
57.07062	1.3
67.05501	4.1
68.36282	0.7
69.03421	2.8
69.07050	4.9
70.32023	1.4
70.32426	1.6
71.04983	3.5
72.15967	0.6
79.05474	4.9
81.07047	5.9
83.04979	2.3
85.06521	2.2
91.05471	9.8
93.07030	6.7
93.59605	0.7
95.04964	3.7
95.08594	15.9
97.06525	11.4
103.05433	1.3
105.07013	24.5
107.04939	1.0
107.08585	14.5
109.06509	3.4
109.09522	0.7
109.10136	4.0
111.08061	1.2
115.05472	0.8
117.07011	2.2
119.08571	7.7
121.06483	4.5
121.10130	13.3
123.08067	4.8
129.06949	1.9
130.07822	0.9
131.08559	25.0
133.10115	100.0
134.10435	2.1
135.08054	5.9
135.11707	3.1
139.40356	0.7
143.08533	3.6
144.09358	1.3
145.10103	9.5
147.11674	7.3
148.08873	0.9
149.09631	6.4
149.13248	8.1
158.10887	7.7
163.11150	1.7
163.14780	4.3
171.11720	0.7
173.13246	42.4
174.13591	0.7
181.32179	0.7
182.08368	0.7
191.10677	1.3
191.14281	42.0
192.14572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01857	3.0
55.05501	10.2
55.54577	1.3
57.03431	1.8
57.07060	4.6
65.03927	1.4
67.05485	9.4
69.03419	15.7
69.07063	16.4
71.04980	2.6
72.07156	1.4
75.76521	1.3
77.03893	1.3
79.05047	1.8
79.05482	23.6
81.07047	10.8
83.04951	3.7
83.08579	4.2
83.30788	1.4
85.06525	2.7
91.05463	44.0
93.07030	24.2
95.04942	4.6
95.08592	9.6
97.06494	3.8
98.21126	2.0
103.05430	6.3
105.07012	64.2
107.04916	2.6
107.08578	53.8
109.02837	3.6
109.06501	6.7
109.10107	6.3
111.96660	1.2
115.05458	7.2
116.06210	3.7
117.07001	21.7
119.06006	1.9
119.08562	40.6
121.06493	9.1
121.10128	41.1
123.08028	7.8
127.59530	1.5
128.06194	4.3
129.06146	1.4
129.06998	15.9
130.07762	9.7
131.04782	1.5
131.08545	55.2
133.10114	62.5
134.10426	1.5
135.08034	23.3
135.11653	9.5
137.09552	3.6
143.08534	35.9
143.09659	2.2
144.09331	13.1
145.06456	3.7
145.10101	45.9
147.08037	3.0
147.11671	33.0
148.08623	1.5
149.05962	2.4
149.09631	9.3
149.13229	23.9
156.09282	1.4
157.10002	1.8
158.10892	26.1
160.85423	1.5
161.09541	2.7
163.07532	3.4
163.11197	1.6
163.14783	5.1
173.09676	2.2
173.11722	2.4
173.13226	48.2
176.11943	2.7
191.03398	1.5
191.07034	5.0
191.10779	6.3
191.14281	100.0
192.14635	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	0.5
55.05504	2.7
57.03428	0.4
57.07063	1.1
65.03927	0.4
67.05495	3.1
69.03423	8.5
69.07063	3.3
70.98988	0.7
71.04971	0.5
79.05486	5.1
81.07044	4.7
82.20576	0.2
83.04970	2.2
83.08618	1.1
85.06490	0.3
91.05470	5.7
91.05999	0.4
92.58968	0.3
93.07031	5.2
95.04958	1.4
95.08592	2.4
97.06557	0.4
103.05468	3.4
105.07024	11.0
107.04946	3.0
107.08582	17.6
109.06492	1.4
109.10143	6.0
115.05465	1.1
117.06969	1.6
118.07761	0.6
119.05989	0.4
119.08574	3.7
121.06506	2.5
121.10127	12.6
122.07273	2.4
123.08057	1.8
129.07007	0.5
130.07758	0.4
131.04913	5.3
131.06941	0.2
131.08549	5.9
132.05235	0.3
133.10114	100.0
134.10426	1.4
135.08029	5.4
135.11699	1.8
135.12567	0.3
136.08823	0.3
137.09599	15.7
143.08563	1.3
144.09280	0.3
145.06444	0.5
145.10092	3.2
147.11652	3.4
148.05168	0.4
149.09618	2.3
149.13239	11.9
158.10901	2.9
159.04399	1.3
160.05106	0.4
161.09645	0.5
163.07515	3.6
163.11119	0.4
163.14764	2.0
173.11732	0.6
173.13242	11.0
176.04666	1.6
176.11949	0.3
191.03371	0.7
191.06996	3.7
191.10654	1.0
191.14282	22.5
192.02437	0.2
192.14609	0.6
199.07687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.4
55.05492	1.0
62.24736	0.6
62.99667	0.7
67.05485	1.8
69.03409	3.0
69.07056	9.3
69.45703	3.1
69.46127	4.3
69.95158	0.7
70.84072	0.7
70.88854	0.6
71.04966	1.6
79.05487	4.2
81.07024	3.1
82.93252	0.8
83.04961	2.1
83.08610	1.0
91.05460	5.5
93.07034	12.0
95.04939	2.0
95.08591	4.5
97.06511	2.5
98.11227	0.7
103.05448	2.9
105.07013	5.2
107.08588	13.6
109.06482	3.9
109.10139	3.6
110.67451	0.7
117.06989	3.5
119.08575	6.1
121.06489	12.3
121.10130	9.8
123.08076	3.6
129.06960	1.2
130.07770	0.8
131.04913	3.8
131.08546	7.8
133.10133	8.7
134.18530	0.8
135.08034	9.8
135.11655	2.3
135.59425	0.8
137.09618	1.0
143.08548	1.0
145.10101	7.4
147.07985	1.3
147.11667	21.6
149.05965	3.1
149.09616	4.6
149.13261	9.4
158.10881	2.4
161.09596	3.9
162.10329	0.8
163.07498	0.9
163.11212	1.5
163.14816	2.2
173.09583	2.7
173.13274	12.6
179.60216	0.8
191.07021	2.8
191.10771	4.5
191.14288	100.0
192.14632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01881	0.3
55.05498	1.1
57.03423	0.4
57.07069	0.5
67.05489	1.0
69.03420	0.8
69.07069	2.7
69.39082	0.3
69.89964	1.9
71.04988	0.6
77.16541	0.3
77.68599	0.3
79.05493	2.2
79.05872	0.4
81.07059	2.0
83.04980	0.5
83.08601	0.7
91.05458	3.0
93.07025	4.2
95.04966	0.6
95.08598	5.1
97.05907	0.4
97.06532	4.5
97.10115	0.5
105.07026	3.8
106.10357	0.3
107.08581	8.4
109.06495	1.0
109.10139	1.4
111.08051	0.4
114.90666	0.3
115.05455	0.5
117.06998	1.0
119.07800	0.4
119.08578	4.6
121.06493	4.0
121.10120	4.9
123.08046	1.1
123.11685	0.3
125.77126	0.3
130.07800	0.5
131.04904	0.4
131.08536	5.9
133.06506	0.4
133.10106	2.6
135.08095	1.7
135.11653	3.0
143.08505	0.6
145.10123	4.2
145.11151	0.6
147.08012	2.1
147.11652	1.5
148.08803	2.4
149.09610	3.3
149.13234	1.2
158.10892	0.8
161.09610	2.5
162.10382	1.0
163.11150	1.1
163.14821	2.7
173.09637	0.5
173.13263	3.6
175.11165	0.6
176.11954	11.8
191.10771	2.3
191.14285	100.0
192.14589	1.8
197.61124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
57.03420	1.7
57.07050	1.3
59.04988	1.0
67.05490	3.1
69.03441	6.8
69.07048	4.9
70.24120	4.8
71.04974	2.7
77.70599	1.1
79.05501	5.1
81.07053	4.4
83.04962	4.7
83.08611	2.2
85.06523	2.2
91.05485	9.6
93.07045	6.3
95.04980	2.7
95.08603	5.4
97.06528	4.4
103.05441	1.5
105.07027	21.5
107.08586	20.7
109.06506	4.9
109.10139	3.9
117.07008	4.1
119.08570	10.6
121.06485	3.0
121.10144	10.8
123.08063	6.4
123.08810	1.1
129.07042	1.8
130.07820	1.1
131.08566	23.0
133.10121	100.0
135.08031	8.5
135.11655	3.6
143.08539	4.5
145.10126	14.7
147.11662	8.6
149.09587	3.5
149.13251	9.2
158.10886	7.6
161.09558	1.8
163.11195	1.5
163.14847	2.4
173.13252	40.9
176.11966	1.5
178.02203	1.0
191.14294	92.5
203.94379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
54.25810	1.1
55.01847	2.8
55.05505	6.1
55.32466	1.1
57.03419	2.2
57.07051	3.2
59.04987	1.7
65.03905	1.5
67.05497	8.3
69.03421	10.3
69.07056	10.9
71.04971	2.8
71.60629	1.9
73.87939	1.1
79.05481	9.4
81.07039	12.0
83.04954	5.0
83.08597	3.3
85.06516	6.4
91.04951	1.9
91.05469	23.2
93.07029	16.2
95.04955	7.4
95.08598	13.2
97.02882	1.2
97.06524	10.2
99.08127	1.2
102.83170	1.2
103.05443	3.7
105.07013	45.2
106.07262	1.0
107.04874	2.2
107.08584	28.2
109.06503	11.0
109.10133	7.2
111.08075	1.9
115.05405	3.1
116.06215	1.5
117.07003	10.3
119.08558	23.2
121.06451	5.5
121.10122	25.0
123.08068	7.5
123.11665	2.0
128.06160	1.2
129.06949	5.9
130.07741	2.7
131.04871	3.3
131.08549	42.1
132.05554	1.0
133.10110	100.0
134.10439	1.8
135.08032	18.1
135.11656	6.3
136.08754	2.0
137.09590	1.3
142.96135	1.1
143.08540	12.0
144.09308	4.9
145.06468	1.7
145.09048	1.6
145.10114	24.4
147.08049	1.8
147.11662	24.9
148.05217	1.4
149.09613	12.5
149.13239	13.2
158.10880	16.2
158.12102	2.0
159.08052	2.3
163.07504	2.1
163.11148	3.6
163.14792	4.2
170.24910	1.3
171.11670	1.2
173.05879	1.3
173.09656	1.8
173.13239	57.3
176.11926	3.0
191.03375	1.8
191.07005	4.6
191.10699	7.6
191.14279	93.6
192.14575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01856	1.9
55.05504	8.8
55.64366	0.8
56.96545	1.3
57.07050	3.5
59.04988	1.9
67.05496	7.5
69.03128	0.9
69.03429	9.0
69.07062	11.2
70.32061	0.9
70.32398	3.3
71.04968	1.8
74.25268	0.8
77.03929	1.3
79.05482	13.6
81.07050	19.0
83.04967	9.4
83.08610	3.7
85.06518	2.9
87.61015	0.8
91.05471	21.4
93.07033	21.2
95.04956	4.5
95.08598	20.2
97.06516	8.5
97.10182	1.4
102.04681	0.8
103.05457	21.3
103.70506	0.8
105.03397	1.9
105.07020	32.9
107.04942	15.6
107.08583	47.7
109.06509	11.6
109.10143	8.6
111.08054	3.4
115.05426	2.4
117.07011	9.5
118.04153	5.9
119.04916	1.4
119.08570	21.9
121.05630	1.5
121.06494	25.6
121.10130	46.4
123.08062	13.4
123.11653	1.4
129.06993	3.5
130.04105	1.3
130.07747	3.0
131.04913	19.8
131.08551	30.1
132.05661	1.4
133.02835	3.2
133.06435	2.5
133.10114	36.7
135.04424	1.6
135.07089	1.6
135.08040	20.8
135.11700	9.3
136.08708	1.4
137.09686	0.9
143.08510	5.4
144.09283	1.4
145.06454	2.7
145.09015	1.7
145.10115	26.7
146.03581	1.2
147.04320	0.8
147.08005	1.6
147.11682	18.5
148.05177	13.0
148.08786	1.3
149.05963	1.9
149.09605	22.5
149.13235	12.4
156.09457	0.8
158.10902	8.3
159.04382	1.4
159.07983	0.9
161.06004	0.9
161.09668	1.0
163.07523	20.6
163.11165	4.7
163.14803	12.3
173.05965	2.2
173.09618	3.0
173.13245	38.7
174.13654	0.9
176.04689	4.6
191.03391	2.9
191.07008	23.8
191.10713	8.9
191.14287	100.0
191.17940	2.7
192.14709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	1.9
55.01836	1.1
55.05505	12.1
57.07052	3.9
65.03930	1.3
67.05495	13.8
69.03420	1.3
69.07062	34.0
71.08617	1.2
79.05480	14.1
80.32262	0.8
81.06636	1.2
81.07053	14.7
81.83366	0.8
83.04967	0.9
83.08606	11.8
91.05465	9.4
92.55074	0.9
93.07033	38.8
94.07382	1.1
95.04961	2.5
95.08595	68.6
97.02883	0.9
97.06495	1.5
97.10176	6.2
103.05444	1.9
105.07027	12.0
107.04935	2.4
107.08585	49.3
108.90462	0.9
109.06484	3.2
109.10143	35.7
117.06990	3.1
119.08584	5.3
121.06481	2.6
121.10129	68.0
122.10446	1.9
123.08060	2.8
123.11703	6.3
130.07744	1.0
131.04926	1.5
131.08583	6.2
133.10092	9.1
135.08051	4.6
135.11676	49.2
136.12062	1.0
137.09695	0.9
141.06566	0.9
143.08537	1.5
145.06487	2.1
145.10101	9.4
146.05957	1.0
147.11653	3.6
149.09598	2.9
149.13242	15.7
163.07494	2.2
163.11182	2.3
163.14760	3.4
173.09599	3.2
173.13211	5.0
191.03372	1.6
191.06981	3.2
191.08978	1.6
191.10602	6.6
191.14313	24.3
191.17923	100.0
192.14638	1.0
192.18248	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05503	7.2
57.07051	2.2
65.03930	1.0
67.05500	6.3
69.03423	1.2
69.07059	21.2
70.75997	2.5
79.05474	7.9
81.07041	9.8
82.79770	0.9
83.08600	6.5
91.05450	3.8
93.07030	28.6
93.07618	1.5
95.04953	0.8
95.08592	49.5
97.10165	3.9
105.07001	4.8
107.07857	1.9
107.08576	33.2
109.06527	1.3
109.10138	20.4
109.85461	0.7
111.11710	1.4
112.63127	0.7
119.08557	2.3
121.10128	44.2
123.11684	3.5
131.08517	1.7
133.10107	2.2
135.08101	0.8
135.11676	35.9
145.10072	2.2
147.11676	1.0
149.09676	1.1
149.13240	9.3
163.14769	0.9
167.71368	0.8
173.09659	1.1
173.13091	1.2
191.10645	2.8
191.14377	3.9
191.17920	100.0
192.18307	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.15270	0.8
53.03891	1.1
55.05504	9.3
57.07053	3.1
67.05219	1.1
67.05502	11.7
69.03414	4.1
69.07060	28.6
70.82920	3.1
79.05482	11.3
81.07054	15.6
83.04965	2.0
83.08613	12.8
91.03493	1.1
91.05478	8.7
93.07033	39.1
93.07619	2.1
95.04954	3.6
95.08595	57.0
95.69450	1.1
97.06499	1.1
97.10162	6.0
98.21069	1.4
103.05449	1.0
105.07025	9.7
107.04910	1.9
107.08582	42.0
109.06495	4.4
109.10149	35.2
109.10902	1.3
117.06986	2.9
119.08573	4.5
121.06490	1.8
121.10133	63.8
122.59875	1.0
123.08056	3.6
123.11685	6.2
129.06966	1.2
130.07817	1.6
131.04909	1.4
131.08556	6.6
133.10110	11.0
135.08044	6.2
135.11678	49.1
143.08557	1.9
145.10095	7.8
147.08086	1.5
147.11688	3.8
149.02271	2.5
149.09599	2.3
149.13252	16.6
150.01620	1.0
150.02629	5.7
161.09619	1.2
163.11230	2.0
163.14758	1.7
173.09610	2.0
173.13228	6.6
176.04620	1.2
191.03323	1.6
191.07005	3.9
191.10710	6.2
191.14294	29.0
191.17926	100.0
192.10091	1.5
192.18309	2.7
196.85643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05506	13.6
57.07055	4.6
59.62758	1.4
63.59605	1.3
64.86073	1.4
67.05486	11.9
69.03408	4.0
69.07059	26.4
71.04976	1.7
71.36143	2.8
77.41212	1.9
79.05475	13.0
81.07046	17.4
83.04987	3.3
83.08606	10.7
91.05445	10.3
93.07028	34.2
95.04951	3.4
95.08593	56.7
96.08877	1.3
97.10140	5.6
98.21329	1.6
103.05477	2.7
105.07011	12.9
107.04951	2.9
107.08580	49.8
109.06498	3.8
109.10143	30.6
117.07014	3.5
119.08556	6.3
121.06476	4.3
121.10129	62.9
122.10448	2.9
123.08043	4.2
123.11644	7.2
129.06973	1.8
130.07767	1.7
131.08603	7.5
133.10097	13.8
135.08041	6.7
135.11668	50.5
137.09560	1.5
145.10109	13.2
147.11661	6.1
149.09546	3.5
149.13223	15.3
150.02690	2.9
158.10980	2.1
161.09575	1.6
163.11191	1.7
163.14795	2.8
173.09555	2.4
173.13257	9.4
191.06996	5.5
191.09055	1.7
191.10612	8.3
191.14294	37.0
191.17926	100.0
192.18324	2.9
198.69008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03921	0.9
55.05260	0.7
55.05505	9.1
55.35099	0.4
56.90481	0.4
57.07076	2.2
61.25348	0.4
67.05499	8.2
69.07061	25.1
71.08617	0.5
79.05483	8.6
81.07049	12.5
83.08607	9.1
91.05471	5.5
93.07036	32.5
94.07336	0.6
95.04946	1.4
95.08597	55.3
96.08909	0.6
97.10149	5.8
103.05487	0.9
105.07014	5.7
107.04913	0.7
107.08582	35.8
108.08900	0.6
109.06512	1.5
109.10147	26.3
111.11703	1.4
117.06991	1.7
119.08561	3.1
121.10130	53.9
122.10426	1.1
123.08088	0.9
123.11684	5.1
130.07727	0.7
131.08563	3.7
132.06572	0.4
133.10126	2.3
135.08047	1.1
135.11681	40.9
136.11977	0.7
145.10126	3.5
147.11688	3.0
149.13246	10.8
152.25377	0.5
163.14893	1.1
173.09660	1.0
173.13246	4.1
191.06989	1.3
191.10635	2.3
191.14323	7.8
191.17928	100.0
192.11481	0.7
192.18289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	3.8
55.05504	5.9
56.05032	0.4
56.62950	0.3
56.96556	1.0
57.03419	0.6
57.07072	1.6
57.48049	0.4
59.05004	2.7
61.69898	0.4
63.02359	0.4
65.03928	0.6
67.05495	10.4
69.03424	1.3
69.07067	2.9
69.07380	0.6
70.08031	2.2
71.04997	0.8
79.05489	13.4
81.03418	1.8
81.07052	6.8
83.04971	2.7
83.06126	0.5
83.08617	1.0
85.02896	0.7
85.06534	6.4
90.04676	0.4
90.98660	0.4
91.04945	0.8
91.05471	9.2
93.07040	7.8
95.04953	4.6
95.06091	0.4
95.08597	9.2
97.02897	1.0
97.06529	1.2
97.07629	0.8
98.97598	1.0
99.08086	23.1
103.05460	12.2
105.03387	1.2
105.07023	85.1
106.07365	1.9
107.04948	0.8
107.08586	7.9
108.39619	0.4
109.06485	3.0
109.07641	0.8
109.10143	18.1
111.08052	1.1
115.05445	17.0
115.06255	0.8
116.98617	1.0
117.06998	1.1
118.04147	8.8
119.04940	1.1
119.08575	11.1
121.06496	0.5
121.10130	2.6
123.04458	0.6
123.08041	3.2
123.11694	1.9
124.08665	0.5
129.06979	0.6
131.04910	3.0
131.08577	1.7
132.05698	1.4
133.02870	5.6
133.06480	75.6
133.10118	17.4
134.06926	1.9
134.99660	0.7
135.08063	1.3
135.11688	8.9
136.07483	0.5
136.08670	0.4
137.06026	2.4
137.06876	0.5
137.09605	12.3
143.04936	1.2
143.06035	4.7
146.03607	0.9
146.97510	0.7
146.99707	0.6
147.04398	1.5
147.08057	1.5
147.11682	4.8
148.07590	0.5
148.08711	0.6
149.02283	1.0
149.09595	0.7
149.13229	1.5
150.03011	0.4
150.10274	0.7
150.44769	0.4
151.03877	0.4
151.07547	0.8
151.11143	2.1
151.14819	1.2
157.10167	0.9
160.05098	0.5
161.05966	100.0
162.06297	2.4
165.05470	1.5
165.09120	0.9
165.12709	0.6
173.06456	0.5
175.03897	1.2
175.07510	1.0
175.09955	0.5
175.11137	2.0
175.14819	13.8
177.00658	0.8
178.02637	3.0
178.06207	1.7
182.07071	0.6
193.04951	17.2
193.08603	17.7
193.10510	1.3
193.12288	4.9
193.15883	21.2
194.05403	0.8
194.15469	0.7
205.90709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.12658	1.1
53.03941	4.9
54.10799	0.8
54.90828	0.8
55.01855	3.7
55.05260	0.9
55.05503	14.1
56.96553	1.2
57.03416	2.5
57.07052	1.6
59.04985	2.4
65.03933	2.2
67.05499	37.9
69.03412	1.4
69.07063	11.9
70.27190	1.8
70.27583	1.7
71.04984	8.9
73.06551	1.1
77.03902	1.7
79.05483	67.4
80.05751	0.9
81.03414	17.5
81.06570	1.8
81.07046	33.0
83.04975	12.8
83.08600	4.9
85.02869	0.9
85.06540	4.2
91.05471	88.2
93.03391	0.8
93.07033	100.0
94.07349	1.6
95.04955	32.6
95.08598	8.6
96.05308	1.1
97.02903	1.5
97.06522	4.0
99.08084	4.1
99.51556	0.9
103.05446	1.3
105.04505	1.7
105.07020	49.8
106.07323	1.0
107.04936	7.6
107.08585	8.9
109.02915	0.9
109.06504	8.2
109.10112	2.9
111.04427	3.8
111.08060	2.8
113.05989	3.1
115.05423	3.7
116.36815	1.0
117.06997	2.3
119.08562	22.6
121.06487	2.0
121.10126	3.6
123.04370	1.4
123.08031	2.0
123.11676	1.0
127.07536	3.9
128.06223	1.3
129.06987	19.0
131.08553	27.2
133.02846	4.4
133.06500	8.7
133.10117	88.7
134.10448	1.9
135.08064	1.2
135.11665	9.2
137.05981	3.4
137.09573	1.1
137.13269	1.0
142.07771	4.2
145.10097	2.6
147.04344	0.9
147.08023	8.9
147.11678	23.8
149.02402	1.0
149.09615	1.9
151.11176	1.4
157.10115	32.0
161.06004	8.9
163.11163	1.6
165.05511	0.8
165.12717	1.1
175.11174	24.5
175.14777	4.1
178.02556	3.4
193.04942	17.5
193.06725	1.3
193.08519	5.4
193.12222	48.8
193.15858	6.8
193.17566	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03933	4.1
55.01848	4.4
55.05513	9.0
56.48280	1.3
56.96542	3.1
57.03431	10.3
57.07048	4.4
57.09290	1.5
59.04992	14.0
65.03926	1.9
67.05496	12.0
69.03418	8.3
69.07065	6.2
70.06577	1.7
70.58356	3.1
71.04961	5.3
79.05480	17.6
81.03375	2.0
81.06573	2.6
81.07045	45.7
83.04976	14.2
83.08611	1.6
85.02881	5.1
85.06515	5.2
85.08133	1.2
91.05460	15.8
92.32645	1.1
93.07034	12.8
95.04945	8.5
95.08593	14.2
97.06498	3.3
97.93434	1.1
98.97564	6.1
99.08092	8.8
103.05424	3.5
105.07021	50.4
107.04916	2.6
107.06123	1.4
107.08583	21.8
109.06500	79.5
109.10134	12.8
110.07311	2.8
111.08025	3.7
115.05422	6.7
116.98603	3.5
117.07031	1.7
118.04162	3.1
119.04938	3.1
119.08564	53.6
121.06474	6.8
121.10105	5.6
122.03643	2.8
122.07223	1.7
123.04401	1.3
123.08060	11.3
123.08879	2.0
123.11683	7.2
125.09596	1.8
128.02335	1.3
131.04907	2.6
131.08536	1.8
133.02858	11.4
133.06471	30.4
133.10112	24.2
134.99570	3.0
135.08034	24.2
135.11676	7.7
137.05975	16.7
137.09607	15.9
142.07738	3.3
143.06047	2.1
145.06454	5.9
145.10120	2.0
146.07233	4.0
146.99644	1.5
147.04430	2.1
147.08018	7.1
147.11671	27.9
149.05951	1.9
149.09662	2.6
149.13304	1.6
150.03072	2.1
151.07495	2.4
151.09943	2.4
151.11160	33.8
157.10051	5.2
158.99663	2.3
160.08810	23.9
161.04585	2.0
161.05957	35.4
165.09088	1.3
165.12726	6.6
175.11160	85.6
175.14735	10.0
176.11557	2.5
177.00690	3.1
178.02553	7.0
193.04935	38.8
193.08591	9.2
193.10899	3.6
193.12221	100.0
193.15903	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	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02372	0.7
53.03944	5.2
55.01862	2.1
55.05503	6.5
56.96559	0.8
57.07050	0.9
59.05008	0.9
65.03937	1.6
67.05498	25.8
69.03415	1.1
69.07059	8.9
70.00744	3.3
71.04986	10.5
71.51774	0.6
73.06541	2.0
77.03924	1.5
79.05484	56.7
80.05807	0.9
81.03406	7.4
81.07049	21.3
83.04973	5.8
83.08600	2.9
85.02892	1.0
85.06527	3.5
87.04446	1.2
91.05471	78.7
92.05798	1.1
93.07033	100.0
94.07378	1.1
95.04956	20.4
95.08578	2.4
97.06510	1.6
98.20844	1.1
98.21416	0.9
99.04416	0.9
99.08096	1.0
103.05502	0.8
105.04505	2.8
105.07019	38.5
106.57072	0.6
107.04939	3.6
107.08559	3.6
109.06510	6.8
109.10139	1.7
111.04429	1.4
111.08055	1.4
113.06006	2.7
115.05456	2.0
117.07002	1.8
119.08570	16.6
121.06477	1.1
121.10128	2.1
123.08071	1.0
127.07539	2.1
128.06190	1.7
129.06993	16.5
130.27658	0.6
131.08549	25.3
133.02827	2.3
133.06465	4.5
133.10115	83.6
134.10477	0.7
135.11659	1.2
137.05969	1.4
142.07780	3.4
145.10110	0.8
147.08031	6.9
147.11673	18.2
149.09590	2.7
151.11133	1.0
157.10112	25.4
161.05925	5.1
165.12753	0.6
175.11162	17.9
175.14758	1.0
178.02589	2.6
193.04918	9.1
193.08572	2.6
193.10428	1.1
193.12222	22.3
193.15895	1.7
194.15381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03928	8.4
55.01855	7.9
55.05509	12.1
56.96571	12.9
57.03431	80.7
57.07043	3.1
59.04985	3.2
63.75795	1.8
65.03926	5.0
67.05498	32.0
69.03410	5.6
69.07047	7.2
70.39245	8.1
71.04976	5.4
75.04462	3.4
76.69975	1.9
79.05067	2.3
79.05487	30.6
81.03411	40.3
81.07046	24.8
83.04971	11.6
83.05375	2.0
83.08598	8.8
85.06509	12.2
91.05474	80.0
93.07034	89.7
95.04957	38.6
95.08599	16.4
97.02831	2.7
97.06525	6.2
99.08087	8.8
103.05463	6.1
105.04504	3.0
105.07020	80.2
107.04965	10.2
107.08571	16.9
109.06494	14.3
109.10148	20.9
110.97576	3.0
111.04424	8.2
111.08078	5.2
115.05447	8.8
116.00140	2.9
117.07017	12.1
118.04165	2.8
118.07810	2.6
119.04942	4.9
119.08572	100.0
120.05260	2.8
121.06493	60.7
121.10143	9.3
122.41110	2.0
123.08049	5.9
123.11696	4.4
128.98604	9.1
129.06987	10.5
131.04935	4.4
131.08545	8.2
133.02855	19.2
133.06473	30.5
133.10118	58.4
135.08025	7.9
135.11670	13.5
137.06021	10.9
137.09615	25.2
142.07730	8.5
145.06468	3.1
145.10057	6.0
146.07237	12.6
146.97467	5.0
146.99629	11.4
147.08032	38.2
147.11681	46.5
149.02296	3.1
149.05997	4.4
149.09697	4.8
149.13235	3.1
151.03882	2.5
151.11214	3.2
157.10097	13.7
160.08835	5.7
161.05978	24.7
161.36153	1.9
163.11185	2.6
165.05446	3.4
165.09105	2.6
165.12799	3.2
169.99046	3.8
170.01271	2.7
175.07478	1.9
175.11162	65.6
175.14725	13.0
178.02553	14.2
193.04950	67.0
193.06770	4.7
193.08556	17.3
193.10364	3.7
193.12230	43.4
193.14075	4.8
193.15898	21.1
193.17613	3.7
194.05244	3.8
194.15414	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	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03927	5.2
54.48184	1.2
55.01850	3.6
55.05496	8.7
56.96538	3.9
57.03428	11.4
57.07059	5.4
59.04996	14.1
66.16331	1.2
67.05498	13.1
69.03426	7.5
69.07053	7.0
70.35777	2.7
70.36170	2.6
71.04983	6.2
79.05479	18.3
81.07045	46.0
83.04974	18.9
83.08634	2.8
85.02879	4.2
85.06514	4.2
91.05469	19.1
91.27699	1.2
93.07033	13.0
95.04953	11.8
95.08596	13.9
97.06524	2.3
98.97578	6.7
99.04414	1.8
99.08084	10.1
103.05433	6.0
105.03290	1.3
105.07020	58.8
107.04931	3.4
107.08590	23.9
109.02852	1.4
109.06506	84.9
109.07675	3.2
109.10139	14.1
110.07278	2.5
111.04417	2.7
111.08076	4.1
115.05443	8.3
116.98609	5.1
117.06995	2.8
118.04139	3.3
119.04919	2.9
119.08566	56.3
121.06469	8.0
121.10123	6.6
123.04404	1.3
123.08053	15.7
123.11705	8.8
125.09599	2.4
129.06911	1.5
131.08553	2.3
133.02823	15.3
133.06480	38.0
133.10115	23.2
134.99629	3.8
135.08032	24.2
135.11650	6.0
137.05965	18.7
137.09589	18.6
137.13225	1.6
142.07756	4.9
143.06013	1.4
145.06453	6.0
145.10092	2.1
146.07214	4.6
146.43340	1.3
146.81853	1.3
146.97369	1.9
147.04352	3.0
147.06355	1.9
147.08049	10.2
147.11676	27.5
149.05971	2.9
149.09592	2.5
150.03056	1.8
150.10295	1.5
151.07536	2.9
151.11165	30.1
152.11638	1.3
157.10127	4.9
158.99658	1.9
160.08824	25.1
161.05971	39.6
165.05544	1.8
165.12735	5.5
169.99043	1.5
172.05571	1.9
175.03992	1.4
175.11165	100.0
175.14769	12.1
176.11601	2.3
177.00710	4.3
178.02547	10.1
193.04936	47.0
193.06429	2.0
193.08594	13.5
193.10667	3.6
193.12224	96.4
193.15871	14.1
194.12538	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02363	0.5
53.03936	3.6
53.61248	0.4
55.01864	3.4
55.05502	7.9
56.96544	0.5
57.03426	2.9
57.07062	0.5
59.04973	0.5
65.03939	2.8
67.05495	25.2
69.03420	2.3
69.07067	3.7
70.00668	2.5
71.04970	2.4
79.05482	19.1
81.03407	100.0
81.07045	14.7
82.03750	0.8
83.04967	4.8
83.08607	12.8
85.02903	0.5
85.06544	1.0
91.04882	0.6
91.05467	22.7
93.07027	11.9
95.04957	43.5
95.08598	5.6
95.22556	0.5
97.02876	2.2
97.06511	2.2
97.10153	1.4
99.08064	2.7
101.63416	0.4
103.05460	2.3
105.07015	26.6
107.04945	9.8
107.05679	0.4
107.08585	5.1
109.06509	5.0
109.10149	3.5
111.04420	1.9
111.08067	3.6
113.05984	0.4
115.05438	3.9
116.06227	0.5
117.07001	1.4
118.04152	1.1
119.04911	1.0
119.08569	13.9
121.06529	2.2
121.10151	4.6
123.08069	2.4
123.11683	1.3
125.09600	0.5
128.06204	1.1
129.06985	8.7
131.04942	0.5
131.08553	9.0
132.05681	0.8
133.02824	1.8
133.06474	13.8
133.10112	11.7
135.08047	0.7
135.11688	2.0
137.05969	0.9
137.09605	2.4
142.07768	3.0
143.05959	0.4
145.10117	1.1
147.08064	4.2
147.11679	10.0
148.08673	0.5
149.05977	0.5
149.09612	4.9
149.13242	1.1
154.61331	0.5
157.10101	7.0
160.42001	0.5
161.05957	10.2
165.05568	0.6
165.12773	1.9
175.11165	9.3
175.14799	4.8
178.02586	1.3
178.06174	0.6
193.04941	6.3
193.08589	9.5
193.10542	0.5
193.12221	15.1
193.15871	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02362	1.0
52.55422	0.9
53.03934	5.6
55.01867	6.9
55.05512	12.3
55.92070	1.3
56.96545	1.7
57.03418	3.8
57.07064	1.8
65.03923	3.6
67.05495	43.4
69.03406	3.7
69.07052	8.9
69.40592	4.6
69.41026	5.4
71.04986	7.1
79.05482	45.9
81.03409	100.0
81.07049	31.6
83.04987	8.4
83.08602	13.6
85.02891	1.4
85.06521	2.6
91.05470	69.4
92.05773	1.7
93.07034	47.1
95.04956	52.1
95.08590	8.4
95.09116	1.4
97.02850	2.3
97.06519	7.1
98.20966	4.1
99.08060	2.6
103.05463	10.0
104.06223	2.7
105.04504	1.6
105.07019	89.1
106.07343	1.4
107.04945	12.3
107.08591	11.6
109.06500	9.9
109.10130	7.2
111.04433	1.8
111.08073	4.7
113.06004	1.9
114.07803	1.1
115.05437	11.8
117.06976	3.0
118.04121	5.4
119.08562	32.5
121.06469	3.6
121.10125	7.1
122.03693	1.0
123.08051	3.7
123.11686	2.6
128.06212	1.6
128.98479	1.0
129.06987	19.0
131.04912	1.8
131.08556	24.2
132.05659	2.6
133.02859	5.7
133.05447	1.6
133.06485	54.0
133.10115	86.0
134.06883	1.7
135.08012	2.4
135.11685	9.9
137.05965	4.3
137.09593	3.2
142.07733	5.0
143.06020	2.8
145.05051	1.4
145.10092	2.1
147.04352	1.1
147.08064	7.7
147.11670	34.3
149.09593	24.4
149.13277	2.1
151.11118	1.7
154.05562	4.2
157.10100	26.5
160.05205	1.9
161.05963	44.8
162.06256	1.5
165.05493	1.7
165.12779	1.9
175.11165	42.4
175.14735	8.8
178.02603	2.9
178.06252	2.2
193.04984	18.4
193.08578	72.9
193.12225	49.7
193.15854	9.0
194.08963	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.04802	1.1
53.03936	1.3
53.12778	1.0
55.01864	1.3
55.05510	12.8
56.96551	1.4
57.07063	3.7
59.04989	2.9
67.05504	19.9
69.03428	2.8
69.07066	9.1
70.97208	1.8
70.97545	2.2
71.04962	2.1
72.08125	1.1
79.05485	13.4
81.03404	2.1
81.07046	19.7
83.04971	3.9
83.08613	4.1
84.25242	1.0
85.06533	16.4
91.05470	11.9
93.07035	23.7
95.04928	5.8
95.08600	22.0
97.06535	1.7
99.08085	100.0
103.05485	2.8
105.07019	29.6
107.04940	1.9
107.08580	26.0
109.06528	5.5
109.10146	50.2
111.08082	3.3
115.05455	2.2
117.06970	1.9
119.08569	25.2
121.10124	10.6
123.08076	11.6
123.11697	7.8
126.61082	1.1
129.07018	1.6
131.08575	2.6
133.02863	5.0
133.06503	11.0
133.10120	37.0
134.10442	2.2
135.08008	2.8
135.10732	2.0
135.11687	36.3
137.05983	2.8
137.09595	25.7
138.10402	3.2
146.97467	1.3
147.04530	1.4
147.08044	2.2
147.11659	6.1
149.05896	1.4
149.13243	4.7
151.07600	1.2
151.11195	7.3
151.14781	1.4
161.05968	14.0
165.12756	1.3
165.16396	3.0
175.11171	2.9
175.14815	29.6
178.02585	3.0
193.04944	20.7
193.08569	8.0
193.12277	5.2
193.15903	68.7
194.15431	1.9
202.73145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.78049	0.7
52.76699	0.7
53.03937	1.1
55.01862	1.4
55.05508	6.6
56.96545	1.6
57.03422	1.0
57.07087	4.1
57.28202	0.6
59.04977	2.9
63.46998	0.7
67.05159	1.0
67.05492	13.5
69.03419	1.4
69.07064	8.6
69.68860	5.3
70.06586	1.1
71.04990	1.1
72.08138	0.7
79.05482	6.7
81.03400	2.1
81.07041	9.0
83.04976	2.0
83.06045	0.8
83.08600	3.1
85.06555	4.3
91.05478	9.0
93.07036	9.6
95.04968	3.6
95.08596	23.8
97.06532	0.8
98.21519	1.3
99.08076	8.4
103.05452	3.8
105.03354	1.7
105.07018	32.7
106.07338	1.2
107.08582	10.1
109.06519	3.4
109.10143	26.7
111.08025	1.0
115.05421	3.8
116.98622	1.1
117.06989	1.8
118.04140	1.9
119.04925	0.8
119.08567	56.8
121.10102	4.1
121.83413	0.7
123.04383	0.9
123.08044	3.3
123.11690	2.8
131.08539	3.5
133.02815	4.4
133.06482	16.3
133.10117	62.6
134.10403	1.7
135.10658	1.4
135.11668	19.2
137.05949	3.2
137.09593	11.5
143.06033	1.2
145.10098	5.5
146.10910	0.8
147.04437	1.2
147.11665	18.7
149.02312	1.3
149.13255	5.9
151.03845	0.8
151.09888	0.7
151.11153	1.7
151.14859	4.5
157.10161	0.8
160.12502	3.6
161.05969	16.0
173.13261	1.2
175.14810	100.0
176.15158	3.0
177.00540	1.0
178.02629	2.1
178.06294	0.9
188.51886	0.9
193.04988	14.3
193.06801	1.2
193.08618	6.5
193.10173	0.9
193.12225	4.6
193.15880	23.5
194.08127	0.8
194.15436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	1.5
55.05511	10.4
57.03411	1.2
57.07060	2.1
58.34193	0.9
59.04995	2.2
67.05499	9.7
69.06714	1.5
69.07064	28.6
71.04643	1.0
71.04993	17.4
71.08575	2.1
71.08909	2.0
77.98609	0.8
79.05489	7.5
81.03382	1.2
81.06570	1.1
81.07047	21.4
83.04965	2.0
83.08593	2.7
85.06539	11.2
87.84739	0.9
91.05470	8.7
92.58463	1.1
93.07041	26.9
95.04961	29.1
95.08035	1.6
95.08601	20.9
97.06504	3.2
97.10175	9.5
99.08088	6.4
103.05452	1.3
105.07022	19.1
107.07861	1.5
107.08589	29.7
109.06512	100.0
109.10145	15.2
110.06847	1.4
111.04546	0.9
111.08078	6.4
111.11683	3.7
115.05452	1.4
119.07776	1.6
119.08577	25.4
121.10138	8.5
123.08052	6.2
123.11700	21.2
125.09701	1.1
131.08540	2.6
133.02832	3.0
133.06491	8.3
133.10124	26.6
135.11685	29.0
137.09587	13.8
147.11707	5.8
149.02316	1.2
149.09621	1.1
149.13248	11.1
150.58316	1.2
151.11182	4.3
151.14842	1.7
157.10086	1.1
161.05989	9.7
163.66661	0.9
166.24168	0.9
175.11249	2.1
175.14813	40.4
178.02608	2.3
193.04924	12.9
193.12202	5.9
193.15868	71.7
194.15500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	1.9
55.05502	9.6
56.96553	0.6
57.03425	0.9
57.07062	3.0
59.05000	3.0
65.03921	0.9
65.09946	0.4
67.01858	1.9
67.05495	19.9
68.54374	0.4
68.99778	1.1
69.03415	0.9
69.07053	5.8
70.06575	0.5
71.04974	2.0
71.31553	1.1
77.03875	0.4
79.05479	8.9
81.03410	4.7
81.06564	0.7
81.07047	12.1
83.04973	3.7
83.08605	2.8
85.02898	1.1
85.06531	16.9
85.10138	0.5
91.05463	9.1
93.07029	16.5
95.04948	5.9
95.08591	16.4
97.06493	1.4
97.10128	0.7
98.63738	0.4
98.97588	0.6
99.08077	88.8
100.08416	1.3
103.05476	2.3
105.03367	0.7
105.07014	26.4
106.07312	0.8
107.04922	1.2
107.08582	20.1
108.08908	0.5
109.06510	5.2
109.07653	0.8
109.10138	38.6
110.10476	0.8
111.08059	1.7
115.05444	3.7
117.07000	1.2
117.20474	0.4
118.04150	1.9
119.04938	0.9
119.06039	0.4
119.08564	12.8
121.06519	1.0
121.10125	6.4
123.04447	1.0
123.08062	6.2
123.11680	4.9
125.05979	1.0
125.09633	1.1
127.03893	1.2
129.06960	0.7
131.04866	0.6
131.08534	1.5
132.05658	0.6
133.02878	2.9
133.06473	16.5
133.10110	24.2
134.06940	0.7
134.10469	0.8
135.08035	1.6
135.11673	27.3
137.05969	2.7
137.09593	18.7
138.10297	1.0
143.06058	1.2
146.97401	0.9
147.04356	3.3
147.08025	1.5
147.11676	5.2
149.05956	0.7
149.09607	0.6
149.13240	1.4
150.03018	0.4
150.10204	0.8
151.03891	1.2
151.07503	1.0
151.09900	0.6
151.11157	6.4
151.14828	1.1
152.65556	0.4
153.01797	1.6
157.10081	0.9
161.05957	19.0
162.06305	0.7
165.05501	0.8
165.09038	0.6
165.12637	0.7
165.16408	2.5
169.04932	1.2
175.03825	0.7
175.07491	2.3
175.11165	1.8
175.14819	11.8
178.02594	2.0
193.04936	100.0
193.08575	9.4
193.12250	4.9
193.15855	54.1
194.05261	5.3
194.15363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	0.7
55.05504	10.1
57.03430	0.9
57.07071	3.6
59.04985	2.9
65.03944	0.7
65.91780	0.7
67.05498	18.8
69.03437	0.8
69.07060	5.3
69.66521	4.8
71.04990	0.9
71.43494	0.7
78.02413	0.6
79.05486	8.7
81.07043	10.8
83.04967	3.9
83.08609	1.8
85.06536	19.7
85.10170	1.2
91.05461	3.8
93.07040	15.7
95.04954	2.6
95.08595	14.6
95.39113	0.7
98.20850	1.3
99.08083	100.0
100.08401	1.0
105.07026	6.0
107.08581	19.6
109.06502	4.3
109.10144	40.7
110.10474	0.7
111.08096	0.9
119.08575	7.8
121.10126	3.7
123.08076	3.9
123.11681	5.1
125.09635	0.8
125.13280	1.0
133.06454	0.6
133.10117	12.3
135.11679	23.0
137.09610	15.3
138.10353	1.7
151.11165	5.2
151.14772	0.9
161.05945	1.2
165.16386	2.9
167.04776	0.8
168.09839	0.6
175.14804	7.4
193.05064	0.8
193.15863	50.3
194.16232	0.9
197.70988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.80767	0.6
53.03919	0.7
55.01846	1.0
55.05503	3.3
57.03426	0.7
57.07062	1.6
59.04980	2.2
67.05173	0.6
67.05503	12.3
69.03424	1.1
69.07051	3.6
69.48344	3.8
69.48749	1.4
71.04982	1.2
74.67796	0.6
77.03924	0.9
78.12174	0.5
79.05480	6.1
81.03408	13.9
81.07043	7.5
82.16624	0.6
83.04961	1.6
83.08621	2.9
85.06535	7.2
86.97581	0.5
91.05467	6.4
93.07039	8.3
94.04201	0.6
95.04961	6.6
95.08607	5.6
97.02888	0.8
97.10133	0.7
97.61150	0.6
98.21346	2.1
99.08080	42.6
103.05435	1.8
105.03394	0.8
105.07014	14.9
107.04926	1.4
107.08575	8.4
109.06471	2.7
109.10138	17.1
111.08054	1.5
115.05439	1.4
117.03317	0.8
118.04134	0.7
119.08573	6.5
121.06430	0.8
121.10134	2.7
122.03631	4.8
123.08024	2.6
123.11687	2.6
125.13213	0.7
129.07002	1.4
131.08545	1.4
133.02837	35.9
133.05576	0.8
133.06482	8.2
133.09213	1.1
133.10124	11.9
134.03183	1.3
135.08025	0.8
135.11667	8.9
137.05988	8.9
137.09599	6.4
147.04364	1.7
147.08044	1.1
147.11649	2.3
149.05971	1.8
149.13354	0.6
150.03058	2.9
151.11137	2.2
157.10034	0.8
161.05949	7.9
165.05450	3.9
165.09094	0.8
165.12778	0.6
175.07590	1.2
175.11154	2.1
175.14848	5.0
178.02589	19.4
179.02911	1.1
193.04942	100.0
193.08572	5.7
193.12207	3.7
193.15883	22.7
194.05280	3.9
194.15388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.33034	0.5
51.97850	0.5
53.03941	0.7
55.01864	1.3
55.05508	9.9
57.03430	1.1
57.07066	2.9
59.04991	3.3
65.03926	0.7
65.34226	0.5
67.05496	20.6
69.03416	1.3
69.07059	6.5
70.32064	1.5
70.32471	1.0
71.04980	1.8
79.05482	10.7
81.03410	11.1
81.07044	12.1
83.04960	2.6
83.08621	3.0
85.06529	16.6
91.05466	6.9
93.06452	1.1
93.07034	17.7
93.79133	0.5
95.04952	7.9
95.08599	15.2
97.06519	1.3
97.10159	1.0
98.21411	0.7
99.08080	100.0
100.08420	1.6
103.05460	2.1
105.07016	24.2
105.43081	0.5
107.04890	0.6
107.08582	17.8
108.08932	0.6
109.06504	6.4
109.10144	41.7
110.10455	1.0
111.08082	1.7
115.05419	3.4
117.07033	0.9
118.04142	1.6
119.08563	12.4
121.06474	0.6
121.10155	4.9
123.08062	5.2
123.11708	4.4
125.09634	1.0
125.13229	0.8
129.06999	1.6
130.73245	0.7
131.04977	0.8
131.08560	1.5
133.02826	2.8
133.06477	15.8
133.10121	16.5
135.08060	0.8
135.11681	19.7
137.05968	2.2
137.09593	13.8
137.13223	0.9
138.10355	0.9
147.08005	1.0
147.11667	4.9
149.02348	0.8
149.09573	1.1
149.13252	1.4
151.11148	6.5
151.14856	0.6
157.10110	0.9
160.05173	0.7
161.04597	1.2
161.05963	16.9
162.06378	0.7
165.05415	0.9
165.09155	0.8
165.16376	2.1
175.04024	0.6
175.07437	0.6
175.11182	1.8
175.14819	9.7
178.02573	2.4
182.39099	0.6
183.52318	0.6
193.04918	11.3
193.08595	13.7
193.10072	0.7
193.12193	4.4
193.15862	57.7
194.05272	0.6
194.16327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
51.02385	0.3
51.48623	0.3
52.11332	0.3
55.01862	0.4
55.05513	1.0
56.96558	0.8
57.03446	0.3
63.02383	0.5
65.03938	0.6
67.05498	1.0
68.05027	0.4
68.96334	0.9
68.99777	0.4
69.03428	0.5
69.07066	0.9
71.04987	0.5
71.30237	0.8
72.08151	0.4
78.04713	0.8
79.05481	1.8
81.03423	0.5
81.04545	0.3
81.07043	1.8
81.35234	0.3
83.04956	0.6
83.06116	0.4
83.08599	0.3
85.02924	0.4
85.06570	0.3
88.95247	0.3
89.03905	17.2
89.06013	1.6
91.05457	2.6
93.03336	0.4
93.07031	1.9
95.04936	1.4
95.08607	1.5
97.02865	0.7
97.06519	0.5
97.07670	0.4
103.05460	1.2
105.07050	0.6
106.04161	1.5
107.04964	2.0
107.08577	1.9
108.05621	0.5
109.06476	0.5
109.07635	0.4
109.10174	0.5
109.98923	0.9
111.04417	1.5
111.05576	0.4
111.08025	0.4
111.09232	0.3
115.05460	0.3
117.03368	39.0
118.03743	0.5
119.04926	0.7
119.08579	0.5
121.06529	1.5
121.10145	2.3
124.05181	0.5
125.02361	0.3
125.05978	1.1
125.09542	0.3
127.99955	0.6
130.96294	0.6
131.04916	0.5
131.08501	0.3
134.03621	6.2
135.04404	7.9
135.08047	0.8
135.11681	0.9
136.08714	0.3
137.09636	0.4
138.06606	1.8
139.03873	0.5
139.07558	0.3
145.02829	72.7
146.03145	0.9
147.04384	0.6
148.97354	2.2
149.02396	0.3
149.05963	16.8
149.09554	0.9
149.13225	0.4
149.97186	0.6
150.06538	0.5
151.07587	0.4
152.06145	0.4
153.05429	2.3
153.07048	0.3
153.97868	0.6
155.08467	0.7
158.06015	0.3
159.11630	0.5
160.08035	0.5
162.03072	2.0
163.03883	10.0
163.07545	0.4
165.06981	6.8
166.07677	0.4
166.98621	0.3
167.07185	0.4
167.08528	1.4
171.98936	2.0
177.05450	100.0
177.16287	2.3
178.05782	1.1
178.09711	0.3
179.08583	1.4
180.09319	6.6
186.05499	2.6
195.02861	1.3
195.06410	1.9
195.08922	3.2
195.10445	0.6
195.11647	11.9
195.13669	0.6
195.17424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
52.61774	0.3
53.03939	0.5
55.01879	0.9
55.05507	1.1
56.96555	1.0
57.03414	0.5
59.05001	0.5
63.02379	0.6
65.03937	0.7
67.05499	1.7
68.96329	0.5
69.03428	0.8
69.07066	1.8
69.62727	2.1
69.63148	0.7
70.94236	0.6
71.04977	0.4
78.04713	0.6
79.05484	2.8
81.03401	0.7
81.07042	1.6
83.04974	0.8
83.06091	0.4
83.08635	0.5
85.02893	0.7
85.06533	0.5
89.03905	16.5
89.06019	1.7
91.05474	3.8
93.07040	3.2
95.04946	1.5
95.08591	2.4
97.06512	0.8
98.97575	0.9
103.05460	1.9
105.06986	2.1
106.04164	1.8
107.04941	9.2
107.08582	3.6
109.06501	1.5
109.10140	0.5
109.98951	0.5
110.07168	0.8
110.71235	0.3
111.04428	1.2
111.05533	0.6
111.08038	0.9
115.05455	0.6
116.98645	0.5
117.03364	35.3
117.06976	0.9
118.03688	0.5
119.01832	0.3
119.04916	1.0
119.08546	1.0
121.02842	0.5
121.06473	1.7
121.10121	1.7
122.06023	0.4
123.08006	0.7
124.05191	0.7
125.05964	0.6
127.99947	0.6
128.02299	0.6
130.96298	0.5
131.04874	0.5
133.08554	0.4
133.10114	1.1
134.03618	5.7
134.99666	0.5
135.04414	8.1
135.08031	3.1
135.11674	2.1
136.05013	0.4
137.02795	0.6
137.05920	0.4
137.07114	0.4
137.09648	0.9
138.06601	2.0
139.03926	0.5
139.07533	0.7
145.02827	75.4
146.03151	1.7
147.04369	0.6
148.97353	2.2
149.05963	18.2
149.09526	1.6
149.13268	1.2
149.97182	0.8
150.06424	0.5
151.07503	1.0
152.06218	0.4
153.05431	1.6
153.34668	0.3
153.97845	1.0
154.06192	0.5
155.08551	0.5
159.11693	0.8
162.03075	1.7
163.02534	0.5
163.03888	9.5
163.07503	3.0
164.04222	0.4
165.06984	8.1
166.07677	1.0
167.07018	2.8
167.08556	2.5
171.98955	1.8
177.05450	100.0
177.12737	1.4
177.16319	1.9
178.05774	2.4
178.07376	0.5
179.08459	1.9
180.07921	0.6
180.09315	9.6
186.05504	2.4
195.02873	4.3
195.06520	2.2
195.08652	3.2
195.10139	2.7
195.11673	16.4
195.13724	1.6
195.15540	0.7
196.07436	0.4
196.89069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.5
55.01873	0.6
55.05510	0.7
56.96563	0.4
57.03435	0.5
57.07061	0.4
63.02370	0.5
65.03947	0.8
66.87370	0.4
67.05519	1.1
68.96336	0.6
69.07076	1.3
71.04980	0.6
71.60593	0.5
78.04726	0.5
79.05480	2.4
81.03422	0.7
81.07053	2.0
82.06569	0.4
83.04965	0.5
83.08632	0.4
84.08146	0.5
85.02916	0.4
85.06535	0.4
89.03908	18.2
89.06032	1.9
90.04279	0.4
91.05483	3.1
93.03407	0.8
93.07035	3.0
95.04959	1.7
95.08595	1.9
96.05669	0.4
97.02895	0.5
97.06521	0.5
97.07674	0.4
103.05458	1.6
105.03378	0.6
105.07027	1.1
106.04175	1.1
107.04949	2.5
107.08591	2.6
109.02901	0.5
109.06544	0.6
109.10175	0.6
109.98934	0.7
110.07149	0.4
111.04413	2.0
111.05573	0.5
111.08096	0.5
117.03368	37.0
118.03719	0.9
119.04957	0.6
119.08591	0.9
121.02853	0.4
121.06514	2.0
121.10130	2.5
121.78793	0.4
123.08020	0.6
124.05176	0.5
125.05975	1.7
125.09634	0.4
127.99951	1.2
130.96306	1.0
131.08589	0.5
133.06479	0.9
133.08640	0.4
133.10115	0.5
134.03633	6.7
134.99593	0.3
135.04405	8.8
135.08067	1.6
135.11650	1.5
136.08716	0.4
137.09679	0.7
138.06581	2.7
145.02832	70.1
146.03206	1.1
147.04350	0.4
148.97346	3.9
149.02379	0.5
149.05974	18.7
149.09605	1.3
149.13234	0.5
149.97171	0.7
150.06294	0.4
151.03903	0.8
151.07559	0.7
152.06180	0.6
153.01830	0.7
153.05453	2.3
153.06819	0.7
153.97885	1.1
154.78055	0.4
156.78291	0.4
159.11664	0.5
162.03119	1.5
163.03888	10.9
163.07486	0.4
165.05623	0.4
165.06987	10.1
166.07780	0.4
166.35832	0.4
167.08553	1.6
167.10622	0.4
171.98943	2.9
172.98888	0.4
177.05452	100.0
177.16418	2.5
178.05846	2.5
178.07285	0.6
179.08527	2.1
180.09322	11.1
186.05571	2.1
195.02905	2.5
195.05002	0.4
195.06473	2.1
195.08647	4.7
195.10449	1.0
195.11665	19.5
195.13643	0.8
195.15584	0.7
196.11971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.87581	0.4
53.03955	0.3
53.32050	0.3
55.01860	0.7
55.05503	1.6
56.96564	1.2
57.03419	1.1
57.07075	0.4
59.06086	0.5
60.04514	0.4
63.45773	0.3
65.03933	0.8
67.05489	1.6
68.05022	0.5
68.96318	1.0
69.03426	0.7
69.07056	2.0
70.06584	0.5
71.04995	0.8
73.82317	0.3
78.04726	0.5
79.05480	4.5
81.03415	0.8
81.07049	3.1
83.04962	1.1
83.06068	0.5
83.08604	0.4
85.02898	0.9
85.06507	0.4
89.03906	16.2
89.06021	1.9
91.05466	4.6
93.07031	4.4
95.04951	2.1
95.08598	2.8
97.06494	0.7
98.21483	1.0
98.97573	1.2
99.04409	0.5
99.05602	0.5
103.05447	1.7
105.03402	0.6
105.07010	2.4
106.04142	1.1
107.04939	9.0
107.08573	4.5
109.06495	1.4
109.07632	0.5
109.10141	0.7
109.98907	0.8
110.07156	0.5
111.04440	1.8
111.05576	0.6
111.08075	1.2
115.05450	0.5
116.98612	1.1
117.03362	33.9
117.07027	0.9
118.03564	0.4
119.04903	0.9
119.08587	1.0
121.02823	1.1
121.06515	2.0
121.10127	2.9
123.04258	0.4
123.08038	1.0
124.05165	1.0
125.05968	1.4
126.06677	0.4
127.99974	0.8
128.02309	0.9
130.96266	1.1
131.08574	1.1
133.02803	0.7
133.10115	1.4
134.03615	5.3
134.99658	0.8
135.04408	7.6
135.08028	4.0
135.11667	2.2
136.05023	1.2
137.02835	0.5
137.05952	0.8
137.09584	1.4
137.10599	0.4
138.06570	2.2
139.03862	0.7
139.07535	1.2
145.02826	70.0
146.03116	0.4
147.04437	0.6
148.97340	3.3
149.02315	0.4
149.05957	16.8
149.09552	2.3
149.13219	1.4
149.97166	0.9
151.07536	1.5
152.06195	0.4
153.05429	1.9
153.06909	1.0
153.08980	0.5
153.97844	1.0
154.06171	0.7
158.06041	0.6
158.99652	0.5
159.11690	1.1
162.03078	1.2
163.03886	10.3
163.07501	3.4
165.05580	0.7
165.06973	8.7
166.07755	0.5
167.07040	2.7
167.08545	2.3
171.98914	2.9
172.98874	0.4
177.05447	100.0
177.12703	1.5
177.16376	1.5
178.05888	0.6
178.09787	0.5
179.08521	1.4
180.07808	0.8
180.09305	7.1
186.05519	2.8
188.27625	0.4
195.02875	8.6
195.06470	2.2
195.08681	5.1
195.10144	3.4
195.11684	14.7
195.13733	1.6
195.15688	1.0
195.17477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.67849	1.1
53.03937	3.6
55.01852	4.3
55.05501	17.0
56.96550	4.3
57.03422	5.3
57.07046	3.6
58.89386	1.1
65.03920	2.3
67.05493	63.7
68.96291	2.1
69.03412	2.5
69.07055	16.7
71.04983	6.6
71.08614	1.6
71.61448	2.5
71.95229	1.3
72.93784	2.8
79.05482	45.8
79.05949	2.2
80.05823	1.1
81.03403	10.9
81.07045	100.0
82.07365	1.2
83.04977	22.4
83.08598	11.2
85.02877	1.4
85.06535	4.8
89.03899	1.3
89.06023	9.6
91.05467	26.3
93.07030	62.7
95.04944	10.9
95.08591	44.8
96.08926	1.3
97.06522	14.0
97.10128	1.3
99.04399	1.5
99.08029	2.5
105.07004	13.3
107.04935	7.8
107.08579	30.6
109.06506	4.8
109.10111	7.3
109.98865	1.6
110.07150	3.1
111.03001	1.3
111.04426	1.2
111.08039	6.5
113.09608	2.0
113.96386	1.8
117.06985	12.0
119.08590	4.5
121.06541	7.2
121.10127	16.7
123.08052	3.5
123.11691	2.0
125.05992	1.9
125.09613	1.8
127.99954	1.5
129.06979	2.0
130.96208	2.1
131.08542	13.8
131.96205	2.6
131.97385	2.4
133.02831	2.5
133.06462	2.7
133.08554	1.8
133.10101	11.1
133.13309	1.3
135.04410	5.8
135.08063	7.4
135.11665	30.3
137.05890	1.7
137.09612	1.9
137.13268	1.4
138.06570	8.8
141.06888	1.3
141.52132	1.2
145.02782	2.1
148.97328	8.1
149.01230	1.5
149.05931	2.6
149.09615	5.0
149.13237	22.0
149.97168	7.8
152.06247	1.6
153.05396	1.5
153.06958	5.4
153.09013	1.5
153.97868	2.9
155.08513	3.5
159.11674	17.4
163.03882	53.9
165.06975	49.4
166.07680	4.0
167.02414	1.4
167.08511	11.5
167.98297	1.8
171.98943	5.7
172.98761	4.3
177.05447	4.9
177.09094	3.4
177.12729	16.3
177.16347	10.0
178.07782	2.1
179.08534	10.2
180.09312	47.0
181.09689	1.6
193.10086	1.3
195.00589	1.9
195.02960	2.3
195.08658	13.4
195.11679	88.2
195.13756	27.9
195.15611	3.4
195.17482	2.3
196.00391	2.1
196.12024	4.2
196.13925	1.3
196.16962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.22529	1.4
52.37291	1.3
53.03929	4.1
55.01849	5.6
55.05303	1.4
55.05506	19.0
56.96541	6.5
57.03433	7.5
57.07060	6.0
63.45348	1.8
65.03927	1.8
67.05497	20.9
68.96309	2.5
69.03400	4.1
69.07062	31.2
71.04992	11.6
71.41497	3.5
72.93787	1.4
75.13249	1.8
77.67096	1.5
79.05056	2.8
79.05483	38.5
81.03400	3.5
81.07048	43.7
83.04945	4.8
83.08609	10.3
85.02925	1.3
85.06530	4.4
89.06007	12.4
91.05465	26.1
93.06464	3.6
93.07034	61.1
95.04962	12.2
95.08593	21.7
97.06509	6.3
99.08075	2.3
103.05447	2.5
105.07017	15.8
107.04946	13.9
107.08576	37.4
109.06521	9.6
109.10121	5.8
109.98920	2.0
110.07139	2.3
111.04426	5.7
111.08085	2.4
113.96338	2.2
115.05441	2.5
117.03339	2.9
117.07001	13.5
119.08572	10.2
121.06509	9.8
121.10131	17.6
123.08073	12.5
124.98135	1.6
125.06012	1.7
125.09607	1.7
129.06946	2.9
130.07768	1.7
131.08548	16.6
131.96147	2.1
131.97401	3.3
133.02885	8.1
133.06453	2.5
133.08586	1.9
133.10103	9.5
135.04416	11.8
135.08043	8.5
135.11697	14.9
136.49786	1.6
137.09622	2.6
137.13188	2.7
138.06606	8.0
143.05403	5.6
144.09331	3.2
145.02805	4.8
148.97318	6.3
149.02370	1.8
149.05942	2.6
149.09563	3.6
149.13213	9.5
149.97183	8.4
152.05991	7.9
153.06966	3.6
153.97884	4.2
154.97757	2.3
155.08548	3.3
159.11659	15.5
161.06459	7.6
163.03891	100.0
163.56677	3.1
164.04269	3.7
165.06981	50.0
166.07623	2.8
167.07182	2.6
167.08543	11.9
167.96814	1.5
167.98131	1.7
171.98907	7.0
172.57230	2.7
172.98790	6.0
177.05426	8.0
177.09160	3.2
177.12727	15.5
177.16351	11.9
179.08521	9.9
180.09320	47.7
193.10091	1.9
195.02901	2.3
195.06551	2.9
195.08673	18.4
195.11670	87.2
195.13715	8.8
195.15529	3.4
195.17441	2.7
196.11967	2.7
196.16949	3.3
196.42816	1.4
203.05794	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03930	2.3
55.01858	3.0
55.05503	13.9
57.03435	5.5
57.07079	2.4
57.20698	0.9
57.52996	0.7
65.03928	1.7
67.05495	58.7
69.03400	0.9
69.07058	18.2
71.01337	2.6
71.04984	6.3
71.08620	0.8
71.34561	1.2
71.34878	1.0
73.02882	1.7
79.05483	38.2
81.03414	6.2
81.07047	100.0
82.07386	1.1
83.04968	12.0
83.08607	11.5
85.06519	4.8
89.06022	1.2
91.05470	22.0
93.07031	61.5
95.04963	8.3
95.08596	33.3
95.09222	0.9
97.06512	12.3
97.10145	2.0
99.04475	1.0
99.08083	2.8
105.07010	10.2
105.56983	0.7
107.04962	1.9
107.08583	24.9
109.06505	3.9
109.10158	4.0
111.04426	0.8
111.08070	7.3
113.05994	1.2
113.09613	1.6
117.07005	7.6
117.86052	0.9
119.08535	2.1
119.32684	0.7
121.06485	3.3
121.10130	12.5
123.11684	1.1
125.09602	1.4
131.08563	12.7
133.10114	13.3
135.04370	1.5
135.08086	3.9
135.11670	28.8
138.06621	1.4
139.07518	0.8
145.02823	0.9
147.11676	1.0
149.09612	1.5
149.13235	21.2
151.09769	0.8
151.11110	1.9
153.09038	0.9
159.11673	17.2
163.03905	9.7
165.06998	7.4
167.08604	1.4
168.39661	0.8
170.00224	0.9
177.05411	2.1
177.12740	16.0
177.16286	1.5
179.08560	1.2
180.09319	7.3
195.08725	3.0
195.11687	12.7
195.13791	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	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	2.7
55.01859	3.7
55.05507	15.0
56.96556	4.9
57.03428	6.9
57.07052	2.3
61.64933	0.9
65.03941	2.0
67.05497	60.2
68.05796	1.4
69.03413	1.8
69.07063	17.4
69.52618	3.5
69.53043	5.0
71.01333	2.6
71.04985	6.3
79.05481	38.3
81.03413	7.4
81.07047	100.0
82.07378	1.8
83.04966	11.6
83.08607	10.6
83.43551	0.8
85.02866	1.1
85.06537	4.1
87.04446	1.0
89.06013	3.0
91.05469	25.1
93.07036	58.9
95.04966	8.2
95.08598	32.9
95.09216	1.0
97.06532	14.9
97.10152	2.2
99.04448	1.0
99.08078	3.5
104.14336	0.9
105.07026	9.5
107.04935	1.7
107.08590	26.0
109.06495	3.8
109.10153	3.8
111.04447	1.4
111.08068	6.8
113.09639	1.9
117.07011	10.7
119.08549	3.2
121.06500	4.5
121.10123	11.3
123.08015	2.1
125.09584	1.7
129.07033	1.2
130.96313	1.9
131.08551	11.2
131.96130	1.3
131.97443	1.9
133.10109	15.3
134.04890	1.3
135.04410	1.3
135.08047	2.9
135.11670	29.8
137.09512	1.1
138.06631	2.8
145.02814	1.5
147.11647	1.4
148.97342	3.1
149.09576	2.9
149.13243	21.4
149.97173	3.1
151.11194	2.3
153.06960	2.6
154.97682	1.0
155.08597	1.0
159.11684	17.0
163.03876	17.8
165.06967	13.6
166.07738	1.0
167.08539	2.4
171.98943	2.3
172.98802	1.2
174.07933	2.4
177.05457	2.5
177.12737	14.0
177.16339	2.3
179.08543	2.0
180.09314	14.6
183.08580	3.2
194.59343	1.3
195.08679	4.8
195.11693	29.5
195.13773	18.7
195.15538	1.1
196.12068	1.7
196.16957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	3.4
55.01862	3.3
55.05505	18.5
56.96562	7.1
57.03440	5.6
57.07061	3.8
65.03927	2.8
67.05499	67.8
69.03416	1.7
69.07060	19.4
69.44138	9.3
71.01344	1.5
71.04987	7.8
71.94106	0.9
71.95241	1.7
73.02876	1.0
78.82755	1.0
79.05486	48.5
81.02969	1.2
81.03416	12.9
81.07052	100.0
83.04972	24.1
83.08611	11.9
85.02895	1.7
85.06532	3.9
89.06017	4.7
91.05477	29.6
93.07034	70.0
95.04967	12.8
95.08598	40.2
97.05915	1.4
97.06511	15.5
97.10166	1.7
99.04455	1.2
99.08086	3.0
103.02284	0.9
103.05488	1.4
105.07023	14.2
107.04948	4.0
107.07852	1.9
107.08583	28.8
109.06519	8.3
109.10157	4.7
111.04417	4.3
111.08067	7.2
115.05468	1.4
117.03343	1.4
117.07010	17.5
119.08575	4.0
121.06527	5.8
121.10128	13.6
123.08047	1.9
123.11708	1.5
125.09575	1.2
129.06967	1.7
130.96228	1.3
131.08563	16.1
131.96138	2.0
133.02895	1.1
133.08629	1.5
133.08987	1.0
133.10117	16.8
135.04445	2.2
135.08034	6.1
135.11684	25.7
138.06596	4.1
139.07559	1.4
143.05449	2.2
148.97353	3.5
149.09616	2.9
149.13239	17.8
149.97174	4.1
151.11214	1.7
152.06010	6.6
153.06929	3.7
154.97740	1.2
155.08611	2.2
159.11694	21.4
161.06406	1.3
163.03905	18.2
163.56706	1.5
165.06989	30.8
166.07692	3.5
167.07144	2.3
167.08563	7.5
167.14336	1.4
167.98140	1.0
171.98930	1.9
172.98808	1.7
177.05496	3.5
177.11273	0.6
177.12749	16.6
177.16359	4.2
178.07793	2.0
179.08521	4.9
180.09332	27.6
181.09766	1.5
183.08638	1.2
195.02838	1.3
195.08675	6.6
195.11679	55.8
195.13780	27.8
196.12010	2.3
196.16899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03925	5.4
55.01865	3.2
55.05505	18.0
57.03418	8.6
57.07055	2.0
58.32963	2.3
63.58155	2.1
67.05162	3.9
67.05493	56.8
68.20166	2.1
69.03403	2.8
69.07053	18.3
71.04971	9.2
71.61823	3.1
79.05048	2.9
79.05482	34.9
81.03406	9.7
81.07044	100.0
83.04958	14.0
83.08614	12.1
85.06516	5.0
89.03864	2.8
89.06010	7.2
91.04911	3.4
91.05458	21.8
93.07027	60.8
95.04945	12.3
95.08593	39.4
97.06503	10.4
99.08088	3.7
105.07011	10.2
107.04912	8.5
107.08585	28.1
109.06471	4.4
109.10148	6.0
111.08050	10.1
113.09560	2.4
114.43815	2.3
114.44658	2.2
117.07004	13.7
119.08568	4.2
121.06482	7.2
121.10140	21.6
123.08052	2.2
123.11646	3.4
127.99982	2.4
129.95985	2.1
131.08559	14.5
131.96103	2.9
133.02798	3.6
133.10104	18.3
135.04385	9.7
135.08047	4.7
135.11668	31.6
137.09566	2.5
138.06558	8.1
145.02823	8.7
148.97339	3.8
149.05905	3.0
149.09596	5.2
149.13242	26.4
149.97203	10.0
151.11098	2.5
152.06154	2.5
153.06929	5.1
154.97740	3.1
155.08464	2.5
157.74840	2.4
159.11676	17.2
163.03880	52.3
165.06985	51.5
166.07664	4.3
167.08522	10.1
171.98903	3.8
172.98747	7.6
177.05473	11.2
177.12675	15.7
177.16270	14.2
179.08514	9.4
180.09302	41.1
195.02905	5.4
195.06618	3.1
195.08641	13.2
195.11667	94.1
195.13730	21.6
195.15512	4.2
195.17345	4.2
196.00362	3.2
196.11975	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	3.1
55.01859	4.3
55.05502	13.9
56.96545	1.1
57.03426	5.5
57.07055	4.1
65.03933	2.6
67.05495	62.2
69.03413	1.4
69.06709	1.7
69.07056	18.7
71.01335	3.2
71.04980	7.8
71.91382	1.0
71.95259	1.3
72.93779	1.0
73.02908	1.1
79.05485	38.7
81.03412	8.3
81.07047	100.0
82.07384	2.0
83.04976	12.5
83.08604	9.3
85.02864	1.6
85.06520	4.7
89.06029	5.7
91.05468	26.0
93.07032	65.6
94.07354	1.4
94.73761	1.1
95.04961	8.2
95.08594	38.1
97.06522	11.3
97.10139	1.2
98.20763	3.2
98.21483	3.0
99.08069	3.9
103.37591	1.0
105.07034	9.7
107.04944	3.5
107.08578	29.2
109.06506	3.7
109.10135	4.8
109.98995	1.0
110.07175	1.8
111.04462	7.2
111.08054	5.4
113.09645	1.9
113.96330	1.5
117.03347	1.8
117.07011	12.6
119.08559	3.1
119.33938	1.0
121.06480	3.7
121.10125	13.9
123.08069	1.8
123.11649	1.9
129.07010	1.5
130.96283	1.2
131.08559	12.9
131.97488	1.1
133.02844	3.4
133.08588	1.4
133.10114	16.2
135.04422	2.6
135.08035	4.9
135.10664	1.9
135.11676	30.8
137.13226	1.5
138.06630	3.5
139.11195	1.6
144.09325	1.2
145.02824	2.3
148.97339	3.3
149.05962	1.4
149.09631	3.2
149.13242	26.6
149.97205	3.1
151.11191	1.4
153.06908	2.0
153.09102	1.0
153.97882	1.2
155.08492	1.2
159.11681	19.5
163.03889	29.3
164.04297	1.5
165.06995	17.5
167.08519	4.8
171.98907	1.7
172.98885	1.3
177.05521	2.4
177.12703	16.2
177.16348	6.1
178.07748	2.0
179.08572	4.3
180.09294	18.4
195.02873	1.4
195.08939	7.8
195.10439	1.2
195.11687	31.6
195.13774	20.0
195.15512	1.3
195.17461	1.7
196.11975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.50443	0.5
53.03932	1.2
55.01863	3.9
55.05256	1.0
55.05507	16.4
56.05866	0.6
56.96565	0.6
57.03418	0.8
57.07069	4.7
59.05000	1.0
65.03938	0.9
67.05164	0.7
67.05503	8.3
69.03425	7.6
69.07061	36.4
69.81207	0.8
69.81614	3.2
70.60709	0.5
71.04985	6.4
71.08612	0.7
77.03898	0.5
79.05483	10.5
81.03411	0.9
81.07049	34.4
83.04975	2.9
83.08125	0.9
83.08611	14.8
85.06544	6.1
89.03896	1.1
89.06039	3.2
91.05465	5.7
93.06454	1.2
93.07038	22.9
95.04948	2.2
95.08597	55.1
96.08929	1.2
96.93687	0.6
97.06501	1.5
97.10157	8.5
99.08083	41.3
103.05461	0.7
105.06995	3.5
107.04952	8.8
107.08583	46.3
108.08926	1.0
109.02903	0.7
109.06516	2.2
109.10146	10.8
109.98916	0.6
110.07130	1.0
111.08067	17.1
111.11711	2.5
113.09637	6.5
117.03355	1.8
117.07000	1.2
119.08575	1.5
121.02849	4.4
121.06509	1.8
121.10133	69.0
122.10512	0.7
122.37143	0.6
123.08029	1.1
123.11669	4.1
124.05183	0.7
125.09617	25.1
125.10538	1.3
125.13182	0.8
127.11208	0.8
131.08563	1.2
131.96127	1.3
133.02795	0.5
133.08539	0.7
133.10107	1.3
134.03616	0.6
135.04376	1.7
135.08084	2.8
135.11678	17.4
137.05966	0.7
137.09647	0.9
137.13239	19.4
138.06581	2.7
139.11163	3.7
145.02815	3.5
148.97380	1.9
149.05975	1.4
149.09627	2.1
149.13260	6.6
149.97179	3.4
151.07507	0.7
151.11168	0.8
152.06169	1.3
153.05504	1.1
153.06915	1.5
153.97908	0.9
154.97684	0.7
155.08492	1.8
156.75916	0.5
159.11659	0.9
163.03914	5.4
163.07510	1.1
165.06985	21.4
166.07684	1.2
167.07104	0.7
167.08513	4.7
167.98250	1.0
170.39809	0.6
171.98933	1.5
172.98764	1.7
177.05464	5.3
177.09018	0.9
177.16368	100.0
178.16696	2.4
179.08534	2.4
180.09322	17.8
181.09621	0.7
194.10886	0.5
195.01071	0.5
195.02789	0.6
195.06456	1.2
195.08652	5.0
195.10321	2.2
195.11685	32.9
195.13625	2.1
195.15599	1.2
195.17427	18.5
196.12054	1.7
196.16997	0.7
197.36095	0.6
200.32487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01863	2.1
55.05507	0.3
65.03934	1.5
67.05496	1.8
70.94627	0.9
70.95496	0.4
70.95856	4.0
72.93778	2.0
73.02911	21.5
79.05545	0.3
81.07026	0.4
84.02048	0.3
88.96895	1.0
89.20060	0.3
90.94810	0.5
91.03944	0.6
91.05464	3.1
91.17471	0.3
92.02423	0.3
93.03407	0.4
93.07026	0.6
95.04944	2.1
96.05618	0.4
101.10754	0.3
105.07030	0.7
107.04938	0.4
107.08585	0.9
108.02071	1.6
109.02872	0.6
109.06493	0.5
109.10163	0.5
110.03633	2.6
111.04439	2.0
111.98470	3.6
112.01576	0.3
113.08255	2.2
113.96404	0.5
117.71535	0.3
119.01886	0.4
119.04926	1.8
119.08555	0.4
123.04395	0.7
125.05977	17.4
129.99486	2.4
131.97450	0.5
132.95821	4.9
133.02826	0.5
133.10109	1.5
135.11700	0.3
136.01552	0.4
137.05981	2.3
137.08160	0.5
138.06688	0.4
141.05455	4.2
147.04395	0.3
149.05971	3.4
150.96878	12.4
151.03893	100.0
151.04984	7.3
151.07437	3.6
152.04248	1.4
155.09328	0.8
155.97424	5.0
161.02962	0.4
161.09612	0.6
168.98000	0.6
173.98480	10.6
174.98499	0.4
179.07024	22.6
179.10643	1.2
180.07396	0.7
191.99490	0.5
197.00064	0.9
197.06245	0.8
197.08066	9.7
197.10014	0.7
197.11751	1.3
197.13266	0.5
198.18535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.07793	0.6
51.31562	0.6
53.03933	0.9
55.01854	1.5
55.05497	3.7
57.02595	0.6
57.03399	1.1
57.07052	1.8
58.94790	0.7
59.04979	2.4
67.05485	5.8
69.03395	2.0
69.07035	2.3
70.95850	6.5
70.98684	2.0
71.05000	0.8
72.93753	3.1
79.05472	7.0
81.07048	7.1
83.04958	1.7
85.02940	0.7
85.06551	1.1
88.96871	1.3
90.94832	1.2
91.05469	14.7
93.07027	21.8
95.04955	9.7
95.08591	3.4
97.06489	0.8
105.03376	34.4
105.07018	28.5
105.07607	0.5
107.08577	63.6
108.08858	1.6
109.06488	5.7
109.10141	6.8
111.04438	1.0
111.98466	6.1
113.05979	1.0
113.08227	2.7
113.96385	0.7
115.05480	1.0
117.07008	0.9
119.04900	2.1
119.06006	0.8
119.08554	9.7
121.06470	5.4
121.10117	1.1
123.04428	3.6
123.08046	1.8
123.11673	3.4
125.05965	2.8
129.99496	4.0
131.08530	2.5
131.97514	1.0
132.95807	7.1
133.10114	62.7
134.10417	1.8
135.08012	1.9
135.11671	54.5
136.11954	1.2
137.05952	5.5
137.08189	1.2
137.09587	5.0
143.08521	2.3
146.07277	1.7
147.04337	1.2
150.96869	20.9
151.03889	1.5
151.07576	1.4
151.11166	6.4
153.05441	2.0
154.50197	0.7
155.09404	1.0
155.97395	7.7
161.09601	32.0
165.05449	1.3
167.07047	0.9
168.97923	1.4
169.10103	1.3
173.98476	17.0
179.07117	2.9
179.10638	100.0
180.10985	3.0
182.10786	0.8
189.04112	0.8
189.87369	0.7
193.01657	0.7
197.00067	1.0
197.11700	80.6
197.13127	2.9
198.12083	1.4
198.18513	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	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.60513	0.6
55.01868	0.7
55.05500	1.3
59.04994	1.2
67.05495	2.3
69.03438	0.7
69.07077	1.1
69.62982	2.6
69.63410	2.6
70.95869	3.7
72.02006	0.7
72.93774	1.3
79.05479	2.7
81.07050	2.8
83.05013	0.7
88.96900	0.9
89.95449	0.7
91.05467	9.5
93.07042	8.5
95.04949	1.6
95.08607	2.0
104.03001	0.8
105.07021	17.1
107.08582	100.0
108.08932	1.6
109.06508	4.7
109.10170	4.5
111.98473	4.0
113.08239	2.0
119.04947	1.6
119.06022	1.2
119.08582	3.7
121.06468	2.8
121.10121	1.2
123.08023	0.9
123.11655	1.0
125.05957	1.0
129.99481	1.3
131.08560	1.9
132.95793	4.8
133.10115	55.4
134.10445	1.2
135.11681	16.7
137.05954	2.6
137.09616	3.4
139.07539	0.7
143.08553	1.5
146.07202	1.3
150.96864	9.8
151.07600	0.9
151.11177	3.0
155.08392	0.9
155.97408	3.2
161.09604	15.4
167.08591	0.7
167.10674	0.8
169.10052	1.2
173.98451	9.5
179.10658	25.3
182.10947	1.1
186.87125	0.7
197.00125	0.9
197.11705	71.3
197.13126	2.6
198.11984	1.1
198.18446	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03931	1.1
55.01858	5.8
55.05254	0.9
55.05505	14.0
57.07063	0.8
67.05481	2.2
69.03412	2.4
69.07050	1.3
69.72277	3.7
69.72697	1.2
70.95860	6.1
71.05009	1.2
72.93780	3.4
76.02690	0.5
77.29529	0.5
79.05494	3.7
81.07045	18.5
83.04971	1.0
88.96895	1.0
89.98462	0.5
90.94783	0.7
91.05476	3.2
93.07046	3.8
95.04961	2.0
95.08588	1.2
96.39111	0.7
97.06526	4.7
98.20798	1.4
98.21443	1.4
99.04443	6.4
105.03391	1.5
105.07027	6.4
107.08578	9.8
109.06498	7.7
109.10153	6.4
111.04428	2.1
111.98467	5.3
113.08239	2.6
114.94820	0.6
115.05424	0.9
117.06976	0.8
119.08575	4.0
121.06496	2.0
121.10063	0.8
123.08045	1.0
123.11681	0.8
125.05979	67.6
126.06326	1.2
127.03899	24.5
128.06212	1.1
129.99512	4.2
132.95824	7.7
133.10123	9.6
135.11636	3.5
137.05960	100.0
137.09576	9.8
138.06398	2.4
139.07658	0.7
143.08516	4.6
145.04922	1.0
147.04285	0.7
150.96877	20.9
151.03885	1.1
151.07614	0.9
151.11174	2.5
155.09250	1.8
155.97412	8.0
161.09607	13.2
168.97925	0.9
173.98465	18.9
179.09259	1.4
179.10652	24.5
197.00079	1.8
197.10416	0.8
197.11725	19.9
197.13168	1.0
198.18500	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
54.80051	1.1
55.01830	1.1
55.05495	3.4
57.07057	2.6
59.04982	2.6
59.20711	1.0
67.05504	5.0
69.07045	2.8
69.70074	5.7
69.70486	2.0
69.81034	1.1
70.95857	5.1
72.93774	2.8
73.55370	1.0
79.05475	4.8
81.03397	1.0
81.07030	6.0
83.04977	1.1
85.06532	1.6
91.05463	12.2
93.07040	17.6
95.04971	6.8
95.08574	2.9
98.21462	2.1
105.06368	1.7
105.07014	21.3
107.08581	55.0
108.08944	1.1
109.06503	6.1
109.10159	5.7
110.16703	1.3
111.08035	1.5
111.98463	6.3
113.05951	1.8
113.08233	3.0
113.96407	1.9
117.06946	1.4
119.04903	2.0
119.08588	6.6
121.06500	5.5
121.10104	1.8
123.04391	3.5
123.11672	2.2
125.06001	1.1
129.99489	3.7
131.08553	2.8
132.95833	6.8
133.10120	54.8
134.10393	1.0
135.11679	46.3
137.05931	3.7
137.08209	1.1
137.09579	3.6
146.07201	1.4
150.96877	25.6
151.03842	1.4
151.11153	6.8
153.44775	1.0
155.09290	1.8
155.97377	8.6
161.09605	28.8
168.97986	1.2
169.10138	1.2
169.12163	1.2
173.98479	19.1
179.10655	100.0
180.10977	1.9
183.52798	1.0
197.00058	2.2
197.05914	2.7
197.11707	91.7
197.13168	4.0
198.12038	1.3
198.18506	18.0
198.20168	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.03209	1.1
53.03925	2.0
55.01874	3.0
55.05506	30.7
56.96584	1.3
57.03425	4.9
57.07063	5.2
59.06120	1.7
67.05496	30.8
69.03422	1.4
69.07058	27.9
70.95853	13.6
71.04990	10.4
71.50847	1.1
72.93769	9.1
75.31828	1.2
79.05483	16.6
81.03429	2.9
81.07047	81.8
83.04964	7.3
83.08616	22.3
85.06537	11.8
88.17721	1.4
88.28550	1.4
88.96896	3.5
90.94827	2.1
91.05475	22.7
93.07032	28.5
95.04958	4.9
95.08596	100.0
97.06523	23.2
97.10151	11.8
99.08085	4.3
101.05994	1.7
105.07021	28.3
107.08586	20.2
109.06507	4.3
109.10158	8.6
111.08071	4.5
111.98456	13.0
113.09579	1.8
113.96405	2.4
115.07576	2.0
117.07005	2.1
118.07467	1.2
119.08572	42.6
121.10143	13.1
123.08050	8.8
127.07495	2.0
129.99484	11.4
131.97452	1.7
132.95827	16.4
133.10120	36.8
135.11679	28.1
137.06013	1.5
137.09622	5.8
137.13235	28.9
139.37584	1.3
141.07002	2.4
141.09074	1.8
143.08612	1.8
147.04456	1.4
150.70103	1.3
150.96880	54.8
151.03906	3.3
151.07565	1.6
151.11177	2.5
151.14778	1.7
153.01102	2.0
153.06920	1.4
154.07774	2.2
155.08475	9.2
155.97392	18.4
155.98534	1.9
156.09412	1.7
161.09625	3.8
161.13242	79.6
167.08606	3.7
168.97975	4.0
169.10097	7.7
173.98463	42.0
179.08607	1.5
179.10674	9.8
179.14294	45.8
182.10915	8.1
197.00082	7.3
197.05998	2.4
197.07904	1.5
197.09592	5.2
197.11694	10.7
197.13274	18.5
197.15363	13.1
198.18509	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	199.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.3
54.98627	0.5
55.01859	0.5
55.05500	1.0
56.05027	0.3
56.96558	20.7
57.03413	1.2
57.07057	0.5
57.93550	0.8
60.04515	0.4
61.02907	0.9
63.27362	0.3
64.98812	0.3
67.05481	0.4
69.03423	1.8
69.07066	1.1
69.84132	0.3
70.06576	0.8
70.67248	1.1
71.04973	0.9
71.95254	1.6
72.04513	0.5
72.08146	0.9
73.02911	1.4
74.09709	1.5
74.97593	0.6
75.94602	0.5
76.00158	0.3
77.00890	0.3
79.05457	0.4
80.05020	0.4
81.03403	0.9
81.07030	0.9
83.04964	0.4
83.08623	0.7
84.04504	0.4
84.96011	0.4
85.02885	1.5
87.04464	0.4
91.05485	0.7
93.07004	0.4
95.01921	0.3
95.04936	0.7
95.06048	0.4
97.02880	2.0
97.99188	0.9
98.97570	69.5
99.04422	0.8
100.02476	0.9
100.07589	0.5
101.00841	0.7
102.96837	0.4
105.06978	0.5
107.08531	0.5
109.02847	0.7
110.01257	0.3
111.04417	1.2
115.32187	0.3
116.00201	1.3
116.01942	0.6
116.97211	6.8
116.98602	89.6
118.03531	1.4
119.01900	5.7
119.04914	0.4
120.01977	0.4
121.01654	0.8
121.10123	0.4
126.00761	1.0
127.01501	0.5
127.03883	1.0
128.06259	0.5
128.98579	1.2
129.06938	0.4
131.01863	1.7
131.99539	1.6
133.03487	1.3
134.01364	1.7
134.02954	6.2
134.06006	0.6
134.99638	100.0
136.00082	0.6
136.04550	0.8
136.07533	1.8
137.00049	0.7
137.02994	2.3
137.05959	1.1
138.05440	0.5
139.02710	0.4
140.00157	3.2
140.02328	0.6
140.04657	0.4
142.07697	0.4
143.08546	1.2
144.99805	0.5
145.03458	0.5
146.05960	0.5
146.99609	1.5
148.96152	0.6
149.01166	0.8
149.02917	0.8
151.04547	0.5
152.02214	0.6
152.04039	1.9
152.05870	0.3
152.07021	1.6
152.96944	2.2
153.00691	27.4
154.03499	0.5
154.08614	0.5
157.02931	1.0
157.04564	1.2
157.10118	0.8
157.97517	0.5
158.01237	10.7
158.02713	0.4
158.03021	0.5
158.99631	0.8
159.04993	0.4
161.01208	0.4
161.02875	1.1
163.02631	0.3
163.08611	1.3
164.06985	1.7
165.00690	0.5
168.01375	0.4
168.03584	0.5
169.04924	0.4
170.97926	0.4
172.04555	0.4
173.08221	0.4
174.99113	0.6
175.00826	0.4
175.03929	2.1
175.05583	0.5
175.98465	5.9
176.02287	12.0
176.03992	2.4
176.99133	0.5
177.00677	3.7
177.02371	1.0
178.04884	0.3
181.02826	0.4
181.09721	1.7
182.04485	1.2
182.08098	11.9
184.59035	0.5
185.02760	0.4
189.00703	0.4
193.00157	1.0
193.01854	0.6
194.00519	0.9
194.03340	2.8
194.05078	1.4
195.01743	3.5
195.03345	0.5
199.03915	2.2
199.05699	0.8
199.07719	0.4
199.10757	2.3
199.14807	2.1
199.18854	7.7
200.02269	0.4
200.04019	1.1
217.00142	1.0
217.04939	2.7
217.06737	0.6
218.05112	0.4
219.01785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1326
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03937	1.0
55.01870	1.1
55.05502	19.8
56.05826	0.9
56.96540	1.3
57.03438	1.2
57.07066	11.9
57.93549	0.7
58.07354	0.9
62.64927	0.7
67.05489	4.7
69.03404	1.3
69.07063	8.3
70.07377	0.9
71.04952	0.8
72.04496	1.2
74.09315	1.2
74.09702	8.3
79.05483	5.2
81.07039	7.3
83.04972	10.3
83.08605	2.7
84.08920	1.2
85.06525	5.6
91.05469	5.8
91.33539	0.7
93.07028	14.6
95.04964	2.2
95.08595	12.4
96.08014	0.8
97.06509	4.8
97.10159	1.4
98.97579	5.0
100.07613	3.3
101.04125	0.9
105.07023	8.8
107.08584	18.0
109.06492	3.1
109.10146	3.3
111.04425	100.0
111.08066	3.3
111.11682	1.4
113.05990	2.2
115.05436	1.1
116.97236	7.1
116.98578	7.8
117.07035	2.2
119.08555	6.8
121.06487	3.1
121.10133	3.8
122.07274	0.9
123.08061	1.9
125.05980	24.2
125.32648	0.7
127.07503	3.4
128.06219	4.0
128.07016	0.7
129.06987	5.7
130.07770	1.4
130.33731	0.7
131.08543	2.3
131.99559	1.5
134.99652	7.6
135.08037	13.5
135.10666	1.2
135.11676	19.6
137.13246	1.5
139.07532	2.5
141.06975	1.2
142.07776	6.1
143.08530	13.5
144.09314	1.0
145.10100	16.8
152.96922	3.1
153.00725	2.6
153.12721	6.2
155.08530	1.4
156.09325	2.8
157.10109	17.9
158.01204	1.4
158.10867	1.3
158.15375	2.7
163.11151	19.3
169.10127	2.6
170.10823	1.0
171.11699	4.5
174.61517	0.8
175.98537	5.4
176.02425	1.8
181.12206	38.1
184.12460	2.6
199.03752	1.2
199.07513	1.1
199.11130	1.8
199.12965	1.8
199.14822	34.6
199.18857	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	199.1479
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03920	0.5
55.05499	4.2
56.05838	0.3
56.96556	0.7
57.07069	0.6
65.02253	0.4
67.05485	1.3
69.07058	5.3
70.07938	2.0
74.09708	2.1
79.05470	3.1
81.07055	3.4
83.04975	0.6
83.08595	1.1
84.08929	0.4
86.77062	0.4
91.05463	4.8
93.07024	4.4
95.04930	0.6
95.08575	0.9
98.20612	0.5
98.97551	1.5
100.07583	0.8
103.05421	0.5
105.07021	17.6
107.08561	4.3
111.04488	0.8
111.06837	0.4
111.11681	0.6
115.05450	1.2
116.97198	2.6
116.98599	1.5
117.06998	1.2
119.08572	6.0
128.06218	7.6
129.06995	8.8
131.08548	6.6
131.99542	0.9
133.10103	1.0
134.35028	0.4
134.99631	2.0
139.62982	0.4
141.06956	2.8
142.07765	16.4
143.08545	42.1
144.09349	1.8
145.06409	0.5
145.10095	3.9
152.96925	0.9
153.00743	0.7
155.07314	0.6
155.08498	3.7
156.09329	5.8
157.10109	49.4
158.10881	3.2
169.10092	5.7
170.10925	3.2
171.11671	10.3
175.98482	2.5
176.02252	0.8
182.10930	0.7
184.12454	5.3
197.13219	1.8
199.14801	100.0
199.18799	13.5
200.15125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.7
56.96561	12.4
57.29764	0.5
61.45766	0.6
69.93674	0.8
69.94078	2.8
71.95257	1.5
84.17900	0.5
98.97575	93.6
112.00179	0.5
116.98610	100.0
117.98955	0.7
134.99648	74.0
135.04953	0.5
140.00165	2.6
153.00697	15.8
158.01224	6.7
176.02324	2.1
177.00735	5.2
195.01735	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98623	0.6
56.96556	14.1
59.34361	0.4
66.02795	0.4
71.60212	0.7
71.95258	2.0
98.97571	99.0
99.97900	0.5
116.98604	100.0
117.98944	0.5
119.01896	1.1
134.99640	83.2
135.99965	0.5
137.03009	0.5
140.00179	3.4
153.00687	18.7
158.01231	8.0
176.02266	2.8
176.03754	0.5
177.00674	5.9
195.00015	0.6
195.01744	6.3
218.03384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.96561	14.1
57.07072	0.7
57.20803	0.4
61.02881	0.6
69.03423	0.9
70.47742	1.3
71.95245	1.5
73.02904	1.2
80.07668	0.4
81.03417	0.8
82.06559	0.4
82.51102	0.4
83.96042	0.4
84.08133	0.9
85.02893	1.1
90.68277	0.4
91.05472	0.6
95.70482	0.4
97.02889	1.2
97.92645	0.5
98.97572	81.3
99.40569	0.4
99.97863	0.6
100.02475	2.2
101.00875	2.0
111.67517	0.4
113.00827	0.4
116.98606	100.0
118.03511	1.7
119.01904	14.8
119.04893	0.8
126.00737	1.5
128.07117	0.5
128.98582	1.3
131.01889	5.5
133.03500	0.8
134.99641	97.8
136.00011	0.4
136.04570	0.6
136.06174	0.9
137.00114	0.4
137.02946	5.1
140.00168	3.1
142.03554	1.0
143.01851	0.5
146.99614	1.0
147.04381	1.0
149.02936	5.6
151.04480	0.5
153.00688	25.8
154.03468	5.7
154.12247	0.4
156.05060	1.4
158.01245	9.9
158.99638	1.3
159.01517	0.7
161.02928	1.2
164.03276	0.6
172.04530	4.5
174.06120	1.1
176.02286	3.6
177.00699	6.9
177.02422	5.2
177.04053	0.5
181.02901	0.5
182.02980	2.1
182.04501	2.5
190.05620	1.0
191.03883	0.7
195.00061	0.9
195.01758	6.8
195.03516	3.4
199.18860	1.6
200.02205	0.9
200.04002	11.1
200.05817	0.6
201.02419	1.4
214.91893	0.4
218.03221	0.8
218.05092	6.7
219.03462	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03951	0.9
55.05507	3.5
56.96571	0.5
57.03457	0.4
57.06829	0.5
57.07070	2.9
59.93102	0.3
60.63029	0.4
65.03912	0.7
67.05499	5.6
69.07064	4.1
71.04985	0.5
71.08627	0.8
71.34470	1.0
77.03905	0.4
79.05479	6.0
81.07047	17.7
83.08613	1.4
91.05467	9.7
91.06001	0.7
93.07034	15.6
95.04961	1.5
95.08596	14.9
103.05460	0.8
105.07021	23.7
107.08582	20.9
108.08912	0.5
109.06499	0.9
109.10145	4.5
115.05447	0.8
116.06202	0.7
117.07005	9.2
118.96754	2.6
119.08566	18.9
120.08920	0.5
121.10133	9.4
128.06174	0.9
129.06979	2.8
130.07808	3.3
131.08557	28.5
133.10123	10.9
133.99034	0.4
134.99707	0.6
141.07057	0.7
142.07800	1.2
143.08551	5.0
144.09328	5.1
145.10107	57.7
146.10768	2.7
147.11685	1.0
150.95711	0.6
154.96452	0.6
155.08464	0.7
156.09277	0.6
157.10141	5.1
158.10905	2.7
158.12135	0.3
159.11676	63.5
160.12114	1.4
168.09360	0.5
171.11655	2.8
172.12450	1.6
173.09818	0.5
173.13249	18.3
174.89661	0.4
177.98062	2.5
183.11650	1.1
186.14070	2.0
199.14868	0.6
200.99637	0.8
201.05429	0.8
201.08998	1.1
201.12689	4.4
201.16360	100.0
201.23952	2.2
202.16692	3.7
209.05890	0.4
217.56911	0.5
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
55.05488	2.0
56.96552	0.9
57.07064	3.3
67.05499	2.3
69.07042	2.1
69.30147	2.3
69.30571	2.6
79.05484	2.7
80.22293	0.4
81.07052	5.1
83.08593	0.6
91.05477	6.7
93.07046	4.9
95.04944	0.6
95.08594	6.1
97.99187	0.5
103.05443	0.6
105.07011	9.4
107.08581	6.8
109.10114	1.5
109.66510	0.4
114.05458	0.4
115.05471	0.9
116.06229	0.8
117.06995	5.9
118.96763	2.5
119.08578	6.3
121.10138	2.5
128.06212	1.2
129.06946	2.5
130.07785	3.3
131.08548	41.9
132.08879	0.6
133.10107	8.4
133.99130	0.7
137.05954	1.1
140.31067	0.4
141.06900	1.0
142.07784	1.0
143.08528	4.1
144.09360	2.9
145.06459	0.7
145.10101	33.7
146.10529	1.0
147.11661	1.0
154.96434	0.7
157.08897	0.8
157.10112	7.9
158.10867	1.6
159.08073	1.6
159.11673	37.8
160.12015	1.0
168.09265	0.9
171.11708	3.0
172.12434	4.3
173.09706	0.5
173.13251	16.8
174.13469	0.5
177.98022	3.0
183.11668	1.8
186.14015	7.2
199.14687	0.6
200.99706	0.9
201.05493	0.8
201.09077	1.8
201.12697	5.3
201.16353	100.0
202.16652	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	201.1634
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05492	1.4
56.96544	1.2
57.03426	0.5
57.07068	2.8
57.08902	0.4
67.05499	3.8
69.07060	2.6
69.70928	3.3
75.84878	0.4
79.05476	2.7
81.07049	5.9
82.07362	0.4
82.61226	0.5
91.05471	4.4
93.07028	3.3
95.08591	5.6
105.07024	6.9
106.66644	0.4
107.08573	4.1
109.10128	1.2
114.05573	0.6
115.05458	0.9
116.06192	1.0
117.07001	5.1
118.96749	0.9
119.08578	6.0
121.10110	1.4
128.06184	0.7
129.07007	2.9
130.04605	0.6
130.07779	2.7
131.08554	39.8
132.08890	0.8
133.10120	10.0
137.09673	0.6
142.07790	1.0
143.08519	2.7
144.09312	3.9
145.10103	30.4
147.11678	0.6
151.07007	0.9
151.57108	1.2
155.08536	0.6
157.10110	7.1
158.10854	1.9
159.11671	51.5
160.12085	0.7
171.11674	4.0
172.12444	4.2
173.11729	0.7
173.13231	14.0
177.98044	0.8
186.14064	3.9
186.60973	0.7
201.09090	1.1
201.12631	2.3
201.16359	100.0
202.16695	3.0
217.07504	1.0
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
53.03947	1.5
55.05504	3.6
57.07073	4.1
61.69802	0.6
65.03913	0.9
67.05495	10.0
69.07060	9.1
69.29910	7.2
79.05479	8.4
81.06570	0.8
81.07047	16.7
83.08607	2.9
88.07607	0.9
91.05473	12.5
93.07032	16.8
95.04954	2.0
95.08591	17.6
103.05457	1.0
103.79983	0.6
105.07020	28.2
106.07349	0.7
107.08583	22.0
109.06474	0.8
109.10143	7.1
110.99564	0.6
115.05426	1.7
116.06223	0.9
117.07009	13.4
118.96821	0.8
119.08567	18.2
120.08858	0.7
121.10130	12.9
123.07978	0.9
128.06197	2.0
129.06995	4.6
130.07791	6.3
131.08554	31.2
133.10117	10.4
135.11607	0.7
142.07761	2.2
143.08549	7.6
144.09329	6.1
145.10109	85.0
146.10941	3.0
147.11650	1.4
154.59174	0.7
155.08525	1.6
157.10086	5.9
158.10898	3.2
159.08057	1.5
159.11674	59.2
160.12253	1.0
166.09769	0.7
171.11702	3.5
172.12376	1.9
173.05981	1.0
173.09554	1.4
173.13242	15.4
183.11653	2.1
186.14008	2.7
199.14839	1.1
201.05399	3.0
201.09132	3.3
201.12746	6.6
201.16360	100.0
202.16722	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41994	1.0
56.05030	1.0
57.07050	0.9
69.03974	0.7
69.60034	0.9
70.60789	3.4
81.07042	0.9
96.82978	0.8
100.02440	1.5
100.97176	1.0
101.00856	10.2
118.03503	3.2
119.01904	100.0
120.02009	3.0
121.01594	0.9
134.99666	0.9
136.04532	1.6
136.99211	1.1
137.02945	60.8
137.03943	2.3
138.03082	1.4
142.03476	36.0
143.01971	1.2
160.04539	29.4
161.02913	14.3
161.04108	1.9
161.04881	1.2
165.05048	2.0
178.05577	8.2
179.03981	48.4
179.05452	2.2
180.04201	1.0
184.04492	2.1
184.06026	1.0
187.70035	0.8
202.05595	4.1
202.07196	1.0
206.86584	1.0
208.67358	0.9
220.02104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.5
62.80597	1.2
64.26135	1.4
70.85726	3.0
70.86082	2.8
89.45581	1.3
96.93620	1.7
98.97556	3.8
100.02480	15.5
100.97164	1.9
100.97934	1.4
101.00871	7.7
116.98608	5.7
118.03518	10.5
118.98142	1.7
119.01908	100.0
120.01998	2.5
124.02417	2.0
134.99638	5.0
136.99216	1.8
137.02946	57.6
142.03485	41.2
149.06244	1.3
160.04538	30.6
161.02945	17.4
161.04216	2.2
165.05125	2.0
168.39444	1.4
177.01003	1.8
178.05618	4.7
179.03993	54.5
179.98053	3.0
180.04106	1.6
184.04607	2.1
188.49330	1.9
197.99229	11.1
199.50072	2.6
200.00034	1.5
202.05621	3.0
220.02193	2.7
221.01691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01871	1.1
55.05510	8.7
56.04777	1.4
56.05032	17.2
56.96560	7.0
57.03419	1.1
57.07074	1.2
58.99582	28.0
61.01132	0.9
67.05497	1.7
68.05031	1.2
69.07060	1.4
71.62894	0.8
74.00663	1.0
74.97607	1.8
76.02225	7.9
79.03986	0.9
79.05487	35.1
80.05025	1.5
81.07050	24.2
82.06576	9.4
84.04507	0.8
84.08167	0.8
85.01122	100.0
86.00648	14.9
86.01453	1.5
86.99048	17.5
88.02213	3.4
88.03989	2.7
88.07632	0.8
91.05475	4.9
93.07039	1.9
94.06563	1.5
95.04946	2.3
95.08593	2.9
96.04504	1.0
96.08126	2.5
97.02886	1.2
97.06557	0.9
97.08910	8.1
98.09685	35.7
98.97578	4.9
100.02180	1.0
105.00095	8.3
105.07043	3.9
107.08588	1.4
110.01270	1.1
110.09692	1.7
113.04221	56.6
116.98608	6.0
119.01883	6.4
119.04947	7.2
119.08562	1.7
120.01164	2.4
121.10069	1.0
122.09667	2.1
122.85883	1.0
128.02303	5.3
128.06158	0.9
128.98582	1.0
129.06947	1.9
130.06708	1.1
131.01653	1.4
131.08559	1.6
132.01128	15.9
132.08899	1.0
133.10136	5.2
134.07095	1.2
134.99673	7.2
137.02837	5.5
139.05751	1.8
143.01910	3.0
143.08620	1.4
145.06421	1.0
145.10110	4.1
146.10526	1.1
147.04398	25.1
148.04710	2.5
150.99144	3.0
153.00673	1.8
156.08417	8.1
157.10136	3.3
158.99715	0.9
159.04749	1.1
159.07948	1.3
159.11652	3.0
160.07567	6.8
160.12039	1.3
161.02925	8.4
161.08255	1.3
161.09637	2.5
161.13300	1.1
162.09103	0.8
163.73642	0.9
169.00208	3.2
175.07652	1.0
175.11214	1.4
177.00697	1.3
185.06323	10.6
185.09650	1.0
185.13275	2.2
191.07491	1.1
193.00174	5.5
195.04095	0.9
202.08961	22.8
202.10782	1.7
202.16884	3.7
203.06990	1.7
203.10735	2.2
203.14304	5.8
211.01292	2.5
216.01895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1427
Annotation	Anisoxide
Peak:m/z	Relative Intensity
55.05505	1.0
57.03428	0.7
57.07080	0.6
67.05499	1.2
69.03426	0.8
69.07043	0.7
70.77660	1.5
71.04970	0.7
73.02906	0.5
79.05495	1.4
81.07020	2.8
85.04639	0.5
91.05460	3.2
93.07029	2.0
95.08588	3.1
105.07024	8.6
107.08586	2.3
109.06525	0.5
109.10161	1.8
115.05413	0.9
117.06996	1.8
119.08556	7.2
119.09332	0.7
121.06479	1.2
121.10123	1.2
123.08096	0.6
128.06221	2.2
129.06969	1.2
131.08546	3.0
133.06479	2.2
133.10115	16.1
135.08034	11.0
142.07771	2.0
143.08543	5.8
145.06483	1.3
145.10106	4.8
146.07257	8.5
147.08029	7.3
147.11674	3.2
149.09703	0.7
156.09320	0.7
157.10100	3.6
159.08029	6.0
159.11667	3.0
160.08813	3.0
161.09602	100.0
161.13185	3.2
162.09995	2.8
170.10938	1.4
173.09613	4.4
173.13243	0.7
174.10413	6.8
175.11169	4.4
175.14790	1.6
185.09665	0.9
185.13261	3.2
188.11931	4.9
203.14301	97.4
203.17986	3.4
204.14618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03923	0.9
55.05508	11.0
57.07054	2.8
60.04508	1.7
67.05499	12.2
69.03415	1.4
69.07062	10.0
71.04972	3.1
71.43612	1.2
72.08280	0.9
79.05485	6.9
81.07049	17.1
83.08606	2.8
84.04485	3.0
85.06519	1.5
89.69124	0.8
91.05469	17.5
93.07034	11.9
95.04957	1.2
95.08598	31.2
96.04485	1.9
97.02881	2.2
97.10168	1.6
105.07021	48.1
106.07346	0.8
107.04962	0.8
107.08581	18.4
109.06520	3.2
109.09441	1.7
109.10144	23.9
114.05512	1.5
115.05439	1.8
117.06995	7.3
119.08571	50.2
120.08907	1.3
121.10133	13.0
123.08026	2.0
123.11711	3.8
126.05534	3.5
128.06210	2.8
129.06992	4.5
130.07770	3.4
131.08554	14.1
133.10120	88.1
134.10455	1.3
135.11711	3.8
141.06978	1.8
142.07768	7.2
143.08545	9.3
144.09308	2.3
145.06511	4.0
145.10101	28.5
146.07225	1.0
147.08044	3.0
147.11676	47.4
148.11951	1.1
155.08551	0.9
156.09328	2.3
157.10129	16.3
159.08044	6.8
159.11681	17.7
160.08794	2.0
160.12485	3.7
161.09604	8.9
161.13239	32.1
170.10925	3.9
173.13263	1.4
174.10384	0.7
174.14014	3.6
175.11171	3.4
175.14841	8.5
181.60321	0.8
185.09679	6.4
185.13240	16.0
200.28989	0.7
203.06873	1.1
203.08760	1.7
203.10635	10.1
203.14326	38.0
203.17941	100.0
204.08653	3.2
204.13878	2.9
204.18332	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03931	1.1
55.05503	12.9
57.03217	0.5
57.03432	4.9
57.07068	5.0
60.04513	1.4
65.03919	0.7
67.05157	0.9
67.05495	14.6
69.03411	0.6
69.07059	11.4
69.96223	2.6
71.04990	3.2
71.08621	1.0
79.05477	8.8
81.07045	20.4
83.08617	4.9
84.04501	1.0
85.06519	1.3
87.38503	0.5
91.05470	21.3
93.07035	14.2
95.04980	2.7
95.08593	50.7
96.04472	0.8
96.24226	0.5
97.02854	1.0
97.06554	0.9
97.10148	2.1
98.20779	0.6
103.05455	1.4
105.07016	59.8
106.07313	1.2
107.04976	0.7
107.08580	34.8
109.06493	3.8
109.10141	30.0
109.10909	1.1
115.03824	0.6
115.05440	0.8
116.06213	1.2
117.07001	8.4
118.07807	0.6
119.08562	68.5
121.06443	0.6
121.10124	14.7
123.08071	2.9
123.11719	3.9
126.05481	1.6
128.06166	2.7
129.06990	4.7
130.07770	2.2
131.08548	45.5
132.08907	0.8
133.10112	94.4
134.10468	1.8
135.08037	1.9
135.11679	3.9
141.06981	1.1
142.07771	5.4
143.08539	9.3
144.09311	1.5
145.06479	2.4
145.10107	22.4
146.07231	0.9
146.10936	0.8
147.08022	3.1
147.11662	54.6
148.12196	1.0
155.08554	0.9
156.09355	2.5
157.10103	12.6
158.10736	0.9
159.08029	4.1
159.11671	18.6
160.08778	1.1
160.12482	3.0
161.09612	10.4
161.13235	33.5
162.13692	0.8
170.10872	3.9
173.13235	30.2
174.13985	2.9
175.11169	2.2
175.14799	16.3
179.14291	7.7
180.14659	0.6
185.09657	4.1
185.13229	20.1
186.13567	0.8
193.15845	0.9
203.10701	6.8
203.14301	55.2
203.17926	100.0
204.08716	1.1
204.13725	1.5
204.18248	2.2
205.15820	1.8
219.17372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03931	1.3
55.01831	0.9
55.05503	15.6
57.07074	5.0
60.04512	2.7
67.05495	17.1
69.03436	1.0
69.07059	14.1
70.88829	2.8
71.04964	2.0
74.00629	1.0
79.05479	10.1
81.07049	27.0
82.71462	1.0
83.08633	4.9
84.04479	2.1
85.06529	2.2
91.05463	21.9
93.07029	19.2
95.04931	3.3
95.08599	40.0
96.04497	1.8
97.02866	1.9
97.10149	2.3
97.91597	1.0
103.05422	1.6
105.07019	78.1
107.08588	28.3
109.06467	1.4
109.10142	29.6
115.05405	1.8
117.07011	7.5
119.08569	58.9
121.10132	15.8
121.96709	1.0
123.11687	6.1
126.05493	2.9
128.06213	2.2
129.06976	3.9
130.07793	2.4
131.08569	12.3
133.10112	91.8
134.10442	1.2
135.11667	4.6
142.07748	6.1
143.08522	7.9
145.06459	2.9
145.10110	23.5
147.08018	2.9
147.11671	66.3
148.12271	1.2
156.09319	1.7
157.10106	14.4
158.10561	1.3
159.08032	4.0
159.11655	15.0
160.12444	3.0
161.09625	10.3
161.13245	33.9
170.07111	1.0
170.10915	2.2
171.28261	1.1
173.13210	1.5
174.14015	1.5
175.11180	3.8
175.14809	14.9
179.14355	1.3
179.85864	1.0
185.09619	4.8
185.13239	16.9
203.07014	1.2
203.10674	10.9
203.14311	33.0
203.17932	100.0
204.08690	2.2
204.13959	3.8
204.18260	2.3
212.11882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03926	1.3
55.05498	7.0
57.07067	3.7
60.04503	1.1
67.05499	13.3
69.07059	12.8
70.88477	1.0
70.88805	1.8
71.04975	1.2
71.38654	0.7
73.77738	0.8
77.03893	0.9
79.05479	6.8
81.06564	1.5
81.07045	27.4
83.08607	3.9
84.04481	0.9
91.05466	16.8
93.07031	14.3
95.04935	2.0
95.08596	37.0
96.04506	1.2
97.10136	1.1
105.07017	85.4
105.23434	0.8
106.07336	1.0
107.08577	23.6
109.06528	0.9
109.10140	28.8
114.05489	0.9
117.07000	5.7
119.08566	51.2
121.10127	15.0
123.11706	7.9
126.05492	1.6
128.06181	1.8
129.07013	1.3
130.07791	1.1
131.08560	6.1
132.09338	0.9
133.10112	58.2
135.11693	4.2
141.48897	0.8
142.07755	2.3
143.08521	4.0
145.06468	1.3
145.10094	10.7
145.11142	1.2
147.11668	72.1
148.12009	1.7
156.09261	1.0
157.10101	5.7
159.08034	2.8
159.11691	8.1
160.12462	2.6
161.09587	5.0
161.13225	26.9
166.53928	0.7
170.10847	1.5
174.14047	1.3
175.11220	0.8
175.14796	11.3
185.09584	2.2
185.13168	5.3
203.10710	4.1
203.14320	14.3
203.17928	100.0
204.08623	1.9
204.13919	1.3
204.18195	2.3
210.25130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03925	1.4
55.01859	0.9
55.05502	10.0
57.03432	3.1
57.07075	3.3
60.04524	1.2
60.75499	0.6
65.03925	0.8
67.05497	12.6
69.06711	1.0
69.07058	12.7
69.45110	5.6
69.45512	0.9
71.04959	1.1
71.08615	1.1
75.94022	0.6
79.05474	7.7
81.07046	18.3
83.08617	3.9
84.04467	1.0
85.06522	1.6
91.05465	18.5
93.07035	12.6
95.04950	1.1
95.08594	40.8
97.02883	0.8
97.10146	2.2
98.20856	2.1
103.73719	0.7
105.07014	54.0
106.07308	0.8
107.08579	35.4
109.06492	2.2
109.10140	26.6
114.05458	0.9
115.05399	0.8
117.06982	6.3
119.08564	64.5
120.08883	0.7
121.06520	0.7
121.10127	13.5
123.08028	1.9
123.11672	4.5
126.05495	1.3
128.06201	2.7
129.06940	3.8
130.07784	1.2
131.08546	40.1
132.09129	0.6
133.10110	84.1
134.10399	1.4
135.08052	1.1
135.11609	3.2
142.07748	3.6
143.08525	7.4
144.09305	0.9
144.45415	0.7
145.06477	1.2
145.10098	17.6
146.10811	0.7
147.07986	2.9
147.11662	49.4
148.12250	1.0
155.08478	1.1
156.09322	2.4
157.10107	9.1
158.10814	0.9
159.08049	3.8
159.10428	1.2
159.11678	14.2
160.12410	2.7
161.09618	8.7
161.13235	27.0
170.10854	3.1
173.13235	25.0
174.14037	3.1
175.11177	1.4
175.14810	15.0
179.14282	3.9
185.09567	2.0
185.13239	14.4
188.15611	1.1
203.10788	5.0
203.14314	47.3
203.17921	100.0
204.08714	1.2
204.14424	1.5
204.18301	1.8
205.15862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03945	2.2
55.01857	0.8
55.05503	1.3
56.96563	1.7
57.03433	0.4
57.07068	3.4
60.04507	0.8
60.37869	0.3
61.02907	0.4
61.54132	0.3
63.89481	0.3
65.03941	1.0
67.05494	1.4
67.35144	0.3
68.23216	0.3
68.99785	0.5
69.03423	1.8
69.07064	0.9
69.85947	2.1
71.04993	0.6
72.08145	0.7
72.83109	0.3
73.02921	0.5
77.03912	0.7
79.05492	1.7
80.75639	0.3
81.03407	1.2
81.07047	2.0
83.04974	0.7
85.02901	1.5
85.06537	1.2
91.05468	18.0
92.05804	0.4
93.07032	58.3
94.07354	0.6
95.04956	7.6
95.08598	1.0
97.02877	2.3
97.06468	0.5
98.21079	1.0
98.97572	0.4
99.04469	1.0
103.05449	3.3
105.04494	1.6
105.07025	5.3
107.04945	1.7
107.08579	2.7
109.02879	1.7
109.06503	0.5
109.10133	0.5
113.06026	0.4
115.05462	1.0
116.98624	0.5
117.06993	3.6
118.06544	0.5
119.01933	0.5
119.04958	0.8
119.08559	3.4
121.02916	2.1
121.06489	100.0
121.10136	1.5
122.06783	1.8
123.04411	0.9
127.03898	0.5
129.06982	1.1
130.07794	0.6
131.04932	1.1
131.08540	5.2
133.01608	0.5
133.06442	0.4
133.10120	5.2
134.99686	0.5
135.04361	0.6
135.08057	1.2
135.11679	1.4
137.79674	0.4
139.03879	1.3
141.06938	0.5
144.09320	1.2
145.06470	1.8
145.07625	1.3
145.10097	2.9
146.06015	1.0
146.08266	0.3
147.04384	1.1
147.05495	0.4
147.08035	1.8
147.11688	1.5
149.02324	18.4
149.05957	0.9
149.09654	0.8
149.13229	0.9
151.03883	0.5
154.07768	0.6
159.04472	0.4
159.07999	0.8
159.11676	8.4
160.01302	0.3
160.08752	0.4
161.05940	0.5
161.09657	0.8
161.13280	0.6
162.10251	0.5
163.03844	0.5
163.07552	1.1
163.11197	2.3
167.03438	0.5
169.10088	0.7
172.08789	0.8
175.11295	0.4
177.05467	0.9
177.09001	0.7
177.12718	1.7
181.97865	0.7
184.03918	0.8
187.11151	4.3
187.14771	1.3
188.07001	0.9
193.04350	0.7
197.01230	1.2
205.04849	1.7
205.08528	1.5
205.10078	0.7
205.12219	20.9
205.15871	1.4
206.08136	0.5
206.11827	0.5
223.02574	0.5
223.04500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03942	1.4
55.01862	1.0
55.05502	11.2
55.16473	0.9
56.96556	1.9
57.03415	1.7
57.07067	8.5
59.04998	1.5
65.03921	1.7
67.05499	8.0
69.03413	2.7
69.06718	1.3
69.07058	19.2
71.04979	2.1
72.40285	0.9
79.05480	9.8
81.03396	1.9
81.07049	19.2
83.04962	4.0
83.08613	8.0
85.06514	1.8
89.01951	0.9
91.05465	12.9
93.07038	24.3
95.04954	3.7
95.08597	28.2
97.02874	3.9
97.06513	6.1
97.10149	1.8
99.08077	4.1
105.07019	36.8
107.08582	55.5
108.08860	1.1
109.02856	2.8
109.06484	5.6
109.10143	11.6
111.08057	2.8
117.07011	11.7
117.93753	0.8
119.08569	38.3
121.02856	3.5
121.06512	8.4
121.10130	50.6
123.08047	11.6
123.11695	4.9
129.06985	1.9
130.07774	3.8
131.08546	16.5
132.09155	0.8
133.10114	29.2
135.08023	11.5
135.11655	12.9
136.08755	0.8
137.09583	2.5
143.08549	6.3
144.09293	2.6
145.10109	57.8
146.10400	1.4
147.08047	1.5
147.11671	20.2
149.02316	26.6
149.05939	1.3
149.09615	8.9
149.13240	6.7
157.10049	4.3
158.10901	4.8
159.11684	17.7
161.13242	21.7
162.10408	1.2
162.13660	1.2
163.11165	19.6
163.14801	17.0
172.12460	3.3
173.13234	0.9
174.14024	1.1
175.11238	1.0
175.14821	28.6
177.12775	3.0
177.16368	26.3
187.11182	2.9
187.14798	47.3
190.13547	1.4
205.12202	6.1
205.15862	100.0
206.16249	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.3
53.40959	1.6
55.01863	2.0
55.05505	10.3
56.96559	9.5
57.03430	2.5
57.07073	13.3
60.04510	1.8
65.03918	4.6
67.05495	11.3
69.03418	2.8
69.07059	29.6
70.74675	1.6
71.15591	3.0
79.05484	15.2
81.07047	21.5
81.71731	1.5
82.70773	1.6
83.04974	3.1
83.08611	11.0
84.15991	1.6
85.02876	2.1
85.06532	3.2
88.44881	1.5
91.05472	23.1
91.67644	1.7
92.05786	1.6
93.07037	29.7
93.12589	1.7
95.04954	4.6
95.08035	3.1
95.08597	40.0
97.02857	4.8
97.06534	3.1
99.08057	2.9
105.07020	39.4
107.04947	6.9
107.08585	71.8
109.02829	3.8
109.06481	5.2
109.10134	10.3
111.08054	2.9
113.96367	1.7
115.05447	2.0
116.77244	1.8
117.07001	18.7
119.08569	55.2
121.02853	7.8
121.03986	2.2
121.06466	6.9
121.10136	63.8
121.11017	3.5
123.08076	8.8
123.11708	2.6
127.05802	1.9
128.06163	2.0
129.06976	4.1
130.07747	5.2
131.08559	31.6
131.97456	3.3
133.10114	56.7
135.08086	7.7
135.11690	15.6
137.09552	2.2
143.08527	7.5
144.09294	3.9
145.06471	3.6
145.10110	69.4
145.11273	3.4
147.07997	2.5
147.11664	25.4
149.02333	54.1
149.09569	8.7
149.13220	6.7
153.05702	2.6
157.10109	6.7
158.10886	7.0
159.11673	33.8
161.13295	8.8
162.06194	11.7
163.07657	1.7
163.11137	20.2
163.14795	7.0
167.03314	1.8
171.06706	2.5
172.12529	4.3
173.56963	4.4
174.14088	2.7
175.14806	68.7
176.15144	2.4
177.12743	4.8
177.16380	47.8
187.11198	15.1
187.14807	65.9
205.04964	2.1
205.12320	20.1
205.14313	4.4
205.15854	100.0
206.16077	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1585
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03921	3.3
53.40959	1.6
55.01863	2.0
55.05505	10.3
56.96559	9.5
57.03430	2.5
57.07073	13.3
60.04510	1.8
65.03918	4.6
67.05495	11.3
69.03418	2.8
69.07059	29.6
70.74675	1.6
71.15591	3.0
79.05484	15.2
81.07047	21.5
81.71731	1.5
82.70773	1.6
83.04974	3.1
83.08611	11.0
84.15991	1.6
85.02876	2.1
85.06532	3.2
88.44881	1.5
91.05472	23.1
91.67644	1.7
92.05786	1.6
93.07037	29.7
93.12589	1.7
95.04954	4.6
95.08035	3.1
95.08597	40.0
97.02857	4.8
97.06534	3.1
99.08057	2.9
105.07020	39.4
107.04947	6.9
107.08585	71.8
109.02829	3.8
109.06481	5.2
109.10134	10.3
111.08054	2.9
113.96367	1.7
115.05447	2.0
116.77244	1.8
117.07001	18.7
119.08569	55.2
121.02853	7.8
121.03986	2.2
121.06466	6.9
121.10136	63.8
121.11017	3.5
123.08076	8.8
123.11708	2.6
127.05802	1.9
128.06163	2.0
129.06976	4.1
130.07747	5.2
131.08559	31.6
131.97456	3.3
133.10114	56.7
135.08086	7.7
135.11690	15.6
137.09552	2.2
143.08527	7.5
144.09294	3.9
145.06471	3.6
145.10110	69.4
145.11273	3.4
147.07997	2.5
147.11664	25.4
149.02333	54.1
149.09569	8.7
149.13220	6.7
153.05702	2.6
157.10109	6.7
158.10886	7.0
159.11673	33.8
161.13295	8.8
162.06194	11.7
163.07657	1.7
163.11137	20.2
163.14795	7.0
167.03314	1.8
171.06706	2.5
172.12529	4.3
173.56963	4.4
174.14088	2.7
175.14806	68.7
176.15144	2.4
177.12743	4.8
177.16380	47.8
187.11198	15.1
187.14807	65.9
205.04964	2.1
205.12320	20.1
205.14313	4.4
205.15854	100.0
206.16077	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03914	1.8
55.05497	14.2
56.21899	1.8
56.96547	7.0
57.00640	1.4
57.07069	18.9
57.79868	1.4
60.04520	2.8
65.03918	5.4
67.05494	12.7
69.03412	3.3
69.07060	24.1
70.01427	6.9
71.04975	2.8
71.06082	2.3
72.93764	2.0
73.06539	2.4
77.03896	2.0
79.05482	18.5
81.03397	5.8
81.03840	1.6
81.07045	39.8
83.04955	3.2
83.08597	9.1
85.02876	6.3
87.04434	2.3
91.05460	22.0
93.07040	43.7
95.04962	11.1
95.08596	51.6
97.02881	19.4
97.06516	4.2
97.10139	3.6
99.04429	3.7
103.05438	1.9
105.07014	55.9
107.04971	2.0
107.08584	68.6
109.02876	12.1
109.06501	5.2
109.10130	17.3
111.04408	2.2
111.08038	4.6
113.96374	3.1
117.06995	12.3
119.08572	37.5
121.02834	9.4
121.06470	6.3
121.10123	66.3
122.10549	1.8
123.08028	4.3
123.11685	6.6
127.03881	5.4
129.07062	1.9
130.07739	3.7
131.08559	22.4
131.97400	3.8
133.10120	24.1
135.08025	7.1
135.11679	19.5
140.06709	1.8
143.08521	3.6
145.06459	3.9
145.09019	3.3
145.10100	43.6
147.08022	3.2
147.11668	100.0
149.02328	98.7
149.09608	4.8
149.13251	32.1
158.10812	2.2
159.11673	25.8
161.13242	8.1
162.06166	5.4
163.11156	8.4
163.14822	5.7
164.56464	1.9
167.03426	3.8
172.12459	3.1
173.56937	4.0
175.14841	10.1
177.12798	4.3
177.16354	53.8
185.07787	1.8
187.11180	7.8
187.14803	33.7
190.05055	1.8
205.04941	2.8
205.08916	5.2
205.12347	16.7
205.14276	5.2
205.15865	83.8
205.19440	16.2
206.16277	1.9
206.25595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03922	3.5
55.01874	2.6
55.05509	12.0
56.96561	10.2
57.03401	1.8
57.07071	15.7
65.03932	2.8
67.05495	9.9
67.05783	1.7
69.03416	6.1
69.07066	25.4
70.06928	10.0
71.04984	4.8
79.05489	20.2
81.03423	11.4
81.07050	24.2
83.04974	3.8
83.08588	10.7
85.02891	5.7
85.06505	2.9
90.94810	1.8
91.05474	22.8
92.29709	1.8
93.07042	35.9
95.04958	7.6
95.08596	38.8
97.02901	11.0
97.06499	2.0
97.10156	2.6
98.21384	3.2
99.04411	3.1
99.08112	1.9
103.05427	2.5
105.07026	53.8
107.04948	2.3
107.08588	76.4
109.02846	5.5
109.06509	4.4
109.10150	9.4
111.08082	3.0
113.96375	3.6
115.05367	3.0
117.07013	23.6
119.08576	61.5
121.02863	9.3
121.06485	8.4
121.09295	3.9
121.10138	59.8
123.08054	9.4
123.11691	3.4
127.03890	3.4
128.06195	1.9
129.06985	4.3
130.07776	5.7
131.08562	43.4
131.33720	2.0
131.97438	6.0
133.10118	60.5
135.08029	7.0
135.11694	16.8
137.09624	4.1
142.03523	1.8
143.08557	7.6
144.09325	3.2
145.06470	3.5
145.10120	74.0
147.08006	4.3
147.11684	34.7
149.02336	87.7
149.06012	4.1
149.09604	10.4
149.13277	6.2
150.02675	3.2
153.05635	2.7
157.10080	5.4
158.10895	5.3
159.08083	2.3
159.11685	40.3
161.13304	15.8
162.06203	11.4
163.07567	2.8
163.11183	51.6
163.14850	10.2
171.06689	3.6
171.67043	2.1
172.12447	4.8
173.56996	3.8
175.14815	48.9
177.12723	3.8
177.16388	33.0
187.11176	14.7
187.14827	58.0
188.15164	3.4
196.98302	2.3
205.04950	3.6
205.08656	4.3
205.12341	30.3
205.14250	6.8
205.15872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.40279	1.3
54.08735	1.2
55.01855	1.7
55.05519	8.9
56.96552	2.0
57.03416	1.5
57.07063	7.5
59.04982	1.8
67.05494	6.5
69.03422	2.2
69.06711	2.0
69.07060	25.9
70.87595	3.4
79.05486	13.8
79.95918	1.1
80.36567	1.2
81.07051	16.0
81.66181	1.1
83.04959	4.1
83.08609	12.3
91.05460	14.1
93.07032	39.7
95.04947	2.9
95.08598	34.1
97.02890	1.9
97.06534	2.1
97.10165	2.3
105.06365	2.2
105.07026	24.6
107.08582	83.6
108.08908	1.5
109.02891	2.4
109.06497	4.9
109.10158	10.9
111.08057	2.3
117.06998	11.3
119.08567	49.1
121.02885	1.7
121.06494	3.9
121.10128	76.1
123.08077	5.8
123.11665	2.8
129.06975	2.5
130.07765	4.9
131.08549	18.0
133.10126	33.8
135.08073	6.1
135.11674	17.8
137.09567	2.1
143.08525	8.0
144.09312	2.9
145.10104	57.9
147.11659	14.3
149.02333	15.0
149.09612	10.9
149.13246	9.0
157.10092	3.1
158.10892	4.1
159.11685	15.2
161.13240	16.4
162.06146	1.4
163.11160	88.3
163.14795	15.1
164.11549	1.8
172.12468	4.1
175.14804	57.1
177.12854	1.8
177.16359	40.6
187.14807	50.2
205.15862	100.0
205.19453	8.0
206.16190	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	Mayurone
Peak:m/z	Relative Intensity
54.00399	1.4
55.01844	2.0
55.05506	8.5
57.07072	9.3
59.04966	2.4
63.07273	1.5
67.05492	7.7
69.03412	2.1
69.07057	23.7
70.24761	2.6
70.25164	3.7
71.04975	1.6
75.02957	1.5
79.05483	11.3
81.03400	2.5
81.07050	14.7
83.04984	2.9
83.08609	11.5
84.58333	1.5
85.02910	1.6
85.06528	2.2
91.05458	11.0
93.07033	27.9
95.04985	2.0
95.07973	1.8
95.08587	36.0
97.02853	4.1
97.10115	2.0
98.20767	1.8
98.21335	2.0
103.05457	1.8
105.07018	22.3
107.08582	68.5
109.02870	2.3
109.06473	2.4
109.10135	15.8
117.06995	15.0
119.08575	41.5
121.02853	3.1
121.06489	5.1
121.10125	65.3
123.08041	3.4
123.11652	3.8
130.07776	4.0
131.08553	19.8
133.10121	37.2
135.07991	4.9
135.11668	20.1
143.08562	7.4
143.82182	1.7
144.09337	2.1
145.10095	54.2
147.11693	8.3
149.02335	28.5
149.09572	4.7
149.13194	10.3
153.05687	1.7
157.10162	3.0
158.10878	5.2
159.11690	19.1
161.09630	1.8
161.13275	8.7
163.09818	3.5
163.11159	52.2
163.14771	6.4
172.12387	2.6
174.13986	2.0
175.14798	68.5
176.15062	2.6
177.16367	51.5
187.14783	43.0
187.16434	2.9
205.08403	1.8
205.15852	100.0
205.19398	11.3
221.70424	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.72983	0.2
53.03945	0.5
54.02391	0.3
55.01875	0.3
55.05500	3.0
56.96550	0.4
57.07069	10.9
60.04522	0.4
65.03928	5.2
67.05499	3.3
69.03421	0.6
69.07056	6.1
69.33653	1.1
69.34080	1.7
71.08616	0.3
72.93801	0.3
76.41322	0.3
76.83775	0.2
79.05486	3.4
81.03409	0.6
81.07047	13.5
83.08611	3.1
84.04528	0.3
85.02893	0.9
85.04842	0.3
91.05463	2.5
93.03396	2.0
93.07034	14.0
95.04943	0.9
95.08598	9.9
97.02881	2.8
97.10134	2.1
98.21491	0.5
99.04449	0.6
99.29089	0.2
105.07023	2.9
107.04942	0.4
107.08581	12.6
109.02892	1.5
109.06503	0.7
109.10137	8.1
111.04464	1.3
111.11697	1.2
113.96420	0.4
117.06984	0.8
119.08562	1.4
120.05283	0.3
121.01984	0.6
121.02862	11.8
121.03940	1.6
121.06483	0.7
121.10130	26.2
122.10458	0.5
123.08006	0.4
123.11694	4.4
126.05562	0.3
127.03912	0.9
127.05910	0.4
131.08557	1.6
131.97437	0.9
133.10123	1.5
135.08000	0.6
135.11674	7.5
137.13232	0.5
145.06453	0.4
145.10143	1.3
147.08032	0.5
147.11632	1.5
149.02324	100.0
149.13237	15.9
150.02661	4.0
154.99013	0.4
159.11687	1.8
160.04588	0.3
163.07602	0.4
163.11159	0.9
163.14841	1.6
167.03366	3.5
169.10170	0.4
175.14902	0.4
177.12804	0.3
187.11163	1.1
187.14783	1.0
190.04994	2.3
191.14258	4.0
205.04956	0.5
205.08766	0.7
205.12196	1.6
205.14191	1.3
205.16039	1.6
205.19502	9.4
206.16594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03936	1.1
55.05500	8.8
56.96552	1.5
57.07072	8.2
65.03930	2.4
67.05497	8.1
69.07063	18.1
70.87612	1.8
71.08627	1.3
79.05486	10.9
81.03397	1.2
81.07049	49.3
83.08608	5.7
85.02904	0.8
89.48070	0.6
91.05469	6.2
93.07035	43.6
95.04949	1.4
95.08595	31.2
97.02889	2.7
97.10156	4.5
103.05451	0.7
105.07023	6.1
107.08585	33.3
109.02868	1.6
109.06508	0.9
109.10142	26.2
111.11697	2.5
113.96437	0.9
116.65473	0.8
117.07042	1.1
119.08562	2.9
121.02864	4.0
121.03947	1.0
121.10132	100.0
122.10477	1.3
123.08094	0.9
123.11695	12.4
127.03946	1.1
131.08554	1.9
131.97467	0.8
133.10098	3.5
135.08150	0.8
135.11682	22.5
137.13234	1.9
145.10104	2.0
147.11667	3.0
149.02327	41.6
149.13239	38.5
150.02672	1.2
150.13539	1.0
159.11708	1.7
161.13223	1.2
162.06345	0.8
163.11148	0.9
163.14816	4.7
167.03401	1.2
169.06715	0.7
177.16406	0.9
187.11174	1.1
187.14804	1.4
205.08752	1.5
205.12140	2.0
205.15858	1.9
205.19502	29.7
205.21437	1.6
206.19722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91908	2.7
55.01861	12.6
55.05502	4.4
56.96287	5.9
56.96560	100.0
57.03431	46.3
57.07039	3.2
58.06592	6.0
59.04978	3.2
60.04517	3.3
60.95825	4.8
61.02923	60.4
67.01871	2.8
69.03422	82.6
69.07068	2.8
70.03712	3.4
70.06580	11.4
70.31333	10.4
71.01334	3.6
71.04973	4.3
73.02906	47.4
74.03218	3.4
74.97636	3.2
77.00842	3.5
79.05473	3.6
79.75821	2.3
80.05016	2.6
80.94937	2.9
81.03413	9.0
81.07059	4.3
83.00778	5.9
83.01342	3.2
83.04970	2.8
84.04500	23.4
84.96011	6.1
85.02899	75.1
86.03204	3.5
87.04458	5.4
89.00778	5.1
90.05546	4.9
92.01286	7.2
95.01310	13.0
95.08588	4.3
96.01560	4.9
96.08134	19.9
97.02866	26.3
98.01280	9.1
98.03213	4.3
98.97578	57.4
99.04445	7.6
101.02367	10.5
103.00532	3.1
103.02291	4.6
104.01271	11.5
105.07018	5.1
107.01846	4.7
109.02850	6.9
110.01283	17.7
110.01997	3.1
110.97589	8.4
111.02902	3.8
111.04385	3.8
112.01010	5.0
113.02367	65.5
113.07118	6.3
114.05447	3.9
115.03920	7.6
116.00218	3.4
116.03412	3.7
116.98613	61.9
117.01976	6.0
118.01015	4.2
118.03558	4.2
119.01826	50.6
120.02024	10.9
121.01614	16.7
121.03433	4.3
121.52063	3.9
121.97587	4.6
122.01262	3.0
124.07600	13.0
125.01763	9.6
127.01488	4.8
127.03914	12.1
128.02310	45.5
128.98575	24.2
130.52594	4.6
131.01860	10.1
132.01915	4.3
132.08922	3.7
133.01630	5.5
133.03442	5.3
134.02333	8.1
134.03566	3.4
134.10439	5.4
134.99637	52.9
137.02846	33.5
139.01610	6.1
139.53069	6.6
140.00238	3.8
140.02310	7.7
140.98538	3.4
141.01314	3.4
142.03461	13.4
142.08594	14.8
142.96524	4.4
143.00047	5.2
143.01917	3.7
145.01624	5.4
146.02319	5.8
146.99634	34.6
147.03009	4.5
148.02016	3.3
148.53625	3.0
149.02252	4.6
150.01666	3.9
150.02733	15.8
150.96831	4.2
151.03918	3.9
152.02315	4.6
153.00690	9.1
155.00929	3.8
155.02811	14.2
157.01506	3.9
158.01294	5.2
158.99629	20.5
159.07645	10.5
160.00439	3.3
160.01775	2.7
160.04428	14.7
160.09717	15.2
160.12019	7.2
160.97534	3.6
161.01186	19.9
161.02866	12.0
161.04404	3.5
162.03117	4.1
162.06203	11.5
162.99153	3.0
163.02721	8.5
163.11215	3.1
163.73724	3.0
164.03244	9.5
165.00758	16.1
167.01007	4.7
167.02373	3.7
170.00024	3.5
170.01404	7.0
170.03259	3.9
170.08070	18.8
170.99670	10.5
171.01271	4.7
171.06520	4.3
173.01154	6.8
173.02925	5.9
174.01819	3.9
174.03218	8.8
175.02647	8.7
176.01494	3.9
176.04646	4.4
177.00679	34.5
178.04977	48.0
179.02213	7.1
181.00198	4.3
182.99632	3.8
183.02228	5.5
183.97530	4.7
184.02994	6.0
186.99167	4.5
188.01390	4.7
188.09138	10.2
189.00708	25.8
191.14307	12.4
193.00105	4.6
195.01845	4.7
197.02052	11.2
201.00697	27.1
201.02475	7.1
202.98726	5.7
205.00072	6.8
206.02634	14.6
206.04492	33.7
206.08182	6.5
206.10182	24.3
206.11963	3.5
206.19003	3.8
207.01686	5.5
215.03067	9.9
219.01688	15.8
223.01157	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0447
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
55.04274	0.2
55.24475	0.2
56.96556	1.2
57.07061	0.2
66.24922	0.2
69.03427	0.4
69.98629	1.1
73.02923	0.4
73.86581	0.2
79.05473	0.2
81.03408	0.4
81.07020	0.2
82.07429	0.2
83.57755	0.2
85.02899	0.4
89.04173	0.2
93.07055	0.2
94.02989	0.3
95.04991	0.3
97.02878	0.9
98.20650	0.2
98.97599	0.3
101.66854	0.2
104.04964	0.4
105.03381	0.8
105.07031	0.4
106.07348	0.2
116.98618	0.3
118.07375	0.3
127.04020	0.2
128.04140	0.2
128.98581	0.3
132.04456	1.5
132.08873	0.5
133.02808	0.5
134.10475	0.7
134.99672	0.3
142.03429	0.3
144.10175	0.4
145.10243	0.2
146.10464	0.3
146.99617	0.4
148.12033	0.4
149.02364	0.5
150.02681	0.6
150.05467	2.2
151.03876	0.4
153.01825	0.3
160.03946	0.3
160.12003	0.7
178.04979	100.0
179.05354	1.2
183.05698	0.2
185.55363	0.3
188.11598	0.4
188.15144	0.4
191.14259	0.6
194.55763	1.4
201.00690	0.3
206.04469	58.5
207.04765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01865	17.2
55.05501	5.4
56.05016	3.0
56.96562	100.0
57.03432	49.4
57.07069	1.8
58.03756	3.0
58.06589	2.3
59.04997	3.0
60.04516	6.1
61.02921	65.3
62.03248	4.8
66.00543	1.5
67.01879	2.5
67.05492	5.0
69.03426	58.9
70.03752	3.0
70.06580	9.8
71.01350	2.7
71.04987	8.5
71.62256	2.2
71.95258	2.8
73.02911	76.1
74.03227	4.3
74.06068	3.9
74.97610	4.4
75.04465	1.8
78.95292	2.4
79.05489	2.5
80.05000	5.4
80.94952	4.7
81.03410	17.8
81.07037	2.4
83.00748	2.4
83.04974	5.5
84.04501	10.9
84.96031	9.5
85.02895	74.5
86.03235	5.2
86.03719	2.8
86.09676	3.7
87.04453	6.4
88.99107	2.0
89.00774	3.7
90.01553	5.0
90.05563	2.0
91.00484	1.7
91.03944	2.7
91.05461	2.8
92.01286	5.7
93.01910	2.1
93.07029	3.5
95.00771	3.4
95.01320	2.2
95.01929	3.7
95.04974	2.4
95.08569	2.1
96.01525	4.6
96.08128	6.7
97.00533	1.5
97.02267	3.2
97.02882	50.8
97.06485	2.1
98.01276	7.6
98.03205	4.1
98.06060	3.0
98.97575	53.8
99.02069	2.7
99.04442	10.7
100.02501	3.2
100.07640	1.8
100.51556	1.9
101.00859	8.7
101.02420	3.5
101.06033	1.8
102.02373	1.9
102.97013	2.7
103.00627	3.5
103.02320	3.2
103.03951	2.3
104.01288	5.7
105.02085	5.6
105.07019	3.4
106.06575	2.6
107.01813	4.8
109.00484	1.8
109.02871	11.5
110.01276	13.5
110.03183	2.2
110.06033	7.9
110.97565	8.5
111.02048	2.5
111.02891	3.4
111.04417	2.9
111.53019	2.6
112.01000	4.9
112.02832	4.3
113.02370	23.3
113.07125	4.4
114.05549	5.1
115.00620	2.1
115.02396	7.0
115.03928	3.3
116.02467	2.3
116.98622	43.8
117.02090	5.1
118.03512	2.3
119.00124	2.8
119.01876	83.8
119.03630	3.9
119.04919	1.8
119.97910	2.1
120.01950	14.9
120.03335	2.2
120.98021	1.8
121.01614	20.4
121.02357	2.7
121.03405	7.9
121.97563	5.3
122.01292	3.3
122.03605	2.5
122.06024	6.0
123.02091	4.2
123.03179	4.4
123.04436	4.2
123.96442	1.7
124.02676	1.9
124.07602	7.0
124.93915	2.7
124.99099	2.1
125.01764	7.4
127.03905	19.6
128.02296	36.1
128.04221	3.8
128.98608	24.9
129.02020	3.8
129.03967	3.4
129.54059	2.3
129.94127	1.8
130.52524	3.9
131.00095	2.0
131.01851	19.5
132.00786	3.8
132.02013	9.2
132.04478	2.2
133.01573	11.9
133.03444	9.3
133.54349	5.4
134.02296	4.7
134.03439	2.0
134.06033	3.6
134.99644	38.0
135.03166	7.3
137.01833	4.1
137.02887	46.5
138.03055	4.2
139.01561	3.7
139.02589	4.1
139.53099	3.9
140.02284	12.8
140.06955	2.3
140.98590	4.7
141.03044	5.1
141.03970	3.0
141.05495	3.1
142.03493	55.9
142.04585	2.3
142.08652	8.2
142.54814	2.2
143.00156	9.3
143.01869	5.9
144.01848	2.5
144.03525	2.6
144.98050	2.9
145.01646	8.3
145.03485	9.6
145.04991	5.6
146.02254	12.9
146.03613	6.2
146.08080	5.4
146.99648	37.3
147.03090	10.2
149.01186	5.6
149.02864	10.3
149.04747	2.4
149.06013	2.9
150.01740	3.2
150.03703	3.9
150.99097	3.4
151.01553	3.2
151.02693	5.9
151.03897	9.4
152.02303	6.3
153.00703	5.5
153.03035	2.6
154.01982	4.2
154.53024	3.2
155.02744	15.5
156.02113	2.8
157.01601	4.6
157.03513	4.1
158.03546	3.9
158.99657	12.2
159.03218	6.0
159.07600	8.9
160.01828	2.4
160.04517	31.0
160.09660	5.7
160.96077	3.0
160.97577	7.5
161.01199	24.2
161.02896	33.6
161.05908	2.0
162.03300	7.0
162.06165	18.1
162.56334	3.4
162.99144	5.0
163.02589	13.9
164.03259	6.8
164.04758	3.0
164.07120	2.6
164.56479	2.2
165.00641	9.6
165.03026	3.5
165.05165	5.6
165.96577	5.9
166.02119	2.4
166.03641	1.9
167.07028	2.8
168.99936	2.1
169.02605	2.2
169.04932	9.1
169.99924	2.2
170.01402	4.2
170.03348	11.5
170.08093	12.8
170.99754	10.4
171.06700	5.1
172.53571	2.8
173.01395	12.6
173.02719	12.6
173.56967	3.9
174.03053	8.4
174.99161	3.2
175.02695	16.5
175.04466	4.8
175.53683	2.3
176.01530	3.7
176.03311	9.3
177.00706	30.7
177.02180	3.8
177.04184	3.2
178.04980	39.3
179.02257	7.4
179.03891	4.1
181.00206	2.8
181.54048	1.9
182.03310	7.5
182.98177	3.7
182.99669	6.1
183.01509	2.2
183.03169	4.0
183.97606	8.0
184.03078	4.3
184.04628	7.9
185.02870	5.4
185.05304	2.6
185.55371	2.7
186.03090	4.7
186.04683	2.6
186.99065	2.0
187.00992	1.8
187.02747	7.2
187.04495	5.0
188.01172	4.1
188.03078	2.5
188.04572	2.9
188.09169	10.4
189.00674	27.2
191.02222	5.5
191.03882	8.9
191.14301	3.5
192.04037	2.7
193.00160	3.8
193.03641	2.4
193.10869	2.2
194.05568	3.6
194.55803	8.1
195.01831	2.7
196.54207	2.4
197.01918	2.5
200.04388	4.8
201.00693	30.7
201.02435	8.0
203.02286	2.6
203.04027	6.3
204.04225	5.4
205.00249	2.1
205.03821	3.8
206.02670	4.7
206.04410	24.1
206.08174	9.9
206.10231	43.5
207.01671	7.7
207.05165	7.7
208.99669	2.2
209.03185	2.8
216.00513	4.2
217.00081	3.3
219.01740	23.4
219.03568	3.3
221.05139	4.1
222.05254	6.5
223.01212	5.9
223.04828	2.8
224.02277	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	206.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	1.7
56.96562	10.8
59.85497	1.7
71.60302	2.8
98.97583	3.6
100.00481	1.6
101.00853	8.9
101.02554	2.1
105.07052	2.3
108.61546	1.7
116.98641	2.4
118.03492	2.9
119.01909	83.1
120.01987	9.6
121.01640	15.4
124.02513	2.1
134.99663	2.3
137.02945	41.0
138.03075	3.8
139.02667	8.5
140.06657	2.4
141.05069	3.5
142.03488	100.0
143.03668	8.3
144.03223	10.5
146.91885	2.8
159.06160	2.6
160.04544	48.7
161.04678	3.5
162.04320	3.9
162.06163	6.4
165.05061	7.0
172.45767	1.8
173.57042	2.1
177.00931	4.2
178.01027	2.8
179.00714	5.3
183.04750	3.4
183.06197	18.5
184.04491	1.9
188.99115	8.5
191.49495	3.9
191.99380	2.1
192.49159	1.9
197.99678	3.6
200.49963	41.2
201.00110	15.7
201.02353	3.5
201.07298	8.2
201.09717	1.8
201.49815	9.9
206.07889	3.0
209.50430	1.8
212.00768	6.3
219.01701	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	206.1174
Annotation	Bellendine
Peak:m/z	Relative Intensity
50.92357	0.1
55.05503	0.2
56.96559	0.8
57.03423	0.2
57.07057	0.3
67.05486	0.4
68.05016	0.1
68.35197	0.1
68.84649	0.1
69.03401	0.3
70.06582	0.2
71.04984	0.2
71.60583	0.3
79.05472	0.4
81.03400	0.2
81.04556	0.2
81.07050	0.3
83.06083	0.3
84.08122	0.2
85.02887	0.3
85.07659	0.3
91.05469	1.2
92.05788	0.2
93.07030	0.5
94.07355	0.2
95.04935	0.5
95.06100	0.2
95.08621	0.3
96.04456	0.2
97.02888	0.4
97.07646	0.2
98.97561	0.2
103.05432	0.2
105.07031	0.9
106.07330	0.4
107.04926	0.3
107.08582	0.3
108.05646	0.2
109.06506	0.2
109.07607	0.3
110.08408	0.2
111.09190	0.2
115.05420	0.2
116.05264	0.2
117.07008	0.2
118.07327	0.2
119.01905	0.3
119.04942	0.9
119.08573	0.4
120.08899	0.2
121.02872	0.2
121.06454	0.4
121.10130	0.3
122.07139	0.4
123.04452	0.8
123.08028	0.2
123.96449	0.2
124.08716	0.3
127.03940	0.2
129.06984	0.2
131.08595	0.3
132.08893	0.4
133.06447	0.2
133.10117	0.6
134.10426	0.6
135.04382	0.2
137.05951	0.4
139.03896	0.2
140.60129	0.2
142.03546	0.2
145.08804	0.2
145.09921	0.2
146.05971	0.3
146.09573	0.6
146.10579	0.2
147.04391	1.5
147.08017	0.5
147.11649	0.4
148.08575	0.4
148.11130	0.3
149.02313	0.6
149.05969	0.2
149.09589	0.4
150.02629	1.3
150.10214	0.4
151.03911	0.2
155.30367	0.2
159.11601	0.2
160.07541	0.3
160.12006	0.6
161.05922	0.7
161.09662	0.2
161.10774	0.3
161.11986	3.4
161.13181	0.2
162.06184	0.2
162.12732	0.3
163.03922	0.2
163.09825	0.4
171.06544	0.2
175.03854	0.6
178.04913	0.2
179.07065	0.2
188.07156	0.2
188.09285	0.2
188.10770	0.7
189.05492	0.2
189.09079	0.3
189.11308	0.2
189.12785	0.2
190.08615	5.5
191.09419	3.7
191.14276	1.0
192.03728	0.2
193.10995	0.5
197.01230	0.3
204.10265	0.2
206.11745	100.0
207.02768	0.3
207.06581	0.8
207.10168	0.3
207.12041	2.1
207.13760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99513	3.3
55.01868	27.5
55.05500	8.9
55.21317	2.9
56.96561	100.0
57.03432	65.8
57.07064	6.2
58.99850	4.6
59.05006	5.0
59.48288	3.4
61.02917	36.6
67.05479	13.6
68.49834	3.1
69.03429	47.4
69.07075	8.1
69.99445	19.7
70.03742	4.7
71.01329	14.5
71.04987	13.5
71.95248	6.1
73.02911	58.5
75.04488	4.4
79.05461	9.7
80.94945	12.3
81.03407	12.3
81.07047	10.5
83.00826	3.4
83.01316	6.9
83.04948	5.1
84.96013	9.2
85.02893	61.1
85.06519	7.5
86.03207	3.3
86.03674	4.3
87.00829	5.0
87.04459	16.0
89.02375	6.6
90.01521	4.5
90.30758	3.4
91.05486	21.0
92.01252	5.5
93.07031	15.2
95.01315	14.7
95.01856	3.4
95.04950	7.1
95.08617	20.3
96.01553	9.4
97.02897	34.7
98.01296	6.8
98.97575	68.7
99.02039	5.3
99.04436	8.4
100.02474	10.3
101.00832	5.1
101.02370	40.0
102.02290	3.5
103.03929	3.6
104.01250	6.6
105.07026	25.6
107.08568	12.1
109.02856	11.0
109.06501	10.2
109.10154	8.1
110.01260	15.9
110.97548	18.0
111.02064	4.2
112.99122	3.7
113.01696	6.3
113.02380	11.2
114.02644	4.4
115.02416	7.6
115.03928	30.8
116.98601	52.6
117.02038	10.9
117.03967	4.7
117.07002	3.5
118.03469	8.0
119.01839	45.1
119.04916	8.7
119.08584	17.1
119.51936	4.1
120.01929	4.2
120.20541	3.4
121.01615	6.0
121.03585	3.2
121.10130	8.2
121.51733	3.3
121.97576	14.8
122.02325	5.8
123.04365	4.0
123.08039	11.7
124.93913	4.7
125.01757	8.1
125.09637	4.9
127.03896	19.0
128.02287	20.8
128.52443	4.3
128.98601	34.5
129.01831	15.5
129.03999	4.1
130.52548	4.6
131.00142	5.0
131.01834	20.7
131.03400	6.8
131.08565	6.0
132.56735	3.6
133.01620	7.6
133.03450	15.7
133.10121	17.7
134.02321	5.5
134.34595	3.5
134.99641	39.6
135.03145	4.6
135.05019	4.8
137.02864	12.2
137.09549	3.8
140.02330	22.4
142.94948	3.7
142.96513	5.4
143.00122	11.0
143.01845	13.1
143.03462	18.5
143.08470	4.0
145.10129	4.5
146.02271	10.9
146.99622	41.0
147.02959	8.6
147.04156	6.7
147.08060	6.3
147.11685	13.6
149.01218	5.8
149.02812	21.7
149.05975	3.7
149.09642	6.1
150.99118	6.1
151.02679	4.4
151.07513	6.1
152.02231	6.7
153.00703	5.0
153.03119	9.7
155.02878	18.0
156.03276	5.8
156.04442	3.7
157.01312	15.2
157.03429	4.4
158.03362	5.2
158.06677	4.2
158.99649	15.1
159.03015	4.8
159.11665	3.7
160.96066	8.9
160.97597	18.7
161.01215	35.9
161.02913	57.0
161.05859	4.3
161.09637	7.0
161.13264	8.6
162.99039	5.4
165.00702	12.1
165.12798	4.0
165.96516	14.2
170.03360	13.2
170.99640	11.0
171.11617	6.9
173.01247	7.2
173.02890	11.5
174.03091	5.0
175.02480	3.8
175.04076	5.7
176.03502	5.0
176.94167	3.6
177.00694	30.5
177.02180	6.2
177.04016	5.1
178.98615	6.8
179.02263	11.8
179.03934	12.9
179.05344	7.4
182.03349	8.5
183.97612	24.7
184.04520	33.3
185.02937	13.3
189.00722	35.5
189.04018	9.0
189.09277	5.8
189.12750	10.0
191.02325	5.0
191.03868	29.1
192.04176	6.4
193.00157	6.7
195.01924	5.9
195.55588	4.0
198.04826	4.8
200.04350	8.1
201.00699	19.4
201.02332	3.9
202.05551	4.3
207.01634	6.7
207.04939	7.4
207.06639	27.7
207.10072	6.9
207.13834	31.1
207.17418	7.5
211.55197	4.7
219.01733	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02367	0.7
53.03944	5.0
55.01866	1.0
55.05506	8.3
56.96564	1.0
57.03424	0.6
57.07064	0.8
60.26566	0.8
65.03941	1.1
67.05495	27.4
69.03407	0.8
69.07059	8.1
70.49277	1.1
71.04987	2.7
72.12710	0.5
73.06535	1.3
74.45428	0.6
79.05485	47.3
81.03397	1.6
81.07043	24.2
83.04986	3.5
83.08588	4.2
85.02882	0.9
85.06545	2.4
91.05471	46.2
93.07035	100.0
94.07386	1.1
95.04346	1.0
95.04959	18.6
95.08595	11.4
97.06512	2.4
97.10166	1.6
103.05476	1.0
105.04509	2.4
105.07021	25.9
107.04935	1.5
107.08582	12.5
109.06519	5.0
109.10130	3.0
111.04474	0.6
111.08086	1.9
115.05421	0.7
115.96424	0.9
117.07006	4.5
119.04919	0.7
119.08572	16.5
119.09444	0.8
121.06482	2.2
121.10185	2.9
123.08048	4.8
123.11674	0.9
127.07545	1.9
128.06229	1.4
129.06990	10.7
131.08562	1.8
133.06516	1.1
133.10109	6.6
135.08058	0.8
135.11694	1.7
137.09583	1.0
143.08585	5.2
145.10107	7.5
147.08022	2.7
147.11670	54.2
147.80721	0.6
148.12007	0.9
149.09601	2.2
151.07524	0.9
151.11131	0.7
156.09311	0.8
161.09575	5.0
161.13239	10.6
163.11198	1.2
165.08937	0.7
165.12727	1.4
171.11678	24.3
175.08778	0.9
184.09354	0.8
189.12711	12.2
189.16382	1.4
195.60167	0.7
207.06538	1.3
207.13770	32.5
207.17139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02375	0.7
53.03937	5.7
55.01868	0.9
55.05506	8.1
59.31345	0.8
67.05493	30.6
69.03416	0.8
69.07061	7.7
70.61344	2.5
71.04974	2.4
73.06552	1.0
77.03899	1.4
79.05485	54.5
81.03405	2.6
81.07047	22.9
83.04974	3.4
83.08614	3.1
85.06535	2.4
91.05470	50.4
92.05775	1.0
92.91316	0.7
93.07031	100.0
94.07349	1.4
95.04955	18.8
95.08597	10.9
97.06506	2.4
97.10163	1.6
97.79089	0.8
98.23654	0.8
105.04514	2.1
105.07016	28.9
106.59874	0.8
107.08588	10.9
109.06515	3.8
109.10155	1.2
117.07019	5.5
119.07774	1.4
119.08563	15.4
121.06484	2.7
121.10098	2.1
123.08047	3.0
127.07538	1.8
128.06160	0.9
129.06987	10.9
131.08513	1.0
133.10132	5.4
143.08557	5.3
145.10094	8.7
147.08046	1.8
147.11664	51.8
148.12003	1.2
156.09349	0.9
161.09605	4.3
161.13251	8.1
171.10222	1.5
171.11665	21.3
189.12726	13.3
207.13788	33.8
208.14256	1.0
226.76416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.4
55.01848	0.9
55.05505	5.6
57.07068	4.2
59.04986	1.5
65.03951	1.0
67.05499	28.6
69.03429	3.3
69.07063	2.7
70.74451	1.9
71.04987	1.9
79.05489	3.8
81.03390	0.6
81.07040	5.5
83.04974	3.3
85.06537	8.9
91.05475	6.3
93.07037	12.2
95.04974	4.3
95.08596	100.0
97.06525	1.1
98.20931	1.0
105.07014	14.3
107.08588	15.4
109.06492	5.3
109.10141	2.2
113.06001	6.1
117.06997	1.7
119.08569	23.0
120.09384	1.1
121.06451	3.3
121.10126	15.7
123.08058	47.2
123.11697	6.2
125.09644	0.9
129.06973	1.1
130.07680	0.8
131.08548	4.2
133.06465	2.1
133.10104	4.4
135.08018	1.1
135.11685	4.6
137.09608	3.9
137.13281	1.9
143.08522	1.6
145.06480	0.6
145.10135	2.0
147.08029	4.5
147.11668	11.2
149.09604	48.1
151.07527	1.5
151.14809	3.2
156.09357	2.1
159.07979	0.9
159.11681	1.2
160.08888	0.7
161.05954	5.2
161.09613	2.2
161.13248	17.0
163.11174	2.0
165.09125	1.9
165.12741	10.7
171.11649	4.1
174.10448	3.3
179.14293	2.2
184.67390	0.6
189.09108	2.1
189.11023	1.4
189.12717	17.9
207.13785	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01861	3.3
55.05503	10.6
57.03406	1.7
57.07056	1.9
57.44364	0.9
59.04979	1.2
65.03923	1.3
67.05502	11.9
69.03435	6.2
69.07060	10.1
70.70042	2.0
70.70412	2.1
71.04992	7.3
79.05482	8.2
81.07048	13.5
83.04972	5.8
83.08598	4.1
84.49481	0.8
85.02895	18.8
85.06538	18.5
91.05477	12.5
93.07030	14.1
95.04950	14.6
95.08600	14.1
97.02888	2.2
97.06518	23.1
99.04427	2.5
103.05446	1.1
105.07014	19.6
106.25620	0.9
107.04936	1.3
107.08588	23.1
109.06505	100.0
109.10135	10.9
111.04446	0.9
111.08068	75.2
113.05994	2.4
113.08878	0.9
113.09758	1.0
116.06062	1.0
117.06996	4.1
119.04918	4.1
119.08567	29.3
121.06482	5.0
121.10130	22.6
122.07250	1.4
123.04405	3.2
123.08051	21.3
123.11680	14.5
125.05984	1.5
125.09618	2.0
128.06126	1.7
129.06973	1.4
131.08519	7.4
133.06450	3.1
133.10107	17.2
135.08040	5.8
135.11655	3.0
137.06091	1.4
137.09605	12.7
137.13254	5.8
141.07013	2.4
143.08527	4.5
145.06499	1.3
145.10121	6.7
146.03658	1.5
146.07225	1.9
147.04373	2.6
147.08041	9.0
147.11665	40.8
148.08661	1.0
149.02328	2.5
149.09602	38.0
151.07524	16.1
151.11127	1.7
156.09320	14.5
159.08009	5.6
159.11728	1.0
160.08810	2.8
161.05951	11.4
161.09596	16.4
161.13243	17.6
163.07550	1.5
163.11180	4.5
164.04655	4.1
164.08319	6.7
164.11954	1.5
165.09105	12.2
165.12738	28.0
171.11678	22.2
174.10396	12.2
175.11098	1.0
177.09108	2.2
178.09825	1.0
179.06995	2.7
179.10608	3.0
179.14281	3.0
189.09132	4.7
189.12724	48.8
192.04172	1.0
207.06471	10.7
207.10384	2.3
207.13783	66.3
208.14168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03944	0.8
55.05513	4.7
57.03419	2.9
57.07063	3.0
59.52910	0.8
67.05497	7.9
69.07057	8.8
70.84531	1.5
71.04980	1.7
71.31329	0.8
79.05489	7.4
81.07047	15.4
83.04984	1.4
83.08605	2.4
85.06530	5.4
91.05473	10.6
93.07032	24.9
93.12318	0.8
95.04951	1.8
95.08596	29.9
96.08942	1.0
97.06487	1.1
97.10191	1.1
99.08118	1.0
104.74706	0.9
105.07024	22.7
107.08582	48.2
108.08951	1.3
109.06510	3.5
109.10153	10.2
111.08068	2.0
119.08566	35.4
120.08801	1.0
121.10143	10.7
123.08075	7.0
123.11680	8.6
127.72717	0.9
131.08563	2.5
133.10121	40.7
134.10408	1.0
135.11676	79.7
136.12003	1.8
136.58203	1.0
137.09616	5.9
137.13179	0.9
145.10101	4.0
146.10834	1.8
147.11676	32.3
149.13231	7.9
151.11171	11.7
161.13217	6.4
163.14795	14.5
165.12741	2.8
168.25836	0.9
168.48767	1.0
183.69356	1.0
189.16364	100.0
190.16682	3.2
192.09444	1.3
207.06500	1.8
207.11931	1.9
207.13783	4.5
207.17424	61.7
208.17731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05504	5.6
57.03419	3.8
57.07061	2.0
65.64043	0.9
66.75217	0.9
67.05499	11.7
69.07061	9.2
69.47813	7.9
71.04979	1.4
79.05497	8.2
81.07050	14.2
83.04959	1.6
83.08607	3.3
85.06523	4.0
91.05474	9.8
91.14173	0.9
92.37980	1.0
93.07038	27.4
95.04937	3.1
95.08596	31.0
96.08932	1.6
97.06489	1.3
97.10149	0.9
99.08046	1.3
105.06377	1.6
105.07022	23.5
106.79217	1.1
107.08583	46.4
108.08968	1.1
109.06514	4.8
109.10142	10.0
117.06979	2.0
119.08568	36.5
121.10114	11.1
123.08035	5.9
123.11680	7.2
131.08507	3.0
133.10117	39.9
135.11674	84.6
136.12067	1.2
137.09612	7.3
137.13231	1.6
145.10126	3.2
147.11674	31.2
148.12009	1.7
149.09581	2.8
149.13257	7.5
151.11160	12.8
160.12436	1.3
161.13239	7.8
163.14807	13.7
165.12770	2.9
171.11656	1.6
189.16364	100.0
190.16670	2.4
207.06531	1.7
207.10091	1.2
207.12047	1.4
207.13872	4.6
207.17426	62.9
208.17825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03929	2.3
55.01865	2.1
55.05254	1.2
55.05505	15.0
56.96553	1.2
57.03426	4.4
57.07067	4.9
59.05009	1.0
65.03947	1.7
67.05499	34.4
69.03415	3.2
69.07061	15.6
71.04979	2.7
71.34851	1.0
71.63564	1.1
75.11047	0.8
79.05485	25.0
81.03412	5.1
81.07049	38.3
83.04966	5.4
83.08614	9.1
85.02953	1.1
85.06521	5.9
87.40665	0.7
91.05469	24.6
93.07037	46.2
94.07368	1.1
95.04966	5.8
95.08598	53.1
96.08933	1.4
97.06516	4.4
97.10161	2.4
99.08097	1.6
105.07022	29.6
106.07389	0.9
107.08583	64.7
108.63013	0.8
109.06506	7.7
109.10144	17.1
110.17108	0.9
111.08073	4.1
111.11720	1.0
115.96436	0.9
117.06985	1.0
119.04939	1.8
119.08572	50.5
120.08864	1.1
121.06493	1.5
121.09288	1.7
121.10133	21.1
122.64253	0.8
123.08063	12.6
123.11696	9.5
125.09658	1.5
127.07544	1.3
129.06987	1.6
131.08580	4.7
133.06483	1.0
133.10117	47.1
133.97455	1.0
134.10486	0.9
135.11681	85.5
136.12016	1.9
137.09604	10.1
137.13231	1.5
145.10091	5.3
146.10905	1.4
147.04417	2.0
147.07976	1.1
147.11676	45.1
149.09616	4.8
149.13242	10.2
151.07545	1.6
151.11179	12.0
159.11636	1.4
160.12508	1.1
161.09563	1.8
161.13239	11.0
163.14830	11.5
164.14928	0.9
165.12761	2.8
165.16415	1.2
171.11687	3.5
174.14026	0.9
177.15442	1.2
179.07022	1.0
187.60306	0.9
189.12796	7.8
189.16368	100.0
190.16695	2.4
192.09377	2.3
194.11479	0.8
196.60863	0.9
207.06430	4.9
207.09923	1.6
207.11896	1.9
207.13850	16.3
207.17433	77.9
208.17805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.9
53.93157	1.5
55.01860	8.2
55.05506	100.0
56.96555	2.0
57.07067	3.5
59.04991	8.0
66.09037	1.4
67.05499	11.8
69.03434	7.4
69.07054	11.7
71.03251	1.9
71.03597	3.7
71.04991	8.2
79.05476	10.1
79.23322	1.3
79.98422	1.4
81.07051	20.2
82.06568	7.8
83.04976	58.5
83.08614	64.2
84.08128	3.3
85.02912	2.7
85.06541	5.9
91.05483	10.5
93.07034	32.5
95.04963	55.4
95.08599	11.8
97.06518	12.3
97.10188	9.0
98.97587	2.2
99.04436	13.7
99.08096	1.5
100.11246	29.4
103.05445	3.5
105.07018	12.0
107.08587	39.9
109.06519	23.1
109.10143	28.0
110.06040	5.0
111.04373	1.6
111.08076	16.7
115.07578	3.4
119.04979	2.0
119.08557	5.8
121.06528	7.5
121.10133	82.7
123.08040	7.1
123.11719	10.7
124.33092	1.6
125.09621	13.2
127.08694	2.7
131.04884	2.4
131.08559	5.3
133.10106	14.8
135.04393	1.4
135.08018	3.7
135.11655	3.8
139.08653	6.6
139.11148	1.4
145.02780	2.1
145.10121	3.6
147.11655	1.5
149.05988	4.9
149.09567	4.4
149.13258	10.7
149.44823	1.4
151.11169	56.9
153.09088	22.4
163.03835	2.1
163.07494	2.1
163.11108	2.3
163.14818	19.2
166.06528	1.5
166.07782	1.7
167.14301	74.0
168.88199	1.6
173.13206	10.4
177.05460	10.2
181.10075	2.3
185.55760	1.9
191.07047	2.7
191.10638	2.0
191.14323	15.2
209.04440	4.2
209.08035	5.0
209.09711	4.9
209.11765	2.3
209.15088	50.0
209.16754	7.1
223.04126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	2.3
55.05508	92.1
56.86065	1.1
57.03428	1.8
57.07063	3.5
59.04984	5.0
62.30920	1.2
63.62782	1.0
63.86129	1.2
66.34597	1.1
67.05502	10.2
67.42638	1.1
69.03424	8.1
69.07053	10.9
71.04980	6.8
71.36528	2.0
79.05494	11.4
81.07049	15.1
83.04974	100.0
83.08612	57.1
85.06525	3.3
91.05463	7.5
93.07039	28.4
95.04353	2.4
95.04965	45.0
95.08607	12.8
96.22816	1.1
97.06531	14.7
97.10156	13.3
99.04434	6.4
99.08092	2.8
99.15964	1.1
103.05438	3.0
105.07007	6.8
106.04163	4.4
107.08586	38.7
109.05772	2.3
109.06514	32.9
109.10148	36.2
111.08073	16.9
113.09624	2.4
115.07596	2.4
119.08569	4.5
121.06496	3.8
121.10134	91.9
123.08066	4.7
123.11685	15.9
125.09618	18.2
131.08562	3.8
133.10127	16.3
135.08054	5.0
135.11662	3.2
145.10063	2.1
149.05946	5.5
149.13231	12.8
151.11174	62.6
153.09111	16.3
157.41231	1.1
163.14804	16.9
167.14304	92.2
168.14612	1.4
173.13235	6.8
177.05440	3.5
184.42796	1.4
191.14296	15.3
209.08076	2.6
209.15358	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.9
53.83617	1.4
55.01849	3.1
55.05257	2.9
55.05508	47.6
57.07079	2.1
59.04981	2.3
65.03929	1.9
67.05496	6.5
67.82856	1.8
69.03415	3.5
69.07061	9.0
71.03294	3.0
71.03632	3.3
71.04971	3.8
79.05497	7.3
81.07039	11.3
82.85246	1.7
83.04974	47.5
83.08609	33.0
85.06519	2.9
91.05462	8.1
93.07027	29.2
94.30079	1.4
95.04964	37.4
95.08592	12.0
97.05337	1.6
97.06513	6.9
97.10153	5.8
99.04464	8.1
105.07006	5.9
106.04121	2.0
107.08586	28.9
109.06504	16.5
109.10143	18.3
111.08068	5.7
119.08554	3.4
121.06505	2.4
121.10133	100.0
121.15968	1.7
123.08038	1.9
123.11676	6.3
125.09634	11.5
128.27682	2.0
133.10121	9.3
135.08038	2.9
135.11670	3.2
149.05966	4.2
149.13232	6.1
151.09970	2.4
151.11177	37.7
153.09123	12.7
163.14816	19.0
167.14307	55.3
173.13275	5.3
177.05470	2.2
191.14291	12.0
209.07919	3.3
209.15350	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02335	1.5
52.51797	1.7
53.03936	3.8
53.13411	1.9
54.36818	1.6
55.01864	15.5
55.05498	16.1
57.03421	4.4
57.07059	5.7
65.03925	6.9
67.05160	2.1
67.05496	23.2
69.03416	22.4
69.07056	13.1
69.48605	17.2
71.04986	12.8
75.04442	2.7
78.04705	3.2
79.05484	27.1
80.05045	2.1
81.03412	10.3
81.07045	40.5
83.04963	18.8
83.08590	8.2
85.02879	2.4
85.06519	8.2
91.05476	31.1
93.03397	9.9
93.07028	41.6
95.04964	34.2
95.08591	23.4
97.02862	1.8
97.06523	20.5
97.10113	2.1
97.73649	1.9
98.21518	3.2
99.04456	11.7
99.08106	9.7
100.21369	1.8
103.05463	12.1
105.03320	2.4
105.07016	29.7
106.04156	25.5
107.04932	8.3
107.08582	74.0
109.02876	2.1
109.06503	62.6
109.10156	21.5
111.04427	3.7
111.08071	8.8
115.05395	2.6
115.54771	1.7
117.03370	2.7
117.06991	6.9
119.04911	2.0
119.06042	2.1
119.08548	15.9
120.62910	1.6
121.06503	43.8
121.10120	41.0
122.07246	5.8
123.04402	3.1
123.08045	16.9
123.11709	11.3
125.05973	10.5
125.09605	12.7
131.04881	6.0
131.08572	8.8
133.10117	57.5
134.03561	3.7
135.04387	3.4
135.08043	28.6
135.11646	13.5
137.05934	6.1
137.09602	46.5
139.07477	3.8
143.08533	2.6
145.02835	2.7
145.10091	21.2
147.11653	9.9
148.05136	6.3
149.05974	43.0
149.09604	26.5
149.13242	25.7
151.07501	3.3
151.11163	20.8
153.05443	4.1
153.09084	22.9
158.10863	3.3
163.07582	3.3
163.11154	32.5
163.14812	7.7
165.05504	2.6
165.12732	71.1
167.14290	7.2
173.09586	3.1
173.13234	19.2
177.04240	2.2
177.05476	25.0
181.08559	11.1
191.06990	7.0
191.10725	12.4
191.12582	3.4
191.14278	44.7
191.84514	2.0
194.05653	2.4
209.07971	27.2
209.09633	4.1
209.11714	8.7
209.15337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.47610	1.0
55.01849	1.3
55.05508	4.2
57.07058	2.7
65.03946	1.2
65.22572	1.1
67.05489	6.3
69.03427	12.0
69.07060	6.0
69.47137	9.1
71.04986	1.5
75.23036	1.1
79.05485	8.0
81.07053	17.3
83.04976	3.8
83.08614	2.0
85.06521	2.5
91.05476	9.8
93.07060	7.3
95.04942	3.7
95.08602	6.4
97.06528	2.7
105.07028	9.1
106.04162	2.9
107.04967	1.9
107.08591	31.7
109.06515	17.1
109.10161	8.6
111.08064	2.5
115.05449	3.8
117.06989	3.4
119.08584	4.8
120.36200	1.3
121.06499	4.4
121.10139	20.9
122.07285	6.2
123.08057	4.3
123.11707	2.2
125.09616	18.2
131.08557	3.8
133.10124	100.0
134.10500	1.2
135.08047	26.2
135.11679	3.6
137.09608	67.6
138.54337	0.9
139.23288	1.0
142.29036	0.9
143.08562	1.2
145.10117	1.7
147.11687	3.4
149.05954	4.2
149.09651	4.6
149.13257	18.8
151.11185	9.9
153.09129	3.3
158.10950	3.2
163.11133	1.7
163.14832	5.4
164.13002	1.0
165.12755	2.2
173.13263	12.1
177.05408	1.9
183.92622	1.1
191.14290	34.8
209.07985	2.3
209.11819	1.0
209.15355	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01863	0.9
55.05500	4.0
55.66206	0.8
57.03422	1.3
57.07072	7.5
67.05498	8.2
69.03084	1.2
69.03421	19.9
69.07059	6.3
69.49972	7.4
71.04948	0.9
79.05067	0.8
79.05467	5.5
81.03313	0.9
81.07056	10.2
83.04976	15.3
83.08607	3.1
83.28595	0.9
85.06532	7.3
90.84212	0.8
91.05468	5.6
93.07035	6.6
95.04944	3.4
95.08592	10.3
97.06509	1.8
97.10126	0.9
99.08031	1.1
105.07018	4.6
106.04135	1.1
107.08580	23.9
109.06501	10.7
109.10127	3.6
111.04494	1.0
111.08072	7.5
117.07004	1.4
119.08560	5.4
121.06462	3.7
121.10123	13.2
123.08021	4.0
123.11712	5.5
125.05986	1.6
125.09610	60.0
131.08549	8.2
131.92358	0.8
133.10110	8.8
134.07231	0.9
135.08031	16.9
135.08983	1.4
135.11646	5.7
137.09569	1.1
137.13237	1.1
139.07446	1.0
139.60649	0.9
143.08539	1.8
144.09297	1.3
145.10088	3.8
147.11661	3.6
149.05945	2.3
149.09583	10.8
149.13237	6.6
150.10391	2.3
151.11162	5.2
153.09091	15.5
158.10892	3.5
159.52499	0.9
161.09578	1.4
163.11183	3.6
163.14796	5.3
165.12741	11.1
173.13249	24.6
173.21619	0.9
176.11951	1.9
191.14279	100.0
192.14613	1.4
209.15338	91.1
210.15634	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
53.03986	1.3
54.86706	0.7
55.01648	1.2
55.01933	8.9
55.05573	4.8
57.03470	1.4
57.07125	2.0
59.05037	0.8
65.04012	2.1
67.05569	5.5
69.03496	4.3
69.07135	8.5
70.88274	2.5
71.05057	3.1
75.04534	1.0
78.04772	1.3
79.05491	7.3
81.03452	1.8
81.07056	7.8
83.04979	3.7
83.08689	2.5
85.02976	2.1
85.06593	1.8
89.03979	1.7
91.05468	13.3
93.03498	2.7
93.07034	19.6
95.04960	7.8
95.08595	10.4
97.06519	3.9
99.04538	2.1
99.08146	1.1
103.05447	4.5
105.07020	8.6
106.04158	9.2
107.05009	3.0
107.08583	24.9
109.06505	18.4
109.10147	4.4
111.04475	0.9
111.08150	2.1
115.05489	0.9
117.06985	4.6
119.08550	9.1
121.06497	19.9
121.10135	11.5
123.08066	7.4
123.08800	0.6
123.11710	1.2
125.05967	4.1
125.09680	2.0
125.58715	0.7
128.17276	0.8
129.07076	0.8
131.04948	1.7
131.08566	10.4
133.10135	9.9
134.03656	2.3
135.04492	1.3
135.08044	14.0
135.11661	7.5
137.06006	2.6
137.09676	2.9
139.07623	1.5
143.08505	1.1
145.02927	1.1
145.06476	0.9
145.10103	10.6
147.08084	3.1
147.10493	1.4
147.11673	29.6
148.05220	2.2
149.05969	16.2
149.07051	0.9
149.09604	13.2
149.13242	15.8
151.07526	0.9
151.11227	3.5
153.05490	1.5
153.09103	4.7
158.10948	2.5
161.09639	1.3
163.03827	1.1
163.07558	1.4
163.11153	9.0
163.14819	3.6
165.12787	1.3
166.06352	1.1
166.07774	1.4
167.14297	1.0
173.09595	1.8
173.13243	19.8
176.11969	2.9
177.05449	8.4
181.08583	4.1
181.10040	1.4
191.07011	2.2
191.10724	3.6
191.14285	100.0
192.14642	2.2
194.05641	1.8
209.06189	1.5
209.08017	8.7
209.09653	1.9
209.11430	1.6
209.15323	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.0
55.01858	5.4
55.05506	12.1
57.03416	2.7
57.07062	3.1
59.04972	2.7
65.03941	2.2
67.05501	9.3
69.03423	9.1
69.07055	18.5
70.88088	4.4
71.04974	12.6
77.19115	1.4
79.05480	7.6
81.07040	20.2
83.01319	6.1
83.04970	17.1
83.08601	6.5
84.05419	1.5
85.02882	2.0
85.06513	6.9
91.05448	11.6
93.03365	3.8
93.07028	25.9
95.04943	9.5
95.08591	39.7
97.06519	15.9
97.10171	2.3
99.04440	6.5
99.08065	19.2
99.10562	1.6
101.06004	2.9
105.07013	15.1
106.04149	6.4
107.04902	3.9
107.08578	51.9
109.06506	14.1
109.10136	22.8
111.08073	8.9
113.06020	1.6
117.07006	2.8
119.08549	7.9
121.06480	19.7
121.10119	42.7
123.08059	11.9
123.11686	7.8
125.05967	4.8
125.09609	16.9
129.41628	1.5
131.08530	12.8
133.10103	31.4
135.08028	21.5
135.11653	10.7
137.09576	5.2
139.07518	8.8
139.11197	9.1
143.08530	3.5
145.10092	5.5
147.11652	13.5
149.06001	9.6
149.09596	50.8
149.13205	22.3
151.11154	100.0
153.09068	11.5
158.10863	6.5
163.11162	2.3
163.14806	21.0
167.10635	2.6
169.88841	1.6
173.13235	33.2
177.05444	6.0
181.08556	3.9
181.15857	1.7
191.14278	87.9
209.08078	3.9
209.15327	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.48243	1.3
53.03933	1.8
55.01852	4.6
55.05502	14.6
57.03438	8.1
57.07072	7.0
59.05001	3.8
62.25091	1.2
65.03938	2.7
67.05491	14.0
69.03423	11.5
69.07059	11.2
70.95238	4.3
71.04985	14.3
79.05484	10.9
81.03395	3.9
81.07053	25.4
83.04971	14.0
83.08614	9.0
85.06525	6.1
91.05466	14.6
93.03420	2.0
93.07030	21.6
95.04346	2.8
95.04958	55.4
95.08592	20.6
97.06523	22.2
97.10162	2.3
98.21407	1.3
99.04443	17.9
99.08091	2.9
103.05421	3.7
105.07024	18.6
106.04151	6.4
107.04936	1.8
107.07855	1.9
107.08578	36.6
109.06506	71.0
109.10133	18.4
111.04412	2.0
111.08066	14.3
113.09612	2.2
115.05425	1.5
115.07578	1.7
117.07022	2.4
119.08586	9.3
121.06506	12.2
121.10123	31.6
123.08058	13.7
123.11672	8.3
125.05943	3.2
125.09615	30.8
125.10523	1.5
131.08549	14.8
133.10120	50.0
135.08043	18.1
135.11684	9.6
137.06018	3.3
137.09631	2.2
139.07504	2.8
139.11162	3.3
143.08485	2.2
144.09314	1.9
145.10092	10.6
147.11693	11.3
149.05972	9.8
149.09613	15.5
149.13235	14.7
151.11176	16.3
153.09082	45.2
158.10876	4.3
163.07520	2.9
163.11176	4.4
163.14804	8.2
165.12738	29.3
167.14278	4.6
173.13254	29.7
177.05441	7.7
181.08575	2.4
184.33507	1.4
191.14287	91.6
209.08000	10.6
209.09854	2.6
209.15350	100.0
210.15529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.62540	0.9
55.01865	1.5
55.05500	5.2
57.07062	2.2
59.04986	2.3
61.73746	0.9
62.25486	1.0
64.16637	0.8
65.03929	1.0
67.05503	6.7
69.03418	10.2
69.07063	14.3
71.04986	7.1
71.06625	2.4
73.19789	0.8
74.17857	0.8
79.05482	6.3
81.03418	1.1
81.07043	12.3
83.04977	12.4
83.08590	6.0
85.02901	1.1
91.05472	4.3
93.07030	10.6
95.04971	7.8
95.08594	25.9
96.05998	0.9
97.06539	6.5
98.21268	0.9
99.08067	5.4
103.05444	1.1
105.07013	8.1
106.04180	2.0
107.08581	38.0
108.20093	0.9
109.06525	9.2
109.10154	15.6
111.08067	3.6
113.09646	1.2
117.06982	1.2
119.08566	5.1
121.06496	7.4
121.10131	37.0
123.08067	6.9
123.11681	4.9
125.05987	1.3
125.09608	12.3
131.08556	5.5
133.10118	14.0
134.69168	1.2
135.08029	12.1
135.11671	6.8
137.09610	4.2
139.07542	1.0
139.11168	4.3
145.10114	2.5
147.11694	10.2
149.05989	3.6
149.09612	11.9
149.13242	23.2
149.14348	1.8
151.11165	100.0
152.11617	1.4
153.09105	4.0
158.10927	3.0
163.11151	1.3
163.14799	10.0
165.12740	8.3
167.10648	1.4
167.14224	1.1
173.13260	16.0
177.05505	1.4
181.08530	1.8
191.14290	51.1
209.08147	2.2
209.11752	1.5
209.15341	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01849	1.7
55.05500	5.4
57.07077	6.5
59.04977	1.1
65.03931	1.0
67.05501	8.5
69.03070	1.3
69.03419	18.8
69.07059	5.0
69.49674	3.7
69.50104	3.5
71.04958	1.3
71.10867	0.8
75.78409	0.9
79.05476	5.6
79.54868	0.9
81.07048	10.3
83.04976	17.6
83.08605	2.0
85.06537	6.3
85.13483	1.1
91.05466	5.2
93.07030	7.9
95.04943	3.0
95.08595	10.5
97.06498	3.0
98.20637	1.3
99.04469	0.9
99.08070	1.1
105.07021	6.0
106.04169	2.2
107.08585	24.8
109.06504	11.1
109.10151	4.6
111.04465	1.2
111.08069	6.7
117.07007	1.3
119.08558	4.8
121.06487	4.3
121.10130	12.1
123.08051	5.0
123.11655	4.2
125.09615	59.1
126.99252	1.0
129.06964	1.2
131.08519	8.5
133.10112	9.3
135.08041	17.4
135.11671	7.7
137.09569	1.3
143.31296	0.9
145.10117	3.7
147.11635	4.4
149.05974	4.4
149.09598	9.3
149.13246	8.0
150.10399	1.8
151.11133	4.8
153.09068	16.3
154.28366	1.1
158.10893	3.9
161.09618	0.9
163.11159	5.2
163.14783	5.2
165.12726	9.4
173.13260	23.7
176.11929	2.1
177.05434	2.2
191.14287	100.0
192.14705	1.1
209.15346	98.5
210.15733	1.3
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
53.03941	2.5
55.01862	2.8
55.05506	2.4
57.07064	1.7
59.04985	1.0
65.03932	1.4
67.05499	5.2
67.48576	0.6
69.03417	10.8
69.03757	0.9
69.07058	5.0
69.91186	0.5
70.35232	0.6
70.67971	1.1
70.68352	1.2
71.04987	2.8
76.28522	0.5
78.04691	1.1
79.05467	3.6
81.03403	11.1
81.07045	10.2
83.04970	4.2
83.08600	2.2
85.02892	1.0
89.03893	1.0
91.05466	7.1
93.03397	1.7
93.07027	6.8
95.04957	9.6
95.08588	8.2
97.06520	2.5
99.08074	2.4
103.05460	2.6
105.07024	6.7
106.04169	5.4
107.04935	1.8
107.08580	11.3
109.06504	12.0
109.10137	3.0
111.08071	1.7
119.04935	1.0
119.08572	6.2
121.06487	8.7
121.10124	14.6
123.08036	11.1
123.11694	7.0
125.05970	2.1
125.09596	1.4
131.08542	1.5
133.10031	2.9
134.03629	0.8
135.08018	2.9
135.11687	2.0
137.05991	1.1
137.09595	2.8
137.13220	1.8
139.07536	1.1
143.08556	0.6
145.10100	2.8
147.04359	0.6
147.11632	3.8
147.12630	0.6
148.05197	0.7
149.05959	9.6
149.09589	12.5
149.13240	9.2
151.07512	0.8
151.11156	6.3
153.05457	1.2
153.09094	2.6
163.07565	1.5
163.11142	2.5
163.14784	1.4
165.12726	100.0
166.06244	1.0
166.13092	0.7
173.09752	0.6
173.13232	3.2
177.05449	5.4
177.09186	0.6
178.09853	1.7
179.07054	1.1
180.85548	0.6
181.08626	4.3
191.07018	1.3
191.10597	2.0
191.14264	3.8
194.09381	2.1
209.08086	4.2
209.12061	5.8
209.15327	58.9
210.15637	0.7
218.10146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	0.7
55.01866	3.1
55.05489	2.4
57.03426	0.8
57.06842	0.6
57.07071	5.3
59.04993	0.8
62.74387	0.5
67.05498	5.0
69.03427	2.9
69.07066	3.7
69.75705	2.2
69.76133	1.2
71.04989	4.0
75.04488	0.8
78.04703	0.5
79.05486	5.2
81.03387	0.9
81.07046	7.9
83.04965	2.4
83.08598	1.6
85.06516	1.1
91.05463	6.6
93.03384	1.1
93.07030	7.8
95.04961	5.9
95.08599	8.4
97.06523	2.1
99.04440	1.2
99.08058	0.9
103.05468	1.6
105.07012	5.0
106.04167	3.1
107.04923	1.1
107.08584	11.7
109.06506	100.0
109.10143	12.1
110.06828	0.9
111.08071	1.8
115.05426	0.8
117.07038	1.5
119.08566	3.1
121.06492	5.2
121.10137	8.7
123.08047	10.3
123.11708	1.4
125.06003	1.3
125.09624	2.7
130.66496	0.5
131.04922	0.6
131.08554	6.6
133.10109	9.8
134.03642	0.7
135.08043	28.1
135.11682	2.4
136.08842	0.6
137.05927	0.7
137.09616	5.7
139.07521	0.8
139.11203	1.7
143.08568	0.8
145.02872	0.6
145.10094	2.6
147.08063	0.7
147.11725	3.0
148.08763	1.0
149.05963	6.0
149.09601	5.3
149.13252	4.1
150.10400	1.4
151.11168	16.7
152.95412	0.5
153.05431	0.7
153.09100	5.7
158.10924	1.5
161.09615	0.6
163.11150	1.1
163.14796	2.4
165.12706	2.4
173.13245	8.5
176.11903	0.8
177.05452	3.6
181.08557	1.3
191.07143	0.7
191.14290	30.1
192.14745	0.5
209.08067	2.4
209.09789	1.0
209.15338	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.17446	1.0
53.03922	3.2
55.01865	14.4
55.05509	15.0
57.03432	10.2
57.07077	6.2
59.04993	2.3
60.63941	1.2
65.03918	3.9
67.05496	19.3
67.89021	1.0
69.03425	6.2
69.06714	1.7
69.07060	25.5
69.52296	5.1
69.52730	4.8
71.04986	55.8
75.04464	2.8
78.04684	3.3
78.43268	1.1
79.05485	15.8
81.03410	1.4
81.06579	1.8
81.07050	30.6
83.04974	15.0
83.08610	9.6
85.02891	2.5
85.06510	3.9
89.03906	2.3
91.05468	27.2
92.05790	1.0
93.03405	7.7
93.07034	43.3
95.04967	21.0
95.08596	51.0
97.06525	24.9
97.10134	2.1
98.21459	1.6
99.04448	9.5
99.08065	6.3
103.05463	8.6
105.06370	1.9
105.07013	26.6
106.04163	23.7
107.04942	4.6
107.08584	80.5
108.08869	1.2
109.05779	2.2
109.06506	35.7
109.09444	1.7
109.10142	25.2
110.03620	1.0
111.04416	2.1
111.08070	31.4
113.09640	12.3
117.03384	1.8
117.07005	4.7
119.04935	1.6
119.08585	21.2
121.06498	31.0
121.10130	65.8
123.04413	2.2
123.07185	1.7
123.08060	33.4
123.11683	10.5
125.05995	8.0
125.09634	5.8
129.06958	1.5
130.07738	2.2
131.04877	3.0
131.08565	20.7
133.10118	65.2
134.03651	5.2
135.04388	2.6
135.08040	53.7
135.11670	50.8
135.93948	1.1
137.05937	2.1
137.09608	8.0
138.06700	1.8
138.10381	15.1
139.07498	3.6
139.11154	18.6
140.08260	1.8
143.08528	4.1
144.09322	1.4
145.02805	4.2
145.10117	20.9
147.11670	26.0
148.05139	3.8
149.05978	30.7
149.09599	72.5
149.13248	29.0
151.07516	1.9
151.09952	1.6
151.11169	33.1
153.05466	2.7
153.09067	12.0
158.10878	7.2
161.09659	6.8
163.03899	1.3
163.07481	1.8
163.11172	10.8
163.14810	30.7
165.12709	6.4
166.06355	1.7
166.07759	2.4
167.06894	1.6
167.10599	2.9
167.14258	3.6
173.09679	2.1
173.13246	49.1
176.11940	6.2
177.05444	20.2
180.07726	1.2
181.08554	7.7
181.10040	2.3
186.99277	1.4
191.07011	4.4
191.10588	4.6
191.14288	100.0
191.98163	1.1
192.14648	2.7
194.05754	1.5
209.04536	1.7
209.06569	1.2
209.08067	12.3
209.09673	2.8
209.11589	4.5
209.13367	3.4
209.15327	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01858	2.3
55.05500	6.1
57.03413	1.6
57.07067	4.4
57.92885	0.8
58.33268	0.8
59.04988	1.7
65.03918	0.9
67.05230	0.7
67.05499	8.8
67.64181	0.7
69.03070	1.2
69.03418	17.8
69.07064	7.4
70.60473	1.8
70.60870	2.0
71.04993	3.8
71.05317	0.8
79.05482	7.1
79.31535	0.8
81.03410	10.3
81.07046	17.9
83.04971	9.1
83.08596	3.0
85.06519	3.6
91.05465	7.1
93.03371	1.2
93.07028	13.7
95.04958	14.4
95.08597	12.6
97.06512	4.1
99.04446	2.6
99.08099	3.9
103.05443	1.3
105.07011	12.4
106.04156	2.2
107.04975	1.2
107.08576	28.5
108.05637	0.9
109.06503	21.3
109.10154	6.7
110.07291	0.8
111.08073	4.1
117.07023	1.0
119.08562	8.2
121.06487	8.3
121.10123	21.4
122.07288	0.9
123.08060	14.5
123.11686	8.6
125.09618	17.3
129.97299	0.9
131.08565	3.9
133.10121	8.6
134.03575	0.8
135.08034	8.9
135.11705	6.3
135.22282	0.7
137.05974	0.9
137.09599	5.3
137.13216	2.4
139.07495	0.8
143.08478	1.0
145.02808	0.9
145.10104	6.9
147.11681	6.1
149.06007	5.4
149.09602	16.3
149.13239	10.9
151.11179	9.5
153.09073	6.7
158.10895	1.3
163.11180	9.7
163.14796	3.4
165.12730	100.0
166.12997	1.0
167.14278	1.2
173.13245	9.0
177.05478	2.8
181.08591	1.3
191.10666	2.7
191.14285	33.4
203.46291	0.9
209.08043	2.9
209.11858	2.6
209.15341	90.1
210.15767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.17060	0.6
53.03935	1.3
55.01861	2.1
55.05508	6.1
56.96550	2.3
57.03421	1.7
57.07058	1.6
59.04977	1.0
65.03947	0.8
67.05492	8.4
68.99795	0.7
69.03416	3.2
69.07058	5.1
69.42818	5.0
71.04982	2.3
76.07397	0.5
78.04693	2.5
79.05482	6.4
81.03412	10.1
81.07050	9.9
83.04966	7.3
83.08620	5.3
84.96024	0.6
85.02892	0.7
85.06528	3.2
88.79935	0.6
90.14029	0.6
91.04953	0.9
91.05467	11.1
93.07030	8.7
95.04958	9.1
95.08585	9.2
97.06531	1.8
97.10151	1.4
98.20683	1.2
99.04428	1.2
99.08047	1.5
103.05432	3.8
105.03364	0.6
105.07009	6.1
106.04162	1.7
107.04951	1.2
107.08575	5.9
109.02866	0.9
109.06501	3.4
109.10146	14.2
109.10891	0.8
111.04411	1.0
111.08076	3.6
116.00211	1.8
116.98702	0.6
117.06966	0.7
119.04939	1.8
119.08566	6.7
120.46677	0.6
121.06487	8.6
121.10137	3.0
122.03635	0.9
123.04423	19.4
123.08032	4.4
123.11674	3.0
124.05177	2.9
125.09640	1.6
127.03893	2.7
129.06992	1.8
129.10014	0.6
131.08554	1.3
133.06474	3.3
133.10121	5.3
135.07944	0.7
135.11687	7.3
137.05905	3.3
137.09631	3.8
139.03864	4.7
140.43225	0.6
147.04382	1.1
147.08031	0.9
147.10579	0.6
147.11667	4.0
149.05960	14.0
149.09575	1.2
149.13222	0.9
151.03889	9.4
151.07518	3.2
151.11183	1.3
151.14786	0.9
152.04660	2.0
153.05458	0.6
153.06931	1.4
153.12819	0.6
155.03372	21.6
155.08540	2.3
157.10071	1.1
161.05959	1.8
165.05453	1.1
165.06967	0.7
165.09132	0.8
165.12753	1.2
165.16370	0.7
166.06223	3.1
167.07022	100.0
168.07388	1.7
169.04968	1.7
169.10188	0.9
175.11169	2.6
175.14813	4.3
179.07027	10.4
180.07748	1.1
181.08585	15.2
181.10143	1.5
183.08070	0.7
183.11684	1.0
193.08574	6.3
193.10356	1.0
193.12227	6.3
193.15880	3.8
199.51831	0.5
203.81079	0.6
207.60127	0.6
208.51385	0.6
211.07536	6.5
211.09642	23.6
211.13202	2.3
211.14882	1.6
211.16875	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01869	0.7
55.05505	22.9
56.04409	0.2
56.96557	1.5
57.03431	0.4
57.07067	0.5
66.88270	0.2
67.05500	1.5
69.03429	0.4
69.07058	0.7
71.04971	0.5
71.39910	0.2
71.63206	0.3
73.24827	0.2
79.05487	0.7
81.03418	2.0
81.07043	1.4
83.04973	100.0
83.08614	1.1
84.05312	0.7
85.06516	0.3
85.35062	0.2
91.05491	1.3
93.07050	0.6
95.04965	1.0
95.08604	1.2
97.06546	0.5
101.06014	0.5
101.72822	0.2
104.02190	0.2
105.07041	0.8
107.04923	0.3
107.08586	0.4
109.06495	0.5
109.10144	0.6
111.04432	22.1
111.08055	0.3
115.05472	0.3
116.00247	0.4
119.08578	0.9
119.40858	0.3
121.10115	0.4
123.08057	0.3
125.46702	0.3
129.05476	1.3
129.07016	0.5
131.08578	0.3
133.10152	0.9
135.11703	0.4
135.20235	0.2
137.09656	0.4
147.11664	0.6
155.08568	1.0
157.10143	0.5
167.07152	0.3
169.10115	0.4
175.11159	0.4
175.14928	0.5
179.07021	0.2
181.10120	0.7
183.08084	0.2
193.12251	1.2
196.12459	0.3
211.07558	2.6
211.09674	6.6
211.14801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03948	1.0
55.01865	1.2
55.05504	2.0
57.03437	0.6
65.03937	0.6
67.05499	2.9
68.99785	1.0
69.03419	1.2
69.07066	1.6
69.31889	4.1
71.04984	1.0
73.34563	0.5
79.05479	4.5
81.03407	2.4
81.07050	4.3
82.91576	0.4
83.04944	1.8
83.08610	0.9
85.06504	0.6
91.05470	6.9
93.03438	0.4
93.07035	5.0
95.04957	5.3
95.08591	4.6
97.06511	0.5
98.20836	1.2
98.21533	0.6
99.08086	0.6
103.05463	2.9
105.07011	7.1
107.04929	1.1
107.08594	3.4
108.05709	0.4
109.02868	0.9
109.06496	0.9
109.10137	2.6
110.03652	2.1
111.04407	1.2
111.08094	0.9
115.05421	0.9
118.04159	1.4
119.04938	5.1
119.08570	1.9
121.02879	0.7
121.06487	2.3
121.10146	1.4
123.04414	41.9
123.08036	3.3
123.11695	1.1
125.09612	1.0
129.70032	0.4
133.06473	4.0
133.10094	1.5
135.04379	0.8
135.11668	4.4
136.05106	0.8
137.05942	1.9
137.09651	0.7
137.13168	0.4
141.05508	0.4
147.04384	3.9
147.11673	0.6
149.05978	2.8
149.13251	0.8
150.06738	2.0
151.03920	2.8
151.07523	24.5
152.07881	0.4
153.12735	0.4
155.01630	0.4
157.10117	0.7
161.05920	0.8
161.07072	1.1
163.14796	5.5
164.04665	0.4
165.05573	0.4
165.09135	2.2
167.07019	9.2
167.53583	0.4
175.11224	0.6
175.14827	1.8
178.06238	0.5
179.07011	100.0
180.07408	2.0
181.08591	1.8
181.16017	0.4
183.08005	0.5
193.08601	5.6
193.12216	1.1
193.15979	0.5
211.07686	0.9
211.09618	16.4
211.12926	0.7
211.16875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03934	1.5
55.01871	1.5
55.05508	10.9
56.96554	3.2
57.03428	7.5
57.07076	4.8
59.04987	3.3
65.03918	4.3
66.01195	1.1
67.05499	49.4
68.99784	4.7
69.03404	4.0
69.07063	8.3
69.59275	4.1
69.59703	3.2
71.04988	11.8
75.01304	0.8
76.36164	1.1
78.04691	2.2
79.05490	10.4
81.03410	10.8
81.07053	25.6
83.04602	0.8
83.04967	8.5
83.08617	6.6
85.02863	1.3
85.06535	88.2
91.05474	12.1
93.07047	15.1
95.04954	8.8
95.08033	1.4
95.08595	16.4
97.02850	1.3
97.06519	7.7
97.10148	1.9
99.04428	2.9
99.08073	7.3
99.15700	1.1
103.05461	4.6
105.07030	11.4
107.04939	1.4
107.08572	13.2
109.02816	1.4
109.05779	1.8
109.06512	36.0
109.10147	12.1
111.04408	1.6
111.08041	3.9
115.05460	0.9
115.07574	4.5
117.06992	1.5
119.04916	2.4
119.08568	12.1
121.06504	10.2
121.10141	9.4
123.04417	52.9
123.08049	16.4
123.11690	18.9
124.05173	1.8
125.09625	9.5
127.03911	11.5
127.07545	42.0
129.06956	3.1
131.08528	2.0
133.06461	3.3
133.10101	10.7
135.11684	22.1
137.02345	1.6
137.05957	7.5
137.09605	5.8
137.13286	1.5
139.03888	9.1
141.12665	1.9
147.04366	2.8
147.08023	2.4
147.11641	3.8
149.04883	1.7
149.05963	17.3
149.13200	3.2
151.03873	7.3
151.07530	12.6
151.11107	1.2
152.04535	1.0
153.05400	2.9
153.12741	4.6
155.03389	12.8
155.08527	2.3
155.10664	2.9
157.10139	1.9
161.05956	2.1
163.03908	1.7
164.04654	5.2
165.05482	8.2
165.09090	18.7
166.06229	2.8
167.07022	87.6
168.07422	1.9
169.08588	6.2
169.09840	1.1
175.07506	9.5
175.11153	2.6
175.14813	13.3
179.07021	13.9
181.08604	11.5
193.04959	6.3
193.08591	100.0
193.12170	7.1
193.15819	7.6
194.08846	1.9
199.68915	0.9
211.07640	3.7
211.09607	62.0
211.13074	2.5
211.15088	1.3
211.16898	27.0
212.09981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.02357	0.5
53.03935	3.4
55.01867	5.0
55.05500	36.6
56.96551	0.8
57.03430	7.5
57.07078	0.7
59.04993	1.6
65.03925	1.8
67.05492	27.3
69.03413	9.6
69.07056	9.9
69.57861	1.7
69.58282	1.6
71.01349	0.5
71.04976	5.7
73.02888	0.6
73.06566	0.5
77.03934	0.5
78.04688	0.4
79.05479	29.7
81.03403	100.0
81.07042	36.5
82.03725	0.6
82.07355	0.6
83.04965	49.9
83.08601	35.7
85.02888	1.3
85.06522	3.6
87.04445	0.8
91.05461	33.4
93.07027	18.5
95.04950	34.0
95.08588	15.7
97.02876	4.1
97.06508	4.6
97.10151	7.9
99.04416	1.0
99.08074	3.0
101.09636	0.6
103.05466	0.6
105.04499	0.7
105.07008	23.7
107.04936	7.4
107.08576	9.5
109.06510	5.6
109.10132	5.8
111.04433	1.8
111.05554	0.5
111.08060	14.2
113.05980	0.9
115.05448	1.8
117.06993	1.5
117.17232	0.5
119.04939	1.1
119.08559	22.0
121.06465	2.1
121.10120	9.8
123.04385	2.7
123.08041	5.2
123.11672	2.2
125.09584	3.4
127.07569	0.8
128.06136	1.2
129.06976	11.1
131.08540	14.2
133.06458	4.0
133.10103	12.9
135.11664	2.5
137.05927	0.4
137.09586	4.4
137.13228	0.6
139.03876	0.8
141.06940	0.5
142.07719	3.1
145.10103	1.6
147.08014	4.7
147.11656	16.8
149.05972	0.5
149.09596	8.1
149.13257	0.8
151.03903	0.6
151.07486	1.2
151.11151	1.0
155.08505	0.6
157.10101	15.8
163.11162	1.0
165.09097	0.4
165.12749	3.7
167.07016	20.2
175.11157	21.9
175.14774	1.9
179.06987	4.1
181.08601	1.3
193.12209	55.8
193.15848	1.7
194.12617	0.5
211.07648	0.8
211.09627	1.8
211.13239	27.7
211.16869	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.43748	0.8
50.87934	0.8
53.03937	3.8
55.01863	5.0
55.05506	34.1
56.68361	0.7
57.03432	8.3
65.03925	1.2
65.94427	0.8
67.05498	28.3
69.03422	9.6
69.07066	9.8
70.41495	2.8
71.01318	0.9
71.04977	5.4
79.05486	28.0
79.05951	1.4
81.03410	100.0
81.07049	33.5
83.04974	47.3
83.08610	36.0
85.02872	0.9
85.06535	4.1
91.05474	28.6
93.07037	18.0
95.04960	34.8
95.08595	12.5
97.02872	3.3
97.06507	3.4
97.10152	7.5
98.21403	0.9
99.08080	2.7
101.13530	0.8
105.07022	21.9
107.04949	8.2
107.08578	9.5
109.06516	7.6
109.10128	3.8
111.04424	3.4
111.08068	16.8
115.05457	2.0
119.04913	0.9
119.08568	20.7
121.06487	2.0
121.10138	8.0
123.04424	1.4
123.08060	3.7
123.11700	2.1
125.09602	2.4
129.06990	11.9
131.08553	12.6
133.06496	3.7
133.10124	14.3
135.11729	1.0
137.09584	1.1
142.07776	3.1
145.10136	1.9
147.08081	3.7
147.10637	1.1
147.11678	14.4
149.09616	8.2
157.10104	18.0
163.11140	1.2
165.12755	3.4
167.07005	6.1
175.11172	23.7
179.07059	1.1
193.12227	56.0
199.52425	0.8
209.69951	0.7
211.13266	32.0
211.15265	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.29340	1.0
53.03930	4.5
55.01871	5.5
55.05504	36.5
56.96548	1.5
57.03432	7.6
59.04993	1.3
67.05495	28.6
69.03418	11.0
69.07064	12.8
70.74021	2.7
71.04961	5.6
79.05048	2.1
79.05480	28.8
81.03409	100.0
81.06573	2.1
81.07049	41.6
83.04973	55.5
83.08606	38.9
85.02872	2.1
85.06510	3.9
89.28103	1.2
91.05468	32.7
93.07031	17.0
95.04957	41.2
95.08591	12.8
97.02883	2.6
97.06502	4.9
97.10156	9.2
105.07018	23.1
107.04943	5.3
107.08578	9.0
109.06489	4.3
109.10142	3.2
111.04422	2.5
111.08058	14.1
117.06992	1.5
119.04891	1.5
119.08563	21.6
121.06485	2.5
121.10134	10.5
123.04466	1.5
123.08025	3.2
123.11706	1.9
125.09609	2.6
129.06998	11.8
131.08556	13.2
133.06441	3.6
133.10104	12.7
135.11659	1.2
137.09631	3.0
137.13205	1.4
142.07738	3.0
147.07990	3.7
147.11662	16.3
149.09596	7.5
151.11166	1.8
157.10117	19.6
165.12749	3.8
167.07014	5.3
170.67113	1.3
175.11157	23.7
179.07071	2.3
193.12218	61.7
211.11261	2.6
211.13251	31.5
211.16586	1.6
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	Libanotic acid
Peak:m/z	Relative Intensity
53.03928	4.1
55.01846	5.2
55.05508	42.7
56.96562	9.6
57.03423	7.4
57.07059	2.9
59.04993	2.3
65.03931	1.3
67.05497	34.7
69.03423	12.0
69.07070	9.8
71.04984	6.2
71.63730	1.7
79.05481	29.5
81.03410	100.0
81.07048	38.0
83.04976	62.6
83.08613	33.7
84.96012	2.6
85.06536	3.2
87.04424	1.6
91.05466	31.9
93.07027	21.4
95.04347	2.1
95.04961	35.7
95.08592	13.6
97.02872	3.3
97.06499	4.4
97.10183	8.4
99.04453	1.5
99.08089	3.6
105.07016	27.1
107.04926	7.3
107.08586	9.0
109.06490	7.4
109.10139	7.2
111.04440	6.6
111.08071	15.7
112.55305	1.0
113.05978	1.4
115.05426	3.1
116.00200	2.1
117.06989	1.3
119.04939	1.1
119.08576	21.5
121.06480	1.8
121.10139	10.6
123.08053	2.5
123.11652	3.1
125.09583	1.6
128.06190	1.5
129.06985	12.8
130.09558	1.3
131.08556	14.1
133.06470	4.0
133.10127	15.2
135.11649	1.8
137.09615	3.1
141.06946	1.4
142.07738	3.1
145.10121	1.2
147.08031	3.3
147.11665	17.6
149.09599	8.4
151.11177	1.2
155.08546	2.4
157.10121	17.3
165.12723	4.8
169.10077	2.7
175.11188	19.6
175.14793	2.1
178.07823	1.2
181.98894	1.1
183.11461	2.2
189.75995	1.0
193.10405	2.8
193.12231	54.4
193.15913	2.4
211.07533	5.1
211.09421	1.4
211.11307	1.9
211.13171	24.4
211.14890	2.5
211.16380	1.3
215.03433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01866	2.0
55.05503	10.3
56.12772	0.9
56.96550	1.1
57.03421	1.7
57.07059	1.6
65.03929	1.1
67.05493	15.2
68.99796	1.0
69.03427	2.3
69.07055	7.1
71.04977	8.2
71.60975	1.2
79.05479	13.4
81.03415	4.6
81.07047	26.0
83.04968	5.9
83.08609	4.6
85.06540	3.4
91.05454	11.8
93.07031	31.0
95.04957	7.8
95.08591	32.3
97.06532	2.6
97.10155	2.0
98.97576	1.1
99.08073	6.0
103.05444	3.4
105.07013	15.7
107.04910	1.4
107.07847	2.2
107.08579	35.6
108.05704	1.2
109.02873	1.1
109.06491	2.8
109.10143	26.2
110.03680	1.2
111.04454	1.2
111.08053	3.8
119.04952	5.3
119.08565	15.2
121.02813	1.2
121.06506	2.6
121.10129	10.5
122.07169	0.9
123.04416	41.7
123.08079	3.5
123.11662	10.8
125.09629	3.0
133.06465	2.8
133.10107	10.6
135.11673	51.2
137.05946	2.8
137.09593	2.8
137.13249	2.5
147.04393	4.6
147.11650	3.2
149.05943	5.1
149.13235	6.2
150.06755	1.3
151.03894	2.8
151.06563	0.6
151.07527	27.4
151.11148	4.3
153.12730	3.7
163.14801	66.6
164.15126	1.6
165.09052	1.7
167.07025	13.9
167.14265	1.4
169.03221	1.1
169.10144	1.0
174.40427	1.2
175.11212	1.7
175.14815	21.0
175.43062	1.0
178.94038	1.0
179.07014	100.0
180.07414	2.9
181.08582	2.9
181.15843	4.8
183.07983	1.3
193.08578	4.7
193.10135	1.1
193.12219	1.7
193.15854	7.3
211.04167	1.2
211.07574	2.7
211.09578	16.4
211.11345	1.4
211.13098	1.2
211.16901	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05259	0.9
55.05506	13.4
57.03409	1.1
57.07063	3.7
59.04989	2.9
60.84485	0.8
67.05161	1.4
67.05500	20.7
69.03412	3.2
69.06724	1.1
69.07064	17.1
69.48981	7.5
71.04992	8.2
77.03938	1.0
79.05484	6.6
81.03418	1.3
81.07051	25.9
82.56282	0.8
83.04970	5.3
83.08610	10.6
84.42336	0.9
85.06548	5.0
91.05466	3.9
93.07040	12.9
95.04948	1.7
95.08599	100.0
96.08942	1.7
97.06503	3.7
97.10152	3.3
99.04468	2.6
99.08074	2.6
101.06022	2.7
105.07031	7.6
107.08587	22.9
109.06510	5.5
109.10146	48.0
111.08048	4.3
113.09654	1.6
115.07537	8.7
119.08569	16.6
121.10133	11.1
123.04382	1.6
123.08068	8.3
123.11714	13.2
125.09617	3.3
127.07549	0.9
133.10138	16.1
133.11092	1.8
135.11684	41.2
137.09595	13.3
139.11211	5.5
147.11674	3.1
149.13263	6.9
151.11197	5.0
151.14838	4.5
153.12717	2.4
163.14804	14.5
165.16360	3.3
167.07037	4.4
170.17174	0.8
175.14804	26.0
179.06999	3.7
181.15912	5.0
187.63876	0.9
193.08594	1.1
193.15869	24.9
194.16109	0.9
211.07404	1.2
211.16919	49.8
229.22498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08166	1.7
50.70858	1.7
55.01865	3.2
55.05504	17.9
57.03446	3.9
57.07059	5.3
59.04994	2.5
65.03965	1.9
67.05156	3.3
67.05495	37.2
69.03420	3.9
69.07061	17.6
69.95730	3.4
69.96140	6.8
71.04991	8.2
71.08622	2.4
79.05499	10.8
81.03403	6.3
81.07049	31.8
83.04982	15.7
83.08614	15.5
85.06541	6.6
91.05464	10.2
93.07042	24.1
95.04960	5.6
95.08595	69.6
97.06527	8.1
97.10155	4.5
98.21416	2.4
99.08067	3.5
105.07020	14.2
107.08586	27.4
109.06518	10.2
109.10144	93.0
111.08061	40.7
113.09612	2.0
115.07552	6.4
119.08567	43.5
121.06508	2.1
121.10125	23.0
122.07341	2.1
123.04472	9.1
123.08060	43.4
123.11686	16.4
125.09614	5.9
131.08539	3.9
133.10112	34.3
135.11688	47.2
137.09595	100.0
137.13272	3.7
138.10420	8.9
139.11172	3.4
147.11700	8.5
149.13260	12.0
151.07558	5.8
151.11189	7.0
151.14818	12.5
155.10612	2.1
163.11212	4.0
165.12735	8.2
165.16389	3.5
167.07039	14.6
175.11324	2.0
175.14809	55.6
179.07018	21.2
193.08626	2.9
193.12292	5.8
193.15886	61.1
201.43433	1.9
211.07590	2.8
211.16920	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	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05508	17.6
57.03421	3.5
57.07052	4.7
59.04978	4.7
62.03865	1.9
65.03950	2.7
67.05501	27.7
69.03423	13.9
69.07053	21.7
69.30066	2.4
71.04983	5.1
71.25329	4.3
79.05484	12.0
81.07050	30.3
83.04983	14.9
83.08610	10.2
85.06519	9.5
91.05466	9.2
93.07038	19.1
94.06544	2.6
95.04952	8.3
95.08597	51.8
97.06522	4.4
97.10145	7.4
99.08085	57.5
99.08731	3.3
105.07024	14.0
107.08577	39.0
109.06491	13.8
109.10147	100.0
111.08072	5.9
113.09611	3.4
119.06065	2.9
119.08572	34.6
121.10139	18.7
123.04415	8.0
123.08047	21.7
123.11693	13.1
125.09637	11.1
129.28030	2.6
133.10120	38.5
135.10660	4.1
135.11676	74.2
137.09610	26.8
138.10443	2.3
139.11198	2.7
147.11635	4.6
149.13237	9.8
151.07524	3.9
151.11160	8.1
151.14835	9.1
153.12685	3.4
165.12769	2.0
165.16335	5.7
167.07022	5.2
170.32751	2.0
175.14810	41.3
179.07002	14.4
193.15878	54.5
211.07497	6.7
211.16948	4.7
212.11832	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	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	1.2
55.05251	1.4
55.05502	13.6
57.03423	0.9
57.07056	3.6
59.04984	2.5
64.38342	0.9
67.05493	25.6
69.03416	8.7
69.07059	13.4
70.41547	1.3
70.41946	2.1
71.04987	3.8
73.21511	0.7
79.05474	4.6
79.05892	0.8
81.07049	23.2
81.36591	0.7
83.04969	11.7
83.08611	8.6
85.06541	4.4
87.08099	1.2
87.09657	0.8
91.05473	3.1
92.69437	0.7
93.07037	9.4
95.04950	2.9
95.08596	35.9
97.06535	1.5
97.10157	3.1
98.21544	1.0
99.08073	3.9
102.62637	0.7
105.07023	6.7
107.08580	23.0
107.26876	0.8
109.06509	12.8
109.10145	100.0
111.08070	4.2
113.09616	1.8
119.07787	1.6
119.08578	21.5
121.10135	11.9
123.08064	13.7
123.11699	8.6
125.09616	0.9
127.11134	1.3
133.10115	18.1
133.11082	1.4
135.11676	71.1
137.09595	18.1
139.11143	2.6
147.11664	1.9
149.13234	7.3
151.11180	12.3
151.14807	13.9
153.12747	3.1
153.47977	0.8
165.16379	3.7
175.14804	23.6
175.16260	1.7
179.07112	1.3
193.15862	20.7
193.17610	1.0
194.99734	0.8
198.93542	0.8
211.16959	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	2.0
53.40577	1.0
54.12258	1.1
55.01863	2.2
55.05505	23.4
55.93683	1.2
56.96566	8.0
57.03429	8.0
57.07063	5.6
59.04985	2.8
67.05497	34.8
67.51848	1.1
69.03422	3.9
69.07058	19.7
69.39690	4.3
69.40115	7.1
71.04994	8.9
71.08624	2.3
79.05482	12.2
81.03411	16.4
81.07046	42.0
83.04973	24.4
83.08606	18.8
85.06528	8.8
85.37004	1.1
85.38596	1.1
91.05474	11.7
92.90699	1.1
93.07031	26.3
95.04961	12.7
95.08598	60.3
97.06519	13.1
97.10181	6.9
97.99177	1.7
99.04458	2.3
99.08093	5.1
105.07023	14.3
107.08585	31.8
109.02907	1.3
109.06514	15.0
109.10144	98.3
110.10477	1.8
111.04400	1.3
111.08067	48.0
113.05991	2.2
113.09669	1.7
115.07569	1.0
116.00190	3.5
117.07018	1.3
119.08570	49.4
119.73556	1.1
121.06469	1.5
121.10133	30.4
122.07230	1.8
123.04443	4.5
123.08054	49.8
123.11694	24.6
125.09597	7.4
127.07558	2.7
127.11196	3.1
129.07013	2.3
131.08551	3.1
133.10121	43.9
135.11668	54.9
136.12083	1.4
137.05963	2.5
137.09604	100.0
137.13226	6.0
138.10423	9.3
139.11176	5.4
147.11670	13.2
149.05965	2.2
149.09641	2.1
149.13229	15.3
151.03935	1.9
151.11174	12.9
151.14818	11.3
153.12688	1.7
155.10597	1.9
157.10091	3.6
163.11169	2.9
163.97737	1.4
165.12737	15.6
165.16391	4.0
165.77858	1.3
167.07040	14.4
167.08450	1.8
169.10100	1.9
175.11389	2.1
175.14810	66.2
176.15141	1.9
179.07011	7.8
181.10136	1.6
183.11621	1.6
193.10374	1.3
193.12251	9.7
193.15854	44.6
194.12569	1.4
194.16225	2.1
196.12453	2.0
211.07539	3.8
211.09500	2.5
211.11407	2.1
211.13220	4.3
211.14862	5.6
211.16869	37.2
212.17212	2.0
216.84967	1.1
223.03256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05505	19.5
56.05833	2.0
57.03423	5.6
57.07056	5.2
67.05162	2.0
67.05496	24.2
69.03429	3.3
69.07060	15.6
71.04985	5.8
71.06358	2.0
71.06696	2.8
71.08613	1.7
79.05482	7.2
81.03427	1.7
81.06568	1.9
81.07047	30.5
83.04977	10.9
83.08601	13.0
85.06529	7.2
91.05467	5.9
93.07034	19.3
95.04965	3.9
95.08602	51.8
97.06516	7.1
97.10141	4.1
99.08076	5.3
100.11236	2.6
105.07036	10.0
107.04904	1.4
107.08583	31.7
109.06502	12.3
109.10144	100.0
111.08070	38.0
113.06026	2.0
113.09619	1.9
117.07014	1.5
119.08573	43.5
121.10139	26.5
123.04385	3.6
123.08056	40.8
123.11687	17.3
125.09647	7.4
127.07500	2.1
133.10115	39.7
135.08080	1.4
135.11681	58.5
137.09604	91.3
137.13210	4.6
138.10420	8.2
139.11130	3.6
147.11665	6.1
149.13234	16.7
151.11163	5.6
151.14819	12.3
153.12749	3.3
161.94688	1.5
163.11198	2.1
165.12767	9.5
165.16391	4.5
167.07030	43.0
175.13278	3.0
175.14807	61.9
176.15050	1.5
179.07021	2.9
183.15698	10.2
193.15866	40.5
209.86739	1.5
211.15094	2.6
211.16907	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	213.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01869	1.9
55.05504	20.3
56.96562	1.5
57.03429	1.2
57.07070	25.0
59.02350	0.7
67.05496	4.6
69.03420	3.9
69.07056	2.2
71.04984	2.8
71.06088	0.7
71.06403	1.3
77.86040	0.6
79.05489	3.0
81.07040	5.1
83.04974	100.0
83.08614	1.2
84.05302	1.2
85.02900	1.8
85.06528	3.3
88.07625	1.4
91.05469	3.3
93.07024	5.5
93.07471	0.6
95.04326	0.5
95.04953	2.7
95.08585	2.2
97.06510	1.0
105.07019	10.3
107.04962	1.6
107.08598	2.8
109.06490	0.7
109.10174	0.8
111.04428	23.9
112.04748	0.9
115.05462	1.6
117.07031	1.6
119.04903	1.2
119.08572	6.4
121.06525	1.6
121.10106	1.4
128.06203	11.8
129.06990	11.0
131.08568	6.2
135.11707	0.9
137.14229	0.7
141.06944	4.9
142.07771	11.3
143.08543	34.1
144.09286	0.8
145.06441	1.5
145.10136	2.6
148.97362	1.1
149.13242	1.5
153.06981	3.2
154.07779	1.8
155.08537	19.9
156.09340	7.1
157.06503	5.1
157.10117	25.3
158.07291	1.1
159.08023	3.4
159.11655	3.7
165.06982	22.7
166.07773	1.0
167.07143	1.0
167.08522	6.1
168.09274	0.8
169.06404	0.6
169.10112	8.5
170.10887	6.5
171.08047	12.3
171.11670	10.3
172.08781	0.9
179.08516	3.1
180.09326	24.0
183.08076	2.9
183.11697	2.1
184.08884	1.1
185.09712	3.8
185.13246	31.5
193.10115	1.0
195.11681	55.7
196.12018	0.9
198.10371	6.1
213.05487	2.0
213.09270	1.9
213.12762	82.8
213.16344	7.3
214.13094	1.0
233.02684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35537	0.3
53.03935	0.8
53.16854	0.3
55.01858	1.6
55.05501	0.8
55.64140	0.3
56.96553	0.2
57.03431	0.7
57.07062	0.7
65.03918	0.5
67.05490	1.0
69.03421	1.3
69.07049	0.9
70.06595	0.5
71.04980	0.5
71.62968	0.4
72.08149	0.4
77.03905	0.4
78.04695	2.0
79.05480	8.6
81.03406	0.5
81.07041	1.3
83.04950	0.4
85.02899	0.4
86.84461	0.3
88.07646	0.5
90.94821	0.3
91.05470	4.9
93.07030	1.5
95.04958	3.6
95.08604	0.6
97.06544	0.3
97.10132	0.4
98.97559	0.7
99.08043	0.3
103.04775	0.6
103.05453	8.0
105.03391	0.4
105.07021	6.8
106.04131	1.3
107.04942	54.5
107.08562	1.4
108.05264	0.4
109.02853	0.4
109.06515	0.7
110.03648	0.5
111.04419	0.7
111.08025	0.3
115.05450	3.5
116.98624	0.7
117.06994	2.0
119.04926	0.6
119.08538	1.8
120.05695	1.8
120.06441	0.4
121.06476	1.2
121.10123	0.5
122.03663	0.4
123.04417	5.7
123.11643	0.3
124.05193	3.5
125.05979	1.8
125.09666	0.3
128.06190	2.1
129.06978	2.1
131.04918	2.4
131.08514	1.6
133.02827	0.3
133.06485	1.2
134.03619	0.5
134.99664	0.3
135.04416	0.6
135.08035	15.6
137.05939	1.1
139.03847	0.6
139.07510	0.4
139.62286	0.2
141.06982	0.8
142.07773	2.1
143.08548	7.2
145.06537	0.7
145.07608	1.2
145.10063	0.5
147.04385	1.1
147.08040	0.4
148.05060	0.3
148.97324	0.6
149.05984	0.7
149.09589	0.9
149.13293	0.3
151.03865	1.5
151.07481	0.5
152.04683	1.9
153.05452	0.4
153.07056	0.8
154.06186	2.4
155.08521	3.7
156.09326	1.1
157.06480	1.3
157.10101	5.1
157.11288	0.4
159.07999	0.7
159.11659	0.5
163.07524	28.2
164.07932	0.6
165.05475	1.0
165.06982	5.0
165.08990	0.4
166.07509	0.3
167.07019	100.0
168.07372	1.4
169.10068	2.2
170.10866	1.0
171.08009	2.6
171.11647	1.7
173.43681	0.3
177.00671	0.4
177.09071	1.0
179.08524	0.6
180.07780	2.7
180.09326	4.6
181.08592	0.6
183.08049	0.4
183.11690	0.5
185.09633	1.0
185.13231	6.3
195.10120	17.5
195.11699	10.4
198.10382	1.0
213.05447	1.0
213.09218	0.5
213.11084	4.0
213.12727	12.9
219.58565	0.3
233.14743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.64670	0.5
53.03937	0.8
55.01868	0.8
55.05504	0.8
55.33951	0.5
56.96544	0.9
57.03412	0.7
58.31462	0.4
67.05478	0.6
69.03405	1.1
69.07017	0.4
69.77514	2.6
71.04996	0.6
78.04701	2.4
79.05479	6.9
81.07042	1.7
91.05470	4.2
92.06297	0.5
93.07036	1.9
95.04964	2.7
103.05447	7.9
105.07018	6.6
106.04198	0.9
107.04944	52.6
107.08562	2.4
108.05296	0.8
109.06488	0.8
115.05436	3.3
116.98598	0.7
117.07053	2.2
119.04941	0.9
119.08557	1.2
120.05729	2.2
121.06504	1.0
121.10143	1.3
122.03654	0.8
123.04407	5.7
123.08006	0.8
124.05209	3.2
125.05991	1.0
128.06209	1.9
129.07011	2.4
131.04927	1.4
131.08546	0.9
133.06477	0.6
134.99664	0.5
135.08037	16.2
137.06009	1.1
139.03865	0.8
141.06898	1.1
142.07779	2.9
143.08559	5.0
145.07588	1.3
147.04398	0.8
149.05937	0.6
149.09605	1.1
151.03899	1.1
152.04709	1.6
153.06857	0.7
154.06248	2.4
155.08549	3.0
156.09331	1.4
157.06497	1.7
157.10129	4.8
159.11670	0.7
163.07529	27.6
165.05643	0.9
165.06975	4.4
167.07025	100.0
168.07326	1.2
169.10109	1.5
170.10919	0.8
171.08034	3.4
171.11681	0.9
177.09084	1.0
180.07782	3.0
180.09338	4.3
181.08430	0.6
183.11678	0.7
185.09647	0.6
185.13252	6.0
195.10130	17.3
195.11708	9.8
198.10463	1.2
213.05432	1.0
213.11119	4.5
213.12756	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	213.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.4
53.03938	1.3
55.01855	1.3
55.05502	25.1
57.03435	1.0
57.07067	52.3
67.05500	3.7
67.84424	0.4
69.03418	2.1
69.07069	2.3
71.04981	1.2
72.19327	0.3
79.05478	3.5
81.07042	5.4
83.04968	100.0
83.08611	0.8
84.05317	0.9
85.06529	9.9
88.07635	0.8
91.05471	3.4
93.07031	10.0
95.04960	2.0
95.08590	7.4
96.25215	0.4
97.06513	4.3
98.41214	0.4
101.62222	0.4
103.05405	0.4
105.07018	6.0
107.04953	0.6
107.07853	0.7
107.08585	12.8
109.06499	3.3
109.10146	1.5
111.04425	87.1
111.08022	2.5
113.06003	1.1
115.05449	0.5
117.06986	1.7
119.08568	3.9
121.06494	3.0
121.10098	2.2
122.07275	0.4
123.08022	0.8
123.75143	0.4
125.05973	19.1
127.07504	2.5
128.06190	3.9
129.05470	1.0
129.06985	4.2
130.07758	1.0
131.08556	2.3
135.08035	9.6
135.11674	14.8
137.05956	0.4
137.09554	0.7
137.13246	1.3
139.07486	3.0
141.06961	1.3
142.07755	3.8
143.08546	10.6
144.09373	0.8
145.06459	0.4
145.10098	12.2
147.45894	0.4
153.06932	0.8
153.12724	3.4
154.07733	0.6
155.08531	5.8
156.09348	2.6
157.06506	2.0
157.10100	10.1
158.07266	0.5
159.07944	0.8
159.11653	1.4
163.11153	15.6
165.06975	7.6
166.07742	0.6
166.26187	0.3
167.07104	0.4
167.08516	1.9
168.09360	0.4
169.10110	3.1
170.10890	2.7
171.08028	4.6
171.11674	4.5
172.08809	1.0
177.16423	0.4
179.08533	0.9
180.09308	7.4
181.12206	36.6
183.08031	0.8
183.11650	1.0
185.09627	1.7
185.13229	9.7
193.10008	0.4
193.33484	0.3
195.09871	0.9
195.11649	17.6
195.13713	3.3
198.10382	2.1
203.36548	0.3
213.05450	0.8
213.11079	5.3
213.12703	26.3
213.14653	1.0
213.16321	4.5
222.14999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.27204	1.0
53.03931	2.4
55.01857	3.4
55.05506	14.7
56.96548	3.5
57.03432	7.6
57.07069	8.5
67.05496	40.5
69.03407	4.0
69.07063	14.9
70.88114	3.6
71.04972	5.3
79.05486	19.2
81.07047	46.5
82.07373	1.3
83.04974	24.7
83.08607	7.6
85.06519	2.5
91.05476	12.1
93.06452	2.5
93.07036	39.0
95.04952	5.5
95.08588	13.0
97.06502	7.8
97.10168	1.3
99.08072	2.6
105.07018	15.3
107.08586	18.5
109.06526	1.8
111.04427	7.2
111.08070	5.1
115.05433	1.4
117.06995	6.7
119.08596	6.4
121.06437	2.1
121.10118	12.7
128.06216	12.4
129.06985	11.9
131.08551	13.2
133.06439	1.2
133.10144	3.5
135.11699	8.2
139.11111	1.5
141.06970	4.8
142.07767	11.8
143.08548	40.3
144.09270	1.8
144.71646	1.4
145.06491	2.2
145.10092	3.9
149.13242	27.5
149.14355	2.5
152.06091	2.1
153.06969	3.5
154.07712	2.9
155.08533	22.5
156.09399	5.8
157.06543	5.8
157.10120	32.0
158.10468	1.6
159.08038	2.8
159.11655	13.7
165.06979	19.3
167.07262	1.4
167.08455	5.9
169.10065	10.6
170.10915	6.8
171.08044	16.9
171.11688	12.0
177.12743	6.6
179.08534	4.1
180.09338	23.4
183.08044	2.1
183.11717	3.0
185.09595	5.0
185.13243	36.0
195.11681	61.3
195.13725	6.1
196.12123	2.2
198.10356	5.3
213.09262	2.8
213.12732	100.0
213.16304	5.4
214.13095	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	213.1482
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03920	1.6
54.51035	1.4
55.01859	5.2
55.05507	19.7
56.56168	1.6
57.03432	13.9
57.07059	10.1
65.03944	1.9
67.05496	75.6
69.03421	1.7
69.07060	29.1
69.35345	8.4
69.35773	9.1
71.04984	6.0
71.08608	1.5
72.16727	1.5
79.05480	40.0
81.07046	100.0
82.07397	1.8
83.04976	27.5
83.08604	14.7
85.06521	5.2
91.05471	20.2
93.07030	69.6
95.04964	5.6
95.08595	27.4
97.06528	12.0
97.10161	2.0
98.21562	2.8
99.08089	2.6
105.07001	11.6
107.08583	33.4
108.68185	1.7
109.06530	4.0
109.10162	4.1
111.04433	5.2
111.08051	10.4
114.97622	1.6
117.07011	9.3
119.08560	3.8
121.06534	1.6
121.10117	23.1
127.07560	1.9
128.06204	5.4
129.06963	3.9
131.08534	14.1
133.10159	9.8
135.08066	2.0
135.11653	15.7
142.07767	2.8
143.08530	13.5
147.11685	2.7
148.07486	1.6
149.13246	47.7
155.08565	8.4
155.18347	1.5
156.09288	3.2
157.06456	2.5
157.10095	10.5
159.11647	19.4
165.06981	10.2
167.08527	2.8
169.10159	4.0
170.10909	2.8
171.08049	5.1
171.11742	3.4
177.12727	7.3
180.09308	10.7
183.08006	2.1
185.13171	9.5
195.11690	22.3
195.13792	9.2
198.10400	2.1
213.12767	29.9
213.16347	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	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.28382	0.4
53.03918	1.4
54.61175	0.5
55.01847	1.0
55.05503	19.0
57.03415	1.0
57.07068	31.1
64.51917	0.4
65.03893	0.7
67.05497	4.1
69.03394	1.5
69.07068	2.9
70.09849	0.5
70.15121	2.0
71.04945	0.8
79.05485	4.0
81.07051	4.8
83.04971	51.8
83.08602	0.5
84.05285	0.6
85.06053	0.9
85.06532	10.2
91.05019	0.4
91.05472	3.8
93.07030	11.4
95.04957	1.5
95.08592	10.6
97.06506	3.5
105.07017	5.8
107.04936	0.8
107.08584	17.5
109.06510	4.8
109.10134	2.2
111.04427	100.0
111.08082	3.7
112.04727	0.8
113.05973	1.9
115.05418	0.6
117.07009	2.7
119.08546	2.9
121.06468	2.9
121.10130	2.2
122.07271	1.0
123.08064	1.1
124.05273	0.6
125.05978	26.9
127.07546	3.1
128.06215	2.8
129.06987	2.8
130.07787	1.6
131.08578	1.9
135.08037	12.5
135.11676	18.9
137.09613	0.6
137.13252	1.5
139.07530	4.1
142.07710	2.6
143.08557	8.1
145.10100	15.6
153.07053	0.8
153.12737	5.0
155.08540	5.3
156.09340	1.1
157.06509	1.2
157.10091	7.1
159.11705	1.0
163.11160	22.7
165.06967	4.3
167.08617	0.8
169.10161	1.6
170.10924	2.3
171.08015	3.6
171.11621	2.4
179.08556	0.5
180.09328	4.7
181.12212	52.2
183.08081	0.6
185.09624	0.9
185.13222	7.2
195.11766	11.8
195.13841	4.8
198.10397	1.0
213.09286	0.9
213.11171	1.7
213.12828	18.5
213.14795	1.7
213.16461	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03943	2.7
55.01867	11.5
55.05505	46.7
55.85082	1.0
56.96554	2.0
57.03431	2.2
57.07072	2.0
59.04992	1.6
65.03907	1.2
67.05495	19.4
69.03413	6.1
69.07065	12.8
69.33383	5.7
69.33811	4.5
71.04986	52.1
72.34908	0.9
79.05481	15.7
81.03408	2.8
81.07047	25.5
83.04974	4.3
83.08614	28.8
85.02905	1.4
85.06519	6.6
87.04451	6.7
90.07361	1.0
91.05466	6.6
93.07027	17.2
95.04958	3.3
95.08595	9.3
97.06519	64.7
97.10160	41.8
98.20688	1.8
98.21374	4.0
98.97577	2.2
99.08073	1.6
101.09668	1.5
103.05473	1.4
105.07023	7.6
107.04920	3.6
107.08583	18.7
109.02876	1.1
109.06503	2.1
109.10143	14.0
109.59547	1.0
111.08076	2.7
113.06010	1.4
115.05460	1.7
117.07027	4.2
119.08531	6.4
121.06539	2.3
121.10143	6.2
123.04418	1.2
123.08015	1.6
123.11703	1.2
125.09615	25.8
127.03877	2.4
128.02267	1.7
128.06215	5.3
129.06979	8.1
131.08597	6.7
133.06520	1.5
133.10126	3.4
134.99588	1.1
135.08070	4.0
135.11667	6.0
141.06976	3.5
142.07733	6.8
143.08543	24.3
144.09285	1.4
145.06538	1.3
145.10127	1.6
147.11668	1.9
149.09604	4.1
149.13269	4.8
151.03850	1.9
152.06186	1.2
155.08521	11.0
156.09315	3.8
157.06483	4.6
157.10103	20.0
159.08067	2.4
159.11723	5.8
163.07550	1.7
165.06996	13.0
167.07033	6.4
167.08560	5.1
167.10727	1.1
169.10126	6.7
170.10924	5.7
171.08040	8.1
171.11632	6.2
177.12717	6.3
179.08487	2.4
180.09332	15.5
183.11673	2.0
185.09576	3.2
185.13237	20.2
189.11247	7.1
195.08055	1.6
195.10092	1.9
195.11702	38.0
195.13792	34.9
196.11969	1.9
198.10391	3.4
213.03806	2.1
213.05547	3.0
213.09163	5.0
213.12740	52.7
213.14864	100.0
214.13078	2.5
214.15172	2.8
229.12561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01852	3.0
55.05508	11.2
56.62495	1.3
56.96538	3.9
57.03417	4.4
57.07074	8.1
60.95849	1.6
62.84770	1.2
67.05172	1.6
67.05498	21.7
69.03401	4.4
69.07056	10.1
69.38123	4.1
69.38549	8.0
71.04971	4.3
79.05491	13.1
81.07046	31.7
83.04975	22.8
83.08629	6.7
84.72166	1.2
85.06527	2.8
88.07607	2.6
91.05471	10.3
93.07031	24.7
95.04934	4.3
95.08585	9.0
97.06510	4.0
98.21021	5.7
99.08079	2.8
105.07021	10.2
105.72495	1.3
107.04938	1.8
107.08588	11.9
109.06484	1.6
109.10146	1.6
111.04437	4.3
111.08079	2.8
117.06986	4.6
119.08596	7.8
121.06475	2.0
121.10126	7.8
125.09505	1.3
128.06226	12.1
129.06981	14.2
131.08551	10.0
133.10121	2.9
135.11676	4.5
141.06973	5.0
142.07758	10.7
143.08546	41.2
143.09686	2.4
144.09315	1.5
145.06470	2.7
145.10094	5.5
149.13240	19.0
152.06139	1.4
153.06985	3.9
154.07735	2.0
155.08533	19.6
156.09355	9.0
157.06506	6.3
157.10110	35.0
159.08057	2.9
159.11697	11.2
165.06989	26.4
167.07140	1.4
167.08537	7.0
168.09245	1.8
169.10100	11.6
170.10902	6.8
171.08040	16.3
171.11714	13.9
177.12752	4.0
177.16293	1.4
179.08575	4.4
180.09320	25.7
183.08093	2.4
183.11751	1.5
184.08745	1.6
185.09601	4.7
185.13234	36.8
185.14836	2.4
186.13542	1.5
193.10251	1.4
195.11678	66.4
195.13712	5.0
197.09534	1.5
198.10385	6.2
213.05463	4.4
213.09143	4.9
213.12729	100.0
213.16307	8.2
214.13045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23159	1.4
53.03931	2.3
55.01852	4.5
55.05502	27.1
56.96533	1.7
57.03439	9.9
57.07068	33.5
67.05494	39.6
69.03414	3.6
69.07056	15.4
70.06577	1.8
71.02177	3.1
71.04977	6.3
79.05479	21.4
81.07047	51.0
83.04972	89.6
83.08623	9.4
85.02876	4.4
85.06538	7.9
88.07623	3.2
91.05470	12.1
93.07036	38.7
95.04959	5.0
95.08585	16.9
97.06512	6.3
97.10161	3.1
99.04486	2.1
99.08095	1.7
105.07023	16.4
107.08578	19.3
109.10131	2.3
111.04434	17.7
111.08057	5.5
115.05458	3.9
117.06998	9.5
119.08575	11.9
121.06503	3.3
121.10123	10.7
123.11738	1.7
125.09561	1.6
128.06224	16.8
129.06993	17.6
131.08560	17.6
133.10117	4.5
135.11679	6.3
137.05966	2.4
139.07494	1.9
141.06956	8.6
142.07759	14.7
143.08537	50.6
144.09325	3.0
145.06474	2.1
145.10118	9.2
149.13243	23.0
149.94016	2.1
152.01373	1.4
152.06209	1.5
153.06993	4.5
154.07738	2.6
155.08531	22.6
156.09329	12.8
157.06433	7.0
157.10117	50.0
159.08023	2.4
159.11702	14.3
165.06993	24.3
167.07225	2.1
167.08473	7.4
168.09288	1.7
169.10114	10.4
170.09647	1.5
170.10893	8.4
171.08038	18.1
171.11661	26.1
172.08760	1.8
177.09027	1.7
177.12761	6.8
179.08568	5.5
180.09311	28.2
183.08096	3.4
183.11610	2.9
184.12668	1.7
185.09590	5.0
185.13231	36.8
195.09879	3.6
195.11684	67.8
195.13712	7.1
198.10394	6.3
213.09283	2.7
213.11157	4.7
213.12769	100.0
213.16306	64.3
213.18007	1.7
214.13129	2.2
214.16721	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	213.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77298	1.3
53.03935	1.0
55.01843	2.0
55.05508	8.4
56.96542	1.4
57.03415	4.5
57.07051	3.5
66.41417	0.9
67.05493	27.8
69.03415	5.8
69.07063	13.0
69.92189	1.1
70.36598	4.0
71.04960	4.6
71.05316	0.9
71.08630	1.3
79.05480	13.4
81.03377	1.3
81.07047	33.0
83.04973	7.5
83.08609	6.1
85.06516	3.0
85.10081	1.0
88.07607	2.6
91.05455	10.8
93.07030	25.0
95.04955	5.8
95.08605	9.6
97.06520	4.4
97.10191	1.4
98.21313	1.5
99.08070	2.3
100.11983	1.1
105.07011	13.5
107.04919	1.5
107.08580	14.0
109.06471	1.7
109.10144	2.3
111.04420	1.9
111.08057	4.2
115.05434	1.4
115.55428	1.1
117.07003	7.9
119.08580	5.6
121.06483	1.7
121.10112	12.0
128.06200	10.0
129.06978	12.1
131.08562	10.7
133.10091	3.8
135.11621	5.5
137.52428	1.1
141.06993	3.8
142.07774	12.7
143.08546	41.6
143.09677	2.0
144.09320	1.8
145.06429	1.8
145.10109	8.8
149.12146	2.1
149.13240	20.1
152.06232	1.5
153.06978	3.7
155.08540	20.5
156.09312	6.8
157.06490	6.8
157.10115	34.6
159.08041	2.9
159.11658	13.3
165.06987	24.5
165.08290	2.1
166.07695	2.1
167.07199	1.7
167.08551	7.2
168.09317	1.6
169.10115	9.9
170.10890	6.8
171.08032	17.6
171.11681	15.4
177.09065	1.2
177.12743	2.8
179.08513	3.1
179.50374	1.2
180.09320	24.2
181.09666	1.5
183.08051	3.5
183.11661	2.9
185.09654	4.9
185.13255	35.5
186.13683	1.0
195.11682	68.1
195.13673	4.2
198.10361	5.2
213.05472	2.9
213.09175	3.3
213.12729	100.0
213.16121	17.9
214.13040	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	213.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05507	14.2
56.96545	4.2
57.03420	2.4
57.07055	2.7
67.05495	7.5
69.03426	6.4
69.07063	15.7
70.06599	2.0
71.04990	6.7
71.13494	3.1
76.15097	1.2
79.05494	9.8
79.30772	1.5
81.03389	1.8
81.07054	21.9
83.04963	3.5
83.08611	8.2
85.02894	14.8
85.06535	6.6
88.07626	1.6
91.05445	8.4
93.07037	17.8
95.04954	5.4
95.08598	22.5
97.02869	1.9
97.06533	1.6
97.10155	5.7
98.97573	9.7
99.08076	15.6
103.05486	2.1
105.07030	18.1
107.04955	9.3
107.08588	26.6
109.06490	2.3
109.10143	8.2
111.08083	12.9
113.09620	1.7
115.05424	3.2
116.98616	6.7
117.06998	2.6
119.01740	1.2
119.08557	9.3
121.06486	2.3
121.10131	49.3
123.04401	1.4
123.08089	2.1
123.11687	7.8
125.05941	1.3
125.09618	5.5
128.02243	3.0
128.06197	14.7
129.07002	14.1
131.08549	9.6
133.10124	1.7
134.99641	5.0
135.07088	1.3
135.08049	3.4
135.11671	9.2
137.13226	6.1
137.88542	1.1
139.11140	2.2
141.06964	5.4
142.07753	13.9
143.08548	50.0
144.09303	2.1
145.06441	2.2
145.10110	2.6
149.09602	5.2
149.13240	3.6
153.06992	5.8
153.12743	4.3
154.07738	2.3
155.08537	24.8
155.10579	1.5
156.09341	9.7
157.06505	8.7
157.08913	2.5
157.10123	36.6
158.07268	1.8
158.99632	3.0
159.08035	3.0
159.11685	5.0
163.07527	4.5
165.06978	29.3
166.07588	1.8
167.07039	16.7
167.08539	6.1
167.10689	1.3
168.09267	1.6
169.10095	10.6
169.12244	2.5
170.10912	7.9
171.08029	23.2
171.11635	12.8
172.08818	2.0
177.00696	5.6
177.09131	1.8
177.16370	70.4
179.08542	4.6
180.07732	1.0
180.09314	34.9
183.08000	3.2
183.11664	3.5
185.09648	5.9
185.13240	39.9
193.09911	1.5
195.10139	5.1
195.11674	73.9
195.13591	3.2
195.17406	9.7
198.10376	7.6
203.48386	1.2
209.91997	1.4
213.05550	2.9
213.09163	8.7
213.12741	100.0
213.14732	6.9
213.18494	5.7
214.13062	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	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01871	2.7
55.05499	11.1
56.96560	1.5
57.07062	2.0
67.05480	4.3
68.86008	0.7
69.03414	2.6
69.07064	16.3
69.42161	1.2
69.42564	7.6
71.04984	3.4
73.41763	0.8
79.05471	6.4
81.07048	16.2
83.08601	9.9
85.06534	4.5
91.05482	2.6
93.07033	12.9
95.04955	1.2
95.08593	34.8
97.10165	9.7
98.20904	3.0
98.97562	1.5
99.08081	22.1
100.87094	0.9
105.06985	4.5
107.04926	1.2
107.08582	34.0
109.10149	9.0
111.08067	15.7
113.09644	3.2
116.98638	1.2
119.08585	2.4
121.10129	57.7
123.08090	1.1
123.11700	1.8
125.06028	1.1
125.09589	6.6
125.13258	1.2
129.06966	2.1
131.08507	1.1
135.11661	10.1
137.13251	8.1
139.11174	2.2
142.07788	1.4
143.08569	5.3
145.10112	0.9
149.09599	1.0
149.13254	4.8
155.08566	3.4
156.09346	1.2
157.10121	3.8
165.07069	4.3
167.07047	1.6
170.10884	1.3
171.08086	3.0
171.11694	1.3
177.16364	100.0
178.16669	1.2
180.09300	4.1
181.05688	1.6
185.13243	5.8
190.06226	1.7
195.10117	1.3
195.11700	8.1
195.13536	1.2
195.17422	13.2
198.10439	1.4
213.12744	13.5
213.14769	1.4
213.18439	8.6
220.48949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84339	2.1
53.03936	2.7
55.01858	3.3
55.05258	3.0
55.05505	49.1
57.03429	4.1
57.07076	10.0
59.04974	6.8
67.05502	16.0
69.03410	8.5
69.07062	99.5
70.93317	6.4
71.04981	13.9
71.08623	3.6
79.05486	14.1
81.07050	60.9
83.04985	10.4
83.08182	3.2
83.08605	24.4
85.06534	39.1
91.05460	5.3
93.07037	32.1
95.04918	3.2
95.08597	91.1
97.06514	8.2
97.10154	23.1
99.08078	28.6
105.07023	15.3
105.61655	2.1
107.04930	4.0
107.08582	55.2
109.10139	33.1
111.08056	6.3
111.11723	13.3
113.09636	13.6
115.05429	2.4
119.08565	6.6
121.10125	75.4
123.11703	13.6
125.09628	11.0
125.13248	2.2
127.11142	3.4
128.06207	10.8
129.07030	11.7
131.08548	7.8
135.11682	41.5
137.13242	37.6
139.11115	15.8
141.06976	4.1
142.07751	8.7
143.08531	33.6
149.13292	9.5
151.14807	6.6
153.06981	3.2
153.12749	13.7
154.07770	3.2
155.08563	22.2
156.09296	6.7
157.06468	6.7
157.10107	29.6
159.11557	2.2
165.06979	19.9
167.07014	5.4
167.08517	5.0
169.10123	7.9
170.10925	8.5
171.08005	15.1
171.11653	9.1
177.14758	4.9
177.16364	100.0
179.08488	2.8
180.09338	22.1
183.11589	3.0
185.09576	5.0
185.13228	26.2
190.05116	2.3
192.56281	2.0
195.09901	3.6
195.11667	59.5
195.17424	22.7
196.12068	2.1
198.10402	5.0
199.98358	2.0
213.10747	4.6
213.12729	78.4
213.16487	3.3
213.18417	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	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01865	4.7
55.05262	1.2
55.05507	14.6
56.96539	1.7
57.03429	1.0
57.07056	3.4
62.77256	0.8
67.05495	7.9
69.03419	6.4
69.07059	16.6
70.06570	0.8
71.04991	5.7
71.08612	1.4
71.61956	1.1
79.05482	9.5
81.03397	2.5
81.06568	1.2
81.07044	21.3
83.04961	3.4
83.08607	11.2
85.06529	6.5
85.10166	2.6
88.07620	1.9
91.05453	5.9
93.07031	22.2
95.04976	3.8
95.08591	39.9
97.06529	1.9
97.10155	9.6
98.97571	1.5
99.08079	21.8
101.08491	0.8
103.05421	1.4
105.07013	12.6
107.04951	3.6
107.08580	36.7
109.06529	1.8
109.10141	12.8
111.08062	13.2
111.11720	1.0
113.09637	6.3
115.05415	1.5
116.98593	1.0
117.07011	1.4
119.08566	6.5
121.06484	1.2
121.10123	61.1
121.57550	0.7
123.08046	1.3
123.11689	1.8
125.09599	6.3
125.13245	1.3
127.03928	1.9
127.11203	0.9
128.06209	8.3
129.07021	10.1
131.08559	4.4
133.06554	0.8
133.10138	1.2
134.99611	2.3
135.08035	1.7
135.11670	14.8
137.13242	7.6
139.11159	1.8
141.06972	4.2
142.07753	9.8
143.08543	30.8
144.09245	1.5
145.06425	1.1
145.10062	2.1
149.09567	1.4
149.13229	5.1
153.07002	3.1
153.09039	1.0
153.12704	2.9
154.07674	1.9
155.08528	15.6
156.09328	5.7
157.06488	4.8
157.10118	22.2
159.08043	2.2
159.11673	3.8
163.07516	1.5
165.06979	16.8
166.07739	1.6
167.07024	6.3
167.08549	4.2
168.09245	1.0
169.07721	1.0
169.10078	7.0
170.10951	4.4
171.08040	12.1
171.11687	9.3
177.16367	100.0
178.16747	1.9
179.08554	2.9
180.09320	19.3
183.08061	2.0
183.11697	2.7
184.08887	0.9
185.05911	1.1
185.09708	3.8
185.13248	26.9
195.11671	44.1
195.17422	17.8
196.12103	0.9
198.06680	1.3
198.10371	5.4
200.02258	0.9
213.05507	2.9
213.09148	4.2
213.12723	70.5
213.16377	8.1
213.18489	8.5
214.13142	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.5
55.05509	0.7
56.96276	1.0
56.96558	14.0
57.03432	0.7
58.99864	0.9
61.16532	0.6
65.49603	0.5
69.03414	0.5
69.07051	0.5
71.17821	0.9
71.18167	0.6
73.02903	0.8
74.97620	0.8
77.00901	1.7
80.04736	0.5
81.03416	0.5
81.07047	0.7
82.99868	1.5
83.04974	2.0
84.96022	0.8
85.01414	0.6
89.06024	0.8
91.05491	0.8
95.01939	1.0
98.97577	6.7
101.00856	7.3
101.06017	0.8
103.02440	13.6
107.87287	0.5
111.04413	2.4
115.02439	0.7
116.98611	9.2
118.03494	1.0
119.01909	100.0
120.02021	1.6
120.98040	1.3
121.01625	1.0
121.03472	16.2
125.99200	0.7
127.00797	0.8
127.02409	1.9
128.98553	1.4
129.05455	1.3
131.01003	0.9
131.01901	10.3
131.08554	1.2
132.98119	0.7
132.99849	1.5
133.03471	1.9
134.99652	14.8
137.02940	64.1
138.03018	1.4
141.98593	2.0
142.03493	5.8
143.00179	0.9
143.01863	0.6
144.05070	0.8
145.03448	76.5
146.03642	0.8
146.99640	2.7
147.01378	6.8
148.01294	1.2
149.01172	0.8
149.02936	7.7
150.02983	0.7
150.99103	1.7
153.00665	3.8
153.98640	0.6
154.03441	0.7
155.07024	4.7
156.00110	0.7
157.03485	1.0
157.10144	0.9
158.01184	1.2
158.99606	0.6
159.05037	0.8
159.11665	1.3
160.04530	2.5
161.03024	1.4
162.99141	3.0
163.04507	62.5
164.04579	0.7
165.00710	2.2
165.02469	1.5
168.05029	5.9
170.99026	0.9
171.01360	6.6
171.02789	1.0
171.05005	0.9
171.99632	1.0
173.02933	4.8
173.08096	4.2
174.01137	0.8
175.04477	1.4
175.06242	1.0
177.00729	1.7
177.02353	0.8
178.01408	0.6
179.99373	0.5
181.01685	0.9
183.01637	1.0
183.99388	0.8
184.00624	1.0
186.06122	3.2
189.00082	1.1
189.02429	37.0
189.05981	1.2
190.02341	1.3
191.00475	0.9
191.04086	5.0
191.98732	0.8
192.98697	1.1
193.00192	6.5
193.01897	2.5
194.00691	1.5
194.03000	1.7
196.02362	0.7
199.00832	1.6
199.04259	0.6
199.14853	0.7
200.01009	2.5
202.00711	2.2
202.51199	0.9
203.01263	0.7
204.50964	0.8
206.01949	0.8
207.03496	24.1
208.03726	0.9
211.01295	1.2
212.01793	1.7
212.04010	6.2
212.07689	0.7
214.00671	1.8
216.01872	0.6
216.98642	1.7
217.01933	11.2
217.03885	0.9
217.05571	1.4
217.08989	2.1
217.10840	4.1
217.15932	1.0
217.58963	0.5
223.01161	3.4
225.51427	0.6
226.03319	1.1
230.05016	1.2
232.01985	0.7
234.99779	2.0
235.02977	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	217.1584
Annotation	Parvifolin
Peak:m/z	Relative Intensity
50.35939	0.6
50.89568	0.6
53.32328	0.6
55.05498	3.6
57.07048	1.1
60.33197	0.5
61.13754	0.5
67.05491	1.2
69.03402	0.6
69.07064	0.7
71.15604	1.3
79.05458	1.4
81.07037	2.2
83.04976	5.3
85.06500	0.6
88.34843	0.6
89.06026	1.5
91.05453	2.6
93.07043	1.3
95.04939	1.3
95.08563	1.2
101.05994	2.3
105.07015	3.2
107.08565	1.5
109.06481	0.7
111.04422	7.0
117.06979	1.6
119.08566	18.4
121.06487	2.4
121.10120	2.1
128.06146	0.8
129.05457	2.0
129.06970	1.4
131.08548	2.4
132.05676	0.8
133.06480	0.8
133.10120	2.6
135.08008	1.1
135.11684	0.6
142.07797	2.9
143.08542	1.9
145.06523	0.6
145.10136	1.4
146.07219	3.6
147.08028	65.2
149.09604	4.9
155.07010	9.4
157.07570	0.6
157.10109	4.2
159.08023	5.0
159.11674	6.1
160.08791	2.0
161.09584	5.8
171.11659	1.1
172.08897	0.6
173.08076	7.0
173.09593	16.0
174.10350	1.8
175.11165	32.7
187.11153	1.9
188.11937	14.1
189.12724	16.4
189.16322	0.8
194.20692	0.6
199.09648	0.7
199.14789	2.9
202.13503	2.4
217.10757	6.8
217.15852	100.0
218.16202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31553	2.0
55.05502	5.1
56.05020	2.7
56.96555	12.8
70.16691	10.9
81.07054	3.5
83.05002	4.1
84.05301	4.0
98.21416	2.5
98.97575	95.2
100.02456	2.5
101.06065	2.2
102.00201	2.1
102.06358	1.8
111.04449	5.0
112.04754	6.0
116.98610	100.0
118.03526	2.5
119.01920	7.1
130.05820	2.3
134.03003	5.5
134.99648	97.2
137.02992	4.6
140.00191	4.5
152.04005	3.3
153.00703	21.5
155.07103	4.1
156.07401	14.3
158.01207	18.1
158.10457	2.9
160.12036	3.8
165.95914	2.1
174.06145	2.6
174.08403	12.6
176.02293	14.4
176.04033	9.6
176.05600	2.5
176.40704	2.3
177.00739	29.2
194.03377	3.3
194.05043	3.9
195.01709	18.6
200.02303	3.0
200.04204	2.8
200.15236	2.5
214.94481	2.2
218.05125	3.3
218.11037	16.9
218.16220	5.1
219.01949	16.5
235.99908	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	218.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53104	1.6
55.01860	4.4
55.05499	10.8
56.05027	2.4
56.05828	5.6
56.96562	42.2
57.03428	5.4
59.05000	3.8
60.95835	5.2
61.02912	8.0
67.05493	3.8
67.20277	1.6
69.03423	7.6
69.07035	2.4
70.06586	2.5
71.01344	3.6
71.04984	3.6
71.63090	3.3
72.04501	7.1
72.08161	9.9
73.02898	9.3
74.06075	3.3
79.05468	2.4
81.03407	3.6
81.07048	6.0
83.04982	13.8
84.04504	3.4
84.05298	7.5
84.08147	5.3
85.02891	12.2
87.04446	2.6
87.78998	1.6
89.02431	2.0
89.03889	4.1
89.05978	3.4
89.10778	3.0
90.06353	2.6
91.05482	5.1
93.07050	2.6
94.02926	3.3
95.08601	2.7
97.02872	6.8
98.97578	72.6
99.04442	5.0
100.03956	3.0
101.00864	3.4
101.05997	4.8
102.06327	4.3
105.07029	5.8
106.07333	3.1
107.04953	2.3
107.08595	4.2
110.97595	2.2
111.04454	10.0
112.04087	2.0
112.04748	11.8
113.02378	2.7
116.98612	100.0
117.03358	3.4
118.03513	2.6
119.01900	22.3
119.04889	2.8
119.08562	3.6
120.01999	10.8
120.08896	3.4
121.01680	4.3
121.10139	3.3
124.03989	2.1
124.99103	2.3
127.03915	3.2
128.02257	2.2
128.07071	4.1
128.98593	7.6
129.05481	2.6
130.04974	9.9
130.05835	4.7
130.07182	2.2
131.01898	5.0
131.08583	3.0
132.01993	1.8
132.08896	2.9
133.03461	2.3
134.75574	1.7
134.99652	94.3
135.04277	3.8
136.04559	2.6
137.02963	9.5
138.03038	4.3
138.05431	2.8
140.00137	3.5
143.00151	6.9
144.08798	2.3
144.99829	2.2
145.02707	3.1
146.03583	6.4
146.05006	2.7
146.99677	5.8
147.03259	2.3
147.04372	6.2
150.99031	3.1
153.00714	20.6
154.05101	1.7
155.07007	7.3
156.06447	10.0
156.07594	21.5
158.01256	16.8
158.10463	5.6
158.99608	3.4
159.03009	2.5
160.11984	13.1
161.01221	10.2
161.02837	3.6
163.03847	17.5
164.04645	4.3
165.00700	2.3
165.04329	2.3
172.01578	2.7
172.04669	3.6
172.06036	11.2
172.95323	3.5
173.02972	5.9
173.08076	6.9
174.08467	19.7
174.99110	2.1
176.02304	9.8
176.03850	3.0
177.00685	19.1
177.02234	3.5
177.05525	5.6
185.01259	4.6
189.00664	3.5
190.02504	2.4
190.07057	6.1
191.02231	3.9
193.00218	3.8
194.00577	3.8
194.03421	3.1
194.05243	3.2
195.01747	11.2
195.03389	3.3
200.03862	3.0
200.05553	3.9
200.09798	2.8
200.15154	7.2
201.02411	3.1
203.02251	2.5
207.04004	2.6
212.98798	3.0
213.00655	2.7
216.04652	3.7
218.04965	6.3
218.06775	16.2
218.11061	23.3
218.16188	14.8
219.01656	4.2
219.03505	6.0
235.99858	2.8
237.00731	2.0
237.02856	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
67.05480	1.9
70.37457	0.8
70.86396	1.8
81.07030	2.3
84.88438	1.0
91.05473	7.5
93.07030	1.6
95.04924	1.1
95.08569	1.4
103.05465	1.2
105.07007	3.9
107.08594	1.6
111.04481	0.9
112.45009	0.9
115.05443	5.4
116.06261	1.6
117.07000	3.4
119.08581	1.6
121.10107	1.8
128.06223	5.9
129.06999	29.2
130.07745	2.4
131.04968	5.4
131.08556	29.6
133.10110	2.9
137.05949	2.2
141.06976	25.3
142.07433	1.0
143.04912	1.9
143.08568	1.0
144.05687	2.7
145.06468	5.6
145.10132	2.9
146.07211	3.2
147.08083	1.0
153.17131	1.0
155.05998	1.0
157.06479	17.0
158.07265	14.4
159.04414	2.5
159.08041	20.0
159.11745	0.9
159.38432	0.9
160.05183	3.2
161.09593	3.5
161.13312	1.7
163.07565	1.5
168.05661	1.0
169.06470	10.9
170.07281	4.5
171.04457	0.8
171.07990	1.0
173.05980	4.1
173.09584	1.2
173.13191	1.1
174.06746	56.4
175.07524	10.5
186.06752	14.8
187.07590	1.4
188.08276	2.6
189.09093	77.4
190.09448	1.5
191.07050	1.4
191.10640	6.0
201.09082	31.9
201.16347	1.3
202.09341	1.0
203.14297	2.6
219.10146	100.0
219.17389	16.0
220.10506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
52.78507	0.4
55.05515	0.6
57.03436	1.0
60.04588	0.6
67.05508	1.8
69.07095	0.6
70.97205	1.4
79.05488	1.4
81.07062	2.2
91.05463	9.8
91.05987	0.7
93.07040	1.6
95.04977	0.8
95.08612	0.8
103.05455	1.9
105.07008	3.6
107.08582	2.1
109.10168	1.0
115.05438	6.6
116.06218	3.1
117.07021	3.1
119.04944	0.5
119.08573	3.4
121.10138	2.8
125.28484	0.5
128.06215	6.8
129.06987	28.7
130.07802	2.4
131.04903	5.8
131.08554	30.5
133.10110	3.5
135.11684	1.0
137.05908	2.6
141.06972	28.7
142.07722	0.5
143.04938	2.2
143.08560	1.8
144.05693	4.5
145.06474	4.4
145.10120	4.2
146.07214	3.4
147.11731	1.1
151.07552	0.6
155.06003	0.9
157.06474	15.4
158.07254	16.0
159.04417	2.2
159.08035	20.3
159.11682	1.4
160.05199	3.2
161.02919	1.0
161.05975	1.0
161.09610	3.8
161.13257	1.4
162.06847	0.7
163.07535	1.5
169.06458	12.1
169.07639	0.8
170.07243	6.7
171.08037	1.5
173.05954	3.3
173.09590	1.2
173.13251	1.8
174.06749	57.1
175.07513	11.8
176.08209	0.7
177.09190	0.5
177.12730	0.6
185.05956	0.7
186.06738	14.4
187.07408	1.1
188.08304	3.8
189.09084	75.8
190.09470	1.6
191.07002	0.7
191.10649	7.0
201.09087	31.9
201.16388	2.0
202.09402	0.8
203.14311	4.5
219.10130	100.0
219.17387	19.6
220.10451	2.2
229.75731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05500	2.1
57.03417	1.3
67.05499	3.6
69.07047	1.9
69.52062	4.9
69.52479	1.3
72.27964	0.6
79.05472	2.8
81.07055	7.5
83.04980	3.6
91.05479	10.4
93.07028	6.1
94.06557	1.0
95.03165	0.6
95.04955	2.6
95.08600	4.2
98.20734	0.9
98.97563	1.0
100.84929	0.6
103.05450	2.4
105.07019	6.9
107.08593	4.6
109.06491	2.1
109.10147	2.3
111.11718	0.8
115.05437	6.3
116.06241	2.7
116.98603	0.8
117.07025	3.5
119.08552	5.3
121.10128	12.1
123.08108	0.9
123.11647	0.6
125.09615	0.7
128.06226	7.3
129.06996	28.5
130.07765	2.3
131.04926	4.1
131.07574	1.5
131.08560	28.7
133.10110	5.1
135.08064	0.7
135.11658	2.1
137.05989	3.7
141.06978	26.3
142.07555	1.1
143.04861	1.5
143.08586	2.2
144.05685	4.8
145.06477	5.7
145.10110	6.8
146.07265	3.5
147.11676	2.3
148.05168	1.5
149.09552	1.5
149.13269	1.0
157.06482	15.4
158.07266	16.4
159.04388	2.0
159.08034	20.3
159.11679	4.6
160.05254	3.7
160.06451	0.7
161.05925	1.2
161.09599	2.9
161.13258	3.6
162.06624	0.8
163.07460	1.3
163.11183	1.8
168.05606	1.0
169.06467	10.6
169.07755	1.2
170.07231	5.8
171.08087	0.8
173.05939	3.4
173.09610	1.6
173.13220	1.9
174.06754	57.9
175.07509	9.9
175.14781	1.4
185.05936	1.3
186.05093	0.9
186.06755	13.8
187.07558	1.8
188.08321	2.4
189.09094	76.9
190.09474	1.2
191.06931	1.6
191.10657	6.4
191.17909	0.8
201.09082	28.5
201.16386	5.2
203.14319	4.6
219.10149	100.0
219.17413	37.0
219.19612	1.3
220.10487	3.0
220.17003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01860	1.4
55.05496	1.0
56.96559	0.9
57.07071	7.1
59.05001	4.8
60.26783	0.8
61.02909	0.9
64.17040	0.7
67.05492	4.9
69.07059	5.2
70.02955	4.8
72.04507	13.3
73.02919	3.2
74.02425	1.4
81.07069	0.8
83.04953	1.1
85.02883	1.2
85.06529	8.1
86.09715	1.6
87.08083	3.1
90.05544	100.0
95.04954	7.7
96.08113	1.7
98.02397	10.5
99.80807	0.7
100.03954	2.0
103.07561	7.2
112.56910	0.7
113.05959	3.2
116.03440	16.1
122.29199	0.6
124.07578	16.1
130.08667	0.8
131.07050	0.9
142.08614	6.8
146.05995	1.2
147.04356	0.8
158.11618	1.1
160.09636	1.9
166.08601	2.6
174.11279	1.8
184.08125	1.4
184.09686	22.3
202.10722	34.2
204.14629	3.3
205.15854	3.6
220.11784	46.8
220.17755	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	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96555	0.1
67.05518	0.1
71.63501	0.2
79.05510	0.2
80.05021	0.1
81.07024	0.1
91.05484	0.2
93.07085	0.2
105.07035	0.3
106.07336	0.2
107.08556	0.1
115.05464	0.1
117.07014	0.1
118.06532	7.4
119.07342	0.2
119.08600	0.3
121.10129	0.2
122.10399	0.1
125.12187	0.1
129.06992	0.1
130.06511	0.1
131.04936	0.1
132.08073	2.1
132.08994	0.2
132.17328	0.1
133.08875	1.2
133.09981	0.2
134.09633	0.6
134.10512	0.2
136.08426	0.1
143.04863	0.2
144.08057	0.3
145.10165	0.2
146.09605	2.2
147.04391	0.2
147.10370	0.2
148.11185	0.2
151.07622	0.2
160.11198	0.4
161.11971	0.2
162.07014	0.2
162.09114	4.7
163.09830	0.2
175.07463	0.3
176.10764	3.1
176.14325	23.0
177.05479	0.3
177.09096	0.6
177.11441	1.2
177.14671	0.5
178.12103	0.1
189.15125	0.2
190.09552	0.2
190.12221	2.8
191.06956	0.2
191.12912	0.3
202.15796	0.8
204.14522	0.3
205.15845	0.5
220.16931	100.0
221.08086	0.3
221.17239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0918
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01830	0.5
55.05492	0.8
56.96541	1.0
57.03424	0.4
57.07041	1.9
64.54751	0.4
67.05473	1.9
69.03397	0.7
69.07070	0.9
70.06582	3.5
71.61137	0.7
74.02389	0.4
79.05460	1.5
81.07050	3.0
82.02925	1.1
83.04958	0.9
83.08573	1.0
85.02855	0.8
91.05447	1.9
93.07017	2.2
94.06554	3.1
95.01352	0.4
95.04958	1.0
95.08618	2.0
95.34449	0.4
97.02898	0.7
97.06526	0.5
98.97575	1.0
103.05444	0.8
105.07021	2.6
106.06573	0.7
107.04935	0.5
107.08598	2.4
109.06512	1.1
109.10135	2.6
111.08054	1.6
115.05457	2.1
116.07088	2.3
116.98573	0.6
117.05704	0.5
118.06533	0.5
119.08594	2.5
120.08088	1.5
121.06467	1.8
121.10110	1.2
123.08042	0.7
123.11666	1.0
127.07034	0.5
129.06960	1.0
130.06516	45.8
131.04892	1.3
132.04440	30.4
132.08000	0.8
133.04927	0.4
133.06464	1.6
133.10115	2.4
134.06003	5.6
134.99628	0.7
135.07959	0.9
135.11685	0.8
137.05937	1.4
137.09569	1.4
145.06371	0.5
145.10118	0.7
146.05975	1.2
147.04456	0.4
147.06311	2.0
147.08020	0.7
147.09140	0.6
147.11696	1.7
148.07545	4.2
149.13197	0.7
153.09081	0.9
157.06544	0.7
157.07600	17.8
158.05998	64.4
158.99763	0.4
159.06526	1.0
160.07588	3.6
161.05948	1.1
161.09636	1.1
161.13217	1.4
162.05484	10.9
163.11139	0.7
165.09073	1.1
175.08655	100.0
175.14738	2.0
176.07051	2.7
176.08948	1.3
177.04823	0.4
177.09030	0.5
179.10672	0.7
185.13254	0.5
186.05482	4.5
191.08609	0.8
193.15872	1.8
203.06946	1.4
203.08443	1.0
203.10571	0.8
203.14282	1.2
203.17928	1.6
204.06546	21.7
206.16206	0.6
221.02829	0.7
221.09216	32.3
221.11655	1.7
221.15289	3.5
221.18518	1.0
222.09567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03931	1.0
55.01858	1.4
55.05504	4.0
56.96324	1.1
56.96560	11.6
57.03413	2.3
57.07067	7.9
60.04501	1.1
60.95839	0.8
61.02914	1.6
62.99011	0.7
65.03930	0.7
67.05497	6.5
69.03429	5.8
69.07076	4.7
70.06568	3.1
70.26575	1.3
70.26994	3.0
71.04961	1.8
72.08143	1.5
73.02901	3.5
74.06032	0.9
76.16412	0.9
79.05469	2.4
81.03391	2.4
81.07052	7.9
82.02934	1.7
83.04947	2.4
83.08601	2.7
84.96024	1.1
85.02891	5.9
90.05557	0.9
91.05437	6.2
93.07016	4.2
94.06560	4.0
95.01338	1.0
95.04943	2.2
95.06085	1.0
95.08592	6.2
97.02873	6.4
97.06528	1.1
98.97562	7.0
101.05999	1.1
103.05439	2.0
105.07009	6.6
107.04936	2.3
107.08588	4.3
107.09186	0.7
109.02841	1.4
109.06489	2.3
109.10140	6.6
110.07152	2.5
110.97567	0.9
111.08073	5.2
113.03578	1.2
114.92858	0.8
115.05419	1.4
116.07098	1.9
116.98611	7.9
118.03553	0.8
119.01884	3.0
119.04929	3.0
119.08588	5.6
119.09312	1.0
120.08086	1.1
120.97878	0.9
121.01601	1.9
121.06491	4.0
121.10128	3.4
123.04440	1.8
123.08077	1.6
123.11743	1.3
127.03900	1.0
127.06985	0.7
128.98586	2.1
130.06509	84.9
131.01797	1.3
131.04924	2.5
131.08507	1.1
132.04434	39.2
133.06461	1.5
133.10091	5.1
134.07057	0.9
134.99632	8.3
135.04364	1.0
135.08012	1.7
135.11711	0.9
137.05968	6.0
137.09579	5.2
138.98927	1.0
139.02750	1.0
139.03867	1.0
139.07552	0.7
141.05441	1.0
143.08598	0.9
145.10121	1.6
146.05916	0.8
146.99622	3.5
147.03323	0.7
147.04398	3.5
147.08067	1.0
147.09134	1.2
147.11661	3.3
148.07556	4.5
148.08514	0.8
151.07552	1.5
151.11108	1.4
153.00653	2.1
153.09111	2.7
155.04652	0.9
155.54860	1.2
157.07597	53.5
157.10162	2.2
158.05995	83.1
158.99609	2.2
159.06258	1.0
161.03009	1.4
161.04651	2.3
161.05878	1.4
161.09587	2.5
161.13229	2.0
163.02699	1.3
163.07570	1.6
163.11165	1.5
164.05153	1.3
164.55362	1.0
165.09071	2.7
165.81834	0.9
175.02669	1.4
175.08653	100.0
175.11157	2.4
175.14751	3.8
176.06995	2.2
176.09091	1.6
177.00679	4.1
177.09058	1.4
179.02277	1.2
179.03801	1.1
179.10611	1.6
181.04935	1.3
185.07098	1.1
185.13164	0.7
186.05511	2.6
186.99091	1.0
189.00768	1.1
191.02264	1.2
191.03969	1.1
193.03659	1.0
193.12212	1.1
193.15886	4.5
203.08145	33.0
203.10921	1.5
203.14360	3.7
203.17937	2.0
204.06636	5.7
206.16246	1.1
209.03860	0.9
209.05663	0.8
216.99989	0.8
219.01712	1.0
221.02892	2.5
221.04648	1.3
221.09285	24.4
221.11665	3.1
221.15298	9.3
221.18170	4.0
222.11209	2.2
237.02844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76750	0.2
55.05535	0.5
56.96601	0.4
57.07090	0.4
67.05502	0.7
67.13867	0.2
69.07083	0.5
69.79078	0.9
71.05018	0.3
79.05511	0.6
81.07045	1.4
83.04996	0.2
83.08617	0.2
85.06595	0.2
91.05459	1.2
93.07050	0.8
94.92518	0.2
95.05000	0.5
95.08585	0.8
97.02923	0.3
98.97614	0.5
99.04459	0.3
99.08067	0.2
103.05499	0.2
105.07020	1.6
106.07820	0.2
107.04960	0.2
107.08580	1.1
109.06496	0.4
109.10128	0.9
111.08131	0.2
115.05423	0.8
116.06258	0.5
116.56995	0.2
116.98633	0.5
117.07001	3.6
118.06543	0.4
119.04945	0.3
119.06879	0.4
119.08548	1.4
121.06524	0.4
121.10168	0.6
123.08076	0.3
123.11677	0.8
128.06204	0.9
129.07036	0.2
131.04904	0.3
131.08568	0.5
133.06473	0.8
133.10141	0.8
134.07233	0.7
134.99660	0.5
135.08012	0.7
135.11676	0.6
137.06009	0.2
137.09637	0.3
140.02315	0.2
143.08533	1.0
144.05688	0.3
145.06476	0.9
145.10103	0.2
147.04362	0.3
147.08044	0.5
147.11668	0.9
149.02838	0.1
149.09618	0.2
149.13222	0.2
153.09195	0.3
157.10138	0.3
159.08075	0.2
159.11641	0.4
160.05249	0.3
161.05945	0.5
161.09602	0.3
161.13232	0.9
162.06726	4.2
162.08905	0.2
163.07582	0.2
163.09413	0.4
163.11148	0.4
163.14803	0.2
165.09146	0.2
171.08002	0.5
175.07545	2.8
175.11172	0.3
175.14824	0.8
176.14256	0.2
177.09079	100.0
177.14528	1.6
178.09438	1.3
185.13245	0.2
191.02051	0.2
191.12482	0.2
193.08585	0.2
203.07024	0.3
203.10672	0.7
203.14340	0.7
203.17937	0.3
210.08192	0.3
221.07823	0.4
221.09659	0.3
221.11685	1.4
221.15292	1.2
221.17232	9.2
222.11162	0.2
237.02568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.1
55.05503	1.3
55.33941	0.1
57.07049	0.1
60.13306	0.1
65.03922	0.1
67.05482	0.3
69.07054	0.2
69.44293	0.7
71.04978	0.2
79.05479	0.3
81.07054	1.0
83.04941	0.1
91.05466	0.9
93.07030	0.6
95.08595	0.6
98.20918	0.4
98.97551	0.1
103.05468	0.1
105.07021	0.8
107.08582	0.7
109.06475	0.2
109.10142	0.3
111.08070	0.2
115.05439	1.0
116.06228	0.5
116.98604	0.1
117.07006	3.9
119.04921	0.2
119.08574	1.0
121.02842	0.3
121.06504	0.4
121.10120	0.1
123.08077	0.2
123.11675	0.3
127.27898	0.1
128.05338	0.2
128.06195	1.1
129.06958	0.1
131.08536	0.2
133.06450	0.6
133.10114	0.5
134.07236	0.8
135.08035	0.6
135.11650	0.7
137.09592	0.2
143.08539	0.8
144.05698	0.5
145.06479	0.8
145.10034	0.2
147.04375	0.1
147.08018	0.4
147.11655	0.4
149.02328	6.8
149.09641	0.3
150.02620	0.1
160.05182	0.3
161.05905	0.3
161.09702	0.1
161.13219	0.5
162.06743	4.7
162.08107	0.2
163.11029	0.1
165.09045	0.1
167.03435	0.2
171.08017	0.5
175.07532	2.5
175.11131	0.3
175.14867	0.2
177.09085	100.0
178.09425	1.4
188.08371	0.1
193.08571	0.1
203.10628	0.6
203.14272	0.2
203.17912	0.5
221.07948	0.2
221.11731	0.9
221.15375	0.8
221.19119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03939	2.6
55.01875	2.7
55.05499	17.3
56.96563	4.6
57.03417	3.8
57.07074	13.5
59.04981	3.1
59.81246	2.0
67.05495	26.6
69.03429	4.9
69.07065	28.1
71.05000	13.6
71.61423	2.2
79.05484	26.4
81.07050	83.4
83.04961	5.9
83.08608	12.7
85.02914	2.0
85.06536	3.5
86.78635	2.2
91.05459	26.9
93.07038	54.4
95.04956	19.7
95.08598	52.2
95.52126	1.9
97.06520	8.3
97.10139	5.1
98.97574	4.3
99.08117	4.6
103.05470	4.9
105.07019	100.0
106.91677	2.3
107.04959	4.8
107.08582	63.0
107.09280	4.3
109.06516	8.2
109.10142	39.0
111.04443	2.9
111.08077	6.3
113.09614	2.7
115.05437	5.7
116.06273	2.0
116.98633	10.5
117.07014	11.0
119.04928	1.8
119.08567	85.5
120.08934	2.0
121.06522	12.6
121.10129	36.0
123.04418	3.3
123.08060	5.1
123.11690	14.9
125.09580	4.8
127.11218	2.5
128.06203	3.5
129.07004	7.9
131.04901	6.1
131.08559	65.2
131.09508	4.3
133.06506	8.7
133.10120	50.7
134.99664	12.8
135.08034	8.6
135.11681	43.4
137.05963	6.3
137.09578	5.6
137.13235	2.8
139.07491	4.1
139.11150	4.1
142.07784	4.1
143.07593	1.9
143.08542	12.3
144.09294	4.4
145.10118	26.4
147.08032	8.5
147.11674	43.3
149.02344	4.4
149.09514	2.8
149.13242	9.1
151.03929	2.4
151.07564	3.1
151.11145	5.2
153.00710	5.6
153.09111	2.3
157.10114	12.5
158.01219	6.4
158.10938	5.2
159.11674	11.5
161.06001	4.8
161.08360	3.4
161.09563	14.0
161.13234	26.8
162.06645	3.9
163.07483	4.7
163.11197	4.7
163.14813	18.5
165.05534	3.5
165.07011	2.7
165.09137	6.7
165.12741	4.1
170.10915	3.7
173.11732	3.9
173.13251	80.6
175.07562	7.4
175.11205	7.8
175.14798	43.3
177.09097	57.1
177.16348	5.8
179.10611	3.1
181.76607	2.4
185.13222	19.7
191.14307	26.5
193.08546	5.2
193.12340	3.3
193.15886	4.9
203.06972	2.7
203.10654	6.6
203.14313	45.0
203.17969	47.1
206.16232	4.2
221.04419	5.4
221.07976	4.5
221.11835	15.8
221.15405	51.4
221.19058	45.1
222.11279	7.6
238.68661	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02371	0.7
53.03942	4.4
55.01862	1.6
55.05502	10.1
56.96555	2.5
57.07068	1.8
59.04984	0.7
65.03940	1.4
67.05496	10.4
67.24452	0.6
69.03433	0.6
69.06703	1.2
69.07058	11.9
69.59540	5.5
71.04986	2.3
71.81777	0.6
73.06522	1.3
77.03880	0.7
79.05481	49.2
80.05800	1.4
81.07047	32.3
83.04971	2.1
83.08608	4.4
85.06526	3.6
87.04449	1.2
91.05466	36.9
93.07027	100.0
94.07401	1.1
95.04958	13.5
95.08588	16.7
95.09151	1.2
97.06523	2.2
98.20877	1.8
98.21463	1.3
98.97582	2.1
101.06001	1.1
105.04494	2.1
105.07014	36.5
107.04953	1.3
107.08578	62.0
109.06497	5.8
109.10140	2.1
111.08092	1.2
113.06052	0.7
116.98569	3.2
117.07005	3.6
119.08565	37.5
121.06471	3.7
121.09296	1.0
121.10128	14.0
122.10509	0.6
123.08064	4.0
127.07536	1.1
128.06252	0.8
129.06972	4.0
131.08554	16.5
132.08905	0.9
133.06477	1.4
133.10121	11.9
134.99655	3.8
135.08011	2.4
135.11661	2.3
139.07526	0.8
142.04614	0.6
142.07736	1.0
143.08540	8.5
144.09309	1.4
145.10121	3.8
147.08037	2.5
147.11668	5.4
149.13235	0.7
153.00731	0.9
153.09122	1.1
155.14633	0.7
157.10086	5.9
158.01257	1.8
158.10846	0.9
159.11685	8.0
161.09605	6.2
161.13228	27.4
163.07605	0.7
163.14783	2.1
165.09119	2.2
170.10843	1.0
173.11757	1.0
173.13242	14.0
175.02745	1.5
175.11212	6.3
175.14804	9.8
179.10593	1.2
185.13229	19.4
191.14270	5.7
193.03793	1.1
203.14270	18.0
221.15335	38.7
221.17584	1.4
222.15569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05500	4.8
57.03422	1.3
57.07059	1.6
59.32795	1.1
60.47402	1.1
61.20527	1.2
63.45098	1.1
67.05479	3.5
69.07054	9.8
70.69966	4.9
75.57130	1.1
79.05468	4.6
81.07050	14.9
81.84283	1.3
83.04973	1.2
83.08582	2.3
91.05471	10.3
93.07033	15.9
95.04942	4.9
95.08601	15.3
97.06545	2.5
98.97578	2.7
105.07021	65.7
107.08577	24.9
109.06481	3.2
109.10143	5.3
111.08041	1.8
116.98604	3.4
117.06997	5.5
119.08565	39.3
121.06486	5.0
121.10165	7.9
123.08041	2.0
125.09626	1.3
128.06219	2.2
129.07025	5.7
131.08554	79.3
133.06541	1.4
133.10107	21.9
134.99603	3.3
135.07993	1.8
135.11687	5.1
141.06847	1.2
142.07747	2.9
143.08524	11.3
144.09349	3.2
145.10109	15.1
147.08025	2.7
147.11630	8.6
149.13243	2.7
151.07545	1.4
154.17070	1.3
155.08521	1.7
156.09270	2.8
157.10129	7.1
158.10863	5.7
159.11726	6.6
161.09641	6.4
161.13235	10.0
163.14812	15.4
170.10864	4.6
171.11627	1.5
173.13249	100.0
174.13704	1.8
175.11171	2.0
175.14809	27.9
176.11951	3.4
177.12724	1.3
185.13239	12.1
191.14284	42.3
193.15863	1.5
203.14291	30.1
203.17903	6.5
203.71417	1.2
221.15346	20.1
221.18782	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	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03928	2.9
54.71361	1.4
55.01863	2.2
55.05503	12.8
56.96552	6.1
57.03429	2.2
57.07059	5.5
59.05002	1.7
65.03915	2.1
67.05498	19.0
69.03414	3.0
69.07060	16.9
70.30072	5.9
71.04984	3.3
79.05045	2.3
79.05482	27.5
81.03397	4.4
81.07047	39.3
83.04952	4.4
83.08607	5.2
85.02886	1.9
85.06530	3.3
91.04898	1.2
91.05466	31.2
93.06460	2.9
93.07034	56.6
95.04955	25.3
95.08592	33.6
97.06513	4.9
97.10151	1.8
98.97567	5.6
99.76284	1.3
103.05476	2.5
105.07019	81.8
106.07360	1.4
107.04940	2.3
107.08577	50.5
109.06511	12.8
109.10146	10.8
111.08073	3.5
116.06213	1.4
116.98594	6.3
117.07007	10.4
119.08567	57.8
121.06483	10.2
121.10132	22.2
123.08080	6.1
123.11659	3.5
125.05948	1.4
128.06189	3.0
129.06981	6.7
130.07744	2.3
131.08553	88.3
132.08862	1.4
133.06482	3.5
133.10109	34.7
134.99649	13.2
135.08046	4.2
135.11687	8.8
137.06013	2.3
137.09602	3.3
142.07765	4.0
143.08548	15.3
144.09315	3.6
145.10098	24.8
147.08020	5.3
147.11678	15.2
149.09596	1.6
149.13232	2.2
151.07468	1.6
153.00694	3.1
153.07117	1.5
155.08505	1.8
156.09348	3.9
157.10112	13.5
158.01247	6.3
158.10875	7.3
159.11671	13.5
161.05994	1.6
161.09592	10.2
161.13237	18.5
163.11147	3.4
163.14799	19.9
165.09158	1.8
165.12799	1.4
170.10921	6.4
173.13242	100.0
174.13597	2.0
175.02795	1.7
175.11176	4.0
175.14810	46.1
176.02284	1.9
176.54967	1.4
185.13235	25.0
191.14282	32.4
193.03813	2.0
193.15860	4.1
203.10686	1.4
203.14296	44.9
203.17935	5.7
204.14633	1.9
206.16328	2.7
209.42950	1.5
211.29047	1.1
221.11943	6.1
221.15353	64.9
221.18799	5.8
224.90736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.4
55.01867	1.1
55.05503	9.8
56.96550	1.8
57.03417	0.8
57.07065	3.4
59.04970	0.8
67.05208	0.9
67.05499	9.3
69.07061	10.5
71.04982	19.4
71.12935	1.8
73.06601	0.9
74.33251	0.7
79.05476	18.2
81.07043	74.8
82.07375	1.0
82.28974	0.7
83.04965	1.8
83.08604	3.5
85.06496	1.1
91.05458	13.2
93.07031	36.6
95.04974	5.0
95.08587	27.8
97.06495	2.5
97.10184	1.4
98.97572	0.9
99.04436	1.1
99.08057	3.8
102.77015	0.8
103.05425	0.9
105.07017	34.1
107.04958	1.1
107.08575	56.9
108.08914	0.9
109.06525	3.7
109.10142	22.5
111.08051	2.3
111.11678	1.0
113.09633	1.5
115.05437	1.2
116.98643	0.9
117.06991	2.5
119.08562	51.2
121.06505	2.3
121.10129	9.4
123.08086	2.5
123.11697	14.7
125.09605	0.8
127.11169	7.5
129.07022	1.2
131.04901	1.0
131.08569	7.2
133.06520	2.1
133.10095	24.4
133.11057	1.3
134.99667	1.2
135.11670	100.0
137.09624	2.2
137.13190	1.9
142.07718	1.0
143.08537	1.5
145.10103	4.7
147.04431	1.2
147.07977	1.6
147.11658	19.9
149.02342	0.9
149.13257	7.3
151.03891	1.1
151.07547	1.0
151.11182	2.3
157.10141	2.3
159.11681	2.2
160.12424	1.5
161.05965	2.6
161.09598	1.2
161.13240	12.5
163.11169	1.5
163.14803	4.1
165.09172	1.6
165.12711	1.8
173.13245	8.3
175.02750	1.6
175.07474	1.3
175.11192	1.2
175.14825	10.0
177.09096	4.7
177.16350	1.6
185.13264	3.5
191.14308	4.9
203.10609	1.5
203.14374	5.3
203.17915	32.0
206.16191	1.2
221.04407	1.3
221.08003	1.1
221.11687	2.2
221.15486	10.5
221.18979	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	2.2
53.52656	1.0
55.05506	13.0
56.96551	3.9
57.07079	6.2
59.05008	1.5
61.18847	1.0
65.03950	1.2
67.05499	14.4
69.07065	18.8
70.22185	5.1
71.04992	18.4
77.03892	1.0
79.05485	19.6
81.03429	1.2
81.07050	100.0
82.07381	1.0
83.05000	3.4
83.08606	5.7
85.06537	2.6
85.34309	1.0
91.05463	14.3
93.06453	2.4
93.07038	41.9
95.04964	5.7
95.08601	35.2
97.06539	4.4
97.10197	1.4
98.20864	1.8
98.21413	1.5
98.97591	3.7
99.08090	3.9
102.13513	1.0
105.07020	51.3
107.04940	1.8
107.08585	47.9
109.06495	6.5
109.10147	26.7
111.08075	4.1
111.11740	3.1
113.09675	2.1
114.54276	1.0
116.98626	2.1
117.07023	4.1
119.08573	75.3
121.06484	3.6
121.10134	13.9
123.08085	5.0
123.11710	16.6
125.09614	3.3
127.11183	10.1
128.06204	1.5
129.06985	1.2
131.08585	9.7
133.06532	2.2
133.10124	27.4
134.99683	3.9
135.08047	2.0
135.11684	64.2
137.05963	2.0
137.09631	3.9
137.13280	2.5
139.11269	1.3
142.07838	1.1
143.08572	1.9
145.10147	3.7
147.08023	3.1
147.10489	1.5
147.11678	30.6
149.13251	12.0
151.03914	1.1
151.07570	1.2
151.11224	2.5
152.18782	1.0
153.00772	1.8
157.10144	2.0
158.01231	1.7
159.11690	2.9
160.12492	1.2
161.06007	1.9
161.09660	5.0
161.13263	14.9
163.07491	1.6
163.14853	5.6
165.09149	1.6
165.12773	4.3
170.10928	1.5
173.13242	8.1
175.02840	1.4
175.07529	2.1
175.11246	3.3
175.14801	11.6
177.09125	8.3
177.16420	2.8
179.10666	1.2
185.13261	3.6
191.14311	3.1
193.15880	1.5
198.08018	1.2
203.10757	2.0
203.14369	8.0
203.17934	38.5
206.10802	1.2
206.51917	1.2
221.04327	1.4
221.07944	3.0
221.11780	5.6
221.15514	15.6
221.19029	42.7
222.11403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	3.1
55.05504	16.5
56.96559	4.6
57.03426	2.3
57.07067	10.7
59.04977	3.2
63.43002	1.6
67.05496	32.3
69.03417	2.8
69.07063	33.7
70.29293	2.4
70.29713	4.9
71.04986	8.6
71.94524	1.6
79.05487	23.0
81.03400	7.0
81.07048	57.6
83.04982	3.1
83.08610	11.2
85.02907	1.7
85.06527	3.9
85.10158	3.1
91.05449	16.6
93.07030	29.0
94.04195	3.0
95.04958	17.2
95.08596	58.9
97.06503	6.4
97.10170	10.3
98.97549	8.0
99.08099	2.5
103.05442	1.5
105.07018	50.8
107.04954	8.8
107.08580	53.6
107.09281	3.4
109.02851	1.9
109.06509	4.9
109.10143	40.4
111.08058	8.0
111.11697	2.6
116.98605	11.3
117.07037	6.0
119.08572	45.8
120.15148	1.9
121.06503	4.5
121.10123	29.0
123.04441	1.9
123.08068	5.5
123.11681	12.9
125.09603	14.1
129.06996	3.0
131.04947	6.2
131.08554	7.6
133.06514	2.6
133.10106	32.0
134.99628	16.3
135.08049	4.1
135.11671	12.9
137.05960	4.0
137.09567	8.3
137.13239	2.1
139.11182	4.5
142.07791	1.8
143.08533	2.7
145.10129	5.5
147.04454	1.9
147.08047	3.6
147.11678	46.8
149.05949	2.0
149.09534	1.5
149.13249	4.1
151.11168	5.5
153.00702	5.9
157.10135	3.2
158.01254	7.9
161.06055	2.6
161.09679	4.8
161.13231	22.5
163.07568	4.7
163.11198	2.8
163.14803	8.5
165.09111	3.0
165.12723	8.3
173.13220	3.3
175.07518	2.9
175.11145	3.6
175.14818	26.4
176.02235	2.1
177.09131	3.0
177.16374	9.3
179.10719	2.8
181.02849	1.5
185.13223	4.7
193.15788	2.1
203.10667	2.7
203.14342	8.3
203.17940	100.0
206.16205	3.9
221.04308	2.6
221.07826	2.6
221.12074	8.8
221.15382	93.2
221.18977	70.3
222.11311	5.3
222.15358	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0759
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
55.05505	0.8
56.48560	0.2
56.96316	0.2
56.96565	1.2
57.07076	0.4
67.05492	0.7
69.03426	0.5
69.07040	0.3
70.06590	0.9
70.51490	0.6
70.51893	0.5
73.02914	0.3
75.69297	0.2
79.05490	0.6
81.07053	1.0
83.04977	0.6
83.06085	0.3
85.02898	0.3
91.05459	1.6
93.07031	0.4
94.06560	0.3
95.04950	0.6
95.08595	0.6
96.08955	0.4
97.02894	0.4
98.20779	0.3
98.56052	0.3
98.97575	2.4
103.05461	1.9
104.04999	0.3
105.07018	0.9
106.06519	0.7
107.08603	0.7
109.06527	0.4
109.10059	0.4
111.08041	0.4
115.05446	8.7
116.07051	0.8
116.98594	2.4
117.05733	0.6
118.06540	3.4
120.08105	2.3
123.08063	0.3
123.11710	0.3
125.09644	0.4
130.06514	100.0
131.04941	2.8
131.06775	1.4
132.04451	1.0
132.08084	1.2
133.06482	17.2
134.05980	0.4
134.06903	0.3
134.99664	1.9
140.04961	0.3
142.06447	0.4
143.06021	1.7
146.05934	0.3
146.99683	0.5
148.07558	12.0
149.02336	0.4
149.06075	0.3
153.00752	0.3
158.05997	81.1
158.99655	0.7
159.06354	1.2
160.07498	0.4
161.05977	0.4
162.05479	0.7
163.03905	0.5
170.18903	0.3
176.07062	8.3
177.00755	2.1
186.05478	7.3
186.07135	0.4
196.05051	0.3
202.06697	1.1
204.06540	17.6
207.13850	0.5
211.07234	0.6
220.07747	0.7
222.07620	8.3
222.11246	0.9
222.15501	0.4
223.06068	0.5
225.04288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05504	60.6
56.96548	3.0
57.03421	0.6
57.07064	0.9
58.72157	0.6
58.99590	3.3
59.06094	0.9
60.04491	0.6
65.03942	1.3
65.95251	0.6
67.05491	1.7
67.55662	0.6
68.93756	0.6
69.03413	1.8
69.07067	1.0
70.06586	1.0
71.04987	0.7
71.52604	1.2
73.02895	1.5
76.02209	1.3
79.05477	1.5
81.03398	0.9
81.07035	3.9
82.07380	0.8
83.04964	1.2
83.06111	1.1
83.08608	100.0
84.08149	0.7
84.08936	0.9
85.02889	1.4
86.09696	0.7
86.99052	5.0
91.05477	6.8
93.07041	2.2
94.06576	0.6
95.04986	1.1
95.08584	1.9
96.08940	0.7
97.02877	1.8
97.06538	0.7
98.41672	0.6
98.97565	6.3
101.09645	18.7
103.05473	2.6
105.00078	7.7
105.07031	2.8
106.06547	0.9
106.07343	1.0
107.04951	0.9
107.08589	2.7
108.08893	0.6
109.06536	0.8
109.10168	0.8
116.07098	0.8
116.98589	5.7
119.01886	0.8
119.04935	8.7
119.08583	2.2
120.08101	3.1
120.08893	0.8
121.06487	0.6
121.07640	0.7
121.10130	2.1
122.02755	1.3
122.10467	1.1
123.08019	1.1
127.02487	0.7
128.02393	1.2
130.06522	26.3
131.04916	4.7
132.04439	3.7
133.06506	1.7
133.10132	0.9
134.06015	1.0
134.10489	1.0
134.99660	6.0
135.08118	0.7
135.11655	0.7
137.02859	0.9
137.06009	1.1
137.09650	0.9
138.10020	0.9
139.03951	0.8
145.03464	4.3
146.03554	0.6
146.99664	2.0
147.04387	24.0
147.11716	1.2
148.04723	2.1
148.07530	7.1
148.08540	0.8
149.02344	1.8
158.01286	0.8
158.05991	12.7
158.82906	0.7
158.99675	1.8
159.08417	1.1
161.01215	0.8
161.05995	0.8
162.05521	2.1
162.13591	0.9
162.99062	0.9
163.03905	1.1
163.07538	3.0
164.08217	0.7
166.04993	0.7
167.72154	0.6
168.05055	0.8
168.80136	0.6
169.03438	4.4
170.03549	0.7
171.05035	0.9
176.07050	28.0
176.15192	1.0
177.00659	3.7
187.04517	7.5
188.04613	0.7
190.04984	1.9
204.06651	2.1
205.08917	23.1
206.16887	0.6
210.06371	2.6
215.04108	1.1
222.07607	9.8
222.11269	8.8
222.13309	1.2
222.15717	1.3
223.06049	1.4
223.13356	1.3
225.04192	0.9
227.02361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01872	3.1
55.05497	3.5
56.96282	1.6
56.96562	32.4
57.03424	2.9
57.07065	4.0
58.99850	1.7
59.04998	1.1
60.04510	2.3
60.05650	1.2
61.02920	1.6
67.05495	4.8
69.03426	6.0
69.03745	1.2
69.07054	5.1
70.06590	7.6
70.36918	2.5
70.37325	1.5
70.98144	1.1
71.04991	2.8
71.08646	1.3
72.08134	3.2
73.02914	6.5
74.97604	1.4
77.00882	1.8
79.05473	4.2
81.03397	3.0
81.07053	7.7
82.01460	2.0
83.04974	4.2
83.08611	1.4
84.04483	2.1
84.08132	10.0
84.96024	2.9
85.02890	6.7
86.09680	5.4
91.05453	6.1
93.07057	7.6
95.04968	3.8
95.08606	5.8
97.02881	7.4
97.06528	2.4
98.97568	10.0
99.04422	1.5
100.02465	17.6
102.96876	2.1
103.05439	1.5
105.07002	5.2
107.04961	4.3
107.08587	5.7
109.02842	1.8
109.06519	2.6
109.10151	1.6
111.04443	1.9
111.08070	3.2
112.07568	1.7
113.00871	2.9
116.00217	1.7
116.98623	12.7
117.06973	1.6
118.03510	14.6
119.01914	8.2
119.04923	1.5
119.08543	3.1
120.01999	1.6
120.97838	1.4
121.02827	1.8
121.06503	3.1
121.10164	5.2
122.02745	2.0
123.08102	5.0
125.05992	2.4
127.03904	2.2
128.02321	1.6
128.98576	2.6
129.10214	3.5
130.08684	1.9
131.01895	46.0
131.04965	1.3
131.08504	1.5
133.01718	1.7
133.03467	5.0
133.10117	2.0
134.01297	1.2
134.99643	14.6
135.04367	3.1
135.08054	2.6
135.11661	2.6
136.04588	1.6
137.02916	3.5
137.06009	2.1
137.09540	1.2
138.98956	2.5
139.07565	2.5
139.11188	1.3
142.03488	2.7
144.99821	3.1
145.10118	3.7
146.99646	6.7
147.03168	1.5
147.04317	2.8
147.08017	1.5
147.11601	1.0
149.03119	34.4
149.09607	2.2
151.04555	5.0
153.00710	1.5
154.03487	49.1
156.05042	8.0
158.01237	2.1
158.99672	5.5
159.01334	2.4
159.11670	2.9
160.04590	1.1
160.53661	1.3
161.01237	2.4
161.02968	1.6
161.13319	1.4
162.03091	1.7
163.02679	1.3
163.03877	2.4
163.11221	3.6
163.14926	1.5
165.00717	2.2
165.09088	2.3
167.07021	3.2
168.01433	4.4
172.04544	27.3
173.01263	1.3
173.24243	1.1
174.03592	1.9
174.06094	6.0
175.02843	1.4
176.03964	1.9
177.00713	15.4
177.02443	33.8
177.05185	3.9
177.08995	1.7
177.10399	1.4
177.12666	2.3
181.00020	1.4
182.02989	17.7
187.11238	1.4
190.02663	2.1
191.05688	5.0
193.00124	2.6
193.03783	1.6
195.01761	3.2
195.03503	15.8
200.04033	100.0
201.00720	2.3
201.02467	2.1
201.04268	3.9
205.09830	2.3
205.12273	4.1
205.15919	1.3
218.03035	2.4
218.05089	37.0
219.01746	3.9
219.05243	1.9
223.05869	18.9
223.10988	4.6
223.13304	6.4
223.16960	8.9
223.20522	1.3
225.04291	18.9
227.02184	9.1
237.02824	2.5
241.06783	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	223.1325
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.99964	1.5
53.03929	4.2
55.01861	8.8
55.05499	19.0
56.96535	4.6
57.03404	6.0
57.07044	6.0
65.03929	3.4
67.05492	46.6
69.03401	4.6
69.07053	19.7
71.04967	5.4
71.62332	2.6
73.02886	3.5
79.05058	2.8
79.05480	37.1
81.03411	16.4
81.07047	46.6
83.01311	1.7
83.04966	23.0
83.08607	13.2
85.02885	13.9
85.06514	4.1
91.05463	40.7
93.06476	2.6
93.07030	43.4
94.04157	3.2
95.04952	82.9
95.08589	26.5
97.02880	1.8
97.06492	14.8
99.04438	2.4
99.08049	4.2
103.05427	1.9
105.04530	1.8
105.07008	21.0
107.04936	15.4
107.08569	20.6
109.02865	3.8
109.06496	11.7
109.10131	8.4
111.04428	11.4
111.08036	7.8
116.98645	2.8
117.06995	31.8
119.04951	2.3
119.08548	9.6
121.02799	2.2
121.06499	13.2
121.10126	16.0
123.04415	4.1
123.08063	8.5
123.11665	2.1
125.05978	5.6
125.09588	2.7
127.07486	3.1
128.06209	2.2
129.07007	3.9
131.08531	21.7
133.06458	2.2
133.10112	14.1
134.99672	4.0
135.04359	2.0
135.07993	5.0
135.11664	12.4
137.05907	4.9
137.09607	3.1
139.07492	3.8
140.61699	1.8
141.06908	6.0
143.08502	4.0
144.09300	1.9
145.06438	3.5
145.10083	16.2
147.08014	5.9
147.11679	1.8
149.02322	34.4
149.05962	2.7
149.09557	2.5
149.13237	11.7
151.07489	2.0
157.10065	1.9
159.08025	2.0
159.11644	23.0
161.09509	2.3
162.03062	2.3
163.11137	19.6
167.06984	3.9
169.10109	5.6
177.05363	1.8
177.12712	19.9
181.12161	2.3
182.07642	1.9
187.11168	11.3
187.14861	2.3
190.02415	2.0
205.12198	39.1
205.15843	3.4
205.51079	1.7
208.03752	1.8
223.05879	14.9
223.07895	2.9
223.13223	100.0
223.16847	11.7
223.20483	6.6
225.04216	6.4
227.02016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03930	0.6
53.59848	0.2
55.01865	1.4
55.05256	0.4
55.05505	5.0
56.96545	0.3
57.03408	0.3
57.07045	0.8
59.04990	0.3
65.03928	0.6
66.04705	0.3
66.45862	0.2
67.05160	0.4
67.05494	5.0
69.03416	0.6
69.06705	0.4
69.07056	4.7
69.58416	1.9
71.04974	0.5
73.02903	0.3
79.05482	3.1
80.51453	0.2
81.03407	7.9
81.07049	3.9
83.04967	1.0
83.08616	2.9
85.02898	0.3
85.06500	0.3
87.08112	0.3
91.04951	0.3
91.05473	2.6
93.07038	2.6
94.04174	3.1
95.04958	14.0
95.08598	2.2
95.51337	0.2
97.02863	0.2
97.06503	0.6
100.22626	0.2
105.07014	1.6
107.04943	4.6
107.08584	1.4
109.06484	1.1
109.10187	0.5
111.04435	0.2
111.08068	0.5
116.98579	0.3
117.07015	1.2
119.08559	1.0
121.06468	1.0
121.10130	0.9
123.08038	1.0
125.09614	0.3
131.08533	1.2
133.10114	0.5
134.99606	0.4
135.08026	0.6
135.11696	0.6
137.09605	0.3
139.11128	0.2
143.08505	0.3
145.06482	0.7
145.10104	1.2
145.68631	0.2
147.08005	0.4
147.11588	0.3
149.02330	3.8
149.09596	0.3
149.13214	0.3
159.11667	0.6
161.09671	0.3
161.13225	0.4
162.03024	0.3
163.11148	1.7
165.07118	0.2
167.07030	0.4
167.10719	0.2
177.12766	0.8
185.56784	0.2
187.11160	0.7
190.02615	0.3
191.07068	0.3
205.12196	1.8
205.15877	0.3
223.06093	1.4
223.13261	100.0
224.13640	2.6
225.04256	0.7
227.02066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99964	1.5
53.03929	4.2
55.01861	8.8
55.05499	19.0
56.96535	4.6
57.03404	6.0
57.07044	6.0
65.03929	3.4
67.05492	46.6
69.03401	4.6
69.07053	19.7
71.04967	5.4
71.62332	2.6
73.02886	3.5
79.05058	2.8
79.05480	37.1
81.03411	16.4
81.07047	46.6
83.01311	1.7
83.04966	23.0
83.08607	13.2
85.02885	13.9
85.06514	4.1
91.05463	40.7
93.06476	2.6
93.07030	43.4
94.04157	3.2
95.04952	82.9
95.08589	26.5
97.02880	1.8
97.06492	14.8
99.04438	2.4
99.08049	4.2
103.05427	1.9
105.04530	1.8
105.07008	21.0
107.04936	15.4
107.08569	20.6
109.02865	3.8
109.06496	11.7
109.10131	8.4
111.04428	11.4
111.08036	7.8
116.98645	2.8
117.06995	31.8
119.04951	2.3
119.08548	9.6
121.02799	2.2
121.06499	13.2
121.10126	16.0
123.04415	4.1
123.08063	8.5
123.11665	2.1
125.05978	5.6
125.09588	2.7
127.07486	3.1
128.06209	2.2
129.07007	3.9
131.08531	21.7
133.06458	2.2
133.10112	14.1
134.99672	4.0
135.04359	2.0
135.07993	5.0
135.11664	12.4
137.05907	4.9
137.09607	3.1
139.07492	3.8
140.61699	1.8
141.06908	6.0
143.08502	4.0
144.09300	1.9
145.06438	3.5
145.10083	16.2
147.08014	5.9
147.11679	1.8
149.02322	34.4
149.05962	2.7
149.09557	2.5
149.13237	11.7
151.07489	2.0
157.10065	1.9
159.08025	2.0
159.11644	23.0
161.09509	2.3
162.03062	2.3
163.11137	19.6
167.06984	3.9
169.10109	5.6
177.05363	1.8
177.12712	19.9
181.12161	2.3
182.07642	1.9
187.11168	11.3
187.14861	2.3
190.02415	2.0
205.12198	39.1
205.15843	3.4
205.51079	1.7
208.03752	1.8
223.05879	14.9
223.07895	2.9
223.13223	100.0
223.16847	11.7
223.20483	6.6
225.04216	6.4
227.02016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02361	0.1
52.18513	0.1
53.03934	0.4
55.01870	1.2
55.05503	4.3
57.03422	0.3
57.07061	0.2
59.04990	0.1
61.44616	0.1
61.78954	0.1
65.03930	0.6
67.05495	5.3
69.03414	0.5
69.07059	3.5
70.58284	0.3
71.04977	1.2
72.42890	0.1
73.06541	0.2
78.72165	0.1
78.79288	0.1
79.05479	3.9
81.03409	3.6
81.07044	8.3
83.04966	1.6
83.08607	1.9
85.02892	2.5
85.06535	0.6
87.04458	0.2
87.08080	0.3
91.05466	3.4
93.07036	3.9
94.04180	0.2
95.04955	100.0
95.08587	4.6
96.05284	0.8
97.06493	0.8
99.04433	0.2
99.08089	0.5
103.05451	0.2
105.07013	2.6
107.04954	1.0
107.08585	2.1
109.06503	3.2
109.10139	0.4
111.04430	0.2
111.08061	0.3
115.05426	0.1
117.07001	2.4
119.08560	3.1
121.06478	2.6
121.10131	2.2
123.08051	3.6
125.05973	0.2
128.06230	0.2
129.06984	0.9
130.07755	0.5
131.08543	1.1
133.10110	0.9
135.08034	1.2
135.11674	2.5
137.09587	0.2
141.06947	0.4
141.09087	0.4
143.08511	1.0
145.06436	0.4
145.10097	6.0
145.65663	0.1
146.12624	0.1
147.06905	0.3
147.08029	3.8
147.11716	0.2
149.02345	0.7
149.09552	0.3
149.13231	0.4
154.07761	0.3
159.08025	0.2
159.11671	1.8
161.09602	1.2
163.11154	15.0
164.11562	0.2
165.09114	0.3
169.10152	0.8
177.12761	1.5
187.11150	2.2
187.14763	0.3
196.18323	0.1
205.12201	2.3
205.15851	0.5
223.05922	0.3
223.13246	5.5
223.16869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03942	0.6
55.01858	0.9
55.05256	0.3
55.05507	4.0
56.96561	1.6
57.03431	0.3
65.03928	0.7
67.05497	5.0
67.36246	0.2
69.03413	0.4
69.07063	4.8
69.93047	0.7
69.93449	0.6
71.04982	1.1
73.02904	0.2
79.05478	3.8
79.05903	0.4
81.03406	3.5
81.07048	7.9
83.04974	1.7
83.08610	1.8
85.02898	3.3
85.06513	0.4
87.04459	0.3
91.05463	3.4
93.07044	3.2
94.04182	0.4
95.04958	100.0
95.08595	4.7
96.05279	0.7
97.02267	0.2
97.06525	1.2
99.08119	0.4
105.07007	2.7
107.04946	0.9
107.08585	2.1
109.06489	2.9
111.08090	0.4
117.07009	1.6
119.08566	3.2
121.06486	2.7
121.10138	1.9
123.08057	3.5
124.83150	0.2
128.06158	0.3
129.07040	1.0
129.83853	0.2
130.07785	0.3
131.08563	1.0
133.10150	0.7
135.08075	1.1
135.11674	3.2
141.06998	0.5
143.08557	0.7
145.06482	0.4
145.10094	5.6
147.08041	3.7
149.02325	0.9
149.05414	1.3
149.09586	0.3
149.13300	0.3
154.07764	0.3
158.05922	3.1
158.56151	0.3
159.11668	1.4
160.56241	0.5
161.09589	1.1
162.03204	0.3
163.11162	15.1
165.06726	0.4
165.09067	0.4
169.10147	0.7
169.56699	0.6
175.02821	0.3
175.08763	1.0
177.12712	1.8
181.07527	0.3
182.09628	0.3
184.09366	1.0
184.59543	0.3
186.59593	0.4
187.11133	2.3
191.10170	0.9
191.60327	0.3
193.09854	1.2
200.10664	0.3
202.60893	0.3
204.60616	0.6
205.12213	2.6
223.05931	0.7
223.13272	6.2
223.16887	0.6
238.31384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03935	5.8
55.01865	4.5
55.05494	7.9
56.30773	1.5
56.96564	4.0
57.03425	2.0
57.07067	3.8
57.65393	1.2
59.04992	7.0
65.03946	1.5
67.05492	10.6
69.03433	13.2
69.07056	8.1
71.04980	3.0
71.34369	2.2
73.02893	1.9
79.05481	10.7
81.03417	1.9
81.07052	11.5
83.04972	24.8
83.08626	3.7
84.08129	4.5
85.02915	3.2
85.06530	4.3
86.09701	3.7
90.19337	1.5
91.05470	36.3
93.07034	90.3
95.04954	25.1
95.08595	11.0
97.06520	7.8
98.97571	8.3
101.06032	2.1
103.05463	6.0
105.03394	3.1
105.07029	18.1
107.04938	4.9
107.08590	22.1
109.06522	12.5
109.10142	3.8
111.04481	1.6
111.08047	8.2
113.06008	4.1
115.05406	1.8
115.37724	1.4
116.98597	3.6
117.06992	10.6
119.04914	3.2
119.08551	13.0
121.02863	4.1
121.06488	100.0
121.10122	19.3
123.04443	1.9
123.08073	4.4
123.11724	2.1
124.08794	1.5
125.05999	1.6
125.09630	4.1
127.07560	8.9
129.06996	6.5
130.07747	2.8
131.04889	2.1
131.06860	2.2
131.08539	10.9
133.10117	8.1
134.99657	4.6
135.04451	1.8
135.08031	10.4
135.11681	6.5
137.06047	2.1
137.09592	4.8
139.07535	11.9
139.11139	1.5
140.26321	1.5
142.07761	3.2
143.08594	1.4
144.09337	5.0
145.06480	3.6
145.10091	9.1
147.04404	3.2
147.08046	6.0
147.11673	3.3
149.02304	14.5
149.06053	2.8
149.09605	55.9
151.11150	1.6
153.09097	11.2
154.07785	2.3
154.09256	1.5
157.10114	5.0
158.99634	3.1
159.08073	3.2
159.11661	23.4
161.06007	2.1
161.09610	5.2
162.03105	2.4
163.03917	2.0
163.07487	3.7
163.11172	13.2
165.09076	4.6
167.07021	3.5
169.10092	2.8
172.08838	4.6
175.11169	16.3
177.00717	5.1
177.05353	1.7
177.07455	1.9
177.09050	1.7
177.12752	12.3
179.10678	5.8
187.11165	20.6
193.12225	5.0
205.08253	1.9
205.12210	28.8
207.03001	2.0
208.03632	1.6
223.05940	13.2
223.09642	3.2
223.13313	42.8
223.16862	5.2
223.20535	2.0
225.04251	8.3
227.02145	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	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03919	1.9
55.01854	3.5
55.05506	8.4
56.96543	2.7
57.03412	2.6
57.07061	1.7
59.04979	2.5
61.02897	1.2
67.05496	7.1
69.03432	10.7
69.07040	3.8
70.87888	3.8
71.04968	3.9
79.05479	7.9
81.03398	4.1
81.07056	10.8
83.04973	15.0
83.08598	1.2
85.02888	14.4
85.06551	5.5
91.05466	15.3
93.07032	31.2
95.04953	16.0
95.08607	9.6
97.02863	3.1
97.06510	2.0
97.10134	3.9
98.97572	7.8
100.26908	0.9
101.05972	1.5
105.07007	17.6
107.04948	2.5
107.08575	17.3
109.06501	46.8
109.10173	5.3
111.04412	1.5
111.08096	6.5
113.05992	13.6
116.98597	6.4
117.06972	5.3
119.08568	17.8
121.06496	43.3
121.10121	16.0
123.04378	1.6
123.08040	9.8
123.11701	1.9
125.05933	1.9
125.09595	2.5
128.06180	2.8
129.06953	2.3
130.07753	2.7
131.04984	1.2
131.08572	5.7
133.10123	13.1
134.99648	2.4
135.08041	26.4
135.11682	8.7
137.05937	2.4
137.09607	14.6
139.07512	8.1
143.08537	2.6
144.09276	3.2
145.06450	1.3
145.10089	11.4
146.07297	3.0
147.08066	6.2
149.02286	3.2
149.05956	3.0
149.09598	100.0
150.09917	1.7
151.11121	8.7
153.09094	3.4
158.99628	2.5
159.11682	15.2
161.09589	25.9
162.64226	1.1
163.07469	1.5
163.11165	18.5
165.09105	12.5
167.07056	6.3
167.08224	1.3
169.10158	1.2
172.08800	2.9
173.13222	1.5
175.07555	1.3
175.11162	2.8
177.00674	4.6
177.09074	1.8
177.12733	20.2
179.10657	31.3
187.11166	18.6
191.14302	1.1
193.12173	1.6
195.13803	2.0
205.12215	44.7
206.12598	1.5
223.13260	53.2
223.16809	2.6
224.13376	1.5
225.04315	1.9
227.02103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03936	2.1
54.33775	1.5
55.01854	3.1
55.05499	8.7
56.96537	1.6
57.03429	3.1
58.38510	1.5
59.04976	1.5
59.75695	1.3
60.54768	1.3
67.05497	7.5
67.66962	1.3
69.03426	9.8
69.07053	4.7
70.67587	4.4
71.04972	4.4
79.05479	7.1
81.03404	4.3
81.07056	9.9
83.04970	15.4
83.08568	1.5
85.02906	11.7
85.06519	5.4
91.05465	16.5
93.07039	31.5
95.04955	17.8
95.08601	7.9
97.06541	2.9
97.10149	3.0
98.21237	2.9
98.97569	7.4
103.05428	2.0
105.07019	18.2
107.04969	2.2
107.08584	17.4
109.06502	44.7
109.10132	7.0
111.08036	8.4
113.05988	13.2
115.05321	1.8
116.98600	4.3
117.06998	5.4
119.08581	14.0
121.06485	44.7
121.10117	17.1
122.07304	1.6
123.04418	3.2
123.08047	11.9
123.11638	3.7
125.09608	2.1
128.06206	2.2
129.06992	2.4
131.08568	7.3
133.10107	18.8
134.99628	2.4
135.08041	29.1
135.11653	7.4
137.05949	2.3
137.09590	14.2
139.07530	7.5
143.08534	3.9
144.09386	3.4
145.06520	2.6
145.10086	14.1
146.07202	3.7
147.08038	6.7
147.11626	2.4
149.02324	4.0
149.05965	3.7
149.09602	100.0
149.13156	2.6
151.11145	10.3
151.26488	1.4
153.09081	2.4
158.99652	2.1
159.08080	2.0
159.11685	18.4
160.69279	1.4
161.09602	27.6
163.07562	1.9
163.11162	19.9
165.09093	14.3
167.06995	6.1
167.08228	1.4
172.08781	5.4
177.00705	4.7
177.12721	18.8
179.10641	26.6
181.08592	1.8
181.12300	2.1
187.11177	14.2
197.13808	1.4
205.12216	43.3
212.81316	1.5
223.05962	2.8
223.11105	2.6
223.13266	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	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03931	2.8
53.60134	1.9
55.01872	4.2
55.05508	23.5
56.96547	4.7
57.03426	5.5
57.07067	3.2
59.04980	7.8
61.02900	2.1
63.59074	1.8
67.05478	7.9
69.03425	12.4
69.07063	10.7
69.80828	8.7
69.81237	3.4
71.04972	5.7
72.08121	2.4
73.91161	2.2
77.03430	1.9
79.05469	9.6
81.03392	6.6
81.07034	13.9
83.01339	3.0
83.04974	20.8
85.02891	38.8
85.06534	3.8
89.06011	5.7
91.05457	16.0
93.06464	2.5
93.07039	35.8
95.04969	16.1
95.08582	14.0
97.02907	2.8
97.06506	4.9
97.10158	20.3
98.21519	3.7
98.97584	16.3
105.07030	16.2
107.04914	3.6
107.08585	18.9
109.06497	19.8
109.10127	4.5
110.01180	1.8
111.08063	15.0
113.05961	4.7
116.98627	11.2
117.07014	4.7
119.08551	14.4
121.06503	49.7
121.10128	13.6
123.08045	19.5
123.11710	9.8
125.05907	4.2
125.09592	5.6
127.07603	3.3
129.06993	2.6
129.10294	1.8
130.07819	2.1
131.08545	5.3
133.10107	13.4
134.99658	3.4
135.04410	3.9
135.08035	17.9
135.11674	18.3
136.63521	1.8
137.05960	2.8
137.09618	10.1
139.07545	11.9
143.08606	2.5
144.09320	2.9
145.06531	2.4
145.10085	12.2
147.08029	5.2
149.02367	11.0
149.05952	3.3
149.09607	38.8
149.13235	4.9
151.07524	3.9
151.11179	3.4
153.09090	8.4
158.99657	5.2
159.11684	19.4
161.09564	10.8
162.03099	2.1
163.03920	10.4
163.11142	18.9
165.09106	11.1
167.07056	5.1
170.30196	2.0
172.08771	2.8
175.11172	2.8
177.00745	9.7
177.05478	3.0
177.12708	22.1
179.10628	13.6
181.12225	3.1
187.11131	9.6
190.02551	2.3
193.12297	2.4
195.13783	4.2
205.12227	39.9
223.06017	7.6
223.13266	100.0
223.16893	6.5
224.13530	2.1
225.04228	6.2
227.02185	4.6
227.41507	2.0
243.14369	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.0
51.49448	1.0
53.03943	40.5
55.01873	8.7
55.05500	6.8
56.96564	1.4
57.03431	1.6
57.07075	2.0
63.80965	1.0
65.03929	3.8
67.05500	61.7
69.03422	2.9
69.07063	7.6
70.21977	4.5
71.01350	1.8
71.04984	4.8
76.93716	1.0
78.74398	0.9
79.05489	33.0
81.03411	100.0
81.07050	79.9
82.03715	1.2
83.04968	11.7
83.08604	3.9
85.02889	2.1
85.06535	2.2
91.05473	19.3
93.07040	37.6
95.04964	30.5
95.08598	42.1
97.02879	1.6
97.06531	5.6
99.08112	1.5
103.05455	2.4
105.07016	15.7
107.04945	27.6
107.08590	16.1
109.06512	4.0
109.10146	5.1
111.04420	1.3
111.08069	3.5
113.05951	1.0
115.05479	1.5
117.07011	13.8
119.08561	5.7
121.06489	14.5
121.10130	6.9
123.04413	3.1
123.08055	29.5
125.06000	1.3
128.06256	1.3
129.07018	1.9
131.04945	1.8
131.08560	15.0
133.06467	4.1
133.10130	6.7
134.99673	2.1
135.08052	4.8
135.11673	21.1
139.07533	1.1
141.06992	8.5
143.08569	3.0
145.06470	16.5
145.10114	5.6
149.02318	13.9
149.09624	1.6
149.13249	5.8
154.07703	1.6
157.49466	0.9
159.08037	4.7
159.11699	17.3
161.09576	1.2
162.03136	1.9
163.11166	5.2
163.14777	1.3
165.06923	1.4
165.09105	1.3
169.10144	7.6
177.05469	2.1
177.12735	7.3
179.08566	1.6
181.10077	2.3
187.11185	11.2
187.14754	1.8
190.02667	1.5
191.14082	1.0
193.10144	3.5
195.13815	1.4
205.12257	3.1
205.15883	2.4
208.03673	1.2
208.12451	2.2
223.02425	1.2
223.06010	7.4
223.13260	6.8
223.14836	6.0
223.16962	7.6
223.20557	1.3
225.04312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03925	5.3
55.01856	4.8
55.05503	12.1
56.96564	8.6
57.03414	4.0
57.07072	10.7
59.04996	9.4
63.49940	1.5
65.03912	2.3
67.05504	17.4
69.03429	16.1
69.07068	9.3
71.04974	4.0
71.60998	2.8
72.08133	1.6
73.02898	4.1
79.05137	1.6
79.05496	18.4
81.03379	5.7
81.07056	15.8
83.04973	29.5
83.08582	4.2
84.08098	2.6
85.02863	4.5
85.06498	4.4
86.09658	2.3
87.04442	2.4
91.05464	42.4
93.07036	99.9
95.04963	29.6
95.08596	18.7
97.02851	5.0
97.06505	11.3
98.97566	12.7
99.04430	3.9
99.08051	3.1
103.05434	5.6
105.04472	2.0
105.07024	25.9
107.04929	6.5
107.08582	29.4
109.06485	16.1
109.10159	9.0
111.04423	1.8
111.08092	10.7
113.05968	3.8
115.05453	2.3
116.98641	11.5
117.07013	13.3
119.04886	4.8
119.08566	24.5
120.08080	2.9
121.02827	6.5
121.06496	100.0
121.10132	27.0
122.07102	1.8
123.04376	4.6
123.08073	13.5
123.11658	2.6
125.05949	7.2
125.09592	5.7
127.07564	8.6
127.08403	1.5
129.06992	7.4
129.10216	3.5
130.06525	1.9
130.07739	2.3
130.71434	1.6
131.04895	4.2
131.06847	4.6
131.08546	17.1
133.06480	3.8
133.10097	11.9
134.99652	11.7
135.04404	2.7
135.08055	19.0
135.11703	13.6
137.05956	3.9
137.09604	8.7
139.07552	14.0
142.07732	3.1
143.08479	4.7
144.09293	4.4
145.06453	4.2
145.10115	16.3
147.04338	5.3
147.08018	10.0
147.11612	6.2
148.04755	1.8
149.02315	32.4
149.05971	10.9
149.09604	50.5
149.13222	4.3
151.03891	2.7
151.11092	3.3
153.09126	10.5
157.08801	1.8
157.10114	9.1
158.99617	5.9
159.07964	4.3
159.11687	25.7
161.05927	2.9
161.09592	7.9
162.03096	3.7
163.03813	3.9
163.07477	6.2
163.09834	2.6
163.11160	22.8
164.08170	2.1
165.09084	8.1
165.12753	2.3
167.03430	2.2
167.06992	8.2
167.08397	2.3
167.10609	2.5
169.10040	2.1
172.08751	5.4
173.13174	4.3
175.11163	19.7
177.00687	11.1
177.05423	6.0
177.07309	4.7
177.09015	3.9
177.12724	19.9
179.10614	9.2
181.12193	2.4
182.05116	1.9
187.11174	21.2
187.14696	2.6
190.02502	3.2
193.12219	5.3
195.01704	2.0
205.08405	3.4
205.12216	35.3
206.01736	1.9
208.03627	3.1
214.08583	3.8
219.01776	1.8
223.05925	16.5
223.09415	6.4
223.11418	3.8
223.13239	65.7
223.16638	15.8
223.20451	5.5
224.13614	1.8
225.04259	17.6
227.02184	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	223.169
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.10255	3.2
52.12507	2.7
55.05513	13.4
56.96560	6.7
57.03421	7.8
57.07063	7.8
59.05003	4.8
63.78105	2.5
64.89628	2.7
67.05497	14.8
69.07063	32.1
69.96867	16.3
71.04972	5.1
76.90688	2.7
79.05483	18.2
81.03390	3.0
81.07043	36.3
83.04969	4.4
83.08604	10.3
87.04473	3.3
91.05479	20.2
93.07039	31.5
95.04972	30.7
95.08598	42.2
97.06516	5.8
98.20805	3.6
99.08074	8.3
105.07020	52.2
107.04898	3.1
107.08579	74.0
109.06509	13.4
109.10158	28.6
111.08080	5.8
117.07005	8.7
119.08569	39.1
121.06510	14.6
121.10130	72.3
123.08064	16.7
123.11670	11.3
131.08577	21.6
133.10129	27.1
135.08014	12.1
135.11685	18.3
137.09557	3.9
137.13264	5.7
143.08589	4.8
145.10121	73.6
147.07983	3.3
147.11681	46.1
148.01495	3.0
149.02333	9.6
149.09547	13.9
149.13234	30.1
151.11176	3.8
157.10071	3.9
158.10905	2.9
159.11707	16.4
160.32745	3.1
161.13237	22.3
163.11151	21.4
163.14812	90.5
165.12820	3.8
172.12451	5.8
175.14897	5.7
177.12759	3.3
177.16345	26.0
187.14801	67.2
205.15865	100.0
212.10590	8.9
223.06053	6.1
223.13268	6.3
223.15039	3.0
223.16907	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	223.1689
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03936	6.2
55.01863	4.3
55.05501	15.0
56.96548	2.4
57.03420	5.1
57.07052	7.5
59.04990	2.7
65.03915	2.6
67.05497	24.4
69.03411	2.8
69.07055	20.9
71.04980	5.1
71.08633	1.4
71.63667	2.1
73.02928	1.5
79.05482	17.9
81.03407	13.1
81.07047	36.7
83.04974	7.7
83.08616	8.9
85.02892	4.6
85.06535	2.9
87.04451	2.1
90.42508	1.2
91.05460	13.8
93.07034	29.0
95.04956	100.0
95.08595	34.2
97.06509	6.1
97.10169	1.6
99.04476	1.4
99.08093	4.4
103.05462	1.4
105.07017	30.0
107.04976	6.3
107.08575	41.6
109.06484	8.9
109.10141	14.4
111.08066	6.0
116.98666	2.0
117.06998	8.8
119.08559	23.2
119.09334	1.7
121.06472	7.4
121.10127	37.2
123.08058	14.4
123.11690	8.5
125.05946	2.2
125.09618	1.5
130.07779	3.4
131.08562	14.3
133.10106	13.1
134.99661	2.7
135.08034	8.7
135.11668	12.2
137.09636	3.6
139.07477	1.7
141.07001	1.3
143.08557	2.7
144.09277	2.2
145.06503	2.5
145.10104	42.7
147.07033	1.1
147.08000	6.2
147.11667	19.4
149.02327	18.2
149.09619	8.8
149.13255	17.0
151.11174	2.4
157.10130	2.3
158.10852	1.5
159.11668	9.7
161.09601	3.3
161.13216	13.4
163.11154	22.8
163.14795	40.2
165.09157	1.8
165.12781	1.2
167.10652	1.7
169.10149	1.8
172.12480	2.7
172.21672	1.2
173.13248	1.8
175.14841	4.3
177.05481	1.8
177.12778	6.6
177.16350	13.9
179.08815	1.0
181.12364	1.2
187.11177	4.2
187.14780	33.2
188.86768	1.6
190.02620	1.6
195.13789	1.6
205.12276	7.1
205.15848	47.2
223.05930	7.2
223.13264	22.9
223.16844	36.6
223.20322	1.9
225.04300	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
52.00512	1.3
53.03947	3.1
55.01865	2.8
55.05296	1.4
55.05506	15.0
56.96546	4.7
57.03431	8.9
57.07072	8.8
59.04979	5.0
63.29096	1.3
65.03922	2.1
67.05158	2.0
67.05498	29.7
69.03416	5.6
69.07060	33.2
70.76946	3.8
71.04971	3.7
71.08609	1.6
79.05483	21.1
81.03399	1.6
81.07051	66.3
83.04976	7.4
83.08618	12.7
85.02905	1.9
85.06534	6.1
87.04478	6.4
91.05470	18.7
91.37404	1.3
93.06454	2.2
93.07040	45.2
95.04961	23.0
95.08600	76.9
97.06534	8.4
97.10145	2.6
99.08088	8.6
105.07020	67.5
107.04272	1.2
107.04944	4.3
107.08586	93.8
108.64299	1.2
109.06496	13.4
109.09438	2.4
109.10146	37.4
111.08070	7.9
117.07001	11.2
119.08573	52.5
121.06515	15.9
121.10130	84.1
123.07280	1.9
123.08070	20.2
123.11708	20.0
125.09626	2.2
129.06982	3.0
130.07741	3.8
131.08568	28.1
133.10127	29.2
135.08047	19.1
135.11679	22.1
137.09619	3.9
137.13249	8.1
139.07513	2.1
143.08534	5.8
144.09332	2.6
145.10104	96.3
147.08012	2.6
147.11673	50.0
149.02333	10.5
149.08534	1.6
149.09610	16.9
149.13248	35.7
151.11163	3.1
153.09050	1.7
157.10088	5.0
158.10863	5.5
159.11674	18.5
161.09567	1.6
161.13234	30.4
162.10425	1.5
163.11179	23.6
163.14809	92.2
165.12724	4.3
167.10663	3.7
171.38042	1.3
172.12456	6.4
175.08867	1.7
175.14822	8.7
176.11885	1.4
177.12735	4.9
177.16391	28.0
187.14812	84.7
190.02620	1.5
191.10167	3.2
193.10088	1.5
200.10663	2.3
202.60846	2.2
205.15865	100.0
206.16202	1.9
223.05867	8.5
223.13615	6.6
223.16902	72.6
224.17259	2.1
225.04193	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	223.169
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03936	3.8
55.01863	4.7
55.05491	14.9
57.03414	10.7
57.03758	3.5
57.07068	10.2
59.04995	6.7
67.05492	20.0
69.03411	7.1
69.07058	24.1
69.33733	28.4
69.34153	12.3
71.04994	8.7
71.45918	4.1
73.02906	3.8
78.49294	3.9
79.05478	14.6
81.07043	37.7
83.04959	14.8
83.08604	11.2
85.06530	5.1
87.04436	9.2
91.05464	17.3
93.07031	33.3
95.04958	57.3
95.08593	50.4
97.06512	5.5
97.27495	3.5
98.20835	12.2
98.21503	7.8
99.08070	9.4
105.07012	53.5
107.04948	5.3
107.08586	77.5
109.06500	16.6
109.10135	31.5
111.08047	10.5
117.06989	7.8
118.67197	4.1
119.08571	43.8
121.06474	12.4
121.10134	81.1
123.08044	20.7
123.11674	17.2
131.08560	19.4
133.10117	18.7
135.08038	18.1
135.11703	23.8
137.09579	8.4
137.13240	9.1
143.08542	9.2
145.10107	84.4
147.08051	7.5
147.11659	50.5
149.02325	45.0
149.09575	14.7
149.13235	40.5
157.10139	4.9
159.11668	14.3
161.13202	26.6
163.11137	23.9
163.14815	79.2
165.12746	3.7
167.10686	5.4
172.12428	9.7
175.14825	5.8
177.12764	5.3
177.16365	29.7
187.14810	84.3
205.15854	100.0
223.05959	16.0
223.11307	4.6
223.13300	10.2
223.16893	80.4
223.20496	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	223.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14495	4.8
55.05507	50.8
56.05023	13.3
57.07073	34.1
59.06111	19.1
59.58877	4.9
61.80324	5.5
63.86631	4.9
65.48497	5.1
67.05498	13.9
68.05015	8.3
69.04564	5.4
69.07063	100.0
69.63153	38.6
70.06576	23.7
71.04963	6.5
71.06112	7.0
71.08607	18.1
72.08147	9.3
72.32397	5.2
79.05492	5.3
79.60718	4.8
81.04523	10.1
81.07061	9.2
82.06564	7.4
83.04996	7.5
83.05595	4.8
83.06090	15.5
83.08606	59.3
84.08112	6.1
85.07673	12.7
85.10163	11.7
87.05598	5.7
88.86764	5.7
91.05439	5.6
93.07029	8.9
95.04951	7.6
95.06076	25.5
95.08598	11.5
97.07645	34.2
97.10162	50.3
98.06014	4.7
98.07170	11.8
99.05566	4.7
107.08581	9.6
109.06486	5.7
109.07618	14.7
109.10136	6.4
110.07154	27.8
111.05558	7.0
111.06703	5.4
111.08025	8.3
111.09196	17.6
111.11699	27.1
112.08723	34.6
113.10753	5.6
114.10287	30.8
119.81302	5.4
121.10172	8.1
122.07135	27.2
123.07969	19.6
123.09155	7.6
124.08711	8.8
125.09636	6.3
125.13245	6.1
126.10329	6.0
136.08711	14.0
137.07262	7.4
137.08238	20.1
137.10721	6.8
138.06630	7.1
138.10217	25.1
139.08745	8.3
139.09796	13.7
140.11806	19.7
140.39296	4.9
147.11655	5.9
149.02339	37.9
159.11719	6.5
162.03146	6.7
163.09793	49.1
163.11086	10.7
164.08174	16.9
167.07101	7.3
168.65858	5.5
180.12488	9.3
181.10896	11.9
190.02548	7.0
203.35420	4.5
205.12225	11.5
208.03557	6.2
208.14552	6.0
215.34573	5.4
223.05994	42.6
223.11470	10.9
223.13339	14.6
223.16925	57.9
223.18924	8.6
224.15041	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	225.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93268	0.9
69.65153	8.2
75.96513	1.0
84.96026	1.5
93.87915	1.1
98.97590	2.4
101.00858	14.1
107.37797	1.1
110.36306	1.0
116.98623	2.6
119.01906	100.0
120.01999	3.8
124.02469	4.5
137.02937	42.7
137.04001	2.1
138.03072	1.4
142.03479	58.2
143.03639	2.7
153.00865	1.4
160.04532	28.1
161.02931	14.4
161.04218	1.6
162.42241	1.2
163.32918	1.1
165.05109	3.5
177.00937	18.5
178.01019	2.1
178.31009	1.3
179.03987	31.8
179.49638	1.4
181.49048	1.7
184.04596	3.6
187.99217	5.3
190.49512	3.8
190.99690	1.8
196.99855	1.1
199.50023	46.4
200.00055	19.0
200.49925	3.1
201.00772	1.9
202.00392	1.8
202.05605	5.4
202.50432	2.7
208.50555	1.8
211.00864	17.3
211.50935	7.1
212.00894	1.3
217.04021	1.1
219.01976	13.1
220.02043	2.5
238.95575	3.2
243.01878	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59880	1.1
71.59334	1.9
71.59724	1.6
93.72517	1.2
98.79837	1.2
98.97591	1.9
101.00854	10.8
104.48669	1.3
115.71370	1.2
116.98615	2.1
119.01913	100.0
120.02002	4.1
124.02461	3.0
134.99808	1.6
137.02943	39.1
142.03491	58.4
143.03653	1.3
158.99870	1.5
160.04561	23.8
161.02921	10.9
165.05138	2.1
170.09634	1.3
172.48396	1.5
177.00940	22.5
178.01015	4.9
178.02422	1.3
179.03999	25.3
183.06175	1.9
184.04523	3.3
187.99251	3.9
188.49466	1.3
190.49435	6.3
199.50055	46.4
200.00111	21.1
200.50029	7.0
201.00673	1.4
202.00372	1.9
202.05623	5.2
202.50581	1.6
202.93382	1.3
208.50647	2.8
209.00670	3.1
211.00835	17.4
211.50877	9.7
212.00786	1.3
214.95525	1.5
217.03951	1.5
219.02029	13.2
220.02077	2.8
230.93382	1.5
238.95665	4.0
243.01965	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.94749	1.0
53.03944	5.4
55.01857	3.6
55.05507	33.8
56.96552	2.6
57.03411	3.2
57.06788	1.1
57.07058	5.1
59.04976	2.2
60.39687	1.0
61.72818	1.1
65.03931	2.0
67.05498	53.7
69.07059	14.9
69.32937	5.7
69.33363	5.7
71.04986	7.0
71.08624	1.6
73.06536	2.3
79.05486	87.4
81.03407	5.0
81.07050	40.8
83.04972	40.9
83.08610	9.1
85.02890	2.1
85.06521	5.1
91.04885	2.0
91.05470	59.5
93.07034	100.0
95.04961	29.5
95.08044	1.7
95.08598	25.8
97.06522	6.7
97.10123	4.8
99.04427	4.5
101.94991	4.3
105.03379	2.1
105.04462	2.0
105.07021	41.1
107.04914	3.3
107.08585	19.9
109.06496	11.4
109.10122	4.1
111.08051	2.5
113.89536	1.0
115.05421	1.2
117.07000	8.5
119.07795	1.8
119.08575	25.8
119.96054	3.2
121.06460	2.6
121.10113	6.0
123.08087	8.2
125.05923	1.5
125.09673	1.2
127.07498	2.8
128.06183	2.0
129.06990	21.3
131.08565	2.6
133.10124	9.8
137.09599	1.8
137.13274	1.8
137.97058	4.0
141.09023	1.4
141.20187	1.2
143.08531	11.1
145.10124	10.6
147.08008	3.8
147.11671	51.5
149.09581	2.0
151.07526	1.9
151.11131	2.6
155.98073	2.2
156.39702	1.1
159.11620	1.3
160.98656	3.5
161.09586	5.6
161.13243	14.1
163.11140	2.4
165.07047	1.7
165.12784	1.1
167.10616	1.9
169.10118	2.7
171.10223	2.0
171.11668	31.2
178.99692	2.8
179.14278	3.8
183.11673	2.3
183.13794	2.1
184.09299	1.3
189.12752	11.5
189.16403	1.2
197.09448	1.5
199.30653	1.2
207.13806	17.6
210.12401	4.1
218.55177	1.1
225.05539	1.3
225.09073	5.8
225.14792	75.4
248.73694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03935	5.5
55.05513	29.7
57.03423	5.1
67.05491	45.4
69.07057	11.2
70.84946	9.8
71.04963	4.3
73.06551	4.7
79.05479	93.3
81.03396	5.1
81.07047	38.6
83.04973	26.7
83.08589	6.5
87.48758	5.0
91.05462	50.6
91.44029	3.6
93.06461	6.3
93.07030	100.0
95.04957	35.7
95.08596	22.6
97.06535	5.9
97.10151	8.1
105.07012	39.7
107.04932	4.4
107.08572	19.3
109.06512	6.6
109.14811	3.9
111.08125	4.0
112.77185	3.9
117.07040	6.5
119.08578	23.2
129.06995	20.2
133.10117	10.1
143.08522	9.6
145.10085	7.5
147.11691	51.4
161.09573	4.8
161.13239	15.7
164.42102	4.0
171.11679	38.3
189.12704	13.8
200.95865	3.6
207.13754	32.0
225.14771	14.2
235.95383	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.01864	4.2
55.05253	1.4
55.05508	14.3
57.03419	4.1
57.07066	5.6
58.54671	1.1
59.04975	4.1
61.02913	2.8
61.84340	1.4
65.03937	1.6
67.05163	1.8
67.05498	29.5
67.05861	1.8
69.03422	100.0
69.07062	18.7
71.04982	8.3
71.08624	1.7
71.39077	2.8
71.39423	1.7
73.02932	1.3
73.41032	1.2
77.87598	1.0
79.05116	1.7
79.05491	19.6
81.03397	5.9
81.07047	42.4
83.04974	11.4
83.08616	7.3
85.02878	8.5
85.06533	4.4
87.04459	2.1
91.05466	16.8
93.07035	25.7
95.04959	19.5
95.08595	28.3
97.02872	5.9
97.06518	10.6
97.10149	1.7
99.04441	11.8
99.08111	1.3
103.05450	4.1
105.03385	4.6
105.07017	50.3
107.04948	5.4
107.08580	22.9
109.06502	31.9
109.10143	16.3
110.07278	1.9
111.04420	2.1
111.08072	12.5
113.05963	1.4
116.98635	1.7
117.06998	3.8
119.04936	2.0
119.08565	36.0
120.25079	1.4
121.06474	5.2
121.10133	32.5
122.07258	5.5
123.04411	17.9
123.08056	19.7
123.11699	8.6
125.05978	1.9
125.07071	1.5
125.09640	4.4
128.06198	1.5
129.06996	2.9
131.08563	5.7
133.06479	17.1
133.10117	61.3
135.08020	5.5
135.11662	5.3
137.05948	8.6
137.09604	51.3
137.10690	1.8
137.13214	1.6
139.11165	29.7
141.06931	1.7
141.09045	1.8
143.08559	4.4
145.10152	7.5
146.10898	1.3
147.04428	1.7
147.07959	8.7
147.11670	43.1
149.09612	13.2
151.07544	11.7
151.11159	11.4
153.09105	2.0
155.07088	1.5
155.08452	1.7
156.09326	8.2
159.08055	5.1
159.11656	5.5
160.08896	1.5
161.02849	1.5
161.09651	6.7
161.13232	17.2
163.11137	13.1
165.05553	1.3
165.09052	2.7
165.12770	7.3
167.07042	1.6
167.10645	3.4
169.10101	1.7
171.11639	12.1
174.10384	11.9
177.12756	2.9
179.10640	2.2
179.14247	4.3
181.10158	1.5
181.12244	1.7
183.13800	3.9
189.09129	2.1
189.12715	34.2
197.09647	3.9
207.06561	3.0
207.13779	51.1
225.05417	3.5
225.09099	12.8
225.11087	1.7
225.14767	14.6
226.09555	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03940	3.2
55.01854	8.6
55.05495	16.9
57.03429	6.3
57.07056	7.2
59.04988	14.3
65.03926	2.7
67.05508	20.0
69.03423	17.9
69.07064	17.1
69.83654	6.2
69.84069	8.3
71.04973	5.3
79.05489	21.6
81.03395	3.2
81.07047	30.3
83.04976	19.8
83.08603	5.3
85.02886	4.3
85.06504	3.7
87.04458	10.9
91.05470	22.7
93.07040	55.1
95.04933	14.4
95.08594	35.0
97.06522	14.0
97.10194	3.7
98.97576	4.1
99.04413	6.4
101.06006	4.6
105.03344	3.0
105.07021	54.3
107.04929	4.1
107.08587	58.8
109.06497	28.5
109.10138	17.9
111.04396	3.2
111.08077	11.2
116.98670	2.7
117.07006	7.0
119.04888	3.4
119.08564	44.8
121.06460	8.6
121.10139	33.0
121.10923	3.9
123.04458	2.8
123.08038	33.3
123.11713	5.3
125.05960	4.7
125.09587	3.8
127.07542	3.2
131.08557	6.1
133.06459	6.0
133.10101	27.1
135.08049	11.2
135.11702	15.2
137.05945	8.9
137.09598	25.0
138.10345	2.5
139.11142	7.8
141.06952	3.8
141.09033	5.5
143.08524	7.5
145.10127	5.0
147.08076	11.6
147.11656	24.4
149.09583	20.3
149.13167	2.1
151.07492	9.3
151.11156	92.9
151.14821	2.4
156.09334	6.4
159.11647	8.8
161.09602	7.1
161.13245	31.3
163.11162	21.3
165.06944	5.2
165.09082	28.1
165.12746	11.8
167.07033	2.4
167.10681	7.4
171.11656	8.1
174.10316	7.0
177.00587	2.9
177.12674	7.2
179.14252	7.9
181.10545	2.9
181.12202	53.4
182.07295	4.4
189.12747	34.9
191.03064	2.1
192.39737	2.1
193.06511	2.4
197.05905	3.0
207.13779	94.2
210.06650	2.7
225.05659	4.1
225.09167	25.0
225.14824	100.0
226.15216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01847	1.0
55.05502	7.4
56.66546	1.1
57.03422	2.7
57.07058	2.9
59.04979	1.3
64.77702	0.9
66.55418	1.0
67.05502	7.3
69.03406	4.8
69.07048	3.0
69.69569	8.2
69.80808	1.1
71.04968	2.9
71.08612	1.3
79.05477	6.2
81.07033	11.3
83.04969	40.7
83.08601	2.4
85.02879	1.7
85.06538	5.3
87.04449	2.2
91.05467	5.3
93.07042	7.2
95.04941	5.2
95.08591	13.8
97.02872	1.1
97.06538	5.1
99.04449	3.8
99.08081	13.4
100.87936	1.1
101.06018	1.0
105.07035	9.1
107.04930	3.0
107.08590	11.3
109.05772	2.3
109.06505	45.0
109.07251	2.3
109.10130	4.3
111.04420	20.9
111.08091	2.5
119.01890	1.2
119.04913	1.5
119.08559	11.2
121.06477	4.7
121.10120	13.2
123.08053	100.0
123.11684	3.5
125.05990	2.6
125.09602	7.6
127.07535	4.4
133.10107	5.9
135.08002	1.9
135.11641	2.1
137.05925	2.2
137.09596	4.2
137.13248	1.3
138.10339	1.3
139.07559	1.2
139.11092	2.1
141.09059	3.4
143.01953	1.3
143.08504	1.6
145.10139	1.5
147.07939	1.1
147.11656	7.3
149.09596	10.4
151.07558	6.2
151.11177	6.7
152.51587	1.0
156.09329	1.9
159.11646	1.8
161.02943	1.7
161.09639	2.9
161.13200	9.8
162.20453	1.1
163.11157	4.6
165.05392	1.5
165.09084	3.3
165.12730	9.6
166.19481	1.0
167.10651	8.6
169.08592	3.6
171.11642	1.6
179.10715	1.3
179.14294	3.5
181.12149	3.5
183.10176	1.1
189.12698	12.7
194.34663	1.1
197.09659	1.7
197.73491	1.1
205.08925	1.2
207.06598	1.4
207.13748	19.5
214.09381	2.7
225.09096	4.4
225.11113	1.2
225.14783	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03931	3.0
55.01865	5.0
55.05514	13.5
56.96560	9.6
57.03434	3.6
57.07070	13.6
59.04993	7.4
67.05499	15.8
69.03420	13.9
69.07067	18.9
70.71621	7.8
71.01354	4.7
71.04985	46.6
79.05494	21.3
81.03390	2.9
81.07044	36.7
83.04962	10.6
83.08613	14.7
85.02892	11.3
85.06541	10.7
87.04446	3.4
91.05465	26.0
93.07037	24.6
95.04963	15.6
95.08604	33.5
97.02871	5.6
97.06519	31.5
97.10162	3.1
98.97562	9.2
99.04443	100.0
99.08094	5.9
103.05476	3.1
105.03395	10.3
105.07018	37.9
106.15361	2.6
107.04939	9.1
107.08591	59.3
109.02919	2.7
109.06500	38.8
109.10159	18.7
110.07001	2.3
111.04383	4.6
111.08057	5.8
111.11711	4.8
113.09608	5.6
113.85725	2.5
116.98600	9.4
119.01961	3.1
119.04944	17.2
119.08578	25.8
121.06516	6.7
121.10126	30.9
123.08053	37.8
123.10885	3.7
123.11716	30.3
125.05975	6.9
125.09589	13.2
126.68505	2.2
128.79987	2.7
131.08536	5.9
133.02808	3.2
133.06480	3.1
133.10133	19.5
134.99626	7.8
135.08014	5.8
135.11694	6.6
137.05971	7.0
137.09608	11.7
137.13210	5.7
139.07497	3.8
139.11169	8.6
141.06992	4.7
141.09091	3.7
141.12634	3.3
143.08543	5.1
145.10110	5.8
147.04401	12.6
147.08012	6.8
147.11693	15.9
149.09596	26.5
149.13205	3.8
151.07555	7.7
151.11169	14.9
153.12651	2.7
154.07817	3.7
155.08458	4.1
156.09435	3.0
158.99638	6.2
161.09630	21.7
161.13234	12.5
163.03905	4.7
163.11206	7.2
165.05455	7.4
165.06915	2.8
165.09061	4.2
165.12747	32.1
167.07025	8.2
167.10672	28.9
169.10179	5.3
171.11644	4.9
175.03877	18.0
177.00752	7.4
179.07018	3.5
179.08478	3.0
179.10721	5.4
179.14293	7.2
180.04121	8.0
181.10175	2.6
181.12157	3.7
182.02249	4.7
182.07193	2.9
183.12016	3.5
183.13777	58.7
189.12697	21.0
189.16382	3.8
191.14296	8.2
192.04195	5.5
193.04982	3.7
197.09633	5.8
205.08148	3.4
207.06534	31.4
207.10161	4.9
207.13753	46.6
207.17406	3.4
210.06612	2.7
214.08553	29.7
225.05461	9.5
225.07121	3.0
225.09143	29.1
225.11052	4.9
225.12767	2.9
225.14752	52.9
225.18175	3.2
225.22011	2.7
225.59465	7.4
226.09763	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.24415	0.4
53.03988	2.2
55.01912	6.1
55.05550	3.8
56.96595	1.3
57.03472	1.8
57.07113	1.4
58.59174	0.4
59.05031	1.0
65.03933	7.3
65.55927	0.4
67.05492	5.0
68.99806	0.7
69.03416	3.1
69.07058	4.9
70.06617	1.1
71.04983	4.5
71.62733	0.4
71.63141	0.6
73.02908	33.1
79.05500	4.0
81.03415	5.1
81.07048	5.2
82.04228	1.7
83.05016	1.9
83.08618	2.6
84.08189	0.5
85.02892	4.8
85.06570	1.6
86.09738	0.9
87.04523	1.3
91.03983	1.6
91.05463	6.5
93.03442	1.4
93.07034	8.5
95.04958	24.0
95.08590	4.1
97.02922	2.0
97.06519	6.7
97.10198	1.8
98.03620	0.4
98.06036	0.5
98.97639	0.6
98.98458	0.5
99.04440	2.6
99.08080	5.5
100.11247	8.6
101.06074	0.8
103.05495	1.3
105.07017	4.0
107.04990	2.1
107.08576	5.6
108.02085	1.1
109.02925	0.6
109.06506	3.9
109.10162	3.1
110.03648	2.9
111.04441	4.1
111.08104	1.6
111.11714	0.8
113.09634	0.5
114.05534	0.7
115.07582	1.9
116.98626	1.2
117.07021	0.6
119.01998	0.5
119.04972	1.2
119.08579	2.5
121.02877	0.5
121.06492	3.6
121.10130	8.6
123.04420	10.5
123.08075	1.8
123.11690	4.8
125.02328	3.1
125.05981	3.3
125.09599	2.9
127.07542	3.1
128.06290	0.6
131.01846	0.5
131.08583	1.9
131.97426	0.8
133.10107	7.1
134.99722	1.0
135.04373	0.9
135.08011	1.3
135.11700	1.7
137.05972	0.9
137.09627	0.9
138.03119	1.8
139.03911	2.3
139.11171	2.2
140.04666	48.9
142.02599	2.2
143.08528	0.7
143.10692	0.8
145.10143	1.7
147.04366	0.8
147.11700	2.6
148.05156	2.4
149.02350	1.0
149.05977	2.4
149.09598	2.9
149.13246	2.2
151.03946	1.1
151.11153	3.1
153.05431	1.6
153.09062	6.7
155.07011	66.1
156.07420	1.1
158.10988	0.7
161.02930	0.7
163.03926	0.9
163.11198	1.4
163.14818	1.0
165.05508	0.6
166.06306	1.2
166.07698	0.8
167.03365	5.8
167.07034	10.7
167.10658	6.6
171.06512	8.2
171.07930	0.5
171.10176	2.3
171.11548	0.6
173.08070	7.1
173.13225	4.3
177.00690	0.9
177.05475	2.5
179.07039	3.7
181.04935	100.0
181.08452	3.3
181.10118	1.6
182.05307	1.8
183.03046	1.1
183.06488	0.6
191.10634	0.7
191.14336	3.4
194.05644	1.5
195.06474	4.9
197.01109	0.8
199.07462	1.1
199.11079	1.1
209.08070	31.1
209.11234	0.7
209.15071	3.7
212.08151	0.5
215.06429	1.5
215.56523	0.9
216.06395	0.9
227.06979	3.8
227.09013	26.4
227.16176	10.0
245.08049	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	227.1276
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03928	1.7
54.80687	0.6
55.01859	5.7
55.05505	11.0
57.03425	2.4
57.07060	1.2
65.03927	1.5
67.05495	14.4
69.03413	1.6
69.07059	7.5
69.77329	3.9
71.04984	3.2
71.53647	0.5
73.02897	1.7
75.12034	0.6
75.67616	0.6
79.05482	24.7
79.85153	0.6
81.03400	2.2
81.07047	20.1
83.04982	3.8
83.08605	9.6
85.06500	0.9
91.05481	6.1
93.07032	34.8
95.04963	8.0
95.08594	37.3
97.02874	3.4
97.06505	4.2
97.10163	1.6
98.21509	0.6
98.97571	0.9
99.04445	3.8
103.05479	1.6
105.07027	6.8
107.04260	1.0
107.04942	9.5
107.08582	23.8
109.06493	1.9
109.10119	2.3
111.04446	1.6
111.08073	1.0
113.05979	1.1
117.06995	9.3
119.08560	8.0
121.06486	5.5
121.10131	12.9
125.05983	3.7
128.19240	0.6
130.07741	1.2
133.10078	2.4
135.08049	1.3
135.11674	43.9
139.07521	2.6
143.08514	1.4
145.10101	23.8
147.11693	0.7
153.06998	0.7
153.12717	1.0
155.08469	0.8
163.11163	71.1
164.11516	1.1
167.07048	3.1
173.09627	1.4
177.05446	1.4
181.10089	1.1
181.10379	1.3
181.12213	17.4
185.89552	0.7
197.09668	0.7
203.96095	0.6
209.11703	2.5
227.12747	100.0
228.13135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	2.9
55.01870	1.8
55.05508	10.3
56.96547	1.8
57.03427	2.2
57.07060	5.0
59.04991	1.9
61.22428	1.2
67.05491	9.0
69.03407	5.7
69.07066	22.9
69.82914	2.6
69.83319	5.4
71.04974	5.8
73.78517	1.5
79.05482	13.6
81.07051	34.1
83.04977	3.7
83.08607	3.9
85.02875	1.8
85.06538	3.4
87.04458	15.7
87.15225	1.2
91.05483	22.4
93.06462	2.3
93.07038	45.7
95.04974	7.5
95.08598	16.7
97.02853	2.4
97.06503	5.7
97.10162	2.6
98.97547	2.8
99.04436	3.4
99.05497	1.5
99.08094	2.7
100.11247	16.8
103.05495	3.0
105.03329	1.4
105.07024	18.8
107.04945	2.0
107.08595	18.7
109.06516	5.8
109.10150	5.6
111.04428	1.5
111.08077	2.0
111.11723	6.4
117.07026	1.7
119.01896	1.9
119.08544	9.2
121.06487	4.5
121.10132	75.4
122.10428	1.6
123.08070	8.6
123.11700	68.4
125.09595	3.8
127.11198	1.5
128.06140	1.3
131.08546	2.3
133.10124	9.8
135.08037	5.0
135.11693	4.3
137.05994	5.6
137.09584	4.2
139.07538	3.1
139.11160	4.1
141.06993	1.6
143.08611	3.1
145.10086	2.1
147.11679	13.3
149.05972	1.9
149.09607	39.1
149.13197	4.0
150.06699	1.3
151.11163	34.8
153.01854	1.5
153.06931	1.3
153.09088	1.4
161.02937	2.2
163.07518	4.3
163.11185	1.2
163.14815	3.2
165.07072	1.5
165.12764	8.3
166.07768	2.7
167.07007	17.1
167.10666	100.0
168.11134	1.7
173.13223	5.8
177.05453	2.8
179.76964	1.7
181.04901	1.5
181.08655	2.0
181.10101	6.1
191.10641	2.6
191.14247	7.7
195.07964	2.3
199.07591	2.1
199.11104	2.2
203.02083	1.8
206.09734	2.5
209.08058	3.8
209.11725	1.8
209.15103	8.1
212.08340	1.8
215.10187	4.1
216.10512	1.5
226.60826	1.3
227.07089	6.5
227.10773	10.1
227.16365	4.6
227.17867	3.0
227.19881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03935	1.8
53.82936	1.5
55.01848	5.8
55.05501	16.6
56.96571	1.3
57.03413	5.2
57.07055	4.5
59.04975	1.9
59.09774	1.2
64.06600	1.2
66.92988	1.4
67.05493	10.6
69.03416	4.0
69.07059	14.1
70.06554	1.3
71.04985	46.6
71.60811	1.7
76.37757	1.3
79.05482	9.8
81.03386	2.8
81.07050	15.4
82.06547	5.2
83.04984	6.8
83.08616	9.7
85.06535	20.4
91.05457	5.4
91.58081	2.9
92.64587	1.3
93.07033	19.2
95.04960	18.7
95.08595	18.2
97.06499	10.9
97.10178	1.8
99.04443	100.0
99.08089	5.6
100.09409	3.3
100.10598	1.4
100.11247	28.5
105.07023	13.4
107.04938	1.8
107.08579	33.1
109.02847	1.5
109.06523	6.5
109.10139	20.2
110.06046	2.8
111.04427	3.9
111.08060	9.1
113.06008	2.3
113.09623	5.1
114.09180	3.5
115.07563	3.0
117.13895	1.9
119.08550	7.1
121.06523	2.3
121.10132	33.8
123.08051	13.9
123.11692	13.8
125.06052	1.2
125.09597	8.6
127.07567	2.2
128.07060	1.8
129.79803	1.4
131.08565	3.5
133.10112	21.5
135.08023	3.6
135.11725	6.9
137.09584	8.7
138.10440	1.7
139.11157	8.7
140.04602	1.4
141.11504	9.2
143.08546	2.8
143.10638	1.8
145.10086	4.8
147.11664	9.3
149.09648	6.5
149.13249	13.5
151.11182	9.7
152.06198	4.3
153.09065	4.8
153.12665	1.7
154.12279	2.2
155.08499	1.5
155.11136	1.4
163.11154	6.7
163.14801	6.4
163.64392	7.1
164.14519	1.7
165.06949	2.0
165.12753	3.0
166.07787	3.9
167.07033	6.4
167.08554	11.0
167.10669	4.7
167.14369	2.0
169.08592	14.6
169.12180	8.3
171.10153	2.0
172.15691	1.3
173.13211	14.1
177.05428	2.4
181.10165	3.1
181.12224	3.5
182.15343	6.0
183.13782	19.5
191.10710	1.6
191.14288	18.0
194.07195	2.2
195.08052	11.7
197.06036	1.7
199.18063	3.7
209.09813	1.6
209.11725	3.0
209.15161	12.7
210.14874	2.3
212.08238	3.1
213.17805	15.4
213.67970	3.2
227.06981	3.5
227.10632	29.3
227.12839	2.4
227.16292	34.1
240.13531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.00290	0.5
53.03932	1.2
53.51575	0.4
53.69629	0.4
55.01866	0.6
55.05497	2.8
56.02645	1.2
57.07065	0.5
67.05494	17.8
67.66759	0.4
69.07056	2.5
70.06917	2.2
71.04982	100.0
72.05314	0.5
79.05481	7.1
79.05947	0.4
81.07045	24.2
83.04981	1.3
83.08611	1.9
85.06532	2.1
91.05460	3.9
91.67465	0.4
93.07034	11.4
95.04964	1.2
95.08591	13.9
96.08897	0.5
97.06542	2.8
97.10213	0.4
99.04428	0.5
99.08105	1.2
100.11275	0.4
105.07007	2.9
107.08569	4.1
109.06530	1.3
109.10146	1.9
111.08086	2.2
113.06010	0.5
117.07030	2.7
119.08591	0.8
121.06531	0.7
121.10164	1.6
125.09589	0.9
127.07608	0.5
131.08565	3.2
133.10095	3.8
135.08049	0.8
135.11681	9.5
136.12019	0.6
143.08601	0.5
147.11676	0.4
149.09676	0.4
149.13229	5.4
151.11201	0.6
159.11659	8.0
177.12741	3.3
195.13812	2.2
209.15323	2.0
227.06963	0.8
227.10741	0.7
227.16167	0.6
227.18097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.49765	1.0
53.03926	2.1
55.01849	2.5
55.05506	11.1
56.24441	0.9
56.96535	1.3
57.03429	6.5
57.07069	4.8
58.66105	0.9
59.05000	5.5
65.03919	1.5
67.05495	9.3
69.03430	6.5
69.06722	1.0
69.07056	15.0
70.74169	2.3
70.74561	2.0
71.04985	27.9
71.08620	1.0
73.02917	5.7
73.06551	2.3
79.05476	9.8
81.03384	2.3
81.07040	18.1
83.04972	6.5
83.08621	6.1
85.02876	2.3
85.06527	8.5
86.09668	2.2
90.94813	1.0
91.05462	10.9
93.07034	23.5
95.04958	100.0
95.08041	1.4
95.08588	17.9
96.05261	1.7
97.02872	3.5
97.06523	22.3
97.10130	4.5
99.04441	21.6
99.07489	1.4
99.08082	21.8
100.11246	13.3
101.00859	1.3
101.05992	1.9
103.05421	1.2
105.07016	13.9
107.04910	3.4
107.08585	24.1
108.08885	1.0
109.06519	23.9
109.10139	15.5
111.08060	7.8
113.05975	2.0
113.09624	2.7
115.07550	20.0
116.98580	1.2
119.01865	4.6
119.04874	1.4
119.08566	9.4
121.06458	4.7
121.09314	1.4
121.10126	19.7
123.04361	2.0
123.08048	4.9
123.11684	6.9
125.05974	2.4
125.09597	9.6
127.04858	1.1
127.07545	13.5
131.04953	1.4
131.08572	7.1
133.10112	38.5
134.10504	1.2
134.99586	1.4
135.08022	9.5
135.11659	7.3
137.02948	1.2
137.05920	1.9
137.09613	5.1
137.13306	1.1
139.11162	12.1
140.04616	1.7
141.09052	1.5
143.01831	3.3
143.08446	1.8
143.10645	3.3
144.09360	1.1
145.10130	5.7
146.99651	1.2
147.11668	7.3
148.05392	1.8
149.05910	3.3
149.09581	4.0
149.13228	14.1
151.11169	7.2
153.09082	31.6
153.12672	1.1
155.06941	2.7
155.08192	1.6
158.10844	1.9
159.04393	1.3
161.02937	7.3
163.02664	1.5
163.11157	1.4
163.14804	7.3
165.12666	2.7
166.07791	2.2
167.03325	1.3
167.07014	17.7
167.10738	1.2
167.14226	2.0
169.06119	1.5
171.10141	14.1
173.02957	1.2
173.13249	21.1
176.87923	1.0
177.05388	4.8
178.06622	1.6
179.06931	1.6
181.04997	4.9
181.10062	2.4
183.13698	0.9
185.09219	1.2
191.10605	1.8
191.14273	16.3
195.06470	1.1
199.07585	2.3
199.11385	1.3
203.03769	1.2
206.09590	1.3
207.05939	1.6
209.08058	5.5
209.15268	23.3
211.08194	1.8
227.03500	1.6
227.06982	4.6
227.10498	4.3
227.16350	68.0
228.16621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03934	0.8
55.01862	1.0
55.05501	4.4
56.96565	2.8
57.03424	4.4
57.07069	2.6
59.04992	2.4
65.03923	1.0
67.05506	3.8
69.03416	3.9
69.07061	7.4
70.99402	1.6
71.04984	14.0
71.05360	1.0
71.08617	0.6
73.06545	1.7
75.04476	2.3
79.05482	4.0
80.65639	0.6
81.03410	1.1
81.07043	10.1
83.04968	3.1
83.08596	3.8
84.08118	0.7
85.06531	9.1
86.09676	0.8
91.05477	4.3
93.07030	11.0
95.04958	100.0
95.08599	8.6
96.05282	1.0
97.02878	0.7
97.06521	14.4
97.10154	4.1
98.97574	0.9
99.04450	14.6
99.08082	18.1
100.11250	7.0
103.05453	0.9
105.07013	6.6
107.04909	0.8
107.08585	11.7
109.02876	0.6
109.06504	12.4
109.10150	5.4
111.04410	0.8
111.08030	3.9
111.11752	0.7
111.55001	0.6
113.06019	1.4
113.09607	1.3
115.05570	0.5
115.07560	3.9
115.88913	0.6
116.98634	0.9
117.06991	1.0
119.08578	5.0
121.06487	2.9
121.10126	11.6
123.04408	2.5
123.08067	2.3
123.11680	4.5
125.05953	1.5
125.09608	8.3
127.07547	7.9
131.08553	4.0
133.10110	21.0
135.08022	3.5
135.11693	3.5
136.00281	0.6
137.05954	1.5
139.03888	2.9
139.07521	0.6
139.11171	7.2
140.04556	0.6
141.22633	0.6
143.08492	1.0
143.10645	5.9
145.10117	1.5
147.11647	5.7
148.05197	1.1
149.05977	2.7
149.09579	1.9
149.13219	4.0
151.03905	2.0
151.11208	3.3
153.05544	0.9
153.09085	29.9
153.12772	1.0
155.07034	0.8
161.02902	0.7
163.03838	0.7
163.11131	1.4
163.14813	3.4
165.12729	1.8
166.06166	0.6
167.07014	18.6
167.10651	1.4
171.10139	14.7
173.13260	9.8
174.02603	1.0
177.05444	3.5
181.10092	1.4
183.03067	3.6
183.53166	0.9
191.10556	0.9
191.14275	8.7
192.03558	2.2
194.05722	1.3
194.53865	1.0
195.06500	2.1
197.01192	2.7
199.07506	0.9
199.11060	0.9
209.08136	4.9
209.09770	1.0
209.11774	1.3
209.15291	19.2
215.02209	0.9
220.72122	0.6
227.02272	1.1
227.06947	2.4
227.10550	1.9
227.16362	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	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03929	1.6
55.05503	14.7
57.03414	3.4
57.07066	4.6
58.90065	1.4
59.04983	4.8
67.05492	7.6
69.03425	27.0
69.07046	10.3
69.67696	3.3
69.68115	7.1
71.05000	8.3
79.05473	8.3
81.03461	1.6
81.07040	16.3
83.04967	15.8
83.08596	9.4
85.06525	5.9
91.05467	4.4
93.07041	18.2
95.04958	39.2
95.08591	15.4
96.07604	1.5
96.08949	1.8
97.05996	1.5
97.06526	10.5
97.10155	10.6
98.20592	1.8
99.04440	5.9
99.08087	18.6
100.11243	8.1
105.07032	8.1
107.08585	27.8
109.06509	10.7
109.10152	11.6
111.08066	9.8
113.05957	3.2
115.07567	3.0
117.05683	1.4
119.01905	4.5
119.08559	5.4
121.06476	3.4
121.10136	19.4
123.08054	4.3
123.11674	6.6
125.06020	2.8
125.09615	100.0
127.07532	5.8
131.08530	3.8
133.10109	19.6
135.08034	7.6
135.11649	4.6
137.09608	5.7
139.07596	2.6
139.11165	6.9
143.01904	3.3
143.10646	3.0
144.02019	1.7
145.10106	2.5
147.11659	7.1
149.05936	1.9
149.09604	26.3
149.13275	9.9
151.11166	17.2
153.09088	32.4
161.02888	8.2
163.02718	2.6
163.14813	10.3
164.98413	1.5
165.12733	1.7
166.07825	2.1
167.07004	5.9
167.08301	1.5
167.10635	2.9
167.14284	2.3
168.90121	1.3
169.05971	1.8
171.10178	6.9
173.13243	12.0
181.10117	2.1
187.57419	1.9
191.14285	24.2
195.06450	1.4
195.08110	1.9
199.07440	1.8
209.08066	3.6
209.15323	56.0
227.08658	2.9
227.10637	4.2
227.16359	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.58170	2.1
53.03931	4.0
55.01847	4.4
55.05505	21.4
57.03437	18.7
57.07058	6.3
59.04974	7.8
67.05494	23.8
67.29798	2.9
69.03426	18.1
69.07069	19.1
71.04642	3.0
71.04986	37.5
71.08305	6.3
73.02895	2.7
75.04466	3.0
75.82224	2.3
76.31787	2.3
79.05482	19.2
81.03389	4.3
81.06577	3.2
81.07045	54.5
83.04970	15.3
83.08604	13.7
85.02850	2.3
85.06525	12.8
85.18184	2.1
87.04446	3.4
91.05467	18.9
93.07041	54.6
95.04437	2.4
95.04962	27.3
95.08597	55.9
97.02909	3.5
97.06510	25.7
97.10130	7.7
98.97569	3.7
99.04446	30.0
99.08080	14.9
100.11250	18.7
105.07019	30.5
107.04926	2.5
107.08588	84.8
109.06499	18.5
109.10144	64.5
111.08065	14.3
115.07533	5.3
117.06994	4.5
119.01884	6.1
119.08567	20.4
121.06453	9.3
121.09306	3.9
121.10129	57.4
122.10426	3.0
123.08060	19.9
123.11698	22.0
125.05945	4.9
125.09626	17.6
127.07492	6.1
128.06232	3.4
131.08556	12.2
133.09100	2.5
133.10120	42.4
134.10532	2.3
134.99574	2.7
135.08029	25.5
135.11681	19.2
137.09595	21.4
139.07498	7.1
139.11179	19.8
143.08490	4.0
143.10597	4.3
145.10101	7.9
147.07924	2.3
147.11650	17.6
149.05934	8.8
149.09529	10.4
149.13246	40.5
150.06641	2.7
151.11177	58.4
153.09056	6.7
153.12657	4.3
155.08301	2.2
158.10844	2.9
161.02937	3.8
161.07964	3.4
161.13242	19.7
163.07510	11.0
163.11133	2.9
163.14807	17.1
165.06905	2.6
165.12718	17.2
166.07709	3.0
167.07022	34.0
167.14246	9.8
168.09270	2.8
169.08549	3.3
169.12158	5.5
171.07968	3.2
171.10196	3.3
173.13245	29.6
177.05429	6.6
179.14255	6.5
181.10097	7.7
183.13812	17.8
185.09161	7.8
191.06891	5.6
191.10564	4.3
191.14297	46.1
195.06477	4.2
196.59908	3.0
197.15334	4.2
199.11179	3.9
209.08034	16.4
209.11520	3.1
209.15297	46.5
227.07033	12.8
227.10762	11.6
227.16342	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.01821	1.2
55.05506	4.6
55.70194	0.8
57.03414	3.2
57.07059	2.2
59.04979	2.3
67.05485	4.6
69.03404	4.1
69.07061	6.4
70.01252	5.1
70.18411	0.9
71.04985	20.9
73.02895	1.1
73.06550	1.9
75.04453	2.5
79.05494	5.5
81.07043	10.5
83.04946	3.3
83.08598	3.1
85.06061	1.0
85.06537	9.3
91.05462	3.1
93.07025	11.7
94.51490	0.9
95.04954	100.0
95.08588	11.1
97.06521	14.6
97.10156	4.2
98.20831	1.9
99.03828	1.6
99.04441	32.4
99.07477	1.4
99.08080	17.9
100.11198	2.2
105.07009	7.7
107.08578	17.1
107.45045	0.9
109.06506	13.7
109.10141	7.8
111.08048	3.4
113.05994	1.6
113.09595	2.2
115.07514	4.0
117.06981	1.1
118.08006	1.0
119.01935	1.2
119.08578	7.3
121.10134	17.8
123.08031	3.4
123.11707	7.8
125.09616	10.2
127.07529	8.4
128.06128	1.0
131.08540	3.5
133.10110	24.9
135.08006	4.0
135.11667	4.7
137.09636	1.6
139.11136	7.4
143.01877	2.2
143.08578	0.9
143.10670	5.4
145.10094	3.0
147.11671	6.5
149.09625	2.2
149.13229	6.8
151.11192	5.0
153.07881	1.9
153.09079	28.3
153.12709	1.6
158.10898	1.2
161.02937	4.1
163.07506	1.6
163.11157	1.9
163.14780	3.7
165.12692	2.3
167.07014	5.8
169.12195	0.9
171.10152	13.7
173.13245	12.4
177.00655	1.0
177.05470	1.6
183.13770	3.5
191.14262	14.3
195.07773	1.0
209.08003	1.3
209.11743	2.0
209.15327	23.2
215.10143	2.0
227.06969	2.7
227.10571	1.3
227.16374	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	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03926	2.3
55.01619	1.4
55.01865	20.3
55.05505	13.8
57.03416	2.6
57.07069	6.6
59.04976	3.8
61.02900	2.6
65.03915	1.2
67.05499	14.9
69.03425	7.4
69.07057	30.8
71.04649	1.2
71.04984	17.4
71.61319	1.7
73.02885	0.9
79.05055	1.4
79.05479	17.2
81.03365	1.5
81.07047	52.7
83.04980	7.3
83.08622	9.2
85.02875	2.1
85.06071	1.3
85.06533	19.1
86.09679	2.1
87.04456	13.4
91.05461	12.2
93.06481	1.9
93.07034	32.7
95.04947	11.5
95.08591	32.2
97.02840	1.9
97.06524	18.9
97.10133	3.4
98.97561	3.5
99.04446	34.7
99.08057	4.5
100.11230	10.2
103.05447	1.3
105.07015	24.7
107.04913	2.6
107.08580	53.1
109.06526	11.3
109.10143	15.8
111.04398	3.1
111.08074	6.4
113.06007	7.3
113.09596	1.9
115.07550	1.7
116.98589	3.0
117.06940	3.5
117.95801	1.1
119.07780	1.2
119.08557	12.3
121.06509	8.3
121.09322	1.9
121.10133	27.6
123.04447	1.5
123.08054	13.5
123.11691	100.0
124.08421	1.4
124.11976	1.1
125.05937	3.2
125.09604	7.6
127.07542	1.4
129.06915	1.6
129.09096	2.0
131.06993	2.4
131.08556	10.7
133.10101	19.3
134.99591	2.6
135.08018	6.3
135.11667	19.5
137.09573	3.2
137.13226	5.7
139.07512	1.9
139.11131	2.5
140.04686	1.7
141.12656	1.7
142.03177	0.9
143.07031	1.1
143.08504	2.5
145.10094	9.8
147.11670	11.1
149.05888	1.1
149.09564	4.4
149.13245	14.6
151.07509	9.1
151.11143	8.0
153.06885	2.1
153.09055	4.6
153.12689	3.4
155.08539	1.3
157.08517	1.7
158.99620	2.2
161.13228	1.8
163.11179	17.6
163.14789	6.5
165.12718	3.7
166.07741	1.5
167.07042	6.6
167.10651	4.5
167.14279	3.2
169.08580	68.3
169.12173	3.9
171.10168	7.3
171.11519	1.8
173.09644	1.5
173.11768	1.0
173.13242	17.1
177.00639	4.0
177.05341	1.6
181.10066	2.7
181.12163	10.2
183.13797	5.5
185.11667	1.5
191.10599	4.0
191.14267	16.7
198.09061	1.4
199.07472	2.0
207.09564	14.5
209.09906	1.1
209.11778	5.1
209.15216	11.2
227.03363	2.3
227.07051	7.5
227.10466	5.3
227.12930	9.6
227.16338	75.4
227.60797	1.9
228.04117	2.2
228.16702	1.3
228.22952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03926	3.7
53.09172	1.4
55.05257	1.6
55.05504	18.0
56.96542	5.7
57.03429	6.6
57.07072	7.6
59.04972	4.8
59.06100	1.6
60.33540	1.4
67.05216	1.3
67.05497	14.0
67.82525	1.5
68.05042	1.7
69.03417	8.8
69.07058	25.1
69.31155	15.0
70.06577	2.7
71.04627	2.1
71.04984	21.5
71.08618	3.4
73.02893	4.2
73.06547	2.2
75.04472	2.7
79.05482	12.9
81.03407	3.5
81.07051	21.4
83.04973	12.9
83.08611	14.6
84.04472	2.1
85.02890	3.4
85.06531	9.5
85.10130	1.4
86.09680	5.7
87.04401	1.8
91.05471	15.5
93.07029	24.8
95.04958	100.0
95.08594	21.7
97.02902	3.1
97.06519	17.5
97.10155	9.4
98.97556	2.4
99.04442	13.4
99.08072	20.6
100.11244	2.5
101.05991	2.5
103.05424	2.0
105.07014	13.3
107.04936	5.1
107.08578	31.3
109.06512	18.5
109.07645	1.7
109.10136	18.0
111.04433	3.3
111.08060	9.0
111.09193	1.5
113.05956	3.7
113.09647	2.9
113.96400	1.7
115.05427	3.1
115.07552	5.5
116.98601	3.4
119.01916	8.1
119.04913	1.4
119.08575	8.9
121.02982	2.1
121.06465	6.4
121.10131	30.5
123.04379	4.0
123.08038	5.7
123.11665	8.9
125.05956	3.9
125.09606	13.1
127.07535	8.1
128.06192	4.6
131.04901	2.5
131.08571	8.9
131.97351	2.0
133.10112	32.5
134.99644	3.2
135.04454	2.0
135.08025	7.3
135.11682	10.5
137.05965	2.9
137.09608	4.9
139.03853	2.4
139.07504	2.0
139.11166	13.6
140.04668	4.2
141.06985	2.3
142.07706	2.6
143.01872	5.1
143.08540	5.8
143.10625	7.6
145.06538	1.8
145.10095	4.3
146.99672	2.0
147.04393	2.4
147.11656	8.8
149.05966	3.4
149.09592	4.3
149.13246	12.2
151.11194	8.6
153.05605	2.3
153.06978	4.0
153.09073	29.2
153.12666	1.6
155.07074	2.7
155.08502	4.9
156.09251	2.1
157.10123	2.7
158.10902	2.9
161.02954	11.7
162.03027	2.2
163.03822	1.5
163.11147	2.1
163.14786	5.7
165.06981	7.5
165.12758	3.5
166.07712	10.1
167.03432	1.6
167.07013	17.0
167.08327	2.3
167.10663	1.3
167.14310	4.7
168.09297	3.1
171.04271	2.0
171.06645	1.6
171.08018	3.6
171.10135	17.4
173.13240	17.5
177.00700	1.7
177.05472	5.7
179.08606	1.9
181.04985	6.6
181.06345	1.7
181.08615	2.8
181.10083	23.3
183.11623	2.4
184.04607	2.0
185.09474	2.6
191.10555	1.9
191.14290	15.1
192.06441	1.5
194.05550	1.4
195.06418	2.8
199.07536	7.6
199.11160	7.7
206.59807	1.8
209.07982	4.2
209.09677	4.0
209.11690	2.5
209.15323	33.9
227.03575	1.7
227.07121	20.0
227.10664	26.9
227.16380	70.1
227.19930	2.3
228.16840	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.05509	18.4
57.03429	8.8
59.94193	3.3
67.05505	17.5
69.03426	5.5
69.07058	9.4
70.76575	12.1
79.05463	16.6
81.03408	57.0
81.07055	26.3
81.36748	3.3
83.04967	25.7
83.08617	18.2
85.02908	11.5
85.06552	4.0
91.05476	21.1
93.07031	14.2
95.04964	26.7
95.08560	6.4
97.10173	5.6
105.06997	16.7
107.04944	7.6
107.08578	6.8
109.06499	6.4
109.10153	8.3
111.08068	12.8
117.07008	4.3
119.08572	13.9
121.10153	8.3
123.11699	5.2
127.11257	3.8
129.07001	8.3
131.08556	8.6
133.06512	7.4
133.10146	10.0
147.11662	12.4
149.09615	6.2
157.10132	15.8
175.11147	16.6
183.11674	6.0
193.12207	86.9
193.15894	4.1
202.99707	3.7
210.04070	4.1
211.13252	100.0
211.15240	5.8
229.12259	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	232.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01868	4.0
56.96561	100.0
57.03431	12.2
61.02927	10.6
69.03423	12.5
69.07028	1.3
71.04992	1.9
71.62978	2.2
73.02917	24.8
74.97601	4.4
79.05472	2.4
81.03412	6.6
81.07053	6.2
82.07369	2.1
83.04968	1.1
84.96029	8.4
85.02407	1.9
85.02898	23.9
85.24374	1.2
86.03690	2.8
87.04432	1.9
88.34307	1.0
90.01557	1.8
91.03940	4.9
91.05468	3.2
92.05775	2.3
93.07021	2.0
94.07350	1.4
95.08609	1.8
96.08973	1.9
97.02875	17.0
97.96819	1.6
98.01273	2.0
98.97570	27.3
99.04440	3.0
100.99131	12.0
101.00842	1.8
102.97042	2.2
105.07016	5.0
106.00254	1.8
106.07362	3.4
107.08611	1.8
109.02856	6.5
110.01304	8.1
110.97556	8.4
111.02028	2.3
113.01703	1.4
114.89329	1.1
116.00301	1.3
116.98609	29.9
118.00259	3.9
118.07362	2.0
119.00182	20.8
119.01830	17.1
119.08613	1.5
120.08904	2.4
120.98101	1.7
121.01653	2.5
121.10101	1.4
122.10471	1.2
124.00253	1.3
125.01007	2.3
125.01818	2.5
127.00800	9.7
127.03913	7.5
127.50866	2.0
128.00717	1.8
128.02286	3.8
128.98604	21.8
130.00276	1.7
130.07330	2.9
131.00183	1.7
131.01025	2.5
131.01874	5.6
131.08565	3.3
132.08868	5.4
133.00728	3.0
133.01648	1.3
133.03485	2.0
134.10411	2.1
134.99646	29.9
135.00635	2.4
137.01091	7.7
137.02786	6.3
138.06259	1.2
139.00758	5.0
140.00356	1.1
140.01471	2.6
143.00156	5.8
143.01889	3.5
143.08524	2.4
144.08867	7.4
144.98074	8.6
145.00716	6.4
145.03447	3.7
145.04984	2.2
145.10107	5.5
146.01382	1.5
146.02312	3.5
146.10457	5.6
146.99644	40.3
148.00098	1.3
148.01292	3.3
148.97546	2.0
149.01167	2.9
149.02852	2.6
151.00772	7.2
152.02318	4.6
153.00700	5.6
154.01274	2.1
155.00307	1.6
155.02902	7.4
156.08797	1.6
157.00696	2.1
157.01854	2.8
157.03452	2.3
157.10057	1.4
157.51927	1.5
158.03508	3.4
158.10481	4.7
158.99620	8.4
159.11652	2.1
160.01370	11.0
160.12007	4.1
161.01233	9.6
161.02887	15.6
162.09946	2.1
162.99135	21.6
163.02623	1.6
164.03371	7.5
164.99324	1.7
165.00700	25.7
166.01326	2.2
166.51414	1.3
169.01822	27.3
169.51959	7.5
170.01585	4.4
170.03308	4.0
170.53503	1.5
170.99669	5.3
171.11331	1.9
172.97580	3.6
173.01245	1.4
173.02925	3.2
174.09990	2.2
175.01820	5.2
175.04463	2.1
175.51891	1.5
176.07909	1.7
177.00691	8.0
178.02350	18.0
178.52451	4.9
179.00740	1.9
179.02243	5.0
180.52597	3.7
181.00206	3.4
181.01842	5.6
181.52051	1.8
181.54021	1.3
182.03464	6.7
182.99692	1.1
183.00211	1.3
183.01749	10.9
184.02315	7.2
184.52393	1.4
184.99698	4.8
185.02872	1.6
185.13268	1.7
186.00717	1.4
186.03001	3.2
186.04463	5.7
186.13567	16.6
187.01772	2.5
187.14862	6.4
189.00648	11.3
189.53163	2.0
190.00493	1.9
190.02316	12.7
190.03850	2.0
190.09564	2.0
190.12953	2.1
190.52475	2.4
190.98621	24.3
191.02271	3.0
191.03876	27.2
191.54147	3.1
194.00220	1.7
195.01697	1.8
196.02422	3.9
196.52391	1.7
197.99481	2.1
199.02902	2.5
200.04399	40.4
200.54622	4.2
201.00737	3.4
201.53157	1.7
202.02426	1.4
202.54707	2.0
203.03987	1.7
204.05414	4.3
204.10930	1.9
204.14647	2.1
205.00201	2.6
206.00348	4.5
206.50256	1.4
206.99883	1.6
207.01727	1.7
208.01219	2.3
208.99675	74.2
209.01263	3.0
209.04922	89.9
209.55078	5.9
211.02864	2.1
211.53328	2.0
211.55197	7.9
214.00218	4.2
214.13084	3.6
216.98643	2.4
218.05544	1.4
219.01741	6.1
220.03419	8.1
220.53589	2.3
220.55663	16.6
221.01575	1.8
221.06029	1.7
227.00731	11.5
227.97337	1.3
229.03931	8.5
230.03777	1.5
231.54340	1.9
232.01314	7.6
232.04675	2.5
232.06700	1.6
232.14143	18.8
233.04950	2.7
233.15453	2.8
237.02792	20.9
240.54816	1.9
250.05959	2.4
250.08777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
53.84224	1.9
55.01862	7.2
55.05504	8.3
56.96559	100.0
57.03428	15.2
57.07072	4.2
59.05005	2.5
60.04520	4.9
60.95858	2.6
61.02925	23.5
65.95361	1.9
67.05490	6.1
69.03416	18.2
69.07059	3.4
70.06590	12.6
71.04978	7.7
71.62353	2.9
72.08152	11.2
73.02918	19.1
74.97604	10.9
75.04458	3.5
79.05485	6.0
81.03405	10.0
81.07041	6.7
82.07424	2.2
83.01340	2.6
83.04961	11.0
83.06099	2.0
84.08152	9.9
84.96018	3.5
85.02899	33.0
86.09724	4.0
87.04475	5.0
88.07629	4.5
89.03893	3.2
91.05474	6.6
93.07054	3.4
95.04982	4.1
95.08582	3.4
97.02883	23.2
98.03230	2.5
98.06038	2.0
98.96127	2.0
98.97579	45.7
99.04468	6.9
101.00871	2.9
101.02351	2.6
101.06038	3.0
103.02467	3.6
105.07033	8.3
106.07378	6.4
107.08604	5.0
108.08940	3.1
109.02856	4.2
110.07136	3.8
110.97620	3.2
111.04446	16.3
112.12312	1.8
113.98608	2.3
115.02443	4.3
116.00259	3.2
116.98613	49.1
117.01822	5.0
117.04018	2.5
117.06995	1.9
118.03607	2.0
118.07365	2.8
119.00169	2.7
119.01901	22.0
119.04937	1.9
120.02004	5.1
120.08900	5.3
121.01610	3.5
122.10470	2.7
123.04387	2.5
127.01540	3.1
127.03907	17.3
128.02309	6.8
128.98633	10.4
129.05457	5.3
129.10260	2.6
131.00182	3.5
131.01872	9.8
131.08560	4.2
131.99693	7.6
132.08891	9.9
133.01556	4.5
133.03474	7.2
134.01224	7.0
134.02963	5.0
134.10434	4.0
134.99651	54.0
135.00644	3.8
135.05058	4.3
135.08066	2.8
136.06201	4.3
137.02917	9.1
137.05971	2.7
138.05315	2.5
138.98949	4.2
140.04933	9.9
140.55016	3.5
143.00130	4.9
143.01877	3.7
144.99751	2.1
145.01608	3.1
145.03517	5.1
145.04991	4.7
145.10083	3.0
146.08133	5.9
146.10445	7.5
146.99615	19.2
147.04263	3.3
147.05800	2.8
148.12001	2.1
149.01181	3.5
149.03784	4.6
150.00716	11.8
150.96915	2.8
150.99118	20.8
153.00697	8.5
153.05780	6.3
155.07022	15.8
157.02583	4.4
158.01244	4.6
158.99663	5.8
159.05132	2.7
159.11722	3.8
160.12044	11.6
161.01215	9.7
161.02919	9.8
162.03397	2.4
162.99156	4.1
163.02692	3.1
163.03967	8.9
165.00729	5.7
167.02296	2.3
168.01743	3.7
169.00194	15.3
170.99638	2.3
173.02991	4.4
173.08092	19.2
174.99135	22.1
175.04489	3.0
176.11583	2.9
177.00700	9.7
177.02283	3.8
177.04062	2.5
177.05539	2.2
178.09474	4.6
179.07631	3.4
183.03275	3.8
186.99173	3.0
188.04169	6.2
188.15154	22.6
188.97070	5.2
189.00735	7.9
189.02451	4.3
189.04170	3.4
190.03900	4.2
190.98672	4.3
191.04001	6.7
192.01764	5.0
192.03923	2.8
192.98466	5.1
193.00201	92.6
198.13583	2.2
201.00629	3.7
201.02321	2.7
202.54803	2.6
203.02280	4.6
206.98167	4.0
207.01805	3.9
207.03577	3.9
208.99692	4.8
209.98148	2.6
209.99992	5.9
210.04811	3.5
211.01187	24.4
211.04567	4.2
213.03320	3.2
216.01784	9.4
216.14661	8.5
217.10736	35.3
217.15446	8.3
218.03452	4.1
219.01643	3.5
228.05765	2.2
229.00136	3.0
233.57355	2.5
234.04898	8.0
234.15680	20.8
234.18211	14.0
235.01216	2.7
235.06618	2.7
237.02806	7.9
247.02933	5.1
252.05748	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	235.1689
Annotation	10-Hydroxy-3-longipinen-5-one
Peak:m/z	Relative Intensity
52.12540	1.2
53.03932	1.6
55.01875	2.5
55.05505	8.2
57.07072	7.5
59.04984	3.9
65.89511	1.1
67.05500	8.8
69.03410	2.8
69.07063	12.1
69.37186	9.5
69.37599	2.8
71.04961	3.8
79.05476	7.5
81.07050	13.7
83.04951	3.2
83.08613	4.1
85.06519	3.6
91.05460	15.1
93.07031	16.6
95.04943	7.2
95.08596	17.3
97.06509	3.1
105.07020	33.4
107.04957	1.5
107.08581	29.7
109.06512	6.4
109.10152	11.7
111.08064	3.9
117.07001	5.2
119.08568	82.1
121.06467	3.4
121.10132	15.2
123.08059	4.4
123.11674	5.4
125.09633	1.3
128.06206	4.0
129.06967	1.3
131.08559	17.6
133.06468	2.8
133.10118	42.4
135.08040	16.5
135.11699	7.6
135.12556	1.3
137.09601	3.9
142.07771	6.0
143.08546	10.4
144.09308	1.7
145.10124	12.7
146.07269	2.5
147.08018	6.0
147.11664	15.2
149.09576	2.8
149.13223	2.3
151.11139	9.2
153.09106	1.3
156.09331	3.4
157.10115	10.3
158.10902	2.1
159.08075	1.9
159.11674	14.2
159.18979	1.2
160.08763	2.3
161.09604	49.9
161.13322	6.4
169.10094	1.4
171.11697	8.4
173.13245	18.5
175.11209	9.7
175.14804	16.8
177.12735	5.2
179.10672	12.3
184.12418	3.7
187.11169	2.7
187.14798	5.7
189.12759	2.2
189.16396	21.9
191.14352	2.7
193.15898	3.7
199.14789	10.3
202.13519	1.9
217.15862	100.0
218.16109	2.5
235.16908	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03944	4.7
55.01856	1.1
55.05503	6.7
57.07062	3.0
65.03925	1.5
67.05499	20.3
67.05860	1.1
68.98009	0.6
69.03422	27.6
69.07059	6.5
71.04974	1.7
79.05484	24.4
81.03394	0.7
81.07052	15.0
83.04998	1.4
83.08629	4.4
85.06559	1.1
91.05473	37.5
93.07034	100.0
94.07366	1.0
95.04958	13.5
95.08601	16.6
97.06509	2.7
97.10155	1.2
99.08074	0.8
105.04480	1.4
105.07026	11.0
107.08580	19.2
109.06520	2.4
109.10143	7.5
111.08092	0.7
117.06993	1.6
119.08572	17.0
121.06447	1.4
121.10129	22.7
123.08061	2.7
123.11694	1.4
129.06978	0.9
131.08578	3.7
133.09102	0.9
133.10110	18.2
133.11060	1.5
133.83890	0.7
135.08040	3.0
135.11676	6.1
137.09650	0.9
143.08530	1.3
145.10124	2.3
147.11681	6.4
149.09508	0.8
149.13278	1.7
151.11148	2.1
153.09105	4.0
157.10114	3.2
159.11690	2.5
161.09590	1.6
161.13226	3.0
165.09042	1.0
171.11598	1.9
173.13281	1.4
175.11136	1.6
175.14836	3.3
179.10713	1.7
181.58377	0.7
187.14693	0.9
189.12746	1.1
189.16380	33.2
191.17912	5.4
192.36258	0.7
199.14778	3.3
207.17392	3.0
217.15912	7.2
229.36984	0.7
235.16905	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	236.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10945	2.4
53.03941	5.5
55.05509	30.9
56.96563	59.3
57.03421	12.5
57.07062	10.6
59.04971	3.7
60.04511	6.5
61.02906	10.4
67.05493	3.6
68.05007	3.3
69.03420	20.3
69.07058	4.9
69.34744	21.5
69.35166	10.0
70.06568	12.2
71.04992	6.5
72.08167	16.1
72.93774	3.6
73.02925	16.9
73.03256	2.6
73.06535	24.3
74.06069	4.1
74.35097	2.7
74.97608	3.7
81.03401	5.2
81.07063	5.4
83.04971	2.8
84.08131	6.8
84.96017	5.1
85.02498	3.1
85.02906	34.5
86.09694	5.7
87.04460	5.3
89.03898	3.7
89.10787	3.0
91.05463	3.5
95.04953	4.1
97.02882	24.8
98.97577	43.9
99.04457	4.2
106.02895	3.1
106.04983	8.6
109.02855	7.1
110.01302	7.3
113.03621	4.4
116.98614	47.6
119.01794	12.3
120.08110	31.2
127.03913	8.4
128.02325	6.7
128.98589	9.5
129.10223	4.1
130.08606	3.3
133.02791	3.1
134.10504	3.6
134.99658	36.4
135.04369	5.6
136.06049	3.1
137.05920	4.3
146.02217	3.2
146.04120	6.4
146.06035	10.3
146.99580	14.8
147.03218	10.4
149.01169	3.5
152.07002	4.2
153.00708	3.8
155.04652	100.0
155.54790	9.7
158.01183	3.4
158.99696	19.2
160.02711	5.3
161.01213	5.2
161.02986	3.5
161.04689	4.5
162.99185	4.1
163.03929	11.4
164.05183	59.8
164.55324	5.5
165.00685	3.6
165.04361	12.9
166.55470	18.7
167.05621	6.9
167.06984	5.2
170.03386	4.2
170.55289	3.5
171.01421	9.6
174.11211	4.1
175.55905	6.9
177.00690	35.5
180.11072	7.0
185.02773	4.0
188.05139	5.1
189.00732	4.3
189.02431	8.3
191.03879	12.4
191.05588	6.1
195.01759	3.9
200.04442	5.0
206.06183	8.6
207.01939	3.2
207.05219	3.9
211.56894	3.7
212.06288	3.5
213.00473	3.5
213.02310	4.8
218.16302	4.8
219.01759	7.3
219.14983	4.2
227.06754	38.9
227.57027	8.3
231.01512	4.3
231.05460	4.1
236.05264	5.2
236.07341	54.7
236.11182	8.1
236.17288	46.9
236.57489	5.2
237.02756	9.9
255.03833	5.6
259.25879	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	239.1639
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
53.03933	3.5
55.01860	4.3
55.05503	30.9
57.03423	6.7
57.07077	8.9
59.04987	2.0
62.70551	1.3
67.05494	41.2
69.03423	9.3
69.07061	36.3
71.04981	8.0
71.08613	2.7
71.61950	1.7
71.62345	1.5
79.05051	1.9
79.05486	27.5
81.03410	69.1
81.07045	42.1
83.04973	32.0
83.08614	12.2
85.02883	1.7
85.06532	7.4
87.94149	1.3
89.06020	4.2
91.04946	2.5
91.05470	25.5
93.07032	32.2
95.04958	18.0
95.08597	39.1
97.06517	9.8
97.10163	3.0
97.84985	1.3
99.04439	2.9
99.08077	2.7
102.98801	1.3
105.07021	19.6
107.04953	4.0
107.08575	16.8
109.06518	5.8
109.10155	16.5
111.08075	4.9
111.11694	2.6
117.07005	7.0
119.08569	23.4
121.06499	13.9
121.10115	8.9
123.08035	9.1
123.11700	4.7
125.09590	2.4
126.21040	1.2
127.07545	1.5
129.06995	4.8
131.08527	8.1
133.06427	1.6
133.08578	2.4
133.10121	14.4
135.08041	4.7
135.11676	5.8
137.06012	2.0
137.09592	8.1
140.52324	1.5
143.08527	6.5
145.10089	3.2
147.08095	2.0
147.11671	5.4
149.09625	1.8
149.13237	1.8
153.07036	1.6
155.08511	2.3
157.10139	3.6
159.11674	6.2
161.09589	2.8
161.13235	3.4
163.14902	1.6
165.12761	2.2
169.10068	2.6
170.22624	1.4
171.11815	1.8
173.13213	2.1
175.11169	1.5
175.14796	12.7
177.16374	1.4
179.10779	1.3
183.07979	1.4
183.11678	2.0
185.13208	14.2
193.15863	5.1
197.13200	2.5
203.14304	6.8
203.18065	1.9
211.07468	2.9
221.15338	100.0
221.18896	3.3
239.06903	4.3
239.08873	16.6
239.12656	3.0
239.16251	38.1
239.23543	2.2
240.09290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03912	2.1
55.01852	2.1
55.05504	14.7
57.03419	8.2
57.07065	4.0
67.05493	15.7
69.03419	5.5
69.07054	18.5
71.04985	5.6
71.15569	4.4
71.15955	4.0
79.05481	12.3
79.13705	1.8
81.03407	3.0
81.06625	3.0
81.07054	32.3
83.04967	6.7
83.08610	8.4
85.02906	2.7
85.06525	3.9
85.96770	2.0
89.06022	4.3
89.88425	2.0
91.05464	28.2
93.07041	31.2
95.04951	5.4
95.08036	2.9
95.08604	36.8
97.06501	4.7
105.07024	75.5
105.07745	3.6
107.04929	2.4
107.08585	40.2
109.06495	7.8
109.10140	20.0
111.04401	3.1
115.05478	3.1
117.07006	24.6
119.08565	100.0
121.06498	23.8
121.10136	27.0
123.08047	8.2
123.11678	8.3
125.06033	2.0
125.09621	1.9
128.06212	6.7
129.06963	5.7
130.07777	2.6
131.08554	42.7
133.06445	6.1
133.10109	56.2
134.31778	1.9
135.08026	6.4
135.11656	12.5
137.09573	5.7
142.07776	6.9
143.08551	19.1
144.09293	4.3
145.10117	30.4
146.07234	2.5
147.08022	18.6
147.11665	29.3
149.09636	4.3
149.13240	6.8
151.07497	2.9
155.08531	3.5
156.09357	4.5
157.10120	14.0
158.10866	3.4
159.11665	42.6
160.08777	2.2
161.09605	21.1
161.13235	33.0
163.11180	12.7
163.14798	11.6
165.09070	5.3
165.12791	3.2
169.10150	2.7
170.10892	8.3
173.13254	29.4
175.11211	4.2
175.14810	85.8
177.12718	8.5
179.10664	6.9
179.14331	2.7
181.12062	2.0
183.11676	4.3
185.13284	22.1
191.14281	52.4
193.15854	5.5
203.12395	3.8
203.14294	73.8
211.07372	2.9
221.11964	2.6
221.15359	39.0
234.49362	2.1
239.06911	6.8
239.08981	10.2
239.16306	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1638
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
53.03933	8.2
55.01861	9.2
55.05512	34.1
57.03418	8.6
57.07062	10.4
58.94887	5.3
59.04977	5.9
63.24927	5.6
67.05503	57.8
69.07066	45.0
71.04987	44.6
71.08617	6.2
71.63379	7.0
71.63729	6.8
79.05479	51.8
81.03399	8.2
81.07047	100.0
81.42825	6.2
83.04976	16.1
83.08610	21.8
85.02894	18.8
85.06544	12.4
89.06012	24.1
91.05471	52.0
93.07033	70.0
95.04952	83.3
95.08593	66.0
97.06521	63.3
97.10135	8.2
100.52970	5.3
105.07027	57.3
107.04941	44.1
107.08585	31.3
109.06490	11.7
109.10155	28.1
111.04438	14.6
113.09644	7.4
117.07031	16.4
119.08577	40.0
121.06505	18.4
121.10132	13.2
123.08072	9.7
123.11716	10.4
128.06233	9.0
129.06998	17.0
131.08559	6.0
133.06459	30.5
133.08591	12.9
133.10118	19.6
135.11642	7.4
137.09584	11.1
141.06921	6.5
143.08499	31.8
143.10480	5.9
145.10088	22.3
147.08029	9.0
147.11656	10.8
149.13324	6.7
150.70825	6.1
155.08559	19.5
157.10158	15.9
159.11673	16.2
161.09532	7.2
161.13258	21.6
163.11148	29.3
169.10126	14.7
171.11665	18.5
175.11223	10.6
175.14787	22.1
177.12740	15.3
179.10681	6.9
179.14288	71.1
183.11703	15.0
185.13263	23.5
193.15831	7.9
197.06033	9.5
197.13261	16.3
203.14276	29.2
211.07495	6.8
221.15363	92.5
226.02792	6.3
239.06833	37.5
239.09126	33.0
239.12637	15.3
239.18045	88.6
255.06487	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	239.1638
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05502	12.1
56.96549	2.6
57.03426	6.2
57.07067	5.9
60.34355	1.6
67.05485	9.6
69.03409	4.8
69.07058	17.4
70.65960	5.1
71.04974	4.6
79.05479	11.3
81.07047	27.0
83.08604	4.5
85.02891	3.2
85.06537	2.4
89.06012	2.4
89.36612	1.6
91.05472	24.6
93.07030	26.0
95.04959	7.1
95.08596	35.0
97.06522	4.0
105.07014	73.1
107.08580	40.0
109.06503	7.7
109.10136	16.7
111.04443	3.8
111.08070	2.5
115.05402	2.7
117.07000	25.1
119.08566	100.0
121.06487	27.4
121.10132	23.5
123.08076	6.6
123.11651	3.4
128.06223	5.2
129.07005	6.5
130.32147	2.0
131.08554	36.6
133.06477	5.5
133.10110	55.9
135.08046	5.8
135.10825	1.8
135.11667	11.3
137.09613	5.6
141.06976	2.6
142.07761	6.4
143.08507	19.2
144.09302	6.4
145.10114	28.1
147.08034	20.1
147.11678	30.1
149.09586	5.9
149.13272	7.9
149.27682	2.0
155.08606	2.9
156.09314	3.9
157.10130	15.5
158.10919	2.6
159.11682	38.0
160.08763	3.7
161.09596	24.8
161.13229	30.4
163.11171	8.7
163.14781	11.7
165.09146	3.0
165.12721	3.1
170.10905	7.8
173.13240	28.5
175.11220	4.6
175.14804	87.8
177.12688	6.1
179.10606	3.0
179.14325	4.1
181.12192	2.9
185.13235	21.8
189.62209	2.0
191.14273	61.4
193.15871	7.2
197.13242	2.6
203.14282	80.4
214.28935	1.7
221.15315	35.9
239.08913	5.4
239.16235	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	239.1638
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.95100	2.0
52.32112	2.1
55.01851	2.1
55.05511	12.6
57.03408	5.0
57.07064	6.7
60.21275	2.3
65.23228	1.7
67.05501	15.2
68.13980	2.0
69.03409	6.3
69.07064	19.2
71.04976	6.3
71.08616	2.7
71.62592	2.7
71.62957	2.5
77.01778	1.9
79.05489	13.6
81.07044	32.2
83.04948	2.0
83.08592	6.5
85.02875	4.5
85.06512	4.2
89.06042	11.1
91.05463	28.3
93.07034	34.6
95.04955	7.3
95.08598	37.7
97.06532	4.1
99.04397	2.9
105.07015	77.1
107.04914	2.9
107.08583	46.3
109.06494	8.0
109.10133	20.9
111.04455	3.1
115.05415	2.3
117.06997	25.6
119.08568	100.0
121.06474	25.4
121.10110	19.7
123.08079	5.2
123.11674	5.6
125.09591	2.7
128.06229	4.6
129.06976	7.4
131.08546	42.6
132.65463	2.2
133.06531	4.3
133.08580	4.5
133.10117	61.5
135.08017	7.4
135.11659	12.9
137.09596	5.2
137.13242	4.2
142.07753	5.7
143.08549	17.9
144.09294	7.3
145.10094	32.7
147.08026	22.8
147.11673	33.4
148.08855	2.2
149.09605	5.1
149.13231	8.6
151.11108	2.2
155.08534	5.0
156.09389	4.5
157.10126	16.7
159.07994	2.4
159.11679	45.9
160.08861	3.9
160.12474	2.7
161.09595	25.0
161.13235	35.9
163.11125	10.8
163.14780	9.1
165.09105	5.0
165.12779	3.6
166.69547	2.3
169.10092	2.5
170.10892	5.7
173.13239	30.3
175.11180	7.6
175.14809	96.0
177.12683	9.7
179.10632	5.0
179.14253	3.4
183.11653	2.8
185.13255	25.5
191.04182	3.2
191.12642	4.0
191.14284	63.8
193.15828	5.3
197.13307	3.4
203.14296	85.9
221.15341	45.0
225.48270	2.4
239.06921	5.2
239.08891	11.3
239.16260	46.6
241.00597	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	239.1638
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.02361	1.3
53.00297	1.3
53.03931	3.0
55.01861	11.0
55.05256	1.3
55.05502	16.7
56.96289	1.6
56.96558	24.9
57.03430	7.5
57.06805	1.4
57.07066	9.5
59.04989	1.8
59.06112	1.6
61.02900	1.7
65.03913	1.8
67.05167	2.2
67.05498	28.2
69.03426	13.9
69.07055	19.6
70.06570	1.6
71.01299	1.2
71.04986	12.6
71.08610	3.6
71.61131	1.4
73.02908	22.5
74.97620	1.8
79.05048	1.9
79.05483	23.0
81.03403	4.6
81.07051	46.6
83.04964	6.6
83.08615	6.8
84.08145	2.0
84.96011	3.8
85.02888	11.3
85.06055	2.2
85.06535	30.3
85.10142	1.2
87.04448	2.7
89.03914	6.6
89.06025	5.0
91.05466	24.8
93.07033	46.2
95.04957	24.3
95.08597	41.9
95.09038	0.7
97.02879	12.7
97.06544	7.9
97.10151	3.5
98.97553	11.1
99.04431	3.2
99.08076	3.6
103.05459	4.5
105.03386	1.8
105.07020	48.8
107.04929	4.0
107.08581	48.1
109.02864	3.0
109.05769	2.7
109.06506	46.4
109.07615	1.9
109.10142	23.2
110.97533	6.6
111.04434	1.5
111.08089	7.5
113.05997	17.1
113.09631	2.7
115.05435	2.2
116.06181	1.3
116.98607	9.3
117.03364	14.3
117.06999	5.0
117.89237	1.1
119.04951	3.4
119.08568	39.4
121.06488	12.3
121.09296	2.1
121.10134	32.9
123.04423	4.0
123.08049	20.9
123.11658	6.3
124.05183	1.4
125.09604	3.0
127.03976	1.6
127.07502	1.8
128.06122	1.9
128.98593	17.1
129.06993	2.2
130.07751	2.1
131.04880	1.9
131.08551	9.2
132.37311	1.3
133.06476	2.8
133.08588	1.6
133.10103	36.1
134.03571	1.7
134.99643	8.1
135.04382	2.1
135.08034	37.2
135.11671	18.4
137.05946	3.1
137.09586	11.6
141.05435	1.3
141.12660	1.4
142.07719	1.6
143.00148	3.2
143.08569	6.9
144.09236	1.3
145.02840	33.5
145.10085	12.6
146.03183	4.1
146.99625	20.6
147.04405	3.7
147.08009	6.3
147.11661	8.6
149.05946	4.9
149.09572	8.6
149.13251	8.5
150.00725	1.3
151.03906	1.7
151.07588	1.6
151.11163	8.7
152.98604	3.0
153.09068	3.2
155.00166	1.5
156.02498	2.3
157.10086	6.2
158.99683	4.0
159.07936	1.2
159.11684	3.6
161.01212	5.9
161.05981	1.8
161.09607	11.7
161.13240	14.7
162.99095	2.6
163.03865	2.8
163.07466	1.8
163.10008	1.3
163.11198	11.7
163.14830	5.3
165.00731	3.4
165.05449	1.6
165.09059	6.1
165.12737	1.8
167.10638	19.1
170.01141	1.4
170.10878	2.6
170.99628	10.7
173.01125	2.0
173.13252	9.4
175.11172	2.1
175.14833	5.7
177.00703	4.0
177.05447	52.7
177.98253	1.4
178.05780	4.8
179.10649	4.4
179.14325	3.2
180.03627	2.0
181.12199	7.4
185.13295	4.7
186.05525	1.3
189.00609	6.7
191.10616	1.3
191.14268	16.1
193.04906	5.1
193.08621	1.9
193.12247	2.6
193.15862	3.2
194.05618	4.7
195.06346	2.5
198.03557	4.6
201.00703	3.2
201.04045	2.3
203.14272	11.0
207.04144	31.6
207.54295	4.9
208.00461	2.7
209.15317	16.4
211.07591	2.3
216.04649	84.3
216.54828	11.5
218.54921	14.5
219.01703	5.8
219.04948	1.9
221.11743	2.3
221.15314	12.5
225.04462	1.7
227.55492	15.9
228.05595	3.5
235.99924	7.8
237.00754	1.4
237.02769	7.8
239.02184	2.4
239.06775	5.4
239.09000	16.3
239.12617	3.1
239.16394	100.0
240.06429	1.3
251.02206	2.5
254.00986	13.1
257.03064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1639
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03934	1.9
53.41280	1.0
55.01863	10.2
55.05260	1.6
55.05503	16.2
56.96550	2.6
57.03428	3.4
57.07066	9.1
59.04974	2.5
65.03899	2.3
67.05498	31.9
69.03421	10.3
69.06706	1.9
69.07061	23.5
70.01165	2.9
70.01582	3.7
70.06586	1.4
71.04977	13.1
71.08607	3.3
72.08128	1.2
74.32118	1.0
77.08566	1.1
79.05482	20.7
81.03403	1.6
81.06567	2.4
81.07046	44.0
83.04966	7.6
83.08614	7.4
85.02893	1.8
85.06534	32.4
85.10150	1.8
85.72127	1.0
89.06011	5.6
91.05471	19.3
93.07032	45.9
95.04959	20.2
95.08599	39.8
95.09091	0.8
95.09213	1.2
97.02890	1.9
97.06532	5.5
97.10146	2.6
99.04427	3.8
99.08081	5.2
105.07018	47.6
107.04903	2.3
107.08584	51.8
109.05775	2.4
109.06507	45.5
109.10146	27.6
111.04431	1.2
111.08043	6.3
111.11703	1.5
113.05301	1.8
113.06009	15.5
113.08215	1.6
113.09592	2.4
115.05406	1.5
116.98623	1.2
117.07032	5.8
119.08562	44.3
121.06492	14.9
121.10127	36.1
123.04417	2.9
123.08043	21.7
123.11722	6.9
125.05927	1.7
125.09583	3.1
130.07777	1.1
131.08528	9.6
133.06506	1.5
133.08601	1.8
133.10114	41.6
134.99609	1.5
135.08037	33.8
135.11685	20.7
137.05984	2.1
137.09605	12.4
137.13213	1.4
139.07542	1.8
139.11151	2.8
143.08528	4.4
145.06512	1.3
145.10117	13.0
146.07233	1.3
146.95059	1.2
147.04411	2.5
147.08029	5.0
147.11659	8.6
149.09610	7.4
149.13196	6.8
151.03824	1.5
151.11163	6.0
153.09079	2.2
155.08372	2.0
155.10576	2.0
156.09277	1.2
157.10100	4.6
159.11642	3.2
161.05977	2.0
161.09583	10.0
161.13248	15.0
163.03940	1.3
163.11180	11.7
163.14790	6.1
165.09113	6.3
165.12709	2.5
167.10646	19.0
173.13322	5.7
175.07462	1.8
175.11180	3.5
175.14827	9.8
176.15181	1.1
177.05396	1.5
177.09087	2.3
177.12753	2.0
179.10649	2.0
179.14322	3.1
181.12244	8.4
185.13272	3.7
191.14279	15.6
193.08507	2.7
193.12189	2.1
193.15912	1.7
197.08130	1.4
203.10770	1.7
203.14301	10.4
206.02045	1.5
209.15370	13.4
211.07576	2.7
221.11780	2.1
221.15347	11.8
239.05093	1.8
239.07172	2.3
239.08952	18.0
239.16389	100.0
240.06467	2.7
240.09108	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2366
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00290	0.7
53.03951	1.4
55.05505	16.1
57.03441	0.8
57.07069	100.0
65.03931	0.9
67.05496	38.3
69.07059	21.4
69.30997	5.7
69.31416	1.5
71.04994	1.6
71.08623	65.5
72.04515	2.5
73.04850	0.6
73.26495	0.7
79.05480	3.2
79.49356	0.6
81.07047	44.3
83.04981	0.7
83.08611	23.8
85.06553	2.5
85.10174	30.7
88.02209	1.5
89.06034	2.1
91.05489	1.4
93.07063	2.4
95.08595	63.2
97.06502	0.6
97.10168	11.1
97.10775	1.0
99.08107	0.9
99.11755	1.3
105.07024	1.1
105.59339	0.6
109.06578	0.9
109.10146	23.4
111.11720	1.4
119.08573	1.0
123.11708	7.0
133.06451	0.5
133.08604	1.1
137.09651	0.7
137.13257	2.7
141.07018	1.1
143.08553	1.7
149.42529	0.6
151.14864	1.0
155.08607	2.6
157.10143	1.6
159.11752	0.8
169.10208	2.3
171.11681	1.5
183.06656	0.9
183.11754	2.8
197.13191	3.2
211.14806	0.7
239.09032	2.5
239.12785	1.1
239.17952	10.9
239.23720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1591
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
53.82270	0.5
55.01870	6.4
55.05494	1.4
56.05039	0.7
61.08773	0.5
67.05482	3.5
68.05007	2.1
69.03419	0.9
69.06709	1.0
69.07062	11.6
69.94775	3.6
70.02933	1.4
70.06582	15.1
71.04987	16.1
79.05484	3.9
80.04998	1.3
81.07043	3.8
82.06559	1.2
83.04970	1.0
83.08604	0.5
84.02096	1.3
84.04478	1.0
86.06058	2.8
91.05455	1.2
93.07024	1.7
94.06543	0.9
95.04941	0.8
95.08592	1.9
96.04473	2.5
96.08121	18.5
96.08788	0.9
97.05267	1.1
97.06516	2.3
98.06029	1.2
98.09680	7.6
98.97574	0.8
105.06992	0.7
106.06554	4.9
107.08580	2.6
108.08097	4.7
109.06512	1.0
109.10133	1.5
110.06013	0.9
112.07535	0.7
116.98598	1.3
119.08573	0.7
120.08096	1.2
121.10128	1.4
122.06020	8.2
122.09608	0.6
124.07578	57.4
124.11194	1.3
125.08389	3.6
126.09149	1.0
134.09644	0.9
134.99622	0.7
135.08023	1.0
136.07547	1.5
137.09608	1.5
138.09116	0.7
140.07036	9.3
145.10156	0.6
148.07574	0.9
148.11090	0.6
150.12756	4.8
152.07066	3.1
152.10651	1.4
153.07855	9.8
154.04051	0.6
176.14317	3.5
182.23616	0.6
194.15401	8.2
204.13817	6.8
222.14859	100.0
223.15181	1.2
240.06807	0.9
240.15891	4.8
241.08447	1.0
241.14215	0.6
262.27432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30046	0.5
56.96560	21.9
57.41225	0.5
59.56874	0.6
69.66325	4.1
70.63957	0.6
71.95251	2.4
77.00912	1.0
81.03411	0.8
85.02911	1.1
95.01909	0.6
95.08572	0.6
98.97573	79.8
99.97931	1.0
101.00880	1.6
109.02863	0.7
116.98605	100.0
117.98957	0.8
119.01905	11.5
120.02108	0.6
121.01659	2.1
128.98566	0.9
131.01945	0.7
134.99644	86.3
135.99992	1.6
137.00067	0.7
137.02971	5.4
139.02676	0.9
140.00194	3.7
142.03513	0.7
145.00424	1.3
147.52588	0.7
153.00694	18.5
156.97437	1.1
157.00435	1.1
157.03488	1.1
158.01256	8.5
161.02960	0.9
174.98676	0.8
176.02339	1.7
177.00777	5.1
179.00795	0.5
180.00777	1.0
189.01022	1.0
190.01015	1.0
190.50897	0.7
194.91273	0.6
194.97539	1.8
195.01752	2.5
195.05020	0.9
201.00798	0.7
203.96989	5.2
204.47177	1.2
206.47282	1.3
208.02130	0.9
208.52261	0.9
212.97562	2.5
213.06085	1.6
214.96419	1.3
215.47780	2.8
215.98001	0.8
217.02481	1.6
217.09163	0.7
217.52519	0.9
217.99139	1.3
218.06761	1.1
218.97598	0.7
219.01976	9.9
221.05106	0.8
226.03102	1.6
226.53168	1.0
234.99794	2.2
235.99989	0.6
236.07704	1.8
236.98572	14.3
239.06078	1.2
240.98093	10.9
241.01311	1.3
242.03473	1.3
248.94305	0.7
254.93114	0.7
254.99564	0.6
258.96741	1.4
258.99777	27.9
259.02426	3.5
259.99963	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	22.3
61.02913	3.3
65.38648	2.7
67.37135	2.8
68.19536	3.0
69.03421	3.0
69.40134	2.9
70.23479	13.5
70.68202	2.6
71.95213	4.0
72.55419	2.7
77.00906	5.8
81.03355	2.7
85.02881	4.3
85.34721	2.9
95.01944	3.2
97.02828	3.9
98.97575	67.0
101.00845	4.2
116.98619	100.0
119.01892	23.9
120.01989	2.4
121.01675	7.9
131.01907	3.6
134.99651	83.4
137.02928	4.0
143.01874	4.1
145.03459	6.8
147.20731	2.7
153.00708	21.5
157.03477	9.2
158.01248	7.2
159.03220	3.3
161.02963	9.6
163.02682	6.4
173.02902	5.0
177.00772	5.7
177.60924	2.8
192.98636	2.9
195.01828	3.1
199.00380	3.9
201.06004	2.8
203.03987	6.9
205.03587	3.0
216.98599	5.1
219.02112	3.0
221.05019	9.8
223.04904	5.8
236.98488	4.3
239.06001	13.3
240.98331	4.4
241.01459	12.3
241.05919	7.6
258.99716	9.2
259.02463	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.0
56.96317	1.4
56.96557	13.4
57.03428	2.2
57.07050	2.1
57.43523	1.1
58.06593	14.6
59.94236	1.1
61.02917	2.1
63.65911	1.0
69.03404	4.1
69.07053	1.5
70.06573	3.1
70.21219	4.1
71.05011	1.5
73.02905	3.8
81.03404	1.6
84.08134	7.3
85.02923	5.2
91.83699	1.0
93.03697	2.9
95.08575	1.4
97.02872	4.1
98.97569	21.1
109.02815	1.3
116.98607	23.7
117.01901	1.1
119.01890	4.0
127.01508	1.9
127.03935	2.5
128.10689	3.5
128.98598	2.6
131.01921	1.9
133.03397	1.5
134.99649	16.2
136.04565	1.4
136.06129	1.1
137.02873	1.5
146.99693	2.2
147.05785	1.5
148.03781	1.4
149.02892	1.6
153.00693	4.1
154.03746	1.3
158.01251	4.4
158.99669	1.3
161.02913	1.8
172.04482	1.3
176.02277	2.2
177.00693	4.9
177.02243	1.7
190.98668	1.8
191.02266	1.4
191.03809	1.2
192.02612	1.0
195.01730	3.4
196.09666	4.6
200.04224	1.6
210.83340	1.0
217.00026	1.6
218.05225	1.5
219.01689	2.2
232.06204	1.1
237.02753	2.3
241.15451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03936	0.2
55.05506	1.3
56.05032	0.4
56.96563	4.5
57.03429	0.7
57.07065	0.7
58.06595	13.9
61.02899	0.7
61.40074	0.3
67.05488	0.5
69.03407	1.1
69.07050	0.9
69.50880	2.3
70.06586	2.4
71.04971	0.6
72.08140	0.6
73.02905	1.0
73.06560	0.3
75.02666	0.3
79.05480	0.4
81.03412	0.6
81.07049	0.8
83.04972	0.7
83.08633	0.5
84.04519	0.3
84.08134	8.5
85.02895	1.8
85.06514	0.5
91.05463	1.2
92.05801	0.4
93.03697	1.4
93.07043	0.6
95.04940	0.3
95.08610	0.4
97.02887	1.9
97.06474	0.3
97.10175	0.3
98.06031	0.5
98.09678	1.0
98.97572	5.8
99.04456	0.5
99.97857	0.3
100.11216	0.4
107.08592	0.3
109.02841	0.6
109.10147	0.4
110.07177	0.3
111.04455	0.2
114.05508	0.6
116.07058	0.4
116.98605	6.6
118.03502	0.3
119.01919	1.5
119.04938	0.8
121.10079	0.4
123.04437	0.4
124.07594	0.3
126.05507	0.4
126.09145	0.6
127.03899	0.6
128.10709	3.1
128.98590	0.6
129.06978	0.3
130.06558	0.7
131.01836	0.4
134.99643	6.3
136.04550	0.3
137.02994	0.6
137.05966	0.7
138.06337	0.3
140.00194	0.4
143.01857	0.3
144.10236	1.0
145.03400	0.4
146.99640	0.8
147.03297	0.4
147.04401	1.3
147.05736	0.8
148.04732	0.8
149.02902	0.3
151.02753	0.3
152.07124	0.4
153.00673	1.2
155.04651	0.7
158.01205	1.4
158.99623	1.2
161.01198	0.7
161.02911	0.8
161.04669	0.5
163.02686	0.3
165.00702	0.4
165.05432	0.4
167.02269	0.3
167.08504	0.5
168.10141	1.0
169.04390	0.3
170.05144	0.6
172.04567	0.4
173.02922	0.3
175.02745	0.4
175.04184	0.4
176.02316	0.5
177.00710	3.0
189.00691	0.3
191.03914	0.4
193.00117	0.3
195.01756	1.4
195.08032	0.6
196.09709	4.6
200.02252	0.5
201.02359	0.6
204.05708	0.3
205.00221	0.3
208.55151	1.0
213.05748	0.3
213.15952	0.5
217.00117	0.3
217.05566	0.4
217.55605	1.7
218.05138	0.5
219.01660	1.0
219.03539	1.1
237.00731	0.3
237.02888	1.2
241.15443	100.0
242.04678	0.3
242.15823	1.1
259.10223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
57.07067	4.9
67.05502	3.4
69.07057	6.9
69.41826	3.5
71.08624	0.8
72.57423	0.5
79.05499	3.2
81.07040	4.4
83.04974	0.4
83.08620	2.6
91.05473	5.7
93.03707	2.5
93.07043	2.6
93.64571	0.5
95.04955	0.8
95.08597	4.3
103.05466	0.7
105.07021	6.4
107.08566	2.3
109.10138	1.3
115.05440	1.8
116.05280	0.6
116.78841	0.4
117.07005	24.0
119.08570	3.5
121.10132	2.5
128.06174	2.8
129.06989	15.2
131.08553	23.8
133.10121	5.4
134.99670	0.6
135.11629	0.5
138.50810	0.4
141.06941	1.4
142.07822	2.4
143.08546	17.4
143.09673	1.0
144.09329	0.6
145.10104	11.6
147.11671	7.1
149.13225	0.7
149.59023	0.5
155.08525	1.4
156.09360	1.3
157.08951	0.3
157.10104	10.9
159.11676	27.9
161.13257	2.6
167.08508	1.1
169.08852	0.5
169.10060	2.1
170.10892	0.7
171.11674	15.5
173.13246	28.4
182.85454	0.5
183.11673	1.6
184.12498	1.3
185.13237	24.2
187.14795	2.6
195.06433	0.5
195.08168	0.9
197.13153	0.6
199.14804	24.9
212.15639	0.8
213.16345	3.8
223.07391	0.7
223.13188	0.9
239.17986	0.5
241.08572	1.9
241.19485	100.0
242.19855	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1588
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03926	2.8
55.01851	3.8
55.05499	25.1
55.31487	1.2
56.96566	3.4
57.03410	6.0
57.07058	3.0
58.09190	1.3
59.04991	16.5
61.02911	2.5
65.03909	1.7
67.05493	46.5
68.99791	1.4
69.03419	3.9
69.07053	15.7
71.01333	1.5
71.04981	36.9
71.61768	1.8
72.64926	1.2
73.06555	1.3
79.05480	40.7
79.65189	1.5
81.03407	28.3
81.07045	59.8
82.65710	1.3
83.04470	2.1
83.04955	17.2
83.08607	11.4
85.02892	1.7
85.06532	14.4
87.04441	5.1
91.05465	56.3
93.06458	2.8
93.07025	36.0
95.04948	15.8
95.08595	27.9
97.02847	2.8
97.06505	14.2
97.10144	4.3
98.97550	4.8
99.04401	3.4
99.08065	3.5
101.05987	2.9
105.07016	35.7
107.04937	5.2
107.08578	37.3
109.02859	1.7
109.06499	10.1
109.10162	5.5
111.04420	2.8
111.08062	8.3
113.05977	5.9
115.05408	2.3
116.98603	4.1
117.06998	1.6
119.07778	1.9
119.08566	24.4
121.06495	2.5
121.10126	25.9
123.08022	7.6
123.11687	6.5
125.05997	1.8
127.07470	1.9
129.06976	11.9
131.08551	26.0
133.06461	3.0
133.10114	36.9
134.99634	1.6
135.11684	3.1
137.09612	3.2
137.13214	1.6
139.11145	2.4
141.05487	1.7
141.06908	1.5
142.07758	3.3
145.10068	3.5
147.08032	4.7
147.10472	2.3
147.11662	42.7
149.09592	37.0
149.13232	1.4
151.11118	3.1
155.08516	2.0
157.10106	23.7
159.11656	3.1
165.09085	1.5
165.12692	4.5
167.10666	6.3
169.04950	3.9
169.10086	2.1
171.11707	1.2
173.09596	1.4
175.11143	25.6
177.00607	1.6
179.14313	4.3
179.27643	1.1
187.07411	1.4
187.14745	2.0
193.12209	33.0
197.05875	1.3
197.13469	2.7
197.15321	23.6
199.07440	1.5
199.13203	6.3
201.00703	2.7
201.09113	1.3
207.13776	2.5
211.13266	28.6
219.01875	1.5
225.09181	2.9
225.14803	100.0
243.06528	3.1
243.10204	8.9
243.13718	5.1
243.15759	4.0
243.21103	2.0
249.02835	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	244.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12587	0.2
56.96555	1.0
69.51945	0.8
69.52364	0.6
77.00902	0.4
95.01924	0.3
97.02898	0.2
98.97575	1.1
101.00867	0.7
102.00961	0.3
105.07629	0.2
116.98600	1.4
117.06992	0.2
117.98973	0.3
118.03500	0.5
119.01907	11.3
119.98115	0.2
120.02000	4.5
121.01645	0.8
131.01854	0.2
134.69177	0.2
134.99657	1.6
135.99950	0.8
137.02946	6.6
138.03029	2.2
138.98926	0.7
139.02670	0.5
141.98961	0.2
142.03458	1.5
153.00809	0.5
154.01030	0.8
155.00653	0.2
159.99956	0.5
160.04521	1.1
161.02943	2.4
161.04253	0.3
166.99620	0.3
173.02974	0.2
177.00935	5.2
177.07619	0.4
178.01021	18.3
179.00684	4.7
179.03972	2.9
183.99977	0.3
184.04541	0.5
194.04231	0.6
196.02081	0.6
201.02626	0.6
202.00937	1.2
202.05537	0.8
203.00699	0.5
203.03918	0.5
218.04016	3.7
219.01967	4.5
219.03844	0.6
220.02089	24.0
221.01758	11.5
221.05086	0.5
221.10194	0.7
222.02486	0.3
226.00897	1.9
227.00731	0.4
236.99611	0.2
239.09552	0.2
242.03505	0.2
243.03729	1.2
244.01889	6.0
245.01552	1.0
245.05034	0.4
255.06206	0.2
261.04935	0.2
262.03156	100.0
263.02829	14.2
264.03574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07407	0.2
53.99598	0.3
55.01867	0.7
56.96560	21.7
57.03424	1.5
58.99855	2.1
60.08163	0.2
61.02921	2.6
68.98293	0.5
69.03419	3.1
69.93092	0.3
69.93715	1.0
70.02966	0.3
70.03725	0.2
70.06575	1.8
70.98118	0.6
70.99847	0.4
71.04990	0.7
71.95258	1.7
72.08144	1.4
72.96037	0.9
73.02911	1.2
74.03228	0.3
74.06086	0.3
74.23230	0.2
74.97620	0.7
77.00897	4.0
81.03411	2.3
82.99876	2.5
83.06120	0.3
84.04491	0.9
84.08150	0.6
84.96025	1.0
85.02898	3.8
86.03215	0.4
86.09679	0.5
86.99301	1.3
87.04457	0.5
88.99156	0.6
89.00863	0.6
94.99818	0.6
95.01935	1.6
97.02884	6.6
98.97572	7.0
100.02451	0.3
101.00863	17.9
103.02427	1.2
103.03943	0.2
104.10733	5.0
105.00362	3.2
105.02134	0.4
107.00172	0.2
109.02859	2.8
110.04805	0.2
110.97581	0.3
112.05079	3.2
112.99148	0.3
113.00874	1.9
113.03490	3.0
113.04737	0.6
113.05417	2.4
115.02417	2.6
115.03915	0.3
116.07077	1.1
116.98613	8.5
118.01096	0.8
118.03565	0.4
119.01908	100.0
120.00620	0.3
120.01991	1.9
121.01591	0.5
121.02439	0.3
121.03460	0.9
123.01385	1.1
124.02484	0.9
124.95476	0.7
125.00901	0.3
125.07104	0.6
126.01781	0.3
127.02415	2.0
127.03921	1.3
128.98581	0.8
129.00322	0.7
129.03966	2.6
131.00194	0.8
131.01892	17.7
132.01927	0.7
132.52678	0.3
133.01685	0.6
133.03448	5.3
134.99648	11.2
135.03156	0.5
137.02940	26.7
138.01691	0.3
138.03058	0.7
139.02397	1.8
140.00188	0.4
140.98552	0.5
141.03070	1.3
141.04019	0.4
141.53236	1.3
142.01836	0.5
142.02286	0.3
142.03488	5.3
142.96519	2.3
143.01884	16.4
144.02754	0.5
145.03448	24.2
146.03586	0.7
146.99669	1.5
147.01379	4.2
147.05013	3.3
149.01183	1.5
149.02953	3.3
149.06587	0.3
150.01738	0.5
150.03635	0.5
150.51862	0.4
150.53773	0.7
151.04460	0.8
151.53891	0.3
153.00667	2.3
153.04015	0.8
154.03561	0.6
154.54802	0.7
155.01878	21.9
156.02550	0.8
156.03738	0.4
156.53777	0.5
156.98042	0.2
157.03455	17.7
158.01256	0.9
158.03592	0.5
158.99583	2.1
159.05016	0.9
160.02835	0.3
160.04544	1.2
160.97578	4.0
161.02942	39.2
162.03096	0.9
162.99152	0.6
163.02829	0.4
163.04492	8.6
163.54475	0.7
164.02406	0.5
164.04967	0.5
164.98940	0.4
165.00693	1.8
165.02266	0.4
167.00465	0.3
167.01869	9.2
168.05080	1.5
169.03418	3.1
169.04668	0.4
170.02974	0.4
170.96027	1.0
171.05029	6.7
172.04596	0.2
173.02945	37.2
174.03076	1.6
174.99124	1.1
175.02969	0.4
175.04524	8.8
175.06071	0.5
176.02345	0.3
177.00699	2.2
177.02383	0.7
177.03922	0.3
178.01083	0.3
178.03487	0.6
178.04869	0.4
178.98607	1.0
179.01875	5.4
179.04025	1.3
180.05110	0.5
181.00110	0.3
181.03510	0.8
183.04980	0.4
184.02214	0.4
184.02780	0.3
184.04543	3.5
184.06319	0.7
184.97606	1.1
185.02942	76.8
186.03101	1.2
186.99083	0.3
187.04509	7.8
188.00635	0.4
188.97057	10.0
189.00677	0.8
189.02385	0.4
189.06044	1.1
190.98613	0.8
191.04001	3.8
191.07838	0.3
191.53996	0.3
193.00175	2.9
194.02985	0.3
194.06624	0.6
195.01770	0.8
195.11276	0.5
196.04533	3.0
197.02940	32.4
198.03142	0.5
198.06088	0.4
199.04468	1.3
199.06192	0.5
200.02133	0.3
201.00667	0.3
201.06068	0.3
202.98668	4.2
203.03992	24.1
204.04314	0.7
205.00154	0.3
205.05640	1.3
206.03920	0.3
206.05750	0.4
206.98112	10.5
207.98402	0.4
208.04526	6.4
208.99730	0.5
209.02980	0.9
210.06073	0.5
211.01218	0.4
211.98633	0.7
213.05786	0.3
213.55357	0.3
215.03983	13.0
217.05525	0.6
219.01712	0.5
220.04440	2.1
220.99686	4.8
221.05045	12.2
222.03087	0.3
222.05325	1.0
223.04610	0.3
224.99127	0.9
226.00160	0.8
226.05579	1.5
227.03976	5.7
227.06102	0.4
227.10365	0.6
227.13918	0.4
229.99759	0.4
230.98154	1.6
233.05023	0.8
235.54834	0.6
235.56833	0.6
236.04675	0.6
237.02745	0.6
238.03432	0.3
238.05533	1.3
239.00719	1.0
239.06017	0.3
240.06229	0.4
244.06561	0.3
244.57127	0.7
245.05043	63.8
245.11432	1.5
245.14862	0.8
246.05223	1.0
248.99179	1.0
263.06070	5.5
263.08667	0.3
268.06680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0806
Annotation	2,6-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
52.07506	0.3
53.03942	4.6
55.05494	0.6
56.96556	1.3
57.03429	0.4
57.89536	0.3
62.06092	0.3
65.03932	2.5
67.05494	0.5
68.99781	0.5
69.03435	0.5
69.07060	4.4
70.06597	0.7
71.05007	0.4
79.05487	1.0
81.03412	10.1
81.07047	0.5
83.04968	0.7
85.02889	0.7
86.09697	36.0
91.05471	100.0
92.05809	1.1
93.07050	0.7
95.04942	0.7
95.08611	0.4
97.02853	0.6
98.01878	0.3
98.97574	1.4
99.04455	0.4
105.07030	1.1
107.04951	0.4
107.08586	0.6
109.02807	0.5
109.10203	0.4
111.04436	0.4
115.05437	0.6
116.98615	0.9
117.07014	0.6
118.87782	0.4
119.08570	0.7
121.02879	1.0
121.10143	0.4
123.11688	0.5
128.06215	0.6
129.07028	0.7
131.08560	0.9
132.10213	0.7
133.06384	0.4
133.10124	0.6
134.99602	1.0
135.08011	0.4
137.05984	0.7
142.03220	1.8
142.07742	0.7
143.08583	0.6
145.10165	0.7
147.04388	0.4
147.08032	0.7
149.02313	3.6
156.09386	0.6
157.07623	0.4
157.10034	0.8
159.03358	0.4
159.07990	0.5
167.03384	38.8
171.03197	0.4
171.04471	0.9
171.08032	0.5
171.11711	0.5
177.00722	0.4
185.09627	0.7
187.07571	0.6
189.04248	0.6
199.03941	0.7
199.07617	0.4
199.11154	1.3
203.10710	0.7
217.05060	0.6
227.06978	3.6
227.10693	1.5
227.16325	0.5
245.04475	14.2
245.08119	26.6
245.11452	2.7
245.13612	1.0
245.18588	1.9
246.04709	0.5
246.08406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1857
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05500	1.0
56.96555	0.9
57.07073	0.5
67.05490	0.5
68.99773	0.4
69.03426	0.9
69.07067	0.9
69.09599	0.3
70.06573	0.4
71.04990	0.5
71.60715	0.4
72.08157	0.5
79.05489	0.5
80.05029	0.7
81.07045	0.9
83.04988	1.4
84.08101	0.3
85.02900	0.6
86.09699	100.0
87.04458	0.7
91.05479	1.4
93.07051	0.7
95.04980	0.8
95.08586	0.7
97.02861	0.5
98.97585	0.6
99.04430	0.3
99.08076	0.4
105.07017	0.9
107.04966	0.5
107.08598	0.6
109.06538	0.5
114.03748	0.3
115.03918	0.7
115.05463	0.9
116.98621	0.6
117.07039	0.4
119.08583	0.5
121.10081	0.4
123.04474	0.3
128.06201	0.4
129.06993	0.8
131.08540	0.8
132.10191	3.6
133.10133	0.4
134.99652	0.4
135.08092	0.3
137.05974	0.4
141.06937	0.6
142.03226	1.9
142.07753	0.4
143.08525	0.5
145.06464	0.4
145.10089	0.7
147.04384	0.6
151.03914	0.3
155.08560	0.5
157.10135	0.7
159.08015	0.4
161.05978	0.3
163.07584	0.4
170.02684	0.7
171.04419	0.4
171.08102	0.3
171.11688	0.3
173.13257	0.4
175.11198	0.4
177.00697	0.4
184.10054	0.4
185.09583	0.6
187.07561	0.9
189.05498	0.5
199.03918	0.6
199.07484	0.3
199.11212	1.2
199.18074	1.7
203.10677	0.6
205.03427	0.4
206.04236	0.6
217.04977	0.8
224.05203	0.4
227.10707	1.0
227.12160	0.5
227.14124	0.3
227.16362	0.6
245.04431	8.3
245.08084	0.8
245.11504	2.6
245.15475	0.5
245.18571	6.5
245.22551	0.3
246.04787	0.4
246.11246	0.7
248.05344	0.5
268.57846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.3
57.07059	3.8
57.21257	1.8
59.63778	1.7
67.05477	6.3
69.07055	13.5
70.73768	6.2
73.43596	1.7
79.05466	4.6
81.07044	23.9
83.08598	6.6
91.05463	4.2
93.07017	15.9
95.08594	29.8
97.10130	3.5
105.07015	16.5
107.08584	24.9
109.04009	1.7
109.10149	20.3
111.94092	1.8
119.08575	13.4
121.10127	22.7
123.11670	14.2
133.10086	12.1
135.11702	15.0
137.13245	7.2
138.99466	1.7
147.11742	10.6
149.13229	30.0
157.10008	1.7
161.13246	11.7
163.14789	13.7
175.14815	22.2
189.16393	20.8
203.17900	7.9
217.12169	1.7
217.17694	2.1
245.11674	5.6
245.22621	100.0
246.22830	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05496	3.1
57.07065	0.9
67.05501	2.9
69.07063	5.5
70.05394	2.2
71.37971	0.6
79.05493	3.0
81.07056	5.1
83.08607	2.0
91.05461	5.9
93.07030	9.7
95.04958	0.6
95.08600	8.3
105.07014	12.9
105.07671	0.5
107.08585	12.6
109.06492	1.3
109.10142	2.8
115.05434	0.9
117.06994	3.4
119.08566	18.8
121.10126	4.4
123.08033	0.9
129.06966	1.1
130.07742	1.1
131.08545	15.4
133.10121	24.3
135.08037	1.4
135.11668	1.0
139.07515	1.0
143.08559	2.4
145.06445	0.8
145.10107	24.2
147.11641	5.4
149.05980	1.2
149.09590	1.3
151.07529	1.7
153.09149	0.8
157.10098	2.0
158.10812	0.7
159.08037	1.0
159.10423	1.1
159.11678	15.9
161.13246	3.2
163.07503	2.5
165.09166	0.8
171.11658	1.5
172.12425	0.8
173.09615	1.7
173.13242	8.3
175.14821	1.0
177.09097	12.6
179.10651	1.8
183.11833	0.8
186.13974	3.2
187.11171	2.3
187.14827	1.1
189.09090	2.0
191.10683	2.2
200.24213	0.6
201.16364	100.0
202.16719	1.0
203.17906	4.9
219.13696	0.7
219.17387	3.4
229.12213	2.2
229.15829	7.0
247.13094	1.7
247.16905	30.6
247.24387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.53792	0.5
52.10698	0.6
55.05479	1.9
55.48886	0.5
56.50531	0.6
67.05476	2.3
69.07056	3.0
70.97268	1.5
72.27375	0.5
77.29076	0.5
79.05469	3.1
80.51350	0.5
81.07030	4.9
83.08598	0.7
91.05466	3.6
93.07019	5.8
95.04928	0.6
95.08596	6.1
105.07021	7.2
107.08572	7.4
109.06467	1.3
109.10117	2.7
117.06966	1.7
119.08566	10.6
121.06417	0.8
121.10121	4.8
123.11687	0.8
128.06177	0.6
129.07076	0.9
131.07576	0.9
131.08549	16.7
133.06525	0.7
133.10117	6.8
135.11647	0.7
143.08521	1.1
145.10101	23.1
147.08121	0.7
147.11658	4.4
149.05943	0.6
149.09528	0.6
157.10156	1.3
159.11668	14.5
161.09587	0.6
161.13214	2.4
171.11568	1.1
173.13234	5.1
175.14771	1.7
177.09071	1.5
179.10666	0.9
183.11655	0.6
186.13962	1.9
187.11156	1.1
189.09088	2.1
191.10628	1.7
201.16353	100.0
202.16685	1.5
203.17897	4.1
212.12854	0.5
219.17422	5.9
229.12233	1.1
229.15840	2.3
229.19348	1.2
247.05937	0.8
247.13051	2.0
247.16907	37.7
247.20705	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.47004	1.2
50.73401	1.2
55.05500	10.2
57.07043	2.4
59.05012	2.3
67.05495	6.6
69.07074	6.1
70.62257	2.8
70.62622	2.7
79.05473	4.4
81.07061	8.2
83.08595	5.0
88.10894	1.1
91.05477	13.0
93.07035	19.3
95.04949	1.9
95.08599	16.0
97.10167	1.6
105.06367	2.1
105.07021	28.0
107.08579	25.2
109.06469	2.0
109.10143	6.2
115.05428	1.3
117.07014	6.5
119.08575	41.4
121.10123	8.1
123.08021	1.6
123.11669	1.5
129.06958	2.6
130.07736	1.8
131.08557	26.6
133.10109	62.1
135.04425	1.7
135.08017	2.0
135.11696	1.6
137.13213	1.5
139.07503	3.7
143.08496	2.8
144.09314	2.7
145.09027	2.5
145.10110	38.8
147.11656	8.5
148.70285	1.3
149.09564	2.7
151.07507	4.7
155.08461	1.5
157.10081	3.8
159.08014	4.3
159.11668	33.8
161.09622	1.6
161.13237	5.5
163.07506	7.5
165.09067	4.0
171.11668	1.4
172.12451	2.9
173.09579	5.1
173.13251	18.3
175.07552	1.4
175.14812	3.0
177.09094	39.5
179.10612	1.2
187.11166	4.4
187.14790	1.6
189.09151	2.2
191.10616	5.5
201.16359	100.0
203.17883	9.8
219.17445	3.4
229.12375	2.5
229.15829	13.0
247.13292	2.9
247.16881	33.0
247.19632	1.7
247.20605	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79769	1.1
55.05505	12.6
55.62113	1.2
57.07052	2.2
64.99224	1.2
67.05486	9.8
69.07075	6.8
69.07990	1.4
69.61399	4.2
69.61831	6.0
71.93874	1.5
75.00753	1.1
79.05487	8.9
81.07066	9.2
83.08604	5.2
85.48936	1.4
91.05470	15.0
93.07033	24.0
95.04931	1.5
95.08598	22.1
97.10165	3.1
98.21559	2.0
98.98458	5.1
105.07016	29.8
107.08578	32.4
109.06485	3.5
109.10135	7.7
115.05450	2.5
117.06966	8.8
119.08563	52.9
121.10133	9.5
123.07991	2.7
125.09593	1.7
127.07534	1.3
129.06943	1.4
130.07759	1.4
131.08549	27.8
133.06462	1.8
133.10114	66.9
134.10439	2.1
135.08073	2.9
135.11681	1.3
139.07510	2.5
142.07695	1.4
143.08574	3.5
144.09363	3.7
145.06502	2.0
145.10103	33.2
147.08003	2.4
147.11644	11.3
149.05980	4.3
149.09587	3.6
151.07541	5.8
153.09099	2.0
157.10114	3.9
159.08022	5.7
159.10420	2.7
159.11679	39.0
161.13237	7.6
163.07513	8.4
165.09096	4.1
171.11694	2.7
172.12532	2.8
173.09619	5.9
173.13240	18.7
175.07584	1.7
175.14751	2.7
177.09084	49.2
179.10716	1.9
183.11646	2.5
186.14040	2.0
187.11172	6.2
187.14728	3.0
189.09116	4.2
191.10657	5.4
201.16359	100.0
203.17902	11.3
205.12308	1.8
211.14746	1.7
219.17397	4.0
229.12154	2.5
229.15875	17.3
247.13269	4.6
247.16908	32.8
247.20541	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.63223	1.2
53.03923	1.4
55.05500	13.2
57.07049	3.1
59.04977	1.4
66.05379	1.2
67.05492	9.5
69.07056	7.2
71.04977	1.2
79.05482	9.4
81.07040	11.3
82.96935	1.1
83.08618	6.3
86.14583	1.3
91.05470	16.8
93.07035	26.0
95.04935	3.5
95.08591	23.2
97.10129	4.1
98.98463	6.0
99.08092	1.3
103.05474	1.5
105.07021	32.8
107.04913	1.4
107.08579	31.2
109.06476	3.2
109.10168	7.4
117.07005	11.1
119.08573	46.8
121.06500	4.1
121.10138	13.7
123.08035	1.4
123.11665	1.6
125.09589	2.4
128.06195	2.4
129.06955	2.9
130.07779	2.7
131.08549	34.6
133.10110	68.0
135.04372	1.4
135.08043	4.4
135.11661	1.7
139.07463	1.7
143.08543	6.3
144.09303	2.5
145.06483	2.9
145.10101	41.6
147.08005	2.5
147.11655	12.5
149.05907	1.8
149.09587	2.9
151.07571	3.9
153.09058	2.3
157.10077	5.5
158.10876	2.2
159.08025	6.4
159.11678	44.5
161.09679	1.5
161.13248	9.1
163.07524	9.2
165.09087	3.8
171.11633	1.7
172.12463	3.5
173.02077	2.1
173.09599	7.0
173.13243	20.0
175.14761	4.1
177.09096	40.8
179.10576	1.6
183.11722	3.2
185.13228	1.3
187.11156	5.3
187.14726	3.5
189.09067	4.1
191.10606	5.9
201.12689	3.6
201.16353	100.0
202.16722	1.6
203.17917	12.7
205.12215	2.4
211.14786	2.3
219.13918	2.0
219.17439	5.5
225.34334	1.3
229.12186	5.0
229.15872	19.7
229.19188	1.4
231.57043	1.3
247.13200	5.2
247.16901	47.1
247.20529	3.8
251.56395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05513	14.0
57.07072	2.1
58.52885	1.6
59.30363	1.7
60.96296	1.6
67.05498	6.3
69.07065	8.7
69.98145	11.1
78.76021	2.0
79.05494	7.5
81.07054	11.6
83.08618	4.7
84.93757	1.9
91.05463	17.2
93.07039	26.2
95.04932	1.8
95.08607	19.9
97.10176	3.9
98.20802	2.5
98.98459	8.0
105.07019	29.2
107.08591	30.0
109.06553	2.1
109.10154	7.8
117.07024	5.2
119.08572	51.7
121.10123	12.1
123.11711	2.5
125.09631	1.9
129.06960	2.4
130.07745	3.6
131.08571	33.4
133.10121	70.9
135.08083	2.5
135.11691	3.9
138.36655	2.3
139.07524	2.5
143.08517	5.3
145.10117	40.4
147.11671	9.7
149.05946	2.3
149.09578	4.3
151.07507	5.2
157.10075	5.7
158.10872	2.3
159.08069	4.5
159.11678	40.7
161.09605	1.8
161.13252	6.6
163.07550	11.0
165.09135	3.3
173.02084	4.4
173.09645	5.0
173.13243	16.8
175.14789	3.8
177.09097	42.9
179.10582	2.0
183.11678	3.2
185.13152	2.4
186.14127	2.2
187.11157	4.1
187.14848	2.9
189.09070	5.2
191.10648	6.6
201.16364	100.0
203.17972	11.7
211.14824	2.8
219.17369	4.5
229.12196	3.0
229.15860	17.1
247.13327	5.9
247.16928	29.5
247.20593	3.9
251.70490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.18341	0.5
53.03940	2.3
55.01866	2.7
55.05255	1.0
55.05504	12.2
56.07907	0.6
57.03431	4.1
57.07070	3.4
63.51116	0.7
65.03958	1.3
67.05498	40.5
69.03410	1.2
69.07057	8.8
71.04981	4.0
71.08750	1.4
77.03915	0.7
79.05482	30.9
81.03425	2.9
81.07046	100.0
83.04963	2.6
83.08616	4.6
84.81830	0.6
85.06536	2.2
91.05470	13.9
91.91054	0.7
93.07031	26.9
95.04952	7.2
95.08591	22.9
97.06505	2.6
97.10159	1.8
98.98454	1.0
99.08080	3.7
103.05459	0.6
105.07014	15.0
107.04931	3.1
107.08579	22.2
109.06504	34.3
109.10138	8.8
111.08047	2.0
115.05447	0.8
117.07007	6.1
119.08563	21.1
121.06500	3.5
121.09299	1.2
121.10133	18.7
123.08061	6.2
123.11698	11.5
125.09604	1.0
129.07027	1.4
130.07748	1.0
131.07573	0.9
131.08551	14.2
133.10109	20.8
135.08035	4.5
135.11674	8.0
137.09586	4.8
137.13272	1.6
139.07631	1.0
142.07715	0.8
143.08542	2.5
144.09367	1.3
144.22986	0.7
145.10098	18.2
147.08015	1.3
147.11670	9.7
147.59738	0.7
149.09615	3.5
149.13235	9.8
151.07545	1.1
151.11156	2.7
151.14841	0.8
157.10112	2.2
159.08080	1.3
159.11679	15.2
161.09621	1.3
161.13237	5.9
163.07559	2.2
163.11130	3.4
163.14769	3.9
165.09070	0.8
165.12727	2.0
169.10077	0.7
171.11639	1.0
172.12547	1.0
173.09552	0.8
173.13257	10.8
175.14824	3.6
177.09093	8.0
177.12704	2.3
177.16327	0.8
179.10643	0.8
179.14305	1.0
183.11691	1.4
185.13158	0.9
186.14040	0.9
187.11171	1.8
187.14769	5.4
189.09082	2.5
189.16360	1.6
191.10675	1.9
191.14284	2.3
201.12747	1.2
201.16364	23.2
203.17903	4.8
205.15874	0.7
205.19408	1.0
211.11099	1.3
219.17282	1.6
219.21025	1.2
229.12190	2.7
229.15977	3.3
229.19467	13.1
247.13498	3.7
247.16920	10.5
247.20543	67.8
248.20839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01856	0.8
55.05495	1.0
56.28997	0.3
57.01009	0.3
57.03411	0.5
59.04999	0.4
67.05482	1.9
69.03407	0.9
69.07035	0.5
70.87103	1.1
71.04995	0.7
79.05484	3.3
81.03403	0.6
81.07047	4.3
83.04961	0.4
85.06547	0.5
89.99598	0.3
91.05466	9.2
93.07030	3.3
95.04958	1.4
95.08617	2.7
97.06525	0.5
103.05448	1.7
105.07014	8.6
107.04948	3.7
107.08571	2.9
109.02843	0.9
109.06485	0.9
109.10145	0.9
111.08031	0.4
115.05420	3.9
116.06216	2.7
117.07004	5.1
119.04913	1.3
119.08558	4.2
121.06475	0.9
121.10119	1.4
123.04456	0.4
123.08042	0.8
125.81877	0.4
128.06203	7.7
129.06992	20.0
130.07764	2.3
131.04944	2.2
131.08548	17.4
132.05669	1.2
133.06456	3.3
133.10121	3.3
135.04477	1.7
135.08038	0.6
137.05966	1.0
137.09537	0.4
141.06972	7.8
142.07758	4.6
143.04878	0.7
143.08546	8.1
144.05692	7.2
144.09206	0.5
145.06464	5.2
145.10104	7.4
146.07283	2.7
147.04349	1.0
147.08025	1.7
147.11673	1.1
151.07550	0.6
152.06166	1.1
153.07011	2.1
155.06023	0.9
155.08571	1.2
156.05690	2.0
156.09276	0.4
157.06465	8.1
157.10089	4.2
158.07257	2.1
159.04448	0.9
159.08031	24.6
159.11638	2.8
160.05185	0.8
161.05978	3.4
161.09595	6.8
161.13232	1.0
163.07550	0.5
165.06944	0.7
167.07028	0.8
169.06424	1.5
169.07620	1.3
169.10033	0.7
170.07245	6.6
170.10851	0.7
171.04393	0.9
171.08034	7.1
171.11674	1.5
172.05127	2.4
173.05962	3.1
173.09587	2.5
174.06769	2.5
175.07512	4.2
175.11133	1.0
175.14766	0.7
178.06187	0.8
180.09372	0.5
185.05927	1.1
185.09659	1.0
185.13229	8.7
186.06708	0.5
187.07532	14.8
188.08171	0.7
189.05461	3.0
189.09093	8.6
189.12708	1.7
190.06200	0.8
191.07021	1.4
191.10635	1.1
193.08594	0.7
195.11659	1.2
198.06735	1.5
199.07484	2.1
201.05472	1.1
203.06976	4.7
203.10573	1.1
203.14259	4.8
204.07782	9.2
205.08580	1.5
206.09349	0.8
213.09134	0.7
213.12752	3.2
216.07809	2.9
217.08493	0.8
218.09370	1.3
219.10110	1.5
221.11736	2.2
231.10312	5.2
231.13754	24.7
234.08809	0.9
249.11186	100.0
249.14749	3.7
250.11554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05503	9.2
57.07060	2.4
67.05493	6.0
67.64251	0.6
69.07065	4.6
71.04994	1.0
77.03883	0.8
79.05489	5.8
81.03401	0.7
81.07044	10.9
83.08606	4.3
91.05460	9.2
93.07027	11.8
95.04961	1.8
95.08595	15.3
95.09511	0.6
97.10161	3.3
99.04420	0.6
102.99994	0.5
103.05473	1.0
105.07014	18.7
107.04922	0.8
107.08577	15.7
109.02894	1.1
109.06499	1.2
109.10142	10.1
111.04429	0.6
111.08080	0.7
115.05422	1.0
117.07006	5.0
119.05002	0.8
119.06031	0.6
119.08561	23.9
121.06504	2.2
121.10129	11.2
123.08087	1.4
123.11670	1.8
125.05991	1.7
125.09595	0.7
128.06184	1.9
129.06982	4.0
130.07774	1.5
131.08527	6.3
133.06454	1.1
133.10115	27.3
135.08037	1.3
135.11668	3.9
137.05980	1.8
137.09532	0.7
139.07535	1.3
142.07770	1.6
143.08540	8.8
145.06474	1.0
145.10110	15.3
146.10880	1.0
147.08034	2.5
147.11670	20.0
149.13248	3.0
151.07549	1.7
153.09081	5.5
155.08514	1.7
156.09328	1.4
157.06396	0.7
157.10106	4.6
159.08069	0.9
159.11642	5.7
161.06001	0.7
161.09560	3.7
161.13225	12.3
162.13446	0.7
163.14806	0.7
165.09175	1.0
167.10687	5.2
169.10135	0.6
170.10910	1.4
171.07996	1.7
171.11670	3.3
173.09621	6.7
173.13211	1.1
174.14021	1.1
175.07497	3.7
175.11153	2.6
175.14795	4.3
179.10634	2.6
180.09268	0.8
181.12210	1.2
185.13242	16.7
189.09102	1.1
189.12715	3.8
191.10674	2.2
193.12262	1.5
195.11720	3.4
203.10695	1.4
203.14383	8.4
203.17929	100.0
204.18251	2.6
205.19450	3.9
207.13626	1.2
213.12735	5.9
221.18964	5.8
231.13779	44.8
231.17116	3.4
232.14133	1.4
249.14865	8.6
249.18480	19.4
250.18845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1845
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.07453	0.6
53.03929	0.9
55.05507	12.5
57.07061	2.4
67.05504	4.1
69.03392	0.8
69.07056	7.4
70.67851	1.4
70.68253	1.7
71.04974	1.1
71.08589	0.9
76.07971	0.6
79.05485	4.3
79.53119	0.7
79.81828	0.6
81.07052	10.7
83.04994	0.8
83.08618	5.0
91.05469	7.6
93.07031	13.8
95.04960	0.7
95.08598	20.3
97.06501	1.0
97.10165	3.9
105.07021	17.3
107.04949	0.9
107.08586	19.9
109.02901	1.0
109.06497	1.8
109.10143	12.3
111.08042	1.3
112.41138	0.7
117.07033	3.4
119.08570	29.0
120.08804	0.7
121.06477	1.5
121.10126	12.7
123.08054	1.3
123.11668	2.5
125.05952	1.2
125.09620	1.3
128.06230	1.3
129.06993	1.7
130.07758	0.9
131.08556	4.2
133.06476	1.0
133.10120	29.3
135.08063	1.2
135.11633	5.6
137.05916	2.0
137.09627	1.2
139.07526	2.2
142.07777	0.9
143.08516	5.0
144.09364	1.0
145.10107	11.3
146.10912	0.7
147.08026	2.3
147.11674	17.2
148.84505	0.6
149.09593	0.9
149.13229	6.0
151.07472	2.2
153.09097	6.6
155.08510	1.1
156.09346	1.4
157.10120	5.1
159.11691	4.1
161.05977	0.8
161.09578	2.5
161.13255	9.4
163.14735	1.5
165.09106	2.4
167.10681	9.0
170.10892	1.4
171.08046	1.5
171.11696	2.2
173.02783	0.6
173.09644	4.5
174.14067	0.6
175.07527	2.8
175.11162	2.2
175.14804	4.6
179.10655	2.8
181.12222	1.3
183.11598	0.7
185.09512	0.8
185.13248	11.4
189.12741	2.3
191.10654	2.0
193.12238	1.7
195.11664	3.0
203.14299	5.8
203.17931	100.0
204.18275	2.9
205.19499	16.1
206.19795	0.8
207.13725	0.8
213.12680	3.8
221.18976	6.3
231.13782	34.0
231.17169	4.3
232.14143	1.6
249.14821	5.4
249.18489	18.8
266.07043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1845
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.05505	11.0
57.07055	2.4
67.05512	3.5
69.07063	6.5
69.31870	2.0
69.32289	4.5
71.04974	0.6
76.25487	0.5
79.05477	3.6
81.07044	7.5
83.04971	0.6
83.08606	4.6
85.06528	0.7
91.05468	6.7
93.07038	8.7
95.04936	0.8
95.08594	13.8
97.06488	0.7
97.10158	4.2
103.05538	0.6
105.07014	14.5
107.04920	0.8
107.08583	11.6
109.02900	1.1
109.06505	1.1
109.10143	9.9
111.04451	0.8
111.08077	1.4
117.06996	2.3
119.08563	21.6
121.06485	1.7
121.10132	9.5
123.04394	1.0
123.08018	1.2
123.11679	1.6
125.05985	0.7
128.06206	1.5
129.06984	2.2
130.07814	1.1
131.08549	5.3
133.06461	1.0
133.10114	24.1
135.08015	1.0
135.11676	3.8
137.05936	1.3
139.07506	2.0
142.07744	0.8
143.08543	5.6
144.37994	0.5
145.10095	10.3
146.10635	0.6
147.08041	1.0
147.11676	19.1
149.09569	1.0
149.13242	2.9
151.07466	1.3
153.09082	5.6
155.08559	1.2
156.09338	0.8
157.10123	3.1
159.11688	4.1
161.09598	1.7
161.13222	8.2
163.14807	2.0
165.09106	1.7
167.10661	5.8
169.10150	0.6
171.07971	0.9
171.11670	1.4
173.09619	3.1
174.14023	0.9
175.07520	2.2
175.11172	2.0
175.14812	3.1
179.10635	2.6
180.09404	1.1
185.13228	10.1
189.09108	0.8
189.12723	2.0
190.10521	0.6
191.10619	1.3
193.12282	1.8
195.11691	1.6
203.14288	6.4
203.17928	100.0
204.18294	2.4
205.19470	4.9
213.12723	4.3
221.19000	6.3
231.13777	23.7
231.17305	3.5
232.14143	1.1
249.14671	4.1
249.18474	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	251.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10459	0.8
53.03936	0.9
55.01854	1.3
55.05519	1.0
56.96559	13.9
57.03434	4.8
57.07057	1.5
58.99841	2.2
59.04996	1.2
60.04499	0.9
60.95839	2.1
61.02922	16.0
67.05475	1.4
69.03415	4.2
69.07051	1.0
69.37358	6.1
69.37773	2.2
71.04945	1.6
72.08135	1.0
73.02916	4.1
74.97623	0.8
77.00903	4.0
79.05480	2.2
80.05025	0.9
80.93001	0.8
81.03397	3.1
81.07047	4.8
82.01433	4.9
83.01328	1.0
83.04948	1.0
83.08618	1.0
83.97665	0.8
84.96040	1.6
85.02895	11.7
85.06519	1.7
85.42100	0.9
88.99144	0.9
91.02451	2.0
91.05472	2.5
92.01292	1.2
93.07032	3.0
95.01923	1.9
95.08595	2.6
97.02874	9.3
97.06506	1.0
98.97588	4.2
98.98459	83.9
99.04427	1.6
100.02474	48.3
101.00839	1.2
103.02444	1.5
104.01231	1.0
105.07020	3.9
107.08575	3.2
109.02853	1.4
109.03507	0.9
109.10138	1.7
110.97565	0.8
113.02345	2.3
115.02447	1.1
116.03933	0.9
116.98614	4.6
116.99493	5.0
117.01958	1.0
117.06984	1.7
118.03515	38.4
119.01882	6.5
119.03568	1.3
119.08569	4.0
121.01613	2.5
121.10138	1.3
123.04024	1.8
123.08087	1.0
126.98789	2.5
127.01477	1.3
127.03900	3.8
128.02287	1.0
128.98615	2.4
130.01016	0.9
131.01868	1.9
131.08572	2.3
132.00803	1.5
133.03442	6.9
133.10126	1.5
133.49307	0.9
134.03532	1.0
134.99640	2.9
135.08032	1.6
137.02931	2.1
139.04228	1.4
141.01263	2.5
141.03008	1.0
141.05058	1.4
142.96501	1.1
143.01871	1.1
144.99815	27.1
145.03413	1.2
145.10152	4.3
146.03568	1.0
146.99629	3.6
147.01370	1.2
147.08020	1.0
147.11713	1.9
148.02063	1.6
148.03783	1.1
148.04749	8.6
148.54813	1.0
149.01172	1.5
150.00377	1.1
150.01746	4.1
151.04535	4.1
152.04681	1.1
154.34166	0.8
154.98253	2.8
157.02531	6.1
157.10133	1.2
158.99588	1.0
159.01382	1.6
159.11681	6.1
159.55501	2.2
161.01180	2.3
161.02925	3.5
161.05569	2.5
162.99219	1.2
163.00858	8.2
163.02835	1.3
163.04333	1.1
165.00713	3.0
166.03119	1.3
168.01396	18.5
168.53389	1.2
170.06065	1.9
171.11626	1.5
172.99306	29.7
173.02896	1.0
173.09537	1.1
174.99205	6.4
175.00583	1.3
175.04466	1.5
177.00662	3.3
177.02423	9.0
177.99907	3.3
178.98645	1.6
181.56790	0.9
184.01323	1.6
185.13327	1.0
186.02464	2.8
186.99104	2.6
187.00896	6.0
187.02472	1.3
187.04509	1.6
187.14961	1.9
189.00719	1.4
189.02353	0.9
190.98729	2.2
191.00363	32.8
191.02100	2.7
193.00218	2.0
195.03447	1.0
196.00906	100.0
197.00903	1.0
197.13132	1.0
198.02826	1.1
199.01863	1.0
200.04167	2.0
201.00729	1.5
205.00169	3.8
205.01906	9.3
205.15869	2.1
206.02496	1.2
206.98122	1.7
207.01634	1.0
208.99696	2.7
210.02429	3.1
212.02478	1.3
212.05339	1.2
214.01949	60.2
215.02240	1.7
215.14354	1.8
219.02510	10.7
219.07169	1.7
220.02522	1.3
223.01140	2.1
223.02997	2.3
228.03523	55.6
231.13828	1.1
233.01384	1.6
233.03358	1.1
233.15039	6.9
235.03006	1.3
237.03200	3.4
239.00554	1.1
242.03540	1.6
242.05971	1.3
246.04652	11.5
247.04738	1.0
251.02434	2.5
251.05026	5.5
251.16267	3.9
251.20033	1.5
263.00513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01863	3.3
55.05492	2.0
56.96557	23.5
57.03426	8.3
58.99852	2.4
60.58613	0.8
60.95833	1.0
61.02629	1.4
61.02918	20.8
69.03419	11.9
70.99862	1.7
71.04978	2.9
71.63162	1.1
72.08141	4.2
73.02913	10.9
73.06551	1.0
77.00891	4.1
81.03427	5.8
82.01433	7.9
82.03745	0.9
83.04967	1.1
84.96030	1.6
85.02895	29.0
86.03232	1.2
86.53587	0.8
87.04436	2.7
88.99149	1.2
89.00848	1.3
89.18842	0.8
91.02460	1.9
91.03922	2.4
91.05453	1.3
96.08948	1.0
97.02872	23.4
98.01261	1.4
98.03183	1.9
98.97572	20.1
98.98452	8.6
99.04452	2.8
100.02467	49.1
100.85986	0.9
100.99145	2.0
101.00877	1.8
103.02426	1.4
104.01336	0.9
105.00391	1.0
109.02874	2.7
110.03973	1.9
110.97572	2.0
111.02900	1.6
112.02865	1.2
115.02430	1.2
115.03973	1.4
116.03960	1.1
116.98621	11.5
118.03506	28.5
119.00147	2.4
119.01900	9.2
120.02016	1.3
121.01633	4.5
121.03433	1.9
123.04008	1.2
125.04427	1.2
126.00773	0.9
126.98749	4.4
127.03901	8.6
128.98566	5.0
131.00174	2.0
131.01892	3.5
131.03552	0.8
132.00693	1.5
132.03458	1.7
133.01659	2.5
133.03436	12.2
134.03535	1.3
134.99643	6.0
135.03136	2.0
137.02927	1.7
137.04457	1.2
139.01546	1.3
139.02553	1.1
139.04147	2.0
140.04996	1.9
140.55058	1.0
141.01233	2.6
141.03043	5.1
142.96509	1.1
143.00146	1.2
143.01907	2.1
144.98096	1.3
144.99808	30.0
145.01595	2.0
145.03461	3.7
145.04965	5.1
145.10243	1.3
146.05119	1.0
146.99596	6.0
147.01341	1.6
147.03166	2.8
147.05040	3.3
148.03799	2.8
148.04788	12.0
148.54858	2.1
149.01224	5.3
149.02892	2.4
149.04678	1.2
150.00432	1.3
150.01747	4.1
150.03610	3.3
151.04500	5.6
152.04903	1.5
152.53906	0.9
154.98225	2.5
156.03624	2.0
156.04967	2.0
157.02454	5.7
157.04471	1.5
157.52766	1.3
158.03616	3.1
158.99622	2.5
159.03296	1.7
159.05014	3.8
160.54930	1.2
161.01196	3.6
161.02856	4.5
161.05566	24.2
161.13338	1.0
161.55597	2.7
162.03239	0.9
162.99173	2.4
163.00868	6.6
163.02751	3.0
163.04367	2.7
165.00702	3.4
166.03027	0.9
167.02281	2.1
168.01401	20.7
169.05351	1.9
169.55347	3.4
170.04942	6.2
170.06255	21.4
170.56203	2.3
171.04980	1.8
172.99312	32.1
173.02979	2.3
173.99464	1.3
174.03311	1.2
174.99275	1.8
175.00960	1.1
175.03008	1.0
175.04524	4.2
176.04634	1.8
177.00723	4.0
177.02437	8.4
177.04253	3.4
177.05852	4.2
177.99843	3.0
178.54987	1.3
179.02330	1.5
181.00032	1.3
181.56868	4.7
182.03435	1.0
183.01703	2.1
183.05135	1.4
184.03055	1.1
184.05066	1.2
186.02510	2.1
186.99228	1.8
187.00870	4.2
187.02510	1.4
187.04456	1.8
189.00711	1.7
189.04227	1.7
189.05963	1.5
190.03011	1.2
190.98627	3.7
191.00356	33.5
191.02159	3.8
191.03955	1.6
192.00497	1.1
193.00183	1.3
193.03787	1.1
195.03496	2.8
195.06993	2.3
196.00897	100.0
197.01059	2.6
200.04070	2.2
201.00656	1.2
201.02475	1.2
203.03908	1.2
205.00145	1.8
205.01889	10.5
205.03687	3.4
206.04333	1.5
207.01845	1.3
208.99677	5.7
209.03221	5.6
210.02498	3.2
212.04535	1.4
214.01952	55.5
215.02023	1.0
217.05600	1.8
219.02397	6.2
219.07126	9.4
220.07120	1.2
221.03047	1.1
221.04977	2.2
223.01086	1.9
223.02979	2.5
226.02422	2.0
227.00665	2.1
227.04263	2.0
228.03503	60.7
229.03786	1.2
231.07120	1.8
232.99701	1.8
235.02693	1.9
235.04736	1.6
237.02937	3.4
242.05391	2.2
242.07770	1.9
246.04590	9.8
251.00761	1.8
251.04625	5.2
251.08034	4.4
251.16255	1.0
261.07996	1.0
263.00671	1.4
269.05371	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	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.96558	0.7
58.38553	0.3
64.22350	0.3
66.72729	0.3
67.05486	0.7
68.99796	0.5
69.03423	0.5
71.62941	0.4
71.63338	0.4
72.08121	0.4
77.03926	0.4
79.05474	2.1
81.07044	0.9
82.38061	0.4
82.85768	0.3
83.08604	0.5
86.09718	0.4
87.00806	2.7
91.05470	1.9
93.07026	4.3
94.30444	0.3
95.04931	0.7
98.97566	2.5
98.98454	8.3
103.05450	6.4
107.04939	0.9
107.08573	2.1
116.98602	1.9
116.99409	0.5
118.06529	9.8
119.85384	0.3
120.08089	100.0
121.06474	0.5
121.08471	0.6
128.04945	1.1
131.04890	0.7
132.81116	0.4
134.99567	0.6
135.11658	1.4
136.06161	7.4
146.05988	17.3
158.99669	0.5
161.01199	0.7
163.97714	0.6
164.06964	0.4
166.08653	2.1
177.00636	0.6
188.07040	18.1
192.06546	1.3
193.08640	0.4
201.00677	0.7
206.08096	79.4
207.08392	0.9
216.06471	0.5
219.01723	0.7
234.07578	2.6
234.13429	1.1
234.15659	0.6
237.02902	0.6
249.02715	0.9
252.08589	0.9
252.14478	5.1
252.16736	0.4
252.23364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01862	2.4
55.05506	10.5
55.30398	0.7
56.05053	1.1
56.96560	10.8
57.03438	4.8
57.07065	4.7
59.04990	0.8
60.04519	1.7
61.02919	8.4
67.05504	4.3
69.03063	1.3
69.03423	19.1
69.07062	3.9
70.06567	1.8
71.01337	0.9
71.04980	3.4
71.60110	1.0
72.08132	1.6
73.02908	4.1
73.06550	32.9
74.06065	1.1
79.05479	1.9
81.03397	6.6
81.07039	5.0
83.04961	0.8
83.08624	1.0
84.04498	1.5
84.08139	1.7
85.02898	100.0
86.09711	1.9
87.04453	2.3
91.03925	4.3
91.05467	3.0
92.68291	0.8
93.07037	1.8
95.04948	0.7
95.08591	4.4
97.02882	24.1
97.03507	1.4
97.06500	1.8
97.63995	0.7
98.97616	4.4
98.98457	81.3
99.04443	5.1
100.98920	1.1
103.03920	1.4
103.05469	1.0
105.07031	1.7
107.04965	1.2
107.08602	1.7
109.02871	8.5
109.10151	2.4
110.07159	3.0
111.04427	0.9
111.11680	0.8
112.07634	0.9
116.98615	5.8
116.99516	5.1
119.01881	1.6
119.04957	0.9
119.08585	1.5
120.08089	10.3
121.10162	1.9
123.04453	1.8
123.11697	1.6
125.02235	0.8
127.03904	22.1
128.98625	1.8
133.10086	1.2
134.01221	1.0
134.99677	4.1
135.04451	1.0
135.11661	1.4
136.07613	1.2
137.05994	1.4
137.09622	1.0
141.05473	3.6
143.00198	0.8
145.04950	22.6
146.99669	1.1
147.04356	1.7
147.08049	0.7
147.11661	1.4
149.01184	1.1
149.05894	0.9
151.11237	1.1
153.00696	1.4
153.01837	2.0
158.99637	2.0
161.01218	2.0
161.03009	0.9
161.04701	0.8
162.05449	0.9
163.03911	3.3
163.06041	1.8
165.00645	1.1
172.95253	1.0
174.99225	3.4
176.98915	2.2
177.00639	1.2
179.10608	1.9
181.02679	1.1
193.00211	1.3
197.11707	6.6
206.98802	1.2
207.01761	1.4
217.16020	1.2
219.01715	1.3
235.16887	1.1
243.01776	0.7
248.99165	1.9
253.08414	1.5
253.12167	1.3
253.17828	1.8
267.00235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37118	0.5
53.03928	0.6
54.35014	0.5
55.01870	0.6
55.05506	1.7
56.96559	2.1
57.03428	2.2
57.07073	3.2
59.04998	1.4
61.02912	2.2
63.74296	0.6
66.44941	0.6
66.88789	0.5
67.05503	2.4
69.03430	5.9
69.07065	3.0
70.06569	0.8
70.72599	1.9
71.04990	1.5
71.08606	0.7
73.02907	1.2
73.06550	100.0
79.05491	1.3
81.01312	0.5
81.03424	2.9
81.07050	3.0
83.08601	1.2
85.02898	20.0
85.06624	0.6
91.05518	0.5
91.07584	5.5
93.07027	1.2
95.04990	1.3
95.08614	3.3
96.67647	0.6
97.02892	5.6
97.10176	0.8
98.98459	58.0
99.04451	1.7
101.02412	0.6
105.07037	1.5
107.04977	0.8
107.08583	0.7
109.02892	2.1
109.06461	0.8
109.10172	2.1
113.06038	0.6
116.98692	1.1
116.99501	3.3
119.08625	1.4
121.10113	0.9
123.04439	1.3
123.08083	0.7
123.11722	1.0
127.03911	4.1
134.99669	1.2
135.04376	1.0
139.03877	0.8
140.01117	0.9
141.05487	2.5
143.55310	0.6
145.04939	1.8
148.04643	0.6
151.11183	0.7
161.09592	0.7
161.13301	0.6
163.03908	2.6
164.07037	0.6
174.99263	1.6
176.98947	1.5
179.10724	1.3
197.11728	4.3
235.13406	0.7
235.16974	0.7
253.14297	0.8
253.17970	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03931	2.1
55.01867	6.5
55.05505	11.4
56.96563	3.1
57.03443	2.2
57.07070	7.5
57.28567	1.3
65.03948	1.3
65.30412	1.2
67.05495	18.9
69.03427	4.8
69.07060	12.7
69.56470	11.4
71.04984	11.6
76.20506	1.3
79.05483	24.1
81.03420	1.9
81.06565	2.8
81.07046	54.5
82.07358	1.1
83.04974	8.7
83.08611	9.6
85.06538	6.0
91.05466	16.4
93.07036	55.9
95.04964	13.0
95.08598	30.4
97.02854	2.2
97.06517	14.5
97.10166	1.7
98.98457	100.0
99.04432	15.0
99.08084	1.5
100.98929	1.6
101.05999	4.3
103.05490	1.9
105.07018	33.2
107.04961	4.5
107.08581	29.3
109.02852	1.7
109.06503	24.3
109.10140	10.9
111.04463	1.5
111.08082	7.9
113.05987	3.3
115.05452	2.2
116.99516	3.3
117.07024	2.9
119.04962	2.3
119.08575	24.1
121.06491	65.6
121.10123	10.1
123.04437	4.2
123.08064	8.1
123.11725	5.6
125.05989	5.5
125.09622	2.8
127.07538	13.6
129.06993	5.1
131.08545	6.7
133.06488	5.2
133.10115	15.8
133.44058	1.3
134.06783	1.8
135.04440	2.5
135.08043	14.4
135.11685	4.7
137.05991	4.7
137.09622	5.9
139.03897	6.5
139.07523	18.5
141.05467	6.1
141.06947	1.9
142.07747	6.5
143.08527	10.1
145.10110	9.7
147.08067	6.0
147.11668	33.6
149.09584	2.2
149.13237	4.3
149.28157	1.4
151.11203	3.0
155.08592	3.4
157.06404	1.5
157.10106	21.0
159.08083	1.3
159.11691	5.4
161.06050	2.3
161.07986	2.0
161.09622	3.9
161.13272	9.0
162.06296	3.2
163.11163	1.6
165.07013	2.8
165.12758	12.8
166.07747	1.4
167.06973	1.5
171.11679	22.2
173.09657	4.2
173.13277	4.3
174.99252	2.2
175.11156	22.9
175.12555	2.3
175.14883	1.8
176.98940	2.6
177.09113	1.3
177.12781	1.6
179.10666	3.5
181.10176	3.3
184.08975	1.8
189.12711	23.8
189.16350	2.4
192.09833	2.1
193.06491	2.5
193.08484	1.8
193.12222	12.7
194.09029	4.3
197.10104	1.2
197.11667	7.8
199.11143	22.2
199.14719	2.1
207.13757	11.1
217.12219	68.5
217.15659	2.4
217.19557	3.1
221.06004	2.8
225.09012	1.6
229.14281	1.5
235.13274	63.6
235.16956	6.0
235.20601	2.9
253.08597	9.1
253.12070	1.4
253.14462	31.7
253.17899	4.2
253.19650	4.2
253.21735	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
55.01851	1.0
55.05498	3.3
56.96552	1.3
57.03427	1.1
57.07060	2.9
57.81186	0.8
58.73667	0.8
63.13121	0.8
67.05497	14.4
67.56580	0.8
69.03421	100.0
69.07060	3.8
69.87485	2.1
69.87890	4.1
71.04971	1.8
79.05488	7.6
81.03397	1.2
81.07050	16.1
83.04973	1.3
83.08611	1.7
85.06541	2.4
91.04946	1.5
91.05470	12.5
93.07037	10.2
95.04961	1.9
95.08594	10.1
97.06508	6.3
97.10159	1.8
98.21278	1.8
98.98456	34.3
99.08128	1.0
105.07046	7.1
107.08573	8.8
109.06485	4.4
109.10137	7.1
111.08096	1.5
116.99512	2.0
117.07020	2.1
119.08559	4.6
121.06509	2.3
121.10112	6.6
123.08047	4.1
123.11694	3.0
125.05923	2.2
129.07042	0.9
131.08537	3.3
133.10110	18.6
135.08098	0.9
135.11684	1.4
137.09567	2.9
141.05470	1.1
142.07741	1.2
143.08528	1.8
147.11693	3.5
149.09575	2.5
149.13260	2.1
151.11163	6.2
157.10110	1.9
159.11674	1.8
161.13242	1.3
171.11719	1.3
173.13159	0.9
174.99214	0.9
175.11284	0.8
175.14804	1.1
176.98952	1.2
179.10649	1.2
183.11781	1.2
189.16386	3.7
193.12131	1.0
197.11729	2.4
199.14809	3.5
207.17462	2.4
217.15775	4.4
225.14822	7.1
235.16908	34.3
253.14233	8.3
253.18040	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	253.1796
Annotation	Cyperusol D
Peak:m/z	Relative Intensity
55.01863	1.3
55.05508	3.4
56.96556	1.5
57.07064	3.2
57.14468	0.8
61.96736	0.8
65.03936	1.2
67.05498	13.7
69.03423	80.2
69.07065	4.9
70.37845	3.2
71.04976	3.0
79.05492	7.8
81.07048	14.4
83.04967	1.8
83.08603	3.8
85.06543	2.0
91.05478	12.2
93.07039	11.5
95.04953	2.4
95.08606	11.5
97.06531	6.0
97.10167	1.7
98.98457	100.0
100.98875	2.2
105.07010	10.5
106.02459	1.1
107.08590	8.9
109.06499	2.7
109.10140	9.5
111.08070	2.3
116.99511	5.3
117.00278	1.0
117.07021	1.2
119.08567	7.3
119.76482	1.2
121.06475	2.6
121.10119	5.1
123.04401	1.4
123.08046	3.4
123.11691	1.9
125.09599	1.3
131.08577	2.5
133.10118	17.5
135.08008	1.5
135.11691	2.5
137.09590	3.0
140.01044	2.1
141.05411	1.4
143.08533	1.9
145.10167	1.2
147.07994	1.2
147.11681	4.6
149.09641	3.8
149.13179	2.3
151.11142	5.4
157.10088	2.9
159.11667	2.7
161.09628	1.9
161.13268	2.9
165.12720	1.8
172.14191	1.1
173.13234	1.1
174.99205	2.0
175.11200	2.2
175.14844	2.0
176.98993	2.6
179.10616	1.8
189.16365	4.2
197.11694	3.4
197.13304	1.1
199.14816	3.0
205.15880	1.0
206.98837	1.3
207.17444	2.7
211.14810	1.2
217.15875	5.0
217.19513	1.0
222.25316	0.9
225.05380	0.9
235.16902	32.5
250.55692	0.9
253.14305	1.5
253.17570	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	253.1795
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	1.7
55.05514	4.7
57.03435	1.8
57.07079	2.9
58.00463	0.8
65.61662	0.7
67.05503	13.2
69.03425	100.0
69.07059	4.9
71.04990	1.9
71.08618	0.9
71.63611	1.0
79.05483	7.7
79.14036	0.7
81.03416	1.3
81.07058	17.0
83.04983	2.3
83.08614	3.1
85.06541	1.7
91.05480	12.9
93.07042	9.5
95.04961	2.9
95.08605	9.8
97.02900	0.9
97.06538	5.2
97.10152	1.7
98.98461	45.0
99.04512	0.9
99.08141	0.9
105.07027	10.8
107.08598	9.1
109.06549	4.0
109.10138	7.1
111.08074	2.3
116.99506	1.9
117.07043	1.8
119.08587	8.7
121.06516	2.4
121.10119	6.1
123.08079	5.8
123.11702	2.9
125.09641	1.5
129.06964	1.2
131.08563	2.6
133.10129	21.3
133.99809	0.8
135.08044	1.3
135.11655	1.9
137.09634	3.7
139.11147	0.9
141.05458	1.4
143.08601	1.4
145.10143	0.8
147.10686	1.1
147.11699	5.5
149.09615	2.6
149.13258	2.6
151.11176	6.7
155.33536	0.8
157.10121	1.9
159.11671	1.3
161.13316	1.2
165.12703	1.5
167.14311	0.8
173.13123	1.1
174.99384	0.9
175.11223	1.8
175.14851	1.5
179.10687	1.5
189.12706	0.8
189.16362	3.8
193.12238	1.3
197.11690	3.8
199.14847	3.2
206.98853	0.9
207.17477	3.5
217.15865	4.6
235.16914	34.7
236.17242	1.3
253.14272	3.3
253.18114	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	254.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	10.6
57.44402	1.8
60.04494	2.5
61.02913	5.6
67.05481	2.8
70.51836	7.6
71.01333	6.7
75.04478	18.3
75.72963	2.0
81.07057	2.3
85.02885	3.4
87.04458	3.9
89.02401	3.1
91.05482	2.6
92.72279	2.3
96.09509	2.0
97.02856	3.2
97.07601	2.0
98.98461	30.4
103.03954	16.7
116.98620	2.8
131.03401	3.7
134.99660	5.2
140.22395	2.1
144.07956	2.0
147.04428	2.9
155.08530	2.3
159.02870	49.4
161.01175	3.0
187.02505	3.3
198.11916	2.5
213.06261	2.2
219.04987	100.0
221.03247	2.5
252.44972	2.7
254.04471	3.7
254.18578	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	254.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62020	0.6
56.96554	3.1
59.37652	0.7
60.08158	81.7
61.02911	0.8
65.03938	4.6
71.17441	2.1
73.06565	0.8
79.05486	1.1
81.03442	0.9
82.38055	0.8
85.02895	1.9
86.03238	0.9
91.05474	8.1
91.74559	0.7
93.03398	9.2
93.07027	1.6
95.04955	1.2
97.02866	1.7
98.97570	1.7
98.98460	7.9
110.03657	2.6
111.04432	27.5
111.05199	1.5
119.04939	5.4
121.06482	2.1
125.05982	45.4
135.04349	0.9
149.05968	87.5
151.07533	1.1
153.05453	100.0
161.01186	1.0
163.03838	2.1
177.05489	6.6
195.06514	74.9
249.02618	0.9
254.13852	64.3
266.99844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
56.58791	1.2
56.96557	30.8
57.03429	19.7
61.02916	9.5
69.03427	9.2
69.07067	1.8
71.04976	1.2
73.02910	22.8
80.05028	1.5
81.03412	4.8
84.96006	2.0
85.02896	19.7
88.47084	1.2
91.03965	6.2
93.05500	1.3
97.02878	23.3
98.03242	1.2
98.97555	10.2
98.98451	2.1
99.04447	2.0
100.99123	4.7
101.00869	2.5
101.57754	1.1
102.02470	1.5
102.96956	1.3
105.06993	1.4
106.02927	5.9
109.02861	4.8
110.97554	3.1
111.02923	2.2
112.89571	3.7
115.03947	2.9
116.98619	9.6
117.02128	1.6
119.00204	7.5
119.01080	1.8
119.01910	15.7
120.03462	1.2
121.16963	1.4
123.05537	100.0
127.00784	3.0
127.03912	7.2
128.98579	10.0
131.01912	12.1
132.03426	1.5
133.00777	2.8
133.03458	1.6
133.04955	2.4
134.01602	2.2
134.99631	13.3
135.00482	1.3
137.01218	2.6
137.02950	3.6
138.03506	1.6
138.98997	1.3
140.01491	1.4
143.00169	1.9
143.01897	8.0
144.03410	1.9
144.98114	2.2
145.00787	3.3
145.03458	8.4
145.04926	4.4
146.99622	18.1
147.03967	3.0
149.02977	3.2
152.99577	2.0
153.00787	3.9
155.01901	7.2
156.03410	1.4
157.03418	2.6
158.99635	3.6
161.01141	2.3
161.02975	11.6
162.02928	2.4
162.99184	7.8
163.04576	1.8
165.00755	10.0
165.01984	1.9
165.04028	2.3
167.01900	3.4
169.01895	1.6
169.03424	1.8
170.99619	1.3
171.05045	2.0
172.97693	2.1
173.02901	13.6
174.01266	2.2
174.03093	1.9
174.04446	9.2
174.54625	2.5
174.97578	3.0
177.00830	18.4
181.00217	2.3
182.99918	3.0
183.01653	6.5
183.05006	15.6
183.55103	2.5
184.04570	1.6
185.02969	11.6
185.55251	1.5
186.03023	2.8
187.04636	2.5
189.00693	8.0
190.98610	9.6
191.02280	1.4
191.04092	1.4
192.05562	2.1
192.98723	6.6
194.55833	5.0
195.01866	1.3
197.03035	4.8
198.01262	1.8
201.00897	3.8
203.04015	8.8
204.02193	4.7
204.04112	1.5
205.00244	1.5
206.03670	2.5
208.99663	29.6
209.02893	1.8
213.00761	2.4
213.02657	2.0
213.04422	2.0
214.00177	2.9
215.04166	3.5
218.98457	1.5
219.00301	1.9
219.01985	13.9
221.05046	3.6
227.00720	4.8
227.04045	4.7
229.04167	3.9
230.98312	2.0
231.02008	10.1
231.10538	1.5
231.99165	1.3
232.01305	5.3
237.02827	4.5
239.03998	1.3
243.02052	2.6
243.05412	3.3
243.55441	3.8
245.05106	15.3
246.05276	1.9
254.97806	3.1
255.01691	28.2
255.06339	12.1
257.05072	3.1
261.03079	2.4
263.06058	1.5
273.00052	2.8
273.03015	32.9
273.05792	2.1
276.02557	1.5
278.03650	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	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59357	0.2
55.01870	2.5
55.05500	0.4
56.96560	12.5
57.03432	4.9
57.07059	0.6
59.04992	0.4
60.08149	0.3
61.02631	0.3
61.02921	3.9
64.06554	0.2
67.05491	0.7
69.03423	3.6
69.75640	0.2
70.06575	0.3
71.01356	1.0
71.04976	0.5
71.59850	0.3
73.02911	4.9
74.97610	0.5
75.04432	0.2
77.00893	0.3
78.03438	0.5
78.36240	0.2
79.05484	0.2
80.05016	2.0
81.03409	0.8
81.07055	0.2
83.04973	0.3
84.96014	1.1
85.02412	0.3
85.02899	5.3
85.06535	0.4
86.03224	0.2
87.04453	0.9
88.83254	0.2
91.03942	0.6
93.05520	0.2
96.04507	0.9
97.02885	3.4
97.99152	0.2
98.01299	0.2
98.97581	2.5
99.04442	0.6
100.02500	0.2
100.99140	2.8
101.00883	0.6
101.02410	0.3
103.03935	0.4
106.02906	6.2
109.02867	0.5
110.07156	0.6
110.97565	0.9
111.02945	0.2
111.04469	0.4
112.04741	0.2
112.07588	0.2
112.15537	0.2
113.00868	0.2
113.02338	0.3
115.02461	0.3
115.03938	2.0
116.98617	2.2
119.00177	2.4
119.01907	2.3
119.04903	0.2
120.02090	0.2
120.03393	0.2
120.98059	0.2
121.01593	0.3
123.05541	100.0
124.03938	3.1
124.05890	0.6
127.03898	1.7
128.02325	0.3
128.98593	2.4
129.03917	0.2
130.08662	0.2
131.00211	0.2
131.01906	1.3
133.01659	0.2
133.03452	1.0
133.04956	2.7
134.99649	1.2
136.99162	0.2
137.01176	0.3
137.02896	0.5
138.03387	0.3
138.98184	0.3
139.02606	0.2
143.01872	1.1
144.98071	1.3
144.99799	0.4
145.03503	1.1
145.04921	0.7
145.09991	0.2
145.31383	0.2
146.01346	0.3
146.99634	3.7
149.01160	0.4
149.02911	0.4
150.01820	0.4
150.06320	0.2
151.04483	0.3
153.05614	0.5
154.05750	0.4
155.00275	0.3
155.01883	0.9
156.07634	0.2
157.01907	0.3
157.03493	0.9
158.01216	0.2
158.99585	0.8
159.03233	0.4
159.05077	0.6
160.02773	0.4
161.01122	0.5
161.02963	1.3
161.04640	2.2
161.05643	0.2
162.99149	3.0
163.02710	0.4
163.04439	0.2
164.02301	0.3
165.00713	3.4
165.03923	0.2
169.03499	0.2
170.01314	0.2
170.99759	0.4
171.01370	0.3
171.05043	0.4
172.97588	0.7
173.01482	0.3
173.02914	1.5
174.04445	0.9
174.54819	0.2
175.04599	0.4
177.00757	1.2
177.02361	0.4
177.04028	0.4
179.02213	0.3
181.00233	0.4
182.03241	0.5
182.99707	0.5
183.01797	1.8
183.04984	1.1
183.55127	0.3
185.02924	1.1
186.04388	0.5
186.05920	0.3
187.04617	0.5
189.00705	0.5
189.02345	0.4
189.03943	0.3
190.98613	4.1
191.00279	0.4
191.02257	0.3
191.03903	0.4
192.05589	0.3
193.00255	0.3
197.01245	0.3
197.02972	0.7
201.00673	0.2
202.98572	0.2
203.04079	0.7
204.05458	1.2
206.98148	0.3
208.99677	11.2
209.02872	0.4
213.09599	0.2
214.00220	0.8
215.04037	0.4
219.01721	0.6
221.05096	0.7
225.05200	0.4
226.02373	0.3
227.00708	2.1
227.04092	0.5
232.01291	1.8
232.04977	0.4
233.01445	0.7
243.05370	0.4
243.55498	0.4
245.05066	1.4
246.05254	0.2
248.99294	0.2
250.05994	0.3
251.02554	1.0
255.03546	0.5
255.06560	0.9
255.09782	0.6
255.14052	0.4
256.03040	0.8
257.05164	0.4
263.00632	0.3
263.06100	0.3
273.03110	0.4
274.04077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1586
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03925	2.6
55.01854	3.4
55.05264	1.9
55.05503	26.2
57.03429	44.7
57.07049	5.1
60.74064	1.1
65.03922	2.3
67.05495	77.5
69.03420	1.8
69.06716	1.6
69.07059	21.1
70.06585	1.7
71.01328	5.1
71.04980	6.4
71.63400	2.0
79.05483	68.4
81.03420	7.5
81.06572	2.3
81.07043	37.6
83.04972	23.3
83.08600	7.8
85.06525	7.4
91.05470	28.8
93.07031	79.7
95.04963	9.9
95.08591	12.9
96.34209	1.3
97.06522	20.4
97.10156	17.2
98.98461	8.6
99.08067	4.2
105.07034	5.8
107.04902	1.4
107.08578	54.3
109.06516	2.9
109.10139	9.8
111.08035	4.3
117.06982	6.2
119.08546	8.0
121.06454	2.3
121.10126	12.4
125.09607	4.1
130.07759	2.1
133.06526	1.3
133.10101	5.1
135.08017	3.4
135.11671	100.0
136.11987	1.9
137.09567	3.2
145.10107	17.7
149.13138	1.2
153.12703	4.9
163.11189	14.1
172.95241	2.2
173.29889	1.3
181.12204	16.5
190.96049	1.1
197.04265	1.1
199.13261	1.5
205.81300	1.1
255.15846	88.8
256.26303	4.5
258.74518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01861	3.6
55.05253	2.2
55.05505	24.6
56.70629	1.1
57.03430	48.1
57.07063	6.7
65.03918	2.4
67.05497	78.3
69.03410	2.3
69.06710	1.9
69.07063	27.0
69.90142	3.2
69.90552	3.7
71.01344	4.5
71.04987	7.2
71.08623	2.4
79.05483	71.3
81.03407	9.4
81.07045	40.8
83.04973	24.0
83.08182	1.3
83.08607	7.4
85.06524	7.1
91.04948	2.4
91.05476	28.6
93.07034	78.2
93.63129	1.4
95.04962	10.1
95.08591	14.4
97.06524	22.5
97.10160	19.1
98.20770	1.6
98.98441	11.0
99.04388	2.0
99.08078	5.7
105.07021	7.9
107.04911	3.6
107.08581	51.4
109.06485	3.8
109.10175	6.7
111.08066	4.3
117.07004	11.0
119.08569	12.6
121.06493	3.6
121.10121	14.9
125.06044	1.2
125.09603	3.6
126.30415	1.3
129.06987	2.3
131.08514	3.3
133.10098	8.0
135.08040	2.4
135.11679	100.0
135.77147	1.2
136.12038	1.3
137.09625	3.7
139.11186	1.8
143.08557	7.9
145.10103	18.3
153.12741	2.2
157.10081	4.0
159.08134	1.7
163.11145	14.8
169.10106	2.4
173.09619	1.9
175.11012	1.2
181.10359	2.0
181.12204	19.3
183.11687	2.7
185.09550	1.4
195.11635	4.3
199.11163	1.9
199.13181	1.6
199.66046	1.3
211.14810	1.3
219.21001	2.2
237.16318	3.6
255.15604	77.1
256.26334	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94426	1.6
53.03928	3.4
53.96941	1.3
55.01848	3.9
55.05255	2.2
55.05501	25.8
57.03428	47.4
57.07062	7.6
61.68144	1.6
65.03909	2.1
67.05495	78.4
67.67993	1.7
69.07053	25.9
69.40834	11.4
69.41244	2.6
71.01327	3.5
71.04976	8.9
71.08616	1.8
74.68016	1.5
77.87933	1.5
79.05478	72.2
81.03409	8.2
81.07043	42.8
83.04964	22.4
83.08603	7.9
85.06522	5.3
85.10161	1.4
91.05464	31.8
93.07027	77.2
95.04963	10.6
95.08582	17.9
97.06531	18.5
97.10161	13.3
98.98444	15.4
99.04379	1.6
99.08071	4.1
105.07012	11.1
107.08576	55.9
109.06487	4.4
109.10129	11.3
111.08062	3.4
111.11715	2.5
117.06976	8.9
117.66062	1.5
119.08562	14.1
121.06458	4.0
121.10139	15.5
123.08002	1.6
123.11674	1.5
125.09622	7.6
128.06201	5.1
129.07001	7.6
131.08516	6.7
133.06465	2.0
133.10136	9.9
135.08002	4.9
135.11665	100.0
137.09590	5.1
140.41002	1.4
141.06995	2.4
142.07758	3.5
143.07582	1.7
143.08563	16.6
145.10098	22.1
145.52480	1.6
147.07985	1.8
149.09523	1.7
153.06908	2.0
153.12738	4.1
155.08534	5.9
156.09319	2.2
157.06499	1.9
157.10107	11.1
159.08043	2.4
159.11702	3.7
161.09602	1.8
161.13158	2.2
163.11125	12.8
165.07013	2.6
167.08516	2.2
169.10109	5.8
171.08044	2.0
171.11638	8.5
173.09554	4.3
180.09421	1.7
181.10141	5.2
181.12186	20.6
183.11694	9.9
185.09639	3.7
185.13257	4.3
187.11159	4.4
195.11629	5.9
195.13629	1.8
197.13214	2.3
199.11232	2.9
199.13092	1.6
209.13223	3.0
211.14749	3.3
213.12708	4.1
219.20932	2.3
227.17894	3.2
237.16370	12.0
237.18419	2.4
237.22003	3.0
240.67183	1.4
255.06544	2.1
255.15839	65.2
255.17708	30.4
255.21223	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03917	3.9
55.01838	4.5
55.05503	28.4
56.83899	1.3
57.03429	54.4
57.07050	5.1
61.50367	1.1
65.03919	1.8
67.05496	75.9
69.03401	1.8
69.06716	1.8
69.07059	23.7
69.36450	5.7
69.36874	7.3
71.01314	4.6
71.04988	6.2
79.05482	73.2
81.03410	9.4
81.07045	39.5
83.04972	26.0
83.08612	8.4
85.06538	6.5
90.19368	1.3
91.04892	1.6
91.05463	31.7
93.07029	83.1
95.04966	11.3
95.08594	13.1
97.05916	1.4
97.06513	23.6
97.10149	16.9
98.98474	6.7
99.04410	1.8
99.08046	3.9
105.06989	6.0
107.04913	2.6
107.08582	52.6
109.06454	3.1
109.10132	9.7
111.08049	3.9
111.11703	2.4
117.07018	9.1
119.08578	12.2
121.06449	4.7
121.09437	1.3
121.10125	15.2
125.09612	3.0
131.08536	1.3
133.10078	5.9
135.08008	3.4
135.11673	100.0
136.13986	1.3
137.09566	3.6
143.08510	2.5
145.10130	19.5
149.57481	1.2
153.12659	2.7
157.10049	1.8
159.11549	1.4
163.11162	17.2
165.12726	1.5
167.08446	1.4
181.12213	17.3
195.11726	1.9
237.16354	1.8
255.15788	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Russulanorol
Peak:m/z	Relative Intensity
52.68645	1.1
53.03923	3.4
55.01852	3.0
55.05251	2.2
55.05505	24.6
56.96548	3.5
57.03432	41.7
57.07074	6.5
65.03916	2.1
65.06664	1.2
67.05498	60.5
69.03409	3.5
69.06718	1.6
69.07062	27.8
69.60747	10.1
71.01337	5.6
71.04976	9.1
71.08602	1.4
72.77796	1.2
73.02898	1.3
79.05484	56.6
80.90451	1.7
81.03404	8.3
81.06582	1.6
81.07050	31.7
83.04970	15.4
83.08595	6.7
85.02888	1.8
85.06544	7.1
91.04957	1.8
91.05472	23.0
93.07031	63.5
95.04972	8.8
95.08128	1.2
95.08599	14.2
97.02874	1.3
97.06523	21.4
97.10159	18.6
98.97569	6.0
98.98450	7.9
99.04434	2.2
99.08046	2.8
102.69338	1.3
105.07027	7.5
107.04936	3.5
107.08584	46.4
109.06516	2.8
109.10151	10.2
111.08040	4.1
111.11685	1.9
116.98601	3.1
117.07005	6.1
119.08569	10.1
121.06456	3.0
121.10123	12.3
123.04391	1.4
123.08059	1.9
123.11698	2.2
125.09593	4.4
131.08521	2.1
133.10112	7.0
134.99672	2.2
135.08078	2.7
135.11676	100.0
137.09549	2.0
139.03889	2.4
139.11122	1.7
143.08525	1.4
145.10123	18.2
147.11653	3.0
149.13219	2.2
151.07498	1.6
153.12695	3.1
159.11707	2.4
161.13220	1.7
163.11192	13.0
165.06927	1.9
171.11674	2.4
177.00641	3.2
181.12209	19.3
195.11708	1.7
199.13234	1.6
205.89035	1.3
219.21065	2.4
231.90704	1.3
235.07179	2.6
237.18431	1.5
255.06581	2.8
255.10049	2.3
255.15852	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	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03917	5.1
54.99033	2.0
55.01836	5.3
55.05507	34.3
56.96528	4.8
57.03431	49.6
57.03690	2.0
57.07064	11.1
62.59660	1.5
65.03909	2.7
67.05498	83.6
69.03400	2.8
69.06729	2.1
69.07062	32.5
69.96978	7.4
71.01324	4.9
71.04993	8.4
71.08590	4.3
76.79961	1.5
79.05486	69.5
81.03416	9.9
81.07050	47.7
83.04555	1.8
83.04975	24.4
83.08636	9.7
85.02890	2.1
85.06514	8.5
91.05474	27.7
93.07036	79.2
95.04969	12.1
95.08594	17.4
97.05920	1.7
97.06516	27.2
97.10157	16.3
98.15595	1.8
98.21313	3.3
98.98454	21.8
99.08039	4.6
100.98827	2.0
105.07024	9.5
107.04903	2.3
107.08586	56.2
109.06466	4.7
109.10143	13.9
111.08052	4.2
111.11685	2.4
113.05972	1.8
115.05418	2.7
117.07012	7.8
119.08551	12.8
121.06430	4.9
121.10133	18.6
123.11651	2.3
125.09609	4.0
130.07642	1.8
131.08519	3.1
133.10071	7.5
135.08035	3.3
135.11684	100.0
137.09543	4.2
139.03836	3.3
143.08511	2.7
145.10104	16.6
147.11624	2.3
149.13203	4.2
153.12677	2.9
159.11621	2.5
163.11148	14.8
163.14856	2.0
165.06940	2.7
169.10101	2.1
171.11597	2.0
173.13356	2.0
177.00574	1.9
177.16234	2.9
181.12207	19.7
185.09453	1.9
197.13193	4.5
204.25130	1.7
211.14748	2.4
212.15472	1.8
213.16266	2.0
219.20894	4.6
231.56033	2.4
237.18417	4.7
237.22021	3.0
250.97818	1.6
255.15778	79.6
255.23112	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	255.1741
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.01857	1.4
55.05502	7.4
56.81786	0.9
56.96555	2.8
57.03422	1.6
57.07059	4.9
57.23274	0.9
61.46069	0.9
67.05496	7.5
69.03412	2.3
69.07063	11.3
71.04980	3.1
71.08611	2.5
71.61237	1.4
77.99080	1.2
79.05482	7.5
81.07047	10.1
83.04969	2.6
83.08635	5.4
85.06506	1.7
85.10183	1.5
89.05928	1.2
91.05499	6.7
93.07039	16.5
95.04932	2.9
95.08595	7.5
97.06526	9.5
97.10143	3.6
98.98457	14.1
105.07024	11.1
107.04994	1.2
107.08591	9.8
109.06490	9.1
109.10163	3.9
111.08059	2.9
113.09576	1.3
114.55090	1.2
115.05444	1.1
116.98557	1.6
117.06985	3.0
119.08559	12.2
121.10141	6.7
123.08053	2.2
123.11702	2.2
127.51099	1.0
128.06204	2.2
129.06952	2.8
131.08566	4.1
133.06456	3.9
133.10135	6.7
135.08035	14.4
135.11682	4.5
137.09543	1.2
139.03909	1.3
141.06992	4.2
142.07759	2.6
143.08546	12.4
145.10086	4.4
147.08142	1.6
149.09590	2.3
149.13243	1.6
153.06969	1.4
154.07748	2.1
155.08511	6.4
156.09348	7.1
157.10118	13.4
159.11671	4.0
161.09633	2.1
163.11122	2.1
165.06952	2.6
167.07274	1.3
167.08548	5.8
168.09288	1.5
169.10110	17.2
170.10880	3.9
171.11674	12.0
173.13231	2.3
179.08644	1.4
180.09291	2.7
181.08670	1.4
181.10069	5.2
182.10912	14.9
183.11710	5.0
185.13275	7.8
193.10083	2.4
194.10881	2.4
195.11728	8.3
195.13309	1.4
196.12477	6.5
197.13237	51.6
198.13976	2.8
199.11115	8.2
207.11740	7.4
208.12477	1.8
209.13258	3.2
211.14792	27.3
212.15576	7.9
213.12833	2.7
213.16374	26.8
215.66057	1.2
219.21129	1.1
222.13994	4.5
231.49287	1.0
237.14615	1.2
237.16443	13.2
237.18512	2.4
237.22208	1.5
240.15114	1.4
244.83104	1.1
255.06480	4.1
255.17413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.3
55.05503	2.5
56.96327	1.9
56.96563	26.6
57.03431	28.1
57.07070	2.5
57.69656	1.5
58.83051	1.6
58.99850	2.1
59.04988	7.5
61.02917	22.2
69.03426	10.4
69.96834	5.7
69.97250	2.2
71.01343	5.1
71.04977	6.8
73.02909	13.8
75.04446	2.5
77.00896	3.0
81.03385	1.9
83.01318	3.3
83.04986	2.3
83.10064	1.4
85.02892	30.3
85.03339	1.1
87.04462	12.1
88.07628	1.7
89.02387	6.1
91.03975	1.9
95.01316	2.7
97.02363	1.7
97.02861	8.6
98.21427	2.0
98.97556	7.4
98.98499	2.1
99.04434	3.7
100.02473	5.6
101.00849	2.9
101.02368	22.6
103.03905	3.3
106.02985	1.7
109.02888	3.4
112.07563	1.6
113.02364	7.5
115.02433	17.1
115.03919	26.4
116.98602	10.3
117.03992	5.2
118.01018	1.4
118.03509	5.7
119.01893	19.3
119.03386	1.8
123.05521	6.7
124.03934	24.5
124.05870	8.0
127.03912	8.6
127.04861	1.4
128.02324	1.7
128.98636	3.0
129.01833	27.7
130.08600	2.7
131.01852	7.5
132.00716	1.7
133.03459	19.3
133.04964	9.6
134.99673	6.0
135.04993	5.1
137.02922	5.5
142.03467	7.0
142.96440	2.6
143.01895	4.3
143.03366	17.2
145.03439	11.2
145.04962	6.0
146.00401	1.5
146.99652	5.8
147.02945	4.2
148.02068	2.7
150.01805	5.6
153.05760	1.8
155.08087	2.3
157.01312	19.3
157.03465	1.9
158.06633	2.2
158.99686	2.3
160.04675	5.0
160.97569	2.4
161.01154	3.0
161.02962	10.7
161.04442	38.7
161.06514	1.8
162.06169	2.7
163.04515	2.4
163.06012	2.3
165.00632	3.3
169.03387	3.6
171.01402	4.9
171.02910	8.7
175.02374	3.6
175.04520	2.1
177.00829	3.6
177.02455	3.0
177.10942	1.5
178.04906	2.5
182.03108	2.1
182.09584	3.3
183.55714	2.8
184.01274	3.0
184.04597	5.1
186.04466	2.1
187.00896	2.5
187.04491	6.8
188.97058	3.7
189.02409	6.9
189.03917	100.0
190.98619	5.4
191.02083	2.4
193.00209	3.1
200.04266	2.6
202.98732	2.2
203.05498	29.6
204.05402	2.8
205.00180	3.1
205.01764	7.8
207.03497	6.0
208.99632	4.3
210.12190	1.8
211.01118	1.8
212.04039	8.0
215.00391	3.8
215.03748	1.6
219.01662	2.8
220.99565	1.8
221.06627	13.8
224.07686	4.4
228.05434	1.8
230.05077	3.2
230.98187	2.3
233.01395	19.0
233.03346	2.4
235.02911	4.7
251.02475	47.1
252.02640	2.0
256.03003	40.9
256.12863	3.2
256.26321	8.6
274.04056	32.7
279.04605	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	256.9641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98650	0.5
56.96560	23.6
64.26871	0.2
69.99502	1.7
71.83754	0.3
71.95260	2.9
73.91577	0.3
74.97595	0.3
89.99197	0.3
98.97573	87.2
105.86450	0.3
116.98608	100.0
117.73485	0.3
119.01905	0.8
130.61697	0.3
130.93294	2.1
131.01854	0.3
134.99643	81.3
135.44653	0.3
137.00052	0.3
137.02974	0.3
140.00166	3.3
148.94337	1.1
153.00697	14.4
154.93315	0.5
158.01257	4.1
169.91560	0.3
172.94308	3.3
173.20346	0.3
174.06169	0.5
176.02298	0.8
177.00932	0.6
190.95387	8.4
197.95145	0.4
208.96440	4.9
213.97049	0.5
214.95341	1.0
230.98466	0.5
231.44324	0.3
231.98135	0.3
232.96439	7.7
234.99648	0.8
250.97504	7.1
252.10857	0.8
255.98029	0.6
256.26358	0.5
256.96426	10.7
272.94370	0.3
273.99030	0.4
274.97479	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01860	2.6
55.05494	6.5
56.96563	54.0
57.03424	4.9
57.07061	5.1
58.99869	1.7
61.02909	7.3
61.79011	1.9
67.05499	3.6
69.03420	11.8
69.07050	3.7
70.06584	11.6
71.04984	3.1
71.08620	2.7
71.60086	3.5
71.85770	2.0
72.08147	2.9
72.93785	2.0
73.02910	5.2
73.06535	5.0
74.97591	7.6
79.05460	3.3
80.05024	3.6
81.03403	4.8
81.07053	5.2
82.06558	9.9
83.08591	3.2
84.04496	3.9
84.08127	4.4
84.96044	2.8
85.02895	16.0
86.09681	3.0
91.05473	4.5
93.07040	3.2
95.04978	2.6
95.08579	3.7
97.02904	13.2
98.06068	3.0
98.97573	61.7
99.04421	3.4
108.04476	48.1
109.10196	2.2
110.07152	3.2
111.04427	2.0
113.02396	2.6
115.03960	2.2
116.97801	4.4
116.98618	82.0
117.01776	2.4
119.01920	11.1
119.04942	2.2
120.02004	2.7
123.08035	2.2
124.01932	2.1
124.20979	2.0
125.07106	27.9
126.07857	3.5
127.03912	4.9
128.98628	5.4
130.06216	2.0
130.26375	1.9
131.01866	4.0
132.98065	4.8
133.88559	2.7
134.01169	3.7
134.05978	11.3
134.99655	91.6
135.04419	3.1
136.04575	2.9
137.03001	3.3
137.05936	5.9
140.00197	2.4
143.01866	2.7
145.03481	3.4
145.04930	2.3
146.03587	2.2
146.99649	6.9
147.03256	2.8
147.04349	4.9
149.02328	7.4
149.06563	2.5
150.99124	16.0
152.07062	15.2
153.00671	22.0
155.04649	3.6
155.08536	4.5
158.01219	7.1
158.99704	6.0
161.01202	4.3
161.02922	4.9
161.04659	3.1
162.03212	2.5
163.03903	4.8
164.07164	2.9
165.00737	2.9
167.08542	3.4
169.00183	9.6
169.10042	3.0
170.03586	2.6
170.05168	5.0
173.02893	3.6
173.06537	2.7
174.00708	4.0
174.99120	9.9
176.02306	2.7
177.00732	5.3
177.04149	2.2
182.10809	5.6
188.04713	3.2
189.00774	3.3
189.02470	4.6
190.95409	5.3
193.00203	43.0
193.01872	4.6
197.06409	2.3
197.13216	12.3
203.03790	2.3
208.96454	4.1
211.01248	13.7
213.06024	3.0
216.01805	3.8
217.05482	3.0
221.04997	5.4
232.96465	3.4
234.02608	3.5
237.02773	2.7
240.08704	26.4
248.06885	3.6
250.97458	4.0
252.02789	3.2
256.26404	12.1
256.96387	8.1
257.04498	2.8
257.08658	4.3
257.11313	100.0
257.14935	11.2
257.26669	3.2
274.97501	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	257.0807
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
55.01872	0.3
56.63250	0.3
63.61986	0.3
67.01865	2.5
67.05495	0.8
68.99770	1.6
69.00121	0.3
69.03415	1.1
69.07047	0.3
69.78568	1.8
79.05484	2.6
81.03408	0.3
81.07046	0.4
85.06480	0.4
91.05473	2.6
95.04968	0.7
95.08598	0.7
95.70033	0.3
96.61311	0.3
97.02879	0.9
103.05457	19.2
105.03372	0.7
105.07016	0.9
107.04935	2.7
109.06534	0.3
111.00764	0.7
117.06999	0.6
119.08543	0.4
123.04451	1.6
129.06975	0.5
131.04915	39.0
132.02936	0.3
132.05244	0.5
141.06969	0.5
143.08606	0.6
145.06468	0.3
145.10123	0.5
151.03891	2.0
153.01811	82.2
155.08536	0.5
157.10107	0.6
167.08473	0.3
169.10179	0.6
171.02876	4.6
173.05917	2.5
179.03352	1.4
183.78305	0.3
191.06998	0.7
197.13235	1.1
199.14738	0.6
201.12959	0.3
211.07387	0.4
215.07019	1.3
239.06958	0.6
239.18059	0.3
257.08060	100.0
257.18903	1.1
257.26691	0.4
258.08401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31565	0.5
55.01855	1.6
57.03436	6.5
64.63866	0.5
70.83714	1.2
70.84062	0.5
74.63105	0.6
75.04478	3.1
79.05485	2.6
82.46587	0.5
91.05466	1.3
95.04987	0.7
97.02888	0.5
103.05455	1.9
105.07023	28.4
107.04974	2.3
109.06495	1.1
115.05478	0.8
116.71184	0.4
117.07003	0.8
122.03635	2.9
124.05170	0.5
133.06482	49.2
134.06860	0.6
137.05966	100.0
138.06581	0.7
145.06512	0.6
147.07959	0.6
161.09561	0.6
163.07510	4.4
165.09111	29.0
166.83488	0.5
175.07549	2.9
177.09041	0.8
181.08586	2.4
183.10155	7.1
197.13301	0.8
203.10649	2.1
209.11685	0.7
220.77180	0.5
221.11745	2.7
229.04984	0.8
239.12708	1.3
255.02974	0.5
257.04419	0.9
257.11450	0.5
257.13855	1.4
276.38840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01851	1.0
55.05497	3.4
65.03919	0.9
67.05489	6.9
69.03409	1.1
69.07050	4.2
69.68610	5.2
71.04992	3.7
79.05479	5.4
81.07037	4.9
83.04965	1.4
83.08603	2.0
85.06519	3.1
87.86954	0.6
91.05474	7.7
93.07030	13.7
94.00014	0.6
95.04965	4.3
95.08594	10.0
95.11160	0.6
96.23682	0.8
97.06486	1.2
97.10133	0.8
98.21381	1.1
99.08099	0.6
103.05433	1.1
105.07010	18.4
107.08577	13.9
109.06505	6.4
109.10126	8.0
111.08051	2.3
115.05383	1.3
117.06986	5.8
119.07769	1.4
119.08557	16.5
121.10123	58.6
123.08064	3.9
123.11689	2.5
128.06201	2.7
129.07025	4.3
130.07726	0.9
131.08548	11.5
133.07614	0.7
133.10107	10.7
135.08025	17.8
135.11668	4.2
137.09607	5.0
141.06941	1.3
142.07739	5.3
143.08537	15.4
144.09305	2.7
145.10091	16.7
147.07944	1.0
147.11710	4.0
149.09610	4.1
151.11148	1.1
153.06912	1.1
155.08540	4.3
156.09340	3.9
157.10097	20.4
158.10910	3.3
159.08012	2.1
159.11670	20.0
161.09599	2.0
161.13235	1.5
163.11145	4.3
168.09357	2.1
169.10112	9.5
170.10909	0.8
171.11678	10.9
172.12352	1.4
173.09573	2.2
173.13240	20.3
174.13979	2.6
175.11147	2.4
175.14815	1.8
177.12727	1.3
181.10060	1.3
182.10838	1.5
183.11676	8.9
184.12479	2.7
185.13277	2.9
187.11209	6.0
187.14746	3.9
189.12743	2.9
195.11671	1.5
196.12459	1.3
197.13219	9.4
198.13808	1.0
199.14799	27.7
201.12720	6.4
209.13283	1.4
210.13887	1.1
211.14767	2.4
213.16374	8.8
214.17104	3.2
215.14310	2.5
215.17892	7.4
224.15572	1.2
239.17905	13.1
257.18967	100.0
257.26584	1.9
258.19321	2.2
258.28000	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	257.1896
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.88613	0.4
53.03915	0.6
54.32529	0.5
55.01872	1.1
55.05500	3.4
57.07054	1.6
59.04990	1.0
67.05499	5.6
69.03415	0.6
69.06781	0.5
69.07067	5.8
69.87975	1.3
69.88390	1.8
70.06561	0.5
71.04986	4.4
72.08123	1.2
76.35704	0.6
79.05489	5.3
81.07050	6.5
83.04962	2.1
83.08595	1.6
85.06523	4.1
90.09210	0.6
91.05457	7.3
93.07033	13.6
95.04950	5.2
95.08596	9.6
95.60936	0.5
97.06506	1.9
99.08096	1.3
103.05467	0.5
105.07019	18.5
107.08582	12.5
109.06500	5.9
109.10130	8.4
111.08096	2.8
113.09615	0.7
115.05424	1.7
115.58532	0.5
117.06994	4.5
119.08562	18.5
121.06499	0.7
121.10126	53.5
122.10429	0.9
123.08058	5.0
123.11702	2.0
125.09587	0.8
128.06212	2.0
129.06975	4.6
129.11084	0.6
130.07735	1.6
131.08543	13.5
133.07608	0.8
133.10103	9.8
135.08035	16.4
135.11694	2.8
137.09573	6.0
141.06958	1.4
142.07756	4.4
143.08549	13.6
144.09319	2.0
145.10101	19.0
147.08102	0.7
147.11665	3.6
149.09605	3.6
151.11159	2.0
153.07014	0.7
154.07709	1.3
155.08543	4.1
156.09331	3.0
157.10109	19.1
158.10919	3.6
159.08005	1.2
159.11678	18.8
160.12001	0.8
161.09564	1.7
161.13249	1.7
163.11171	3.5
167.08533	1.6
168.09283	1.9
169.10109	8.4
170.10820	1.6
171.11662	10.5
172.12265	0.6
173.09583	2.0
173.13246	25.4
174.13921	1.9
175.11238	1.4
175.14806	3.0
177.12698	1.4
181.10027	0.7
182.10921	2.0
183.11676	10.0
184.12396	2.2
185.13202	3.1
186.10458	0.7
187.11136	5.7
187.14803	4.7
189.12651	2.8
195.11595	0.9
196.12405	1.6
197.13216	9.4
199.14793	29.9
200.15147	1.2
201.12743	9.3
209.13214	0.6
210.14058	0.8
211.14740	2.1
213.16333	11.2
214.13600	0.7
214.17107	2.3
215.14355	3.1
215.17918	8.5
223.07942	0.7
224.15517	2.0
229.15891	0.7
239.17917	14.5
240.18126	0.6
257.18973	100.0
257.26434	3.6
258.19336	3.9
258.27930	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03930	0.9
55.01843	1.5
55.05509	6.9
55.18827	0.4
56.59967	0.4
57.07052	1.7
61.54087	0.4
65.03893	0.5
66.98491	0.4
67.05497	10.0
69.03422	0.4
69.07064	5.1
79.05055	0.6
79.05488	9.0
81.03391	0.6
81.07049	9.3
83.04966	2.0
83.08617	2.4
90.32360	0.4
91.05472	14.0
93.07031	8.9
95.04952	2.4
95.08596	7.9
97.06499	1.9
97.10143	1.3
98.21489	1.1
103.05432	1.0
105.07020	14.1
107.04953	3.7
107.08580	7.7
109.06496	3.1
109.10155	3.0
111.08064	0.5
115.05431	1.9
116.06232	0.7
117.07010	10.3
119.08572	9.6
120.20016	0.4
121.06511	3.3
121.10110	3.7
123.08044	1.7
128.06180	2.5
129.06999	6.2
130.07750	1.6
131.04935	1.2
131.08553	25.4
132.05705	0.6
133.06490	8.9
133.10118	7.3
135.08034	1.5
135.11658	1.8
141.07002	2.7
142.07726	1.9
143.08549	6.0
144.05692	0.9
144.09299	0.7
145.06474	9.2
145.10107	22.4
146.07143	0.8
147.08034	8.6
147.11682	4.4
149.09615	1.5
149.13173	0.7
153.06950	0.7
155.08537	5.4
156.09303	0.9
157.10135	6.6
158.07225	1.6
159.08040	8.5
159.11676	8.7
161.09595	9.1
161.13266	1.5
163.11128	2.2
167.08572	0.9
168.09300	0.8
169.10092	5.0
171.11671	4.8
172.95210	0.6
173.09621	11.2
173.13248	3.6
175.11150	6.4
175.14827	1.2
176.11696	0.4
177.12775	0.9
181.10146	0.5
182.10866	0.9
183.11696	5.3
184.81053	0.5
185.09695	0.5
185.13242	2.1
187.11188	7.1
187.14764	1.3
189.12741	2.1
195.11650	0.5
197.13266	4.8
199.14766	1.4
201.12709	5.8
201.16371	1.0
210.14081	0.4
211.14798	1.3
213.16344	1.2
215.14278	3.4
215.17923	1.1
229.15805	0.7
229.19437	3.5
239.17912	11.1
257.18976	100.0
258.19327	2.5
258.27786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03927	0.7
55.01865	0.9
55.05296	0.6
55.05515	6.7
57.03424	1.0
65.03944	1.0
67.05157	1.1
67.05499	16.6
69.07046	4.0
69.37514	0.7
69.37827	5.9
71.04952	0.9
77.03898	0.6
79.05486	9.7
81.07046	11.9
83.04965	4.3
83.08615	2.7
85.06549	0.6
91.05473	14.7
93.07045	9.4
95.04959	2.6
95.08598	13.3
97.06546	3.0
97.10136	1.4
105.06364	1.1
105.07021	12.6
107.08581	8.6
109.06511	1.8
109.10133	5.3
111.08116	0.7
115.05425	2.6
116.06187	1.3
117.07008	20.5
119.08572	12.1
119.09261	0.4
121.10117	5.5
123.08066	1.9
125.09639	2.6
128.06187	2.4
129.06985	10.0
130.07770	4.2
131.08562	26.4
132.08894	0.8
133.06494	0.7
133.10115	13.5
135.08057	2.3
135.11679	2.0
137.09575	2.5
141.06950	5.8
142.07742	2.2
143.08559	12.5
144.09358	0.9
145.06451	1.9
145.10107	77.7
146.10487	1.3
147.08043	2.3
147.11652	5.2
149.09584	2.8
151.11142	1.4
154.07803	1.1
155.08528	5.9
156.09329	1.6
157.10118	14.1
159.08078	1.3
159.11681	27.6
160.12076	0.7
161.09589	4.1
161.13242	2.2
163.11142	2.7
165.12852	0.9
167.08559	1.6
168.09377	1.4
169.10130	12.4
171.11682	18.9
173.09612	9.0
173.13251	10.6
175.11182	6.5
175.14822	4.2
181.10045	0.9
182.10838	1.7
183.11684	13.5
184.12431	0.8
185.13240	4.6
187.11186	4.5
187.14764	1.4
189.12735	2.3
196.12575	0.7
197.13223	14.6
198.13893	0.7
199.14778	1.5
201.12682	3.9
201.16333	0.7
210.14026	1.1
211.14743	4.9
213.16374	7.5
215.14388	2.7
215.17957	4.6
229.15840	1.5
229.19463	2.3
239.17928	38.0
240.18256	1.0
257.18979	100.0
258.19370	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	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03931	0.8
55.01864	1.7
55.05505	6.2
57.03416	1.7
57.07057	1.2
64.96970	0.8
65.03904	0.8
67.05495	13.2
69.07056	5.5
69.31307	9.1
71.04977	1.8
75.69901	0.7
79.05476	6.0
81.07046	11.4
83.04962	1.4
83.08592	3.5
85.06524	2.1
86.77285	0.8
91.05463	13.1
93.07032	6.5
94.91248	0.8
95.04942	2.3
95.08588	9.2
97.06509	2.2
97.10084	1.3
99.08055	1.2
105.07019	13.2
107.08595	5.5
109.06489	3.2
109.10107	4.0
111.08056	1.1
113.27338	0.8
115.05440	2.5
116.06190	1.3
117.06206	1.4
117.07001	20.1
119.08571	11.4
121.06475	1.0
121.10120	5.9
123.08044	1.7
123.11696	1.0
128.06172	3.7
129.06976	10.9
130.07741	2.0
131.08551	40.9
133.05534	0.8
133.06487	1.9
133.10100	8.7
135.08012	2.4
135.11667	1.6
137.09596	2.2
141.06970	5.3
142.07753	3.4
143.08548	15.5
144.09297	1.8
145.06419	2.5
145.10107	54.1
146.43195	0.8
147.08015	1.9
147.11623	3.7
149.09605	2.1
152.66762	0.9
153.07008	0.9
154.07780	1.3
155.08537	8.6
156.09311	2.1
157.10110	21.1
158.10851	1.8
159.07990	2.8
159.11678	29.9
161.09549	3.6
161.13303	1.5
163.11188	1.3
167.08499	2.2
168.09312	2.4
169.10104	12.7
170.10835	0.9
171.11658	16.1
173.09599	3.3
173.11769	1.0
173.13245	15.4
174.13951	1.6
175.11087	3.8
175.14706	1.5
181.10109	1.8
182.10884	2.1
183.11676	13.9
185.13205	5.7
187.11168	3.6
187.14775	2.8
189.12704	1.6
191.14067	0.8
195.11717	1.1
197.13226	13.4
198.13834	1.0
199.14783	7.8
201.12721	4.6
209.49107	0.8
210.14029	1.0
211.14841	4.5
213.16408	5.3
215.14351	3.3
215.17915	3.4
229.19553	3.9
232.03787	0.7
239.17899	28.1
257.18970	100.0
257.26419	1.4
258.19287	2.2
258.27872	2.5
258.92273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40417	0.8
53.03913	0.7
55.01857	1.4
55.05506	8.9
57.03418	2.7
57.07064	1.7
59.04987	1.1
60.08158	0.8
61.78414	0.6
65.03928	1.1
66.76208	0.6
67.05499	21.5
69.07056	4.1
70.64575	1.7
70.64928	0.7
71.04958	1.0
79.05486	5.0
81.03406	0.8
81.07047	16.4
82.29127	0.6
83.04969	1.3
83.08613	3.0
85.06535	0.9
85.10168	1.0
91.05470	14.6
93.07021	4.2
95.04968	1.1
95.08598	8.6
97.06535	1.6
97.10149	1.6
99.08102	0.6
103.05489	0.7
105.07011	12.3
107.04957	0.7
107.08576	3.2
109.06520	0.8
109.10150	4.3
115.05450	1.9
116.06216	2.9
117.07005	12.9
118.07699	0.6
119.08574	5.3
121.10119	2.7
125.09611	1.0
128.06187	4.5
129.06987	8.5
129.11700	0.6
130.07747	4.6
131.08549	100.0
132.08899	2.1
133.06470	2.5
133.10126	3.8
133.10956	0.6
135.08000	1.2
135.11664	1.0
141.06949	5.1
142.07771	3.4
143.08540	27.0
144.05673	0.7
144.09311	0.9
145.06494	4.6
145.10104	78.3
146.10435	2.0
147.08028	1.3
147.11661	4.5
153.06961	0.8
154.07733	1.3
155.08517	7.6
156.09227	1.2
157.10117	15.9
159.08052	1.7
159.11674	14.0
161.09619	2.3
165.12727	1.9
167.08588	1.4
168.09373	1.2
169.10110	7.9
170.10759	0.7
171.11667	13.6
173.09583	1.1
173.13258	2.8
175.11137	1.0
182.10930	1.1
183.11679	11.9
185.13205	3.0
187.11176	9.3
187.14809	1.4
189.12741	1.3
190.96339	0.9
197.13254	8.3
199.14723	0.8
201.12741	1.5
211.14815	2.0
213.16318	1.1
215.14360	1.7
229.19572	1.8
239.17938	13.1
240.18263	0.7
257.18976	86.5
257.30310	10.3
258.19275	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03947	0.9
55.01864	1.3
55.05297	0.7
55.05510	8.2
57.03422	1.1
57.07071	1.5
59.23533	0.6
60.08156	1.3
61.28984	0.6
62.88688	0.6
65.03894	1.0
67.05162	1.3
67.05502	20.4
69.07059	4.5
71.04971	1.3
71.63533	1.0
72.31618	0.7
79.05485	9.6
81.07051	17.0
83.08609	2.5
85.06532	1.0
91.05476	13.0
93.07036	8.4
95.04964	1.4
95.08607	14.4
97.06499	1.6
97.10144	1.9
105.07020	16.1
107.04975	0.9
107.08591	5.9
109.06522	1.2
109.10161	5.7
113.09671	1.1
115.05415	1.7
117.07009	17.6
119.08570	9.9
121.06477	0.8
121.10177	3.6
123.11693	1.3
125.09644	1.3
128.06200	3.3
129.07004	8.8
130.07765	2.5
131.08563	33.0
133.06500	2.4
133.10126	10.4
134.99652	0.6
135.08047	1.6
135.11665	1.7
137.09599	1.1
141.06949	4.3
142.07794	2.2
143.08548	13.1
144.05684	0.7
144.09309	1.4
145.06496	3.8
145.10115	60.4
147.08000	2.4
147.11694	6.3
149.09613	0.9
153.06953	0.7
154.07727	1.6
154.94112	1.1
155.08551	6.9
156.09340	1.2
157.10114	12.6
158.07249	1.4
158.10863	0.9
159.08043	2.0
159.11691	18.3
161.09598	2.6
161.13240	1.8
163.11206	1.8
167.08514	3.7
168.09261	1.4
169.10126	10.0
171.11684	14.5
172.95245	5.1
173.09622	2.7
173.13229	9.9
175.11166	3.1
181.10088	1.1
182.10899	3.4
183.11659	9.8
185.13268	3.3
187.11166	10.4
187.14807	3.7
189.12889	1.0
190.96274	4.4
197.13232	13.9
199.14835	1.6
201.12715	2.1
210.96649	0.8
211.14731	2.4
213.16394	2.4
215.14357	3.2
215.17906	1.4
229.19498	21.4
230.19835	1.0
239.17934	17.1
254.10396	1.0
257.18991	100.0
257.30249	7.2
258.19345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0962
Annotation	Cochinolide
Peak:m/z	Relative Intensity
53.03931	0.5
55.01867	0.5
56.96553	0.2
57.03428	0.3
67.05490	0.6
69.03416	0.3
69.07056	0.5
69.49761	0.6
69.50190	0.9
79.05476	1.1
81.07063	0.4
85.02865	0.2
91.05470	0.3
93.07009	0.2
95.04950	1.3
95.08571	0.2
96.89217	0.2
97.06518	1.9
98.21072	0.8
98.97551	0.3
105.07024	0.4
107.04941	100.0
108.05310	0.2
115.05431	0.4
116.98632	0.2
119.04868	0.2
121.06508	0.2
128.06177	0.2
129.06958	0.4
131.08589	0.3
135.04398	1.0
141.06947	0.4
142.07750	0.3
143.08548	0.9
145.10066	0.2
147.04312	0.2
149.02235	0.2
149.05943	0.3
153.05446	9.1
156.10268	0.2
157.06421	0.3
157.10095	0.9
159.04425	0.2
159.11694	0.3
160.05186	0.4
161.02324	0.5
161.05954	1.0
163.03914	0.8
167.08543	0.5
169.06421	0.3
171.08037	0.2
171.11647	0.3
173.02328	0.6
173.05957	0.3
175.07620	0.2
184.05244	0.2
185.05908	0.4
185.09596	0.3
187.07564	0.5
189.05449	0.2
189.09059	0.9
191.07434	0.2
195.08037	0.6
199.07463	0.4
199.14793	1.2
203.07014	0.3
213.05457	0.2
213.09065	0.7
215.07007	2.1
217.08565	0.4
223.07547	0.2
231.10037	0.4
241.08557	0.8
259.06009	0.5
259.09607	6.3
259.13989	0.4
259.17035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0962
Annotation	Cochinolide
Peak:m/z	Relative Intensity
51.02378	0.3
53.03938	0.3
55.01873	0.3
55.05509	0.3
57.03432	0.1
67.05502	0.3
69.03442	0.1
69.07059	0.9
69.57362	0.9
71.04955	0.1
79.05482	1.3
81.03442	0.2
81.07043	0.3
85.01107	0.2
86.00607	0.1
89.03912	0.3
91.05466	0.1
93.07044	0.3
95.04964	1.1
95.08560	0.2
97.02854	0.1
97.06519	5.5
98.97578	0.2
105.07033	0.3
107.04940	100.0
108.05301	0.4
113.04204	0.3
117.03338	0.1
119.08627	0.2
121.06506	0.2
128.14438	0.1
129.06920	0.2
130.04973	0.2
133.02798	0.1
135.04401	1.2
143.08554	0.2
145.02805	0.3
145.10147	0.2
149.02374	0.1
149.05933	0.5
153.05444	8.8
154.05818	0.1
154.15855	0.2
156.08357	0.3
156.10234	0.1
157.10046	0.4
159.04430	0.4
159.11644	0.2
161.02316	0.7
163.03894	2.4
172.36928	0.1
173.02312	2.0
185.05949	0.1
199.14783	0.5
215.07018	2.8
241.08469	0.2
259.09570	6.0
259.16898	0.3
259.20493	0.3
259.23807	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	259.0964
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03925	3.8
55.01852	3.8
55.05493	3.9
56.96547	2.9
57.03417	1.3
65.03944	1.2
67.05495	6.2
69.03400	4.2
69.07040	4.8
69.60183	6.0
69.60591	2.4
71.01344	8.7
79.05465	5.1
81.03384	2.0
81.07030	5.4
83.04977	3.0
85.02873	2.1
91.05476	9.4
93.07034	6.4
95.04971	6.8
95.08591	3.0
97.02869	3.9
97.06523	15.8
98.97629	1.3
99.04446	1.2
105.07021	8.1
107.04927	1.7
107.08575	3.7
109.02890	11.9
109.10139	1.6
114.37978	1.2
115.05437	9.6
116.89899	1.3
116.98618	2.0
116.99565	1.1
117.06998	3.7
119.08543	5.2
121.06487	2.7
123.04440	3.3
127.03899	2.6
128.06192	5.5
129.06976	5.2
131.08546	4.8
133.06493	7.0
133.10136	2.3
135.04361	3.9
137.05943	2.0
141.06963	8.3
142.07721	5.6
143.04898	1.4
143.08554	13.2
144.09373	1.3
145.06454	2.4
147.04390	3.0
147.11700	1.8
149.02332	6.8
149.05940	3.1
152.06227	2.4
153.07018	1.6
155.08598	1.5
156.04364	2.0
157.06418	2.3
157.10109	12.5
159.04375	2.2
159.07974	2.0
159.11676	2.0
160.05190	46.9
161.02380	2.8
161.05972	100.0
163.03944	9.2
167.06993	1.1
167.08530	7.4
169.06480	3.6
169.10135	2.0
171.08051	3.4
171.11623	2.9
173.02394	6.6
173.05884	3.1
173.07111	6.1
174.06725	3.1
175.03903	3.4
175.07533	3.2
175.11220	1.2
184.05211	2.3
185.05925	5.7
185.09604	2.8
186.06680	1.7
187.07474	5.3
189.05470	2.9
189.09093	93.2
195.08017	7.7
197.05942	3.3
198.06682	1.6
199.07454	2.5
199.14825	16.9
200.04744	1.4
203.07066	2.6
212.04726	1.7
213.05409	3.6
213.09032	9.1
215.07021	44.4
217.08601	36.0
230.06964	3.1
231.06444	5.3
231.10059	2.1
241.08525	4.8
259.05972	4.7
259.09625	73.0
259.16907	3.3
259.20547	2.2
282.06549	1.5
283.86905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05512	14.9
57.07078	8.2
58.07404	2.3
62.06069	3.6
67.05497	13.6
69.07066	13.9
69.44540	1.5
71.08610	5.6
71.62341	2.3
72.04493	4.3
79.05492	10.5
81.07046	13.0
83.08614	9.9
91.05468	25.5
93.07018	13.3
95.04939	1.7
95.08599	10.3
97.06511	1.7
97.10152	2.3
99.08060	2.6
105.07021	47.8
107.04898	1.5
107.08573	8.3
109.06490	2.3
109.10154	2.1
111.11697	4.4
115.05411	2.7
117.07015	32.0
117.85978	1.5
119.08574	29.7
121.06479	6.4
121.10099	4.0
124.13547	1.8
128.06192	4.5
129.06981	17.0
131.08556	30.4
133.06511	10.5
133.10117	27.1
135.08051	2.9
135.11674	3.7
142.07747	4.5
143.08549	21.5
145.10106	28.6
147.08012	4.0
147.11670	27.6
157.10129	18.6
159.11679	40.4
161.13232	11.6
163.11235	1.9
171.11717	16.5
173.13254	25.1
175.11093	1.9
175.14674	2.4
177.12720	4.0
182.51401	1.6
185.11736	3.1
185.13251	16.0
185.14973	2.3
187.14778	2.7
189.12717	32.4
199.14815	18.6
213.14801	4.5
213.16505	3.6
213.23978	1.6
231.25107	16.9
241.19510	25.3
241.23520	6.9
244.25528	1.6
259.20547	100.0
259.24536	21.4
260.20682	1.8
262.84433	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05501	12.8
57.07058	4.0
59.74932	1.9
67.05492	11.2
69.06712	3.3
69.07059	39.0
69.32977	21.9
71.04591	2.1
71.04982	35.1
72.14764	1.8
74.86363	1.7
79.05470	5.8
81.07048	17.5
83.04964	6.4
83.08593	10.2
85.06527	26.0
85.77158	1.7
91.05457	12.6
93.07035	17.0
95.04946	4.4
95.08591	20.8
95.33562	1.8
97.06506	6.8
98.20786	3.9
105.07017	30.4
107.08582	20.8
109.06490	11.1
109.10151	16.0
111.08073	21.8
115.05399	2.9
117.07013	9.2
119.08566	65.6
120.71091	1.7
121.10126	13.4
123.08037	2.8
123.11675	28.6
129.06973	4.3
130.07805	2.4
131.08539	17.2
133.10114	42.6
135.08031	21.7
135.11650	4.8
137.09605	5.5
137.75394	1.8
142.07768	6.6
143.08589	9.0
144.09290	4.0
145.10101	33.1
147.11659	22.4
149.09584	3.5
149.13234	2.9
151.11211	2.6
151.15114	2.0
156.09329	3.5
157.10088	12.1
159.11673	29.3
160.12398	5.3
161.13231	37.8
163.11182	4.7
163.14774	2.4
170.10829	3.5
171.11678	18.5
173.13234	9.0
175.11186	5.2
175.14799	100.0
176.15511	6.7
177.12798	4.2
177.16286	5.3
185.13182	15.6
189.12740	4.6
189.16382	3.9
190.13452	3.2
199.14714	4.7
201.16356	27.0
203.14302	12.6
215.17920	6.4
217.19525	2.7
230.44299	2.2
236.96718	2.1
241.19479	21.1
259.20547	97.0
280.99854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.7
56.05025	10.1
56.36885	6.7
56.96562	100.0
57.03428	9.3
57.07052	21.2
60.04500	7.8
61.02892	8.0
67.05489	21.5
69.03407	21.1
69.72522	43.7
70.06566	15.4
72.08150	8.2
73.02896	13.1
74.97601	6.6
81.03392	7.1
81.07033	6.9
82.61560	5.4
84.04488	16.4
84.08131	61.0
85.02892	29.5
86.09695	22.8
91.05490	9.2
97.02877	27.9
98.97572	52.1
100.02187	21.9
101.02522	12.4
105.07008	8.3
109.02854	8.6
115.54633	5.9
116.98608	51.6
119.01899	19.2
119.08623	7.1
127.03845	9.3
128.98584	9.5
129.06989	8.3
129.10223	17.2
130.06500	62.3
130.08607	14.9
134.99611	52.0
137.05954	8.2
143.01880	12.7
143.08482	7.7
144.08904	7.2
146.02718	21.9
146.99643	22.5
147.03021	28.8
147.04221	6.8
153.00720	11.5
155.04561	6.4
157.07590	97.1
158.04477	14.4
158.10440	9.9
158.99637	18.2
161.01201	11.7
161.02882	16.6
161.04558	10.4
162.99098	12.2
170.05148	9.1
171.01089	15.5
177.00644	31.8
185.07091	8.4
186.04025	7.1
189.00656	12.1
191.02251	7.4
193.00192	8.1
200.05499	8.5
200.15108	23.7
201.00642	10.0
203.02145	7.3
209.05716	16.2
214.00220	12.2
217.05429	10.9
219.01575	15.0
221.03017	10.8
237.02734	37.9
255.03842	7.8
260.07690	17.6
260.10309	59.7
260.17212	8.4
260.19867	13.5
269.63586	7.5
273.02646	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	260.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62115	2.6
55.05494	7.5
56.96549	4.9
57.03405	3.6
59.04981	5.9
67.05490	12.8
69.07053	7.0
70.06884	15.6
71.04978	12.2
79.05497	15.6
81.03396	10.5
81.07049	17.8
81.07442	2.8
82.50256	2.6
83.04965	6.2
83.08604	6.0
85.06529	4.0
91.05475	16.8
93.07031	13.5
93.24181	2.6
95.04987	6.5
95.08595	5.6
97.06519	23.5
98.06866	10.9
98.97573	5.4
105.07009	11.1
107.04935	3.2
107.08574	11.1
111.08106	3.4
119.08557	7.9
120.89689	2.6
121.10117	10.0
128.73482	3.0
129.06984	5.1
131.08540	12.1
133.10126	16.5
135.04347	4.2
147.11685	14.0
149.09566	15.8
151.03951	3.3
154.70061	2.5
157.10127	12.0
159.11522	3.7
163.03888	6.8
164.04242	9.9
169.70143	3.0
174.02646	8.5
175.11157	15.0
177.00755	4.1
193.12230	27.8
204.13742	3.4
211.13278	100.0
211.15262	6.0
215.07027	3.4
216.07349	9.9
225.14821	7.9
238.09650	8.6
260.10022	7.5
260.12677	4.7
261.07526	3.9
261.77402	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	261.0304
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
55.37232	0.3
55.46961	0.3
56.60246	0.3
56.96564	1.6
59.62635	0.3
70.00843	1.3
81.19623	0.3
97.02856	0.4
98.20679	0.3
98.97569	6.2
101.00858	0.8
102.96849	0.7
116.98606	5.8
119.01913	6.4
120.97884	0.7
134.99640	3.8
137.02951	2.1
138.67346	0.3
138.98950	0.4
153.00787	0.5
158.99866	0.7
177.00934	11.5
178.01106	0.5
184.54289	0.3
201.00815	0.8
201.16287	0.4
208.02051	0.4
214.95506	0.3
217.04070	2.2
219.01993	18.5
220.02151	0.5
225.00798	1.8
232.93314	0.4
232.96640	0.6
237.02924	0.5
237.98807	0.4
242.98471	0.3
242.99207	0.3
243.01950	5.9
256.44882	0.4
256.96613	0.9
261.03036	100.0
262.03195	3.8
274.97598	0.7
278.96902	1.0
279.00598	5.4
279.98077	0.6
284.04590	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	261.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	15.5
57.03425	2.6
61.02894	1.8
63.40556	1.3
69.03416	4.0
70.76801	3.0
70.77156	3.7
71.04981	1.9
73.02912	2.9
83.04970	1.8
84.08115	2.5
85.02899	5.5
86.09692	2.5
97.02890	2.3
98.97581	14.5
99.04442	5.9
101.00878	2.4
103.43750	1.8
110.97560	3.4
113.03479	6.5
115.02417	1.5
116.98615	8.9
119.01908	8.4
120.97884	1.8
125.24915	1.5
128.98605	5.0
131.00171	2.4
131.01906	5.0
133.03461	7.6
134.99648	5.5
143.00113	1.7
145.03436	2.6
146.99657	3.5
148.03833	3.5
149.01146	2.0
155.01939	2.9
158.99649	3.6
159.05116	2.1
161.01175	2.5
161.03032	4.0
165.04263	1.7
170.99620	3.3
171.05013	2.2
172.97604	1.6
173.02843	1.5
177.00742	3.8
181.75159	1.6
187.00298	3.1
189.00714	2.6
189.06036	1.7
195.04736	3.4
203.04053	2.8
219.01755	4.6
221.05014	8.8
225.79489	1.6
229.03191	28.2
237.02817	5.7
261.03134	4.0
261.05820	100.0
261.09387	54.1
279.03864	1.7
279.09329	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1844
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
53.03936	2.1
53.37139	0.6
55.01862	0.8
55.05265	0.6
55.05506	11.2
55.65176	0.6
57.03419	0.9
57.07069	3.3
59.44981	0.6
61.80622	0.5
62.43302	0.5
65.03922	0.9
67.05498	31.7
69.07062	10.0
71.04977	1.8
71.08611	1.9
71.62639	1.0
74.64425	0.5
74.78760	0.6
77.28014	0.6
79.05484	41.7
80.10288	0.6
81.07046	33.4
83.04986	2.8
83.08607	5.4
85.06520	2.0
85.10163	1.1
88.79927	0.5
91.05473	23.3
91.75706	0.5
93.07034	58.2
95.04960	6.3
95.08595	27.2
96.35213	0.6
97.06535	3.1
97.10134	1.8
99.08051	3.1
103.05434	0.7
105.04489	0.7
105.07024	18.6
107.04993	0.8
107.08585	42.6
109.06477	2.9
109.10146	13.2
111.08057	2.7
113.09635	1.2
116.06147	0.6
117.07014	9.1
119.08564	23.9
121.10131	29.3
123.08061	1.8
123.11703	2.9
125.09669	0.9
129.06998	1.3
130.07774	1.6
131.08557	18.6
133.10106	12.6
135.08089	1.5
135.11674	18.3
137.09552	0.9
137.13239	1.4
143.08575	1.2
144.09341	1.4
145.10110	27.9
146.10780	0.7
147.08025	0.7
147.11670	8.7
149.09579	1.8
149.13240	14.5
151.14806	0.8
153.09065	1.1
153.12778	0.7
157.10075	1.2
159.11673	20.6
161.09651	0.9
161.13252	8.2
163.11177	1.1
163.14793	10.8
165.12823	1.0
171.11658	1.1
172.12325	0.7
173.09592	0.9
173.13240	13.4
175.14780	3.0
177.09102	0.9
177.16324	4.2
179.10721	1.0
179.14255	1.7
185.13173	1.0
187.14818	6.1
201.16373	11.0
215.17932	100.0
216.18343	1.0
217.19469	1.7
219.17453	1.8
233.19064	1.0
233.22682	1.4
238.45607	0.5
243.17303	1.5
243.21056	18.8
261.04025	0.8
261.18503	49.8
261.22110	68.1
262.22327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1845
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
51.02377	0.3
53.03933	1.3
55.01863	0.5
55.05500	10.4
57.03421	0.8
57.07063	3.3
65.03931	1.4
66.04704	0.3
67.05493	31.6
68.05842	0.3
69.07059	10.4
71.04984	2.2
71.08603	1.3
71.62418	0.3
71.62831	0.4
77.03924	0.7
79.05479	44.1
80.05836	0.2
81.07043	39.5
83.04978	1.3
83.08608	6.0
85.06523	3.4
85.10181	0.3
89.46362	0.3
91.05464	23.8
92.98531	0.3
93.07027	60.3
95.04956	4.5
95.08590	31.1
97.06514	2.4
97.10148	2.3
98.21061	0.4
99.08080	2.8
103.05455	0.4
105.04535	0.5
105.07011	21.5
107.08575	45.1
109.06513	2.4
109.10139	13.3
109.10903	0.5
111.08066	2.7
111.11688	0.3
113.08906	0.3
113.09634	1.1
117.06992	8.7
117.07832	0.4
119.08562	16.7
121.10122	37.7
123.08041	1.5
123.11691	4.2
125.09636	1.1
127.11166	0.5
128.06232	0.4
129.06972	1.2
130.07759	1.3
131.08543	17.0
133.10110	14.2
135.08081	0.6
135.11670	27.4
137.09584	1.3
137.13213	1.1
139.11168	0.5
143.08511	1.2
144.09349	1.1
145.10098	23.9
146.10764	0.3
147.11664	9.9
149.09607	0.7
149.13234	22.0
151.11154	0.9
151.14764	0.8
153.12657	0.7
157.10100	1.1
158.10866	0.7
159.11668	19.5
161.13228	9.5
163.11139	1.0
163.14793	17.2
165.12733	1.1
165.16393	0.3
171.11615	0.7
173.13239	12.2
175.14799	4.4
177.12807	0.3
177.16367	5.2
177.17804	0.4
179.14279	1.1
185.13255	0.7
186.13939	0.4
187.14790	5.9
189.16360	0.9
191.14355	0.3
199.14793	0.3
201.16347	24.8
202.16721	0.6
203.14354	0.3
203.18002	0.3
205.15875	0.7
215.17900	3.1
217.19418	0.7
219.17360	2.4
233.22583	1.4
243.21043	27.6
261.22092	100.0
262.22400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01870	0.6
55.05510	10.8
56.71925	0.4
57.03436	1.2
57.07077	3.1
65.03947	0.9
67.05502	29.8
68.31447	0.4
69.07066	9.3
69.48491	4.1
70.08897	0.4
71.04990	2.4
71.08636	0.9
74.07316	0.4
77.03936	0.5
79.05490	42.6
80.05814	0.4
81.07055	35.9
83.04989	0.9
83.08616	4.9
85.06542	2.4
91.05476	20.9
93.07042	56.3
94.07351	0.8
95.04968	4.8
95.08602	26.0
97.06528	2.1
97.10155	2.4
97.12966	0.4
99.08112	2.3
105.04520	0.5
105.07023	14.4
107.08592	40.0
109.06528	2.2
109.10155	11.2
111.08073	2.6
111.11744	0.7
113.09635	0.9
117.07020	5.6
119.08578	11.9
121.10139	34.4
123.08066	1.7
123.11694	3.1
125.09628	0.7
129.06990	0.8
131.08565	12.4
133.10123	11.0
135.07990	0.5
135.11691	27.2
136.12065	0.6
137.09607	1.2
137.13274	1.3
139.11159	0.5
145.10112	12.9
147.11679	9.5
149.09622	0.6
149.13251	20.6
151.11176	0.9
151.14853	0.6
159.11684	11.1
161.13251	9.9
161.35565	0.5
163.11180	0.7
163.13420	0.7
163.14809	15.5
165.12779	1.1
173.13252	9.6
175.11169	0.5
175.14810	4.5
177.16385	4.4
179.14294	1.8
187.14799	5.7
189.16272	0.8
201.16415	3.8
202.16856	0.4
205.15852	0.7
215.17924	6.8
219.17433	0.9
227.54335	0.4
233.22681	1.2
243.21072	25.3
244.21272	0.6
261.04138	0.5
261.22134	100.0
262.14362	0.5
262.22452	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	1.6
55.01865	0.6
55.05503	11.2
57.03427	1.0
57.07068	3.5
65.03931	1.0
67.05495	30.3
69.07060	10.5
70.89168	0.8
70.89507	0.4
71.04983	1.6
71.08617	1.3
77.03912	0.7
79.05482	42.7
80.05824	0.5
81.07045	39.5
82.07384	0.6
83.04974	0.8
83.08601	5.9
85.06528	2.5
91.05467	20.2
93.07030	57.6
94.07352	0.4
95.04957	5.1
95.08594	29.6
97.06519	2.5
97.10165	1.9
98.21357	0.4
99.08060	2.9
105.04515	0.4
105.07014	18.7
107.08579	40.5
108.08907	0.6
109.06486	1.9
109.10142	13.4
111.08065	2.8
111.11690	0.3
113.09637	1.1
114.70810	0.4
116.06268	0.4
117.06996	6.9
119.07923	0.4
119.08563	14.2
121.10127	36.4
123.08055	1.0
123.11682	4.3
125.09612	0.7
129.06973	1.0
130.07755	0.9
131.07561	0.7
131.08549	15.8
133.10109	12.0
135.11673	27.1
137.09596	1.4
137.13249	1.4
139.11182	0.9
143.08554	1.0
144.09354	0.7
145.10101	20.0
147.11661	9.1
149.09587	0.5
149.13234	21.1
150.13661	0.4
151.11157	0.8
151.14868	0.5
153.12685	0.4
157.10094	0.8
158.10825	0.3
159.11676	15.4
160.12051	0.4
161.13232	10.0
163.11229	0.4
163.14795	15.8
165.12752	1.2
171.11638	0.5
173.13248	10.6
175.14825	4.1
177.16354	5.1
179.14323	1.7
185.13391	0.4
187.14803	6.3
189.16394	0.5
191.14244	0.5
191.17998	0.4
196.21938	0.3
201.16357	18.1
203.17874	0.4
205.15962	0.7
215.17882	2.6
217.19516	0.6
219.17352	1.9
233.22705	0.7
237.43275	0.3
243.18378	0.6
243.21051	24.7
261.22104	100.0
262.22488	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02373	0.4
53.03956	2.0
55.05260	0.3
55.05502	9.1
57.03436	1.1
57.07074	3.6
59.05038	0.4
65.03924	1.2
66.16804	0.5
67.05496	28.3
69.07059	9.5
69.52311	3.5
71.04982	1.7
71.08617	0.8
77.03927	0.4
79.01250	0.4
79.05484	40.1
81.07048	36.7
81.07559	0.3
83.04997	0.6
83.08614	5.4
85.06533	2.7
91.04882	0.5
91.05473	20.4
93.07033	54.5
94.07360	0.7
95.04960	5.2
95.08593	25.7
97.06528	2.6
97.10166	1.8
99.08102	3.1
105.06475	0.3
105.07014	13.7
107.08583	36.4
108.08945	0.6
109.06522	2.1
109.10145	9.9
110.10558	0.6
111.08081	1.7
113.09628	1.6
117.07015	5.1
119.08566	10.3
121.10128	32.4
122.10550	0.6
123.08059	1.7
123.11690	4.0
125.09607	0.6
131.08553	11.7
133.10118	10.1
135.08104	0.6
135.11679	25.8
136.12039	0.5
137.09602	1.5
137.13248	1.4
139.11169	0.6
143.08627	0.5
145.09125	0.3
145.10109	12.2
147.11671	8.6
149.09636	1.1
149.13237	20.6
151.11192	1.1
151.14813	0.8
153.12743	1.1
159.11678	8.6
161.13248	10.5
161.29155	0.4
163.11125	0.5
163.14810	15.3
165.12775	0.5
172.12344	0.5
173.13234	8.6
174.13708	0.5
175.14796	3.7
177.12732	0.5
177.16405	4.3
179.14314	1.3
187.14818	6.2
189.16386	0.9
191.14322	0.6
193.15923	0.6
195.43179	0.4
201.16359	2.8
203.17818	0.5
215.17935	14.0
217.19543	0.7
219.17407	0.7
233.22638	1.3
243.21060	27.2
244.21268	0.6
261.03931	0.5
261.18735	4.8
261.22110	100.0
262.18732	0.6
262.22473	2.2
273.96753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	0.4
53.03939	1.2
55.01875	0.6
55.05252	0.5
55.05500	7.2
57.03421	1.0
57.07062	2.8
61.54454	0.2
65.03935	1.1
67.05493	25.7
69.07054	8.3
69.52898	1.9
69.53307	0.6
71.04968	1.6
71.08620	1.1
77.03909	0.7
79.05481	33.8
81.07043	29.9
83.04951	0.9
83.08602	5.4
85.06527	3.0
85.10176	0.4
91.05468	15.4
93.07027	46.1
95.04960	3.2
95.08592	24.0
97.06519	2.4
97.10149	2.2
98.21037	1.0
99.08075	2.7
103.05468	0.4
105.04527	0.6
105.06277	0.4
105.07008	11.3
107.08577	31.6
109.06493	1.5
109.10143	10.2
111.08073	1.9
111.11670	0.3
113.09646	1.0
117.06998	4.1
119.08560	9.6
121.10123	32.1
123.08059	1.2
123.11684	3.7
125.09624	1.1
130.07855	0.5
131.08545	9.3
131.09497	0.6
133.10112	9.2
135.08075	0.5
135.11670	24.7
137.09627	1.2
137.13245	1.1
139.11157	0.5
143.08553	0.4
145.10103	10.1
147.11655	8.5
149.09608	0.4
149.13229	19.2
151.11172	1.3
151.14819	0.5
153.12755	0.6
159.11671	7.6
161.13232	8.3
163.11156	0.5
163.14796	15.0
165.12692	1.0
167.14337	0.3
173.13240	8.1
173.14661	0.5
175.14816	3.0
177.16359	4.4
179.14328	1.2
187.14818	5.3
189.16356	0.8
191.14326	0.6
201.16345	2.7
205.15858	0.8
215.17950	1.2
219.17485	0.5
233.19026	0.4
233.22592	1.3
241.14195	0.3
243.21045	25.9
254.66542	0.3
261.22098	100.0
262.22357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02380	0.5
53.03941	2.1
55.01863	0.7
55.05505	13.5
57.03436	1.1
57.07069	4.2
65.03939	1.8
67.05498	41.6
67.57046	0.4
69.03403	0.5
69.07060	12.3
69.75897	0.5
71.04991	2.1
71.08627	1.8
77.03909	0.9
79.05485	53.9
81.07050	47.8
81.07581	0.4
81.07748	0.7
83.04975	1.0
83.08609	7.5
85.06554	2.9
85.10203	0.4
91.05472	28.5
93.07034	73.6
94.07343	0.9
95.04962	6.0
95.08597	33.2
97.06511	3.7
97.10164	2.1
98.21645	0.7
99.08072	3.0
105.04542	0.9
105.07021	19.4
107.08582	45.6
108.08892	0.7
109.06489	2.4
109.10142	13.4
111.08065	3.9
113.09612	1.4
117.06992	6.3
119.06053	0.7
119.08572	15.7
121.10132	42.5
122.10448	0.6
123.08067	1.7
123.11675	3.9
125.09641	1.0
129.07045	0.5
131.08559	13.6
133.10117	12.5
135.11678	31.1
136.12057	0.6
137.09608	1.2
137.13261	1.2
139.11185	0.8
143.08571	0.7
145.10106	14.9
147.11674	11.5
149.09648	0.8
149.13240	24.8
151.11150	0.8
151.14792	1.0
153.12712	1.0
153.95665	0.5
159.11690	9.9
161.13240	11.0
161.91251	0.6
163.11201	0.9
163.14810	18.4
165.12749	1.6
171.11684	0.5
173.13242	9.9
175.14812	4.8
177.12773	0.6
177.16376	5.7
179.14310	1.3
187.14752	5.7
189.16365	0.6
201.16339	2.4
203.17940	0.8
205.15909	0.5
215.17941	2.0
217.19543	0.5
219.17319	0.7
233.22574	0.9
243.21056	29.9
244.21635	0.7
261.22119	100.0
262.14359	0.7
262.22519	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01858	0.9
55.05503	10.4
57.03429	1.3
57.07066	4.3
65.03925	1.1
67.05494	34.2
68.42555	0.4
69.07059	12.1
69.81280	0.4
71.04993	2.1
71.08619	1.9
77.03911	0.5
78.97706	0.4
79.05482	49.0
79.58765	0.4
80.05800	0.7
81.03389	0.5
81.07045	39.0
83.04971	1.5
83.08612	5.6
85.06522	3.2
91.04874	0.7
91.05463	21.7
93.07030	68.8
95.04956	5.6
95.08593	30.3
97.06532	2.7
97.10148	2.5
98.20700	1.0
99.08073	2.8
103.05467	0.7
105.04494	0.7
105.07014	16.8
107.08579	41.3
109.06499	1.9
109.10140	14.4
111.08060	2.1
111.11683	0.7
113.09651	0.5
117.06994	5.7
119.07884	0.4
119.08564	12.2
121.10126	36.8
123.08060	1.2
123.11697	4.6
125.09616	0.9
131.08553	13.6
133.10114	11.5
133.11064	0.8
135.08041	0.8
135.11671	30.6
136.94174	0.4
137.09587	1.3
137.13223	1.2
139.11237	0.9
145.10103	13.4
147.11674	10.8
149.09557	1.1
149.13231	22.2
151.11182	1.2
151.14816	1.0
153.12755	0.8
159.11685	10.0
159.14919	0.4
161.13223	8.9
163.11195	0.5
163.14801	16.9
165.12730	1.3
173.13237	8.5
175.14784	4.0
177.16357	5.3
179.14314	0.8
187.14767	7.2
189.16312	0.7
191.14275	0.5
191.34328	0.5
201.16353	3.1
205.15817	0.6
215.17949	3.8
217.19492	1.2
219.17476	0.9
233.04291	0.5
233.22620	1.8
243.21056	28.0
261.03964	0.9
261.22104	100.0
262.14450	0.7
262.22391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80804	8.2
56.96555	13.5
57.90162	7.4
63.63390	7.7
69.00800	9.6
69.03434	8.1
70.82614	23.5
85.02898	12.2
97.02909	15.8
98.97564	14.5
101.00858	10.2
108.22640	7.4
116.98628	8.8
117.89976	9.9
119.01901	42.3
131.01907	14.3
138.72672	9.8
143.01840	32.6
155.01901	12.9
161.02957	100.0
164.02711	9.5
173.02914	31.6
191.04025	32.4
203.03987	23.3
263.01651	99.2
263.06049	50.6
281.10233	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	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16227	3.3
55.67005	3.1
56.96552	11.1
57.03403	3.8
70.53215	15.1
73.02898	3.9
82.04762	3.4
84.96053	3.9
85.02879	6.2
98.97602	7.7
101.00867	6.9
107.63515	3.3
116.98589	10.5
118.45767	3.5
119.01899	35.3
131.01874	21.5
137.02925	7.9
143.01895	29.9
144.41261	4.2
155.01923	9.0
157.03453	4.1
161.02946	100.0
161.04295	4.8
162.49117	3.4
173.02910	30.0
179.03983	6.4
184.04512	5.6
191.03964	24.2
202.98929	4.2
203.03944	21.2
217.00078	4.4
221.05191	5.9
231.13853	4.2
239.06107	4.0
263.01682	29.3
263.06039	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	263.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92082	1.2
55.76379	1.3
69.92608	3.0
69.93021	4.9
83.50231	1.3
87.64809	1.4
97.02901	2.1
101.00880	10.3
113.00854	3.6
119.01912	29.7
119.02686	2.7
131.01903	22.1
137.02969	4.6
143.01875	29.8
143.02870	2.3
145.03465	3.1
149.03009	3.4
155.01859	11.8
157.03448	2.5
161.02948	100.0
173.02953	35.4
175.04578	1.8
179.04071	3.3
184.04608	3.3
185.03015	4.8
191.03990	31.4
197.02979	2.4
203.04018	20.8
215.04007	4.0
221.05002	8.4
233.05103	2.3
239.06171	2.3
245.05070	2.7
263.01654	10.8
263.06021	61.4
266.95853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81633	0.3
56.96527	0.7
57.03419	0.4
58.99841	0.7
69.03400	1.1
69.47966	2.1
73.02885	1.2
77.00875	1.1
81.03391	0.4
82.99786	1.9
84.00597	0.4
85.02861	1.1
92.80530	0.3
95.01894	0.4
97.02875	2.3
98.97562	0.4
101.00862	10.4
105.00356	0.9
109.02871	0.4
113.00832	3.0
116.98582	0.5
119.01907	37.0
120.02012	0.6
127.03914	0.4
131.01889	21.0
133.03459	1.2
137.01929	0.5
137.02939	5.5
142.03476	0.6
143.01875	30.8
144.01930	0.4
144.22247	0.3
145.03450	2.0
149.02937	3.9
154.03479	0.5
155.01863	11.9
157.03468	3.6
161.02934	100.0
162.03094	1.6
163.04587	0.4
167.01909	0.6
171.05066	0.3
173.02942	35.9
174.03154	0.4
175.04526	1.4
179.03990	3.9
183.04938	0.5
184.04559	3.9
185.02924	5.2
187.04495	0.5
191.03983	24.9
196.04539	1.1
197.02931	3.0
203.03989	18.7
207.30946	0.3
214.05624	0.9
215.03999	2.6
221.05045	6.3
233.05034	3.4
239.06070	3.0
244.06633	0.4
245.05138	1.7
263.01575	2.9
263.06091	45.0
264.06287	0.6
281.07285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19936	0.9
62.74861	0.9
69.70974	7.0
69.71311	0.9
82.99815	1.6
83.92336	0.8
97.02858	1.5
101.00862	8.6
113.00885	1.5
119.01910	32.1
131.01888	18.3
132.54802	1.0
137.02946	3.7
143.00826	1.8
143.01883	28.1
145.03467	2.5
149.02960	4.1
155.01872	10.3
157.03452	3.6
161.02940	100.0
173.02936	30.8
175.04471	1.7
179.03987	2.9
181.39374	0.9
184.04575	2.7
185.02954	4.3
191.03996	26.3
191.25635	1.1
197.02966	1.6
203.02237	1.7
203.03995	20.9
214.05690	1.0
215.03867	1.2
221.05043	7.1
233.05061	2.1
239.06087	3.7
245.05034	1.1
263.06097	48.9
277.39743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
53.03923	1.5
55.01875	3.4
55.05486	6.3
57.07027	1.9
63.12923	1.2
65.03918	1.8
65.81341	1.8
67.05481	7.8
69.03415	10.1
69.07045	3.0
71.63389	3.5
79.05476	9.2
81.03392	1.7
81.07046	10.6
83.04970	19.7
85.02897	15.5
89.16384	1.5
91.05478	11.4
93.07036	9.2
93.28621	1.3
95.04948	7.4
95.08576	4.2
97.02879	3.4
103.53233	1.4
105.07024	21.9
106.68097	1.6
107.04929	2.4
107.08578	17.3
109.02873	3.1
109.06488	9.1
109.10111	5.2
111.04408	1.7
111.08069	2.0
113.02356	39.6
115.05402	4.7
117.07018	7.3
119.04924	2.1
119.08554	9.8
121.06474	8.8
121.10130	1.9
123.04391	4.8
123.08031	5.1
123.11673	5.7
128.06187	2.6
129.06946	5.2
131.03374	2.7
131.08539	6.4
133.06456	14.8
133.10097	8.1
135.07089	2.5
135.08035	25.5
137.05931	4.1
141.06979	2.2
142.07741	5.5
143.08548	9.3
145.06422	3.7
145.10075	4.9
147.08012	10.1
147.11641	4.2
149.05890	2.9
149.09610	12.1
151.11156	23.4
156.09331	14.4
156.20923	1.6
157.06413	1.7
157.10059	9.0
158.07338	2.0
159.08003	5.7
159.11647	5.3
160.08838	4.1
161.05969	24.1
161.09555	7.5
161.13229	1.9
163.07492	5.4
165.06931	1.8
165.09065	1.9
166.07671	2.3
169.06363	1.9
171.07928	2.4
171.11671	12.6
172.08881	3.3
173.09578	5.4
173.13217	3.3
174.10347	2.7
175.07567	11.4
175.11166	22.9
177.09081	1.7
177.12766	2.8
179.07019	5.6
181.10063	5.0
184.08815	9.0
185.09578	7.6
187.07533	6.8
187.11179	9.3
188.08299	5.6
189.05438	7.5
189.09084	5.1
189.12738	15.8
193.08574	6.1
199.11166	34.2
201.12712	2.5
202.09860	7.9
203.10638	27.4
205.08536	3.1
207.06488	7.4
209.09630	3.6
212.08348	10.1
215.10674	2.5
217.12204	36.7
221.11841	1.8
227.10629	38.5
233.11676	5.8
235.13196	3.6
245.11705	100.0
263.12747	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
53.03924	11.9
55.01858	5.4
55.05492	11.7
56.96545	4.9
57.03420	3.1
65.01642	2.6
65.03909	8.8
67.05501	32.4
69.03419	27.1
69.07041	7.5
70.06586	14.3
71.02106	9.4
71.04958	6.6
72.08130	3.6
79.05487	21.1
81.03403	3.5
81.07040	31.7
81.91493	2.6
83.04972	40.0
83.08605	3.3
85.02880	10.3
85.06507	3.1
86.09688	4.2
86.43159	2.6
91.04958	3.0
91.05470	34.9
93.03387	3.9
93.07040	38.3
95.04958	54.5
95.08597	67.4
97.02894	13.2
97.06519	13.6
98.97528	3.6
99.04406	4.5
102.82171	2.5
103.05443	6.6
105.04548	2.8
105.07015	39.5
107.04945	12.5
107.08574	30.2
109.02868	84.6
109.06509	25.1
109.10126	4.0
111.04401	17.8
111.08044	4.6
115.05390	6.4
116.06314	4.6
116.07079	43.5
117.07018	14.8
118.76588	3.0
119.01884	7.3
119.04951	3.8
119.08580	20.7
120.08092	45.4
121.02818	9.5
121.06503	40.1
121.10087	7.3
123.04413	15.1
123.08053	16.9
125.06004	5.6
127.03922	3.3
128.06174	8.1
129.06990	13.3
131.04855	2.9
131.08524	21.5
133.06496	14.6
133.10118	14.7
134.99640	4.3
135.04424	3.9
135.08041	21.3
137.06026	14.6
139.03859	16.6
139.07521	3.4
141.05440	5.6
141.06961	10.1
141.09111	2.6
142.07732	14.6
143.01831	4.5
143.08554	28.4
145.06482	13.4
145.10091	14.9
146.07245	3.2
147.04375	6.6
147.08025	21.1
147.11653	6.5
149.05939	8.4
151.03920	2.7
151.07542	17.0
153.05460	4.5
153.06920	3.6
154.07736	3.5
155.08493	5.6
156.09355	14.2
157.06416	4.6
157.10130	23.4
159.08061	23.9
159.11609	12.9
161.02914	21.0
161.05894	9.2
161.09595	24.1
163.07475	9.2
165.06918	4.9
165.09026	4.2
166.07715	7.3
167.07101	14.9
167.08328	4.6
169.06288	3.2
169.10043	4.4
171.08035	6.3
171.11638	17.9
172.08707	3.3
173.03093	3.1
173.09535	10.4
173.13144	3.5
175.07481	10.5
175.11172	19.9
177.05641	3.3
177.09050	10.7
179.06979	8.6
181.04930	3.1
181.08565	5.3
181.10051	6.8
182.07256	2.7
183.11560	2.8
184.08830	5.4
185.05923	3.7
185.09555	11.3
187.07533	18.2
187.11137	12.6
189.09106	7.2
189.12701	9.2
191.06963	8.5
191.10597	3.1
193.12209	3.3
197.09511	7.0
199.07217	4.0
199.11168	37.7
201.09064	4.3
201.12895	3.9
203.03937	7.7
203.10646	33.0
205.08527	10.6
205.12154	7.6
207.06534	3.9
207.10214	4.9
209.09538	7.2
215.10591	13.1
217.12163	29.1
219.10141	7.5
221.11707	19.3
227.10608	19.0
233.11678	4.2
235.13174	4.1
245.11691	65.3
263.05499	3.5
263.12723	100.0
263.16345	6.2
263.19940	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	263.1277
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
55.01864	2.8
55.05510	7.1
56.96553	2.4
57.03428	1.8
57.22653	1.3
63.14423	1.4
65.03941	1.4
67.05499	7.3
67.06081	1.4
68.99781	1.7
69.03420	10.6
69.07038	2.9
70.21587	5.0
71.01322	1.5
77.51447	1.5
79.05482	11.4
81.03405	2.3
81.07049	12.6
83.04974	19.9
85.02889	16.1
91.05466	13.9
93.07043	12.4
94.63965	1.4
95.04965	8.5
95.08581	6.5
97.02875	4.0
97.06532	3.8
98.20841	2.0
98.97519	1.5
103.05495	2.0
105.06373	2.2
105.07019	28.5
107.04953	2.8
107.08576	19.0
109.02843	4.2
109.06503	9.8
109.10136	4.4
111.04415	4.9
111.08049	3.3
113.02351	30.6
115.05428	4.1
116.98632	3.3
117.06987	6.1
119.01891	3.2
119.04934	2.6
119.08572	18.0
121.06540	6.6
121.10099	7.3
123.04417	5.2
123.08037	5.5
123.11680	5.8
125.05967	3.2
128.06161	2.8
129.06969	6.4
131.03372	2.4
131.04880	2.7
131.08530	10.7
133.06464	12.8
133.10097	13.9
135.07079	2.2
135.08044	23.9
135.11670	2.0
137.05940	2.9
137.09586	3.3
138.05528	3.2
139.07452	1.9
141.06956	3.9
142.07764	6.6
143.08510	10.1
144.09314	2.8
145.06485	4.5
145.10138	8.0
147.04387	1.8
147.07994	7.1
147.11682	16.2
149.05957	2.9
149.09619	13.2
151.07500	2.5
151.11139	19.0
155.08514	2.8
156.09334	14.6
157.06456	2.1
157.10110	12.5
159.08057	10.1
159.11644	6.7
160.08804	4.9
161.02921	2.9
161.05943	21.2
161.09546	8.5
161.13274	3.5
163.07523	7.2
165.09105	2.6
166.07782	2.7
169.06454	3.6
171.08029	2.9
171.11659	14.5
173.09593	5.6
173.13274	2.8
175.07533	12.0
175.11166	20.8
175.14810	1.7
177.09119	2.9
177.12749	4.1
179.06996	5.4
181.10080	4.4
183.08107	1.6
184.08829	8.7
185.02945	2.7
185.09631	8.5
185.13271	3.8
187.07541	4.5
187.11198	7.3
188.08282	3.8
189.05435	9.6
189.09096	2.8
189.12700	11.6
193.08588	4.5
199.11162	26.6
199.14754	2.7
201.09122	1.9
201.12737	2.7
202.09860	6.3
203.03967	3.9
203.06969	2.0
203.10651	30.6
203.14194	1.5
205.12297	1.5
207.06526	4.5
209.09575	2.4
212.08304	9.1
215.10722	1.6
217.12199	36.4
217.15669	2.8
221.11749	1.9
227.10658	38.9
227.14201	2.3
230.09401	2.5
233.08052	2.5
233.11696	5.2
235.13264	3.2
245.11702	100.0
245.15367	6.4
263.06711	2.9
263.12775	91.7
263.16342	16.2
275.05963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1639
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
51.94431	2.1
53.03923	3.0
55.01860	9.1
55.05508	35.1
56.29950	2.3
56.96543	5.3
57.03449	2.4
67.05487	11.5
68.96922	2.3
69.03426	4.4
69.07060	6.1
71.04961	5.3
71.61688	2.7
71.62125	2.8
73.18229	2.8
79.05498	12.9
81.07048	42.7
83.08605	100.0
86.32256	2.4
91.05470	18.5
93.07031	34.1
95.04959	9.1
95.08047	2.9
95.08582	16.3
97.06493	7.9
97.10204	2.7
98.21204	2.8
104.99275	9.1
105.07031	12.3
107.05004	3.3
107.08583	41.2
109.06506	77.8
109.10141	7.9
111.08075	14.9
113.09605	3.0
115.19553	2.7
117.07010	3.6
119.04938	4.9
119.08576	10.4
121.06536	5.1
121.10101	12.8
123.08078	8.6
125.09624	9.1
129.07011	3.0
131.08542	7.2
133.10117	8.0
135.11673	4.9
137.05943	22.4
139.11171	17.8
143.08524	4.9
145.10095	7.3
147.08040	10.9
147.11716	3.3
149.09596	5.7
149.13226	3.6
153.09082	11.7
157.10144	9.1
159.08083	4.0
159.11682	12.2
161.09598	7.3
161.13245	3.2
169.10039	3.7
171.11754	5.1
175.11263	4.2
177.12788	4.7
181.12247	15.3
185.13249	4.8
187.11198	6.8
199.06406	2.9
199.11256	2.6
203.10675	3.5
203.14320	13.2
205.12166	14.0
217.07347	3.1
217.12163	3.4
221.15277	21.3
245.15343	8.3
263.12564	2.9
263.16345	19.2
263.20120	14.0
281.10583	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	263.2001
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03939	1.5
55.01867	2.1
55.05501	17.1
56.41131	0.8
56.96590	0.8
57.03173	0.8
57.03426	4.5
57.07062	1.4
59.05001	1.4
64.03006	0.8
65.03917	1.1
65.91350	0.9
67.05490	27.5
69.03415	1.8
69.07053	12.3
69.07389	1.0
69.54993	4.3
69.55405	2.1
71.04989	2.9
79.05479	64.7
81.03416	1.2
81.07045	34.4
83.04957	4.0
83.08613	8.5
85.06541	2.7
88.07625	2.1
91.05464	30.6
93.07030	85.4
95.04958	9.5
95.08592	30.6
97.06508	4.0
97.10139	4.6
98.21463	1.5
99.04477	1.3
99.08073	2.0
99.47980	0.9
103.05454	1.4
104.99270	1.3
105.07011	23.9
107.04983	1.0
107.08576	68.0
109.06511	6.8
109.10143	12.1
111.04471	1.5
111.08090	2.7
115.05461	1.2
117.07000	4.7
119.08562	19.7
121.06509	2.0
121.10125	69.4
123.08089	4.0
123.11723	2.4
125.09621	1.1
127.07536	1.5
128.06206	1.7
129.06995	2.4
131.08546	8.2
133.10118	17.0
135.08084	3.9
135.11673	34.5
137.09648	3.6
141.03827	0.9
141.06955	1.0
143.08525	6.8
145.10097	5.9
147.08066	3.8
147.11690	11.1
149.09618	3.6
149.13235	14.3
151.11224	2.2
153.09143	1.4
157.10112	4.8
159.08060	1.5
159.11649	6.4
161.09554	4.7
161.13197	4.6
163.07532	1.4
163.11176	2.8
163.14828	1.9
167.10674	1.1
171.10408	0.8
171.11629	4.3
173.13280	3.3
175.11214	3.6
175.14786	1.5
177.12769	1.3
179.10590	1.1
181.12219	1.6
185.13243	4.1
187.11195	1.0
189.09129	2.1
189.12701	1.5
191.14340	2.0
192.09293	1.1
193.12149	1.7
199.14890	2.8
203.10600	1.6
203.14299	2.5
203.17990	2.4
207.10057	1.7
207.11893	1.1
207.13751	1.9
215.22034	3.5
217.15887	2.4
217.19518	1.8
221.15361	2.8
227.17915	4.8
233.13353	1.4
245.11650	1.6
245.15414	3.1
245.18945	6.6
248.15506	1.2
263.16495	32.7
263.20093	100.0
263.23972	8.2
264.20401	1.0
268.84674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03929	2.9
55.01859	2.3
55.05257	1.6
55.05500	21.1
57.07069	1.9
65.03932	2.1
67.05164	2.2
67.05494	30.4
68.05817	1.1
69.07060	14.2
71.04971	3.2
73.06533	1.6
77.35480	1.2
79.05482	81.0
80.05812	1.4
81.07044	41.8
82.07380	2.1
83.04974	2.6
83.08611	6.4
85.06519	1.6
91.05466	26.0
93.07029	100.0
94.07371	1.7
94.52735	1.3
95.04963	10.1
95.08595	33.4
96.08936	1.5
97.06535	1.5
97.10149	5.7
98.20828	4.2
98.21510	3.0
105.04527	2.2
105.07006	20.2
107.08578	68.0
108.08897	1.8
109.06509	3.8
109.10133	14.8
110.87376	1.2
117.06973	3.0
119.08566	15.0
121.06456	2.1
121.10124	66.6
123.08066	2.5
123.11720	3.1
125.09648	1.3
129.06981	3.4
131.08557	4.0
133.10135	11.9
135.11670	37.5
135.12691	2.0
136.12047	2.2
143.08537	3.3
144.89618	1.4
145.10139	5.2
147.11665	7.2
149.09602	3.1
149.12112	2.0
149.13219	13.2
157.10147	3.2
159.11682	4.0
161.13258	3.8
163.11119	1.8
163.14838	1.9
171.11691	2.6
173.13235	1.5
177.12704	1.2
185.13219	2.7
189.12703	2.2
193.12158	1.9
199.14822	3.4
207.13850	2.5
217.15848	2.4
217.19617	1.7
221.15338	3.6
227.18031	3.2
229.20549	1.3
245.18983	6.3
245.21744	1.4
258.96194	1.2
263.08121	1.5
263.20062	72.5
263.23038	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	263.2002
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
52.83571	0.7
53.03930	2.9
55.01873	4.1
55.05267	1.3
55.05505	19.6
57.03420	2.5
57.07060	1.8
65.03902	0.9
67.05497	33.4
69.03412	2.3
69.07056	15.2
69.94595	2.5
69.95005	1.4
71.04980	4.0
72.54188	0.8
79.05484	38.1
81.03419	3.8
81.07047	34.3
83.01295	0.8
83.04958	3.4
83.08607	11.7
85.02879	1.1
85.06510	1.9
91.05473	22.0
93.07031	58.1
95.04971	6.4
95.08594	32.7
96.45699	0.8
97.02846	1.3
97.06503	4.5
97.10146	3.9
98.21075	2.2
99.04417	1.0
99.08033	1.2
104.99243	2.0
105.06374	1.4
105.07017	18.3
107.04943	1.7
107.08578	39.3
109.02839	0.9
109.06518	4.7
109.10141	18.1
109.37119	0.8
111.04459	1.3
111.08076	7.4
113.06007	0.9
113.09653	0.8
117.06978	2.8
119.08568	11.6
121.06504	2.0
121.10131	40.3
123.08051	3.0
123.11716	4.8
125.06009	1.1
125.09639	1.4
129.07002	2.5
131.08560	4.4
133.10115	14.6
135.08023	1.6
135.11674	23.5
135.76395	0.9
137.09627	3.5
137.13226	1.8
139.07529	4.9
139.11137	1.6
140.94943	0.7
143.08527	2.3
145.10130	4.0
147.08037	1.5
147.11678	10.8
149.09602	3.1
149.13245	9.0
151.11148	4.8
153.09087	3.3
153.92252	0.7
154.07704	0.9
157.10123	2.5
159.11671	3.1
161.09612	2.9
161.13219	5.4
163.11134	1.3
163.14806	1.9
165.12651	1.7
167.10655	1.8
171.11699	3.1
171.74249	0.7
173.11789	0.9
173.13295	1.9
175.11177	2.7
175.14783	1.4
177.12755	0.8
177.16275	1.0
179.14250	1.0
181.12259	1.5
185.13295	2.2
189.12694	2.2
189.16348	1.1
191.14288	1.0
193.12212	1.4
195.13721	0.9
199.06364	1.0
199.14844	1.8
203.10736	0.7
203.17931	1.4
207.13809	3.2
217.07455	0.9
217.15909	1.2
217.19470	2.4
221.15283	1.4
227.17952	3.8
230.10887	0.8
234.22610	0.8
235.20493	1.9
245.19051	7.2
263.20041	100.0
263.23492	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	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03936	5.1
55.01844	3.0
55.05500	18.6
57.03407	3.6
57.07066	12.8
67.05498	43.9
69.06715	2.7
69.07062	29.2
71.04984	3.4
79.05486	45.1
81.03419	4.1
81.07048	62.2
83.04970	8.0
83.08595	11.5
85.06519	9.8
91.05046	2.5
91.05482	27.8
93.07034	59.9
94.44342	2.3
95.04963	11.9
95.08599	50.8
97.06520	3.8
97.10163	3.0
98.20743	9.4
104.99269	4.5
105.06358	4.1
105.07018	44.9
107.04927	5.7
107.08588	45.0
109.06519	9.4
109.10139	30.2
117.06974	5.7
119.08574	35.9
121.06528	4.7
121.10133	30.1
123.08037	7.1
123.11700	9.0
129.06981	5.7
131.08540	10.0
133.06459	2.8
133.10115	35.2
135.08083	3.0
135.11703	16.8
135.80406	2.6
137.09592	6.7
143.08513	5.3
145.10112	7.9
147.08069	5.2
147.11679	24.1
149.13240	4.1
151.11145	9.8
157.10168	5.1
159.11674	4.1
161.09778	2.4
161.13220	15.2
163.11137	5.9
171.11592	6.0
172.47487	2.2
175.11130	4.9
175.14784	6.5
179.14320	11.6
203.10579	4.6
203.17982	12.4
207.13824	8.9
217.12292	3.5
217.15881	2.7
221.15317	3.1
227.17996	4.1
235.20526	3.3
245.11703	3.3
245.18999	11.1
263.20026	100.0
263.24057	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	2.0
55.05505	13.5
56.96543	2.5
57.03408	1.2
57.07069	11.5
65.03923	1.9
67.05498	90.6
69.06721	1.2
69.07061	18.6
71.04986	2.1
71.08623	7.6
71.14790	2.6
79.05054	1.4
79.05486	22.3
81.07047	100.0
83.04945	3.0
83.08611	14.3
85.06527	3.5
85.10155	4.0
91.04955	1.6
91.05472	19.4
93.07033	25.0
93.94857	0.8
95.04951	4.0
95.08595	91.9
97.06522	8.0
97.10166	8.6
99.08070	5.2
99.92747	1.0
104.99247	1.7
105.07026	14.8
107.08578	17.0
109.06477	2.7
109.10141	49.9
111.08064	3.8
111.11713	2.1
113.09650	2.2
113.79513	0.9
117.07074	1.0
119.08575	15.8
121.09297	1.5
121.10126	20.6
123.08043	3.5
123.11696	23.8
127.11146	2.2
131.08534	1.5
131.67657	0.9
132.10162	0.9
133.10109	15.6
135.11687	13.8
137.09555	2.5
137.13245	7.7
141.12697	3.5
143.08507	1.0
145.10069	2.0
147.11658	12.1
149.13242	8.9
151.11169	2.2
151.14793	10.2
155.14214	1.9
157.10118	1.1
161.13243	13.4
163.14806	7.2
165.16365	11.4
168.08871	0.8
171.11728	1.1
175.14769	8.6
177.16371	2.4
179.17932	4.9
181.15817	2.0
189.16331	5.4
199.06390	4.1
202.07744	1.1
203.08519	0.9
203.10635	1.2
203.17923	4.0
207.11700	1.5
217.07463	6.6
217.09589	0.9
217.19557	1.6
221.13373	1.5
222.07942	1.3
240.09018	1.6
245.11678	1.1
245.22627	38.7
255.37234	0.9
263.17838	2.3
263.20380	3.7
263.23669	94.8
274.99088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	0.9
55.05254	1.2
55.05505	16.4
57.03421	2.2
57.06816	1.0
57.07071	12.6
58.74858	0.5
65.03938	1.4
67.05495	84.4
69.03417	0.6
69.07059	13.8
70.45610	1.5
71.04974	1.4
71.08623	7.2
76.29417	0.6
79.05485	20.7
79.05951	1.1
81.07044	100.0
82.07387	0.9
83.04965	1.8
83.08610	14.6
85.06531	4.1
85.10188	3.5
91.05469	18.1
93.07033	22.9
94.23149	0.5
95.04964	1.8
95.08592	86.2
96.08943	0.6
97.06525	7.5
97.10161	6.8
98.21127	1.1
99.08070	4.6
104.05515	0.6
105.07019	12.4
107.08582	13.3
109.06511	0.7
109.10139	44.8
111.08071	5.2
111.11707	1.3
113.09630	2.2
118.21155	0.6
119.08561	12.5
119.09338	1.0
121.10128	19.9
123.08073	2.7
123.11686	21.2
127.11149	1.3
133.10117	16.2
135.11665	9.6
137.09608	2.3
137.13245	9.2
139.11147	0.7
141.12723	2.2
145.10130	0.9
147.11661	11.5
149.13228	7.5
151.11256	1.2
151.14784	9.1
155.14307	1.5
161.13228	10.7
163.14804	9.1
165.12711	1.0
165.16374	9.8
175.14784	8.4
177.16328	2.6
179.17943	5.4
181.15891	0.9
189.16345	3.7
203.17920	1.5
205.19632	0.7
217.19534	1.3
245.22615	40.2
263.23669	89.1
264.23978	1.2
265.01053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01851	6.6
55.05492	13.2
65.03938	5.1
67.05492	23.4
69.03131	3.3
69.03432	41.7
69.07058	5.0
70.86341	8.8
71.04978	6.9
72.35535	3.2
79.05483	26.2
81.07058	17.8
81.07472	3.2
83.04967	12.9
85.06530	4.1
91.05479	47.5
93.03392	7.0
93.07039	42.8
95.04961	48.2
95.08595	24.1
97.06484	7.1
99.04436	10.4
99.16302	3.4
103.05461	5.7
105.07020	69.5
107.04958	4.7
107.08595	15.9
109.06518	35.8
109.10130	9.0
111.04437	32.2
111.08074	13.8
113.06012	24.0
115.05440	6.7
116.06232	5.5
117.06998	22.9
119.04948	3.3
119.08575	79.2
121.02860	8.0
121.06503	44.4
121.10156	17.5
123.08075	24.8
128.06209	9.3
129.06993	15.9
130.07741	5.5
131.08549	44.9
132.05699	3.3
133.06473	11.6
133.10118	20.3
135.08043	80.4
137.09642	18.3
139.03905	12.4
139.07495	7.9
141.06963	10.6
142.07750	13.9
143.08601	16.0
144.09314	6.7
145.06467	14.6
145.10141	32.4
146.07237	4.8
147.04387	19.4
147.08046	47.2
147.11682	14.2
149.05971	5.0
149.09596	13.2
151.07507	6.8
153.06947	5.4
153.09129	6.2
155.08524	9.4
156.09337	8.8
157.06567	3.8
157.10094	21.4
158.07263	20.9
158.10857	4.4
159.08032	44.6
159.11673	42.7
160.08669	7.4
161.09621	42.8
161.13206	4.2
163.07483	4.6
165.09090	36.4
168.09311	7.2
169.10201	5.2
171.08020	8.2
171.11687	5.4
172.08820	24.1
173.09613	20.9
173.13220	24.2
175.07539	68.8
175.11163	38.6
177.05440	6.7
177.12675	3.5
183.11682	15.4
185.09583	10.0
185.13246	3.9
186.10410	4.6
187.11145	50.3
189.09059	10.9
189.12759	19.1
193.08577	31.1
193.10207	6.0
196.08798	9.1
199.11092	18.6
201.12746	41.1
203.10661	60.6
205.12187	7.8
207.10083	3.6
211.11128	25.1
217.05531	3.4
217.12234	29.0
219.13789	12.2
229.12292	35.2
233.48611	3.3
235.13274	13.0
247.13280	74.1
265.07071	6.7
265.14288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03944	6.1
55.01855	13.4
55.05505	13.6
56.96569	6.7
65.03923	10.4
67.05489	33.1
69.03414	27.3
69.07066	13.7
70.06573	7.6
71.04991	12.7
71.28040	8.8
72.08146	6.3
74.97649	5.3
79.05482	24.4
81.03363	4.8
81.07049	26.9
83.04987	14.1
84.08143	5.9
86.09693	5.5
88.70517	4.8
90.81928	4.6
91.05466	61.2
93.03388	7.8
93.07043	50.2
95.04956	51.9
95.08589	35.1
97.02911	5.0
97.06557	10.7
99.04465	9.4
105.03418	12.6
105.07020	79.2
107.04930	8.3
107.08591	31.1
109.02905	7.0
109.06522	31.1
109.10153	9.2
111.04403	35.5
111.08113	7.1
113.06006	18.3
117.07014	22.4
119.04927	18.1
119.08566	100.0
120.08105	25.1
121.02853	13.8
121.06505	47.7
121.10142	18.0
122.07188	8.8
123.08076	21.9
128.06207	13.8
129.06982	23.5
131.08554	51.8
133.06477	12.0
133.10120	29.0
135.08043	87.1
137.09598	18.1
139.03836	8.1
139.07520	10.1
139.12193	5.6
141.06987	5.8
142.07716	10.9
143.08540	23.3
144.09355	11.6
145.06506	18.5
145.10112	33.3
147.04390	51.3
147.08035	53.9
147.11674	19.7
149.09596	12.8
151.07466	5.0
153.09111	7.4
155.08565	17.9
156.09308	5.2
157.10159	29.4
158.07291	19.6
159.08047	38.8
159.11673	56.5
161.09599	51.9
161.13185	10.0
162.09061	6.7
163.07549	6.2
165.09116	39.3
166.07776	6.2
168.09329	11.9
169.10086	9.3
171.07999	11.8
171.11702	12.7
172.08871	20.9
173.09650	22.5
173.13255	27.3
175.07533	74.8
175.11148	42.1
177.09090	6.6
183.11710	20.2
185.09657	11.9
185.13176	6.2
186.10310	5.1
187.11179	58.6
189.09093	15.4
189.11226	4.6
189.12711	24.1
193.08528	26.5
196.08939	6.8
199.11232	14.2
201.12732	43.9
203.10625	60.8
205.12251	9.5
207.10168	6.7
211.11214	21.5
211.19720	5.1
217.12201	25.4
219.13853	18.8
229.12224	48.8
247.13206	69.9
265.07083	7.5
265.14395	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.01852	1.2
55.05506	10.6
57.03409	1.3
57.07061	1.6
64.08881	1.1
65.03931	2.0
66.29215	0.9
67.05498	99.8
69.07061	11.6
71.04967	1.4
71.22501	2.6
77.62052	1.0
79.05479	12.3
81.07047	100.0
82.62146	1.2
83.04990	1.6
83.08606	4.1
85.06547	3.0
85.10198	1.2
91.05439	5.6
93.07029	13.5
95.04946	3.0
95.08597	86.8
97.06526	2.5
97.10165	3.2
97.58525	1.1
99.04433	1.3
105.07015	6.6
107.08578	10.5
109.10146	69.5
111.08066	1.5
116.77699	1.1
117.06993	2.3
119.08562	5.1
121.06495	1.4
121.10128	7.2
123.08073	1.8
123.10793	1.9
123.11697	34.3
125.09671	1.9
129.06956	1.2
131.08574	6.8
133.10115	5.0
135.07988	2.2
135.11655	4.4
137.09552	1.5
137.13255	8.2
143.08525	1.4
145.10097	4.6
147.11665	5.4
149.09601	1.7
149.13257	3.1
151.11214	1.7
151.14743	1.5
157.10161	2.9
159.11694	5.8
161.09621	1.6
161.13322	1.4
163.11139	2.0
163.14758	1.6
165.12727	1.2
171.08017	1.5
171.11652	1.3
173.13249	4.7
177.12682	1.9
181.12187	2.3
185.13275	2.1
187.11110	1.3
187.14798	1.4
189.09123	1.7
189.12883	1.2
191.14256	1.3
195.13797	3.7
201.12798	2.1
203.14359	1.8
209.15450	3.4
221.00455	1.0
223.16873	2.2
229.12299	2.4
229.19475	2.6
231.13751	3.1
247.13329	1.7
247.20641	5.2
248.43785	1.0
249.15031	1.8
265.11966	1.4
265.14276	1.9
265.21619	74.9
266.21844	1.2
277.84467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2158
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.17128	0.8
53.03922	1.0
55.05504	10.6
57.07062	1.7
57.86343	1.0
65.03936	2.1
67.05497	100.0
69.06772	0.8
69.07062	9.9
69.94022	0.8
70.38990	0.9
70.39331	2.9
71.04987	1.0
79.05483	12.4
81.07048	96.9
83.04974	1.0
83.08601	3.8
83.48024	1.0
85.06518	3.5
91.05451	3.4
92.98627	0.8
93.07031	11.5
95.04935	1.6
95.08595	86.8
97.06521	2.0
97.10165	2.3
98.20906	2.0
102.53989	0.9
105.07008	4.6
107.08572	9.7
109.06553	1.4
109.10143	69.1
111.08091	0.9
117.06993	2.2
117.16640	0.8
119.08566	3.8
121.06491	0.8
121.10123	6.7
123.08030	1.6
123.10793	1.6
123.11693	28.2
125.05982	1.0
127.07568	1.4
131.08533	4.2
133.10124	4.3
135.08046	1.8
135.11708	4.7
137.09586	2.4
137.13249	7.1
143.08548	1.7
145.10081	2.7
147.11649	3.6
149.09555	2.0
149.13249	3.8
151.11156	2.0
151.14838	1.5
157.10023	0.8
159.11662	3.2
161.13255	0.9
163.11119	1.7
163.14847	2.2
167.10660	1.2
171.11627	1.1
173.13258	3.7
177.12686	1.6
181.12100	1.2
185.13300	1.6
187.14771	2.0
195.13818	2.2
201.12758	1.1
203.14268	1.1
209.15364	3.7
223.16820	1.5
229.19533	2.5
231.13744	2.0
247.20552	5.4
265.21603	68.7
266.22003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
52.75298	1.0
55.05507	7.4
56.75304	1.0
56.96550	1.5
57.07063	3.6
65.03947	2.5
67.05499	100.0
69.07057	8.8
71.04977	2.8
71.63678	1.8
79.05475	10.5
81.07049	90.7
82.07394	1.5
83.08619	4.1
83.38187	1.1
85.06536	2.3
91.05465	5.2
93.07034	11.5
95.04995	2.0
95.08598	71.4
97.06507	2.2
97.10159	2.3
105.07011	6.7
107.04916	1.2
107.08609	9.3
109.06531	1.2
109.10146	50.5
117.07015	3.9
119.08549	6.7
121.10120	6.4
123.08009	1.4
123.11691	27.5
123.12561	2.0
128.06133	1.7
129.07030	2.2
131.08549	5.4
133.10139	4.6
135.08043	1.6
135.11700	4.4
137.06001	1.4
137.09570	2.4
137.13228	6.5
143.08577	4.8
145.06482	1.3
145.10123	7.3
147.07990	1.7
147.11699	3.3
149.09642	2.3
149.13257	4.1
155.08490	1.4
157.10130	3.8
159.08072	2.0
159.11676	4.8
161.09557	2.8
161.13261	1.1
163.11223	1.8
163.14795	2.3
165.12798	2.1
167.10626	1.5
169.10301	1.0
173.09618	1.4
173.13260	4.8
175.07466	1.5
177.12781	3.6
181.12267	1.9
183.11848	1.2
185.13210	4.8
187.11159	2.2
187.14767	2.5
189.09088	1.1
189.12709	3.0
191.14362	1.1
195.13869	3.0
201.12772	2.8
203.14272	2.5
209.15364	2.6
219.13876	1.8
221.13559	1.1
229.12225	1.4
229.19533	3.8
231.13701	8.0
247.13202	2.3
247.20589	4.2
249.09213	2.2
249.14862	2.8
250.09869	1.4
265.12061	1.4
265.14362	2.8
265.18597	1.8
265.21625	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	266.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.2
58.94062	0.1
68.65251	0.1
70.48930	0.3
82.99893	0.2
98.97575	0.3
101.00867	0.9
116.98637	0.4
119.01911	7.7
122.97841	0.2
123.39970	0.1
127.85946	0.1
134.99887	0.5
137.02951	2.8
140.98766	0.2
142.03482	0.2
151.90515	0.1
153.00951	0.4
158.99887	0.5
165.99625	0.2
175.03040	0.2
177.00940	16.9
178.01053	0.5
182.99886	0.5
193.04051	0.4
195.02028	0.4
200.02567	0.3
201.00868	0.8
217.04065	2.4
219.01993	21.4
220.02124	1.3
221.02324	0.2
225.00851	2.2
231.13692	0.1
242.03642	0.6
243.01953	6.3
255.69333	0.1
260.04486	0.1
261.03040	100.0
262.03189	2.5
263.03458	0.4
266.03375	0.3
266.06085	0.2
275.04395	0.2
284.04651	3.7
285.04642	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	266.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.9
56.96531	0.6
57.03425	0.5
59.04996	0.6
61.02929	1.1
64.48139	0.3
67.05487	0.6
69.59283	1.4
69.59711	1.3
71.04977	1.7
72.08120	0.3
74.25564	0.3
74.65446	0.3
75.86231	0.3
79.05480	1.6
81.03413	0.8
81.07050	4.9
85.02905	1.2
86.09677	0.4
91.05473	1.7
93.07046	1.0
93.60754	0.4
94.04059	0.6
95.08587	0.8
98.20738	0.8
98.21342	0.9
105.07027	1.3
109.02873	1.6
109.48826	0.4
116.98580	0.4
117.06999	1.3
118.06525	1.2
119.03528	1.6
119.04872	0.6
119.08559	1.3
129.06990	0.8
130.07742	0.5
131.08508	1.0
133.10120	0.8
135.04416	0.4
136.06172	100.0
137.04575	2.2
143.08542	1.8
145.10138	2.0
147.08032	0.6
147.11731	0.5
147.17899	0.4
157.10127	1.5
159.11658	1.6
161.09639	0.7
161.13281	0.5
171.08035	0.5
171.11644	0.8
173.09586	1.0
175.07579	1.1
175.11180	0.6
185.13213	3.5
187.11159	0.4
189.12724	2.8
195.11766	0.8
203.10684	0.9
203.14296	2.3
213.12727	1.1
217.10986	0.4
231.13783	7.6
234.13466	20.8
249.14850	2.7
266.16077	56.7
267.16174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03925	6.0
55.01854	8.1
55.05503	23.3
57.03428	42.6
65.03907	3.7
67.05495	72.1
69.03413	6.7
69.06773	1.8
69.07057	20.9
70.20109	8.7
71.04965	6.5
71.14182	2.1
79.05482	80.3
81.03403	34.8
81.07047	73.6
83.04965	56.2
83.08603	12.2
85.02900	2.5
85.06513	7.7
91.05469	100.0
93.06475	2.5
93.07031	49.7
95.04951	26.9
95.08598	34.0
97.02831	2.5
97.06531	10.3
99.04454	1.9
99.08069	5.1
103.03932	2.6
103.05445	2.3
105.03392	3.4
105.07014	69.7
107.04937	16.1
107.08585	18.3
109.02874	3.1
109.06522	14.0
109.10136	9.4
111.04453	3.4
111.08039	5.6
113.05965	2.2
115.05432	3.1
117.06973	7.6
118.37977	1.7
119.08562	41.0
121.06483	2.5
121.10124	12.8
123.08047	4.4
123.11694	3.6
127.07532	3.5
128.06238	2.2
129.06992	20.9
131.08553	24.0
133.06461	3.8
133.10110	58.7
134.10365	2.0
135.11653	3.4
137.05927	2.5
142.07742	7.0
143.08493	3.6
145.10133	10.4
147.07990	8.0
147.11670	28.4
149.09598	6.4
151.11090	2.2
156.09349	2.3
157.10100	30.7
159.11681	4.3
163.11127	6.2
165.08981	1.8
165.12798	3.7
171.11627	5.5
175.09740	2.4
175.11176	21.7
185.13200	5.6
186.13618	3.7
189.12738	4.2
190.13174	2.4
191.08414	2.6
192.08838	12.6
193.12199	19.4
203.14293	6.0
204.08910	2.3
213.12723	2.3
220.08327	9.8
231.13736	15.9
232.14078	6.2
249.14693	3.2
250.05313	2.4
250.09424	48.4
250.15051	2.8
267.09656	3.6
267.15854	64.4
267.20880	7.9
285.10077	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	267.1587
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03933	4.0
55.01854	2.3
55.05510	6.8
57.03177	1.4
57.03432	20.0
63.16819	0.9
67.05500	11.4
69.03423	2.2
69.07047	3.2
69.26274	1.1
70.14351	3.3
71.04979	2.4
79.05484	10.0
81.03410	100.0
81.07052	13.0
82.18236	1.0
83.04951	4.5
83.08615	13.3
85.02869	1.2
91.05471	14.3
93.07046	6.3
95.04959	21.1
95.08617	5.7
97.02877	1.8
97.06511	1.1
97.10152	1.8
98.98438	1.7
99.04422	1.5
105.07020	13.5
107.04934	4.3
107.08570	3.4
109.06503	2.9
109.10175	1.6
111.04427	1.4
111.08081	6.9
117.06966	1.3
119.08575	12.2
121.06449	1.6
121.10140	5.7
123.08013	2.1
126.96140	1.3
129.06978	7.1
131.08557	6.8
133.06471	2.3
133.10092	3.5
142.07745	2.0
145.10104	2.4
147.08026	3.0
147.11661	7.5
149.09583	3.8
157.10130	10.3
165.12755	2.5
175.11163	8.9
190.82999	1.1
193.12221	23.5
211.13293	2.7
231.13814	1.4
232.13918	1.5
249.14925	1.5
267.15869	72.0
288.76099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03931	3.6
53.28785	0.8
55.01856	2.0
55.05505	7.8
56.96547	1.4
57.03432	20.8
60.52645	0.8
61.17389	0.8
65.03912	1.5
67.05169	0.9
67.05501	14.5
69.03409	4.0
69.07053	5.8
71.04973	3.5
71.61356	0.9
71.61740	1.1
79.05482	18.1
81.03410	100.0
81.07048	21.8
81.41892	0.8
83.04979	7.1
83.08131	1.3
83.08607	15.7
83.76757	0.8
85.06523	2.5
91.05470	21.2
93.07034	14.7
95.04955	22.3
95.08595	10.5
97.02863	2.4
97.06502	3.4
97.10143	1.7
98.97565	1.7
99.04388	0.9
99.08064	1.7
105.07016	21.1
107.04958	4.2
107.08578	8.1
109.02872	1.9
109.06528	5.6
109.10136	4.0
111.04449	1.9
111.08075	8.1
115.05468	2.4
116.98568	1.6
117.06997	3.3
119.04883	1.1
119.08567	15.6
121.06473	2.6
121.10126	9.6
123.08069	2.6
123.11662	1.3
127.07542	1.4
128.06136	1.2
129.06963	7.7
131.08553	9.8
133.06451	4.0
133.10109	8.0
135.08000	1.3
135.11693	1.1
137.09579	2.7
141.07011	1.0
142.07785	2.5
143.08522	2.3
145.10103	5.3
146.10419	1.2
147.07967	3.6
147.11676	12.8
149.09647	5.7
151.07480	1.1
157.10120	11.6
158.10406	1.5
158.99612	1.3
159.08067	1.3
159.11673	1.2
161.06009	1.5
161.09598	0.9
163.03944	1.1
163.07634	1.2
163.11261	1.2
165.12732	3.9
167.10704	1.3
171.11607	1.1
173.09631	1.0
175.07428	1.2
175.11171	9.6
177.00688	1.4
178.06252	3.2
185.13220	5.5
186.13640	1.6
189.09084	0.9
190.13153	1.4
191.08525	0.9
193.08565	3.0
193.12242	21.0
203.14282	4.4
205.39845	1.0
211.13229	5.0
213.12704	1.5
219.07936	1.5
221.15494	1.0
231.13766	8.3
231.17314	1.3
232.14154	5.1
243.08797	3.1
249.05594	1.0
249.14821	3.8
250.15103	1.2
251.07239	1.1
251.10719	1.8
265.08807	1.0
267.10370	2.3
267.15884	68.1
283.09821	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	267.1586
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03953	3.4
55.01863	2.2
55.05507	6.8
56.96557	1.1
57.03431	21.5
57.07067	1.0
61.01891	0.7
67.05496	12.5
69.03433	2.8
69.07056	3.3
69.44438	5.3
71.04990	1.6
79.05486	13.5
81.03409	100.0
81.07050	14.0
83.04975	5.8
83.08616	14.4
83.77113	0.5
85.06547	1.3
91.05473	17.4
93.07037	9.8
95.04962	20.7
95.08611	7.3
95.09171	1.0
97.02898	2.3
97.06528	1.9
97.10162	1.6
103.05443	0.6
105.07023	15.7
107.04945	5.1
107.08598	3.8
109.06518	4.4
109.10129	3.5
111.04427	1.9
111.08083	6.3
115.05448	1.5
117.07018	2.5
119.08575	12.0
121.06482	1.6
121.10151	5.3
123.08037	1.2
123.11681	1.2
125.09605	0.9
128.06181	0.9
129.06993	9.0
131.08568	8.6
133.06490	2.4
133.10115	5.6
135.08057	1.2
137.09590	1.6
142.07770	2.3
143.08562	1.4
145.10141	2.9
147.07997	3.2
147.11678	7.4
149.09604	4.5
157.10109	11.0
158.10507	0.6
159.11656	1.4
161.13191	0.8
165.07040	0.8
165.12762	1.8
171.11603	1.1
175.11182	8.1
175.14900	0.7
185.13304	1.4
186.13577	1.5
189.12813	1.0
193.12222	23.3
203.14319	2.2
203.99352	0.6
204.14658	0.8
205.12424	0.9
211.13226	2.8
213.12799	0.9
223.13159	0.8
231.13770	3.7
232.14052	3.4
249.14819	3.0
250.15086	1.2
267.09277	2.0
267.15887	67.4
268.16269	0.8
285.10068	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	267.1586
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.86286	0.8
53.03934	3.3
55.01863	1.9
55.05502	7.2
55.26106	0.7
56.96560	1.5
57.03429	18.9
57.07064	1.5
67.05493	12.7
69.03419	2.5
69.07056	3.6
69.51599	6.6
71.04976	2.1
76.37699	0.7
79.05478	11.4
81.03407	100.0
81.07047	16.5
83.04980	4.8
83.08607	16.2
85.06515	1.6
87.87495	0.7
91.05466	20.4
93.07038	10.0
95.04956	22.1
95.08591	8.1
97.02876	2.6
97.06505	1.3
97.10148	2.2
99.04488	1.7
99.08048	1.1
105.03391	0.8
105.07015	18.1
107.04918	4.6
107.08580	4.5
109.06510	4.6
109.10138	3.0
111.04424	1.0
111.08066	6.1
115.05424	2.4
117.06992	2.0
119.04897	1.2
119.08577	13.3
121.06471	1.6
121.10129	5.9
123.08065	2.4
123.11712	1.5
128.06194	1.0
129.06998	8.0
131.08539	7.2
133.06490	3.0
133.10124	6.2
135.11650	1.2
137.09613	2.1
141.07027	0.9
142.07733	1.8
143.08574	2.4
144.08910	0.9
145.10129	3.8
146.10497	1.5
147.08023	3.8
147.11659	8.3
149.09604	4.7
151.07486	1.1
155.08652	1.0
156.77136	0.7
157.06508	0.8
157.10103	9.5
158.10434	1.0
159.11685	2.1
161.09659	1.2
163.11154	1.3
165.12727	2.3
169.09962	1.0
173.09549	0.9
175.07430	0.9
175.11163	11.0
175.14706	0.8
185.13280	2.9
186.13589	1.8
190.13060	1.7
193.12221	21.3
195.11713	1.3
196.11990	1.0
203.14299	3.2
204.10902	1.2
211.13242	2.1
213.12650	1.2
231.13803	7.9
232.14093	3.6
249.14801	3.7
250.15257	1.7
258.64941	0.8
267.09592	2.0
267.15878	72.4
285.10046	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	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
52.73265	2.8
55.01851	6.4
55.05493	16.2
56.96547	9.7
57.03432	21.1
57.07063	4.8
61.02922	18.1
65.03940	3.2
66.59056	2.5
67.05492	32.1
69.03416	30.6
69.07040	17.9
70.18463	14.2
71.04963	10.5
72.08133	10.9
73.02905	7.0
79.05486	35.6
81.03401	53.5
81.07048	62.3
83.04967	17.8
83.08589	12.5
85.02877	18.1
85.06509	5.4
87.04459	14.9
91.03963	15.4
91.05466	44.8
93.07031	66.7
95.04962	31.8
95.08595	33.0
97.02877	20.4
97.06506	10.8
98.97569	3.9
98.98447	4.0
99.04444	6.1
99.08045	4.4
103.05474	5.4
105.07012	81.2
107.04934	11.9
107.08575	41.8
109.02859	9.0
109.06491	15.8
109.10144	26.2
111.04426	9.8
111.08072	8.5
115.00704	3.4
115.03907	12.7
115.05432	6.9
117.06976	15.0
119.08561	45.1
120.08073	5.2
120.08916	4.7
121.06476	9.8
121.10125	79.5
121.10995	4.3
123.08042	11.4
123.11662	11.4
125.05970	4.8
127.03923	3.7
128.06181	7.2
129.06990	19.8
131.04866	3.0
131.08545	27.0
133.01726	8.7
133.04910	8.1
133.06441	7.0
133.10092	41.9
135.08031	10.9
135.11688	30.6
137.05972	4.6
137.09593	9.3
141.06932	4.7
142.07765	9.1
143.08504	19.3
144.05730	4.7
145.06450	6.3
145.10114	26.9
147.08018	9.1
147.11665	33.5
149.05914	3.9
149.09528	6.0
149.13240	11.0
151.02782	4.3
151.07547	5.0
151.11148	5.6
153.06966	3.6
153.09132	3.0
155.03377	3.3
156.09270	3.9
157.06476	4.5
157.10124	16.9
158.10759	3.6
159.06668	3.0
159.08028	17.2
159.11678	23.0
161.05928	4.6
161.09602	12.7
163.07510	5.2
163.11147	7.1
165.12791	6.0
171.07945	5.6
171.11699	4.8
175.07475	5.1
175.11166	18.6
177.12738	36.9
179.10677	4.6
185.13168	16.7
186.13564	6.0
187.07515	8.8
189.09074	8.5
189.12712	7.3
191.10651	3.3
193.08641	6.7
193.12254	17.0
195.11688	6.5
201.12692	5.0
203.14267	17.2
204.07906	4.1
213.12708	8.9
219.10172	8.6
219.13791	11.7
231.07813	4.0
231.10219	5.0
231.13777	42.2
232.14101	12.1
237.11119	3.6
249.11182	69.1
249.14764	25.8
249.18370	6.6
250.14876	3.3
267.15872	100.0
267.18896	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01871	0.2
57.03431	0.4
61.10989	0.1
69.03420	0.3
71.12955	0.3
73.02899	0.1
85.02894	0.4
86.18139	0.1
94.04038	0.3
119.03503	0.5
119.50860	0.1
136.06171	100.0
137.04539	0.4
137.06621	0.7
142.87679	0.2
268.10379	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	269.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.0
55.05501	22.9
56.96554	10.5
57.03424	17.1
57.07061	19.6
67.05499	51.5
67.56159	5.5
69.03407	25.4
69.07069	44.7
70.96338	7.5
70.96671	14.1
71.04986	22.4
71.08607	6.0
73.02901	10.1
79.05489	61.3
79.89326	6.1
81.03410	7.2
81.07044	95.6
83.04967	36.2
83.08614	12.3
85.06504	12.0
91.05463	47.7
92.60023	6.0
93.07037	92.9
95.04966	36.2
95.08597	59.9
97.02879	20.4
97.06515	45.9
97.10155	8.9
98.97549	9.1
99.04468	14.0
99.08068	7.1
101.40385	7.2
105.07024	78.7
107.04955	20.4
107.08585	54.3
109.06525	32.8
109.10155	30.0
111.08042	9.7
116.98577	7.6
117.07002	18.5
119.04935	15.5
119.08563	37.2
121.06493	43.6
121.10124	26.3
123.08026	7.0
123.11703	11.6
125.05968	31.1
127.07561	6.1
129.06993	8.4
130.07762	10.6
131.08562	20.9
133.06511	8.8
133.10101	19.4
135.08051	16.5
135.11662	38.6
137.05974	23.8
139.07515	9.1
139.11140	5.5
143.07048	18.0
143.08543	7.9
145.06473	13.1
145.10098	87.9
146.99660	8.2
147.08026	6.1
147.11664	14.0
149.05940	7.7
149.13232	15.1
151.07542	9.2
154.07751	8.9
157.10123	9.6
158.07278	10.9
159.08083	15.6
159.11668	49.5
161.13199	9.5
163.11166	100.0
169.08760	7.5
169.10054	9.4
173.09552	50.4
173.13342	6.4
177.12791	13.3
179.08636	6.7
181.06499	10.6
181.12201	39.2
187.11189	56.9
189.12775	7.3
191.10698	30.8
197.09711	23.8
205.12270	29.0
209.11710	14.3
213.05574	8.6
213.07440	13.3
215.10663	74.0
215.18007	7.4
227.12773	24.4
233.11749	51.9
237.08900	7.4
249.06862	9.1
251.12753	32.2
251.20068	15.4
258.07516	20.4
269.04352	21.6
269.08121	20.3
269.14032	10.5
269.17334	13.9
269.58502	6.9
270.08862	7.1
282.42307	5.9
287.10251	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	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01871	8.9
55.05501	22.2
57.03427	8.6
57.07048	10.9
67.05500	40.1
69.03409	14.3
69.07059	34.5
70.86524	7.2
71.04967	12.0
79.05489	43.6
81.07048	64.0
83.04985	25.9
83.08597	10.1
85.02914	6.7
85.06530	10.1
91.05461	34.2
93.07034	63.6
95.04932	27.0
95.08578	42.8
96.62847	4.3
97.02861	16.6
97.06523	39.7
97.10141	5.1
98.21278	5.3
99.04444	12.7
100.11197	5.2
105.07014	53.9
107.04957	21.7
107.08580	50.0
109.06511	26.1
109.10165	23.0
111.04401	5.1
111.08050	11.1
113.06042	7.0
114.33929	4.6
116.98626	7.2
117.06973	12.2
119.04910	11.0
119.08594	21.5
121.06471	40.3
121.10128	14.3
123.11670	10.1
125.06007	33.2
127.07441	5.9
129.07016	5.8
130.07661	4.0
131.08571	21.6
133.06453	12.2
133.10089	11.7
135.08044	20.6
135.11653	21.7
137.05957	17.9
137.13190	5.1
139.07512	11.1
143.06985	13.8
143.08524	12.5
144.09314	5.7
145.06438	13.8
145.10124	72.6
147.11661	20.4
149.09586	5.8
149.13264	10.0
151.07489	10.4
153.12654	5.4
157.10027	5.0
159.08014	11.0
159.11664	39.4
161.09613	6.1
163.07487	5.4
163.11160	100.0
169.08705	4.7
169.10077	8.6
172.08878	4.3
173.09596	53.7
173.13423	7.1
177.12788	12.3
179.08545	7.6
181.12204	29.4
187.11159	54.0
191.10695	31.4
192.05350	5.1
194.07202	5.5
197.09592	19.4
205.12257	27.6
209.11630	11.4
213.05525	6.7
213.07431	8.7
215.10657	53.6
215.17917	9.9
224.03366	6.0
226.06287	4.8
227.12636	17.1
233.11708	41.2
233.15266	5.3
233.18939	6.4
241.08421	7.6
249.07002	11.0
251.12672	34.1
251.20113	10.6
258.07523	16.2
269.04401	16.9
269.08163	16.4
269.11349	8.7
269.19278	8.7
269.22089	4.6
269.58206	6.8
270.08691	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.3
55.01864	3.3
55.05512	18.5
57.03433	41.0
57.07082	7.3
61.94461	1.2
64.23899	1.2
65.03915	1.8
66.59294	1.4
67.05499	71.2
69.03439	1.4
69.07062	38.5
69.44228	12.7
71.01353	1.8
71.04990	8.4
73.02928	1.5
79.05488	44.9
81.03396	2.0
81.07050	100.0
83.04974	10.9
83.08623	18.6
85.06551	6.2
91.05470	20.8
93.07036	76.2
95.04957	7.7
95.08596	30.3
95.09153	2.5
97.06514	15.3
97.10165	3.6
98.21483	1.5
98.97573	1.8
99.04514	1.5
99.08093	4.0
105.07023	10.3
107.08582	42.1
109.06504	3.1
109.10151	6.3
111.08062	8.7
113.09628	2.6
117.07005	10.1
119.08575	6.0
121.10132	28.2
123.11684	3.9
125.09651	1.9
131.08577	14.3
133.10100	11.1
134.52438	1.3
135.08040	3.1
135.11685	13.1
139.11165	4.2
143.08585	2.3
145.10127	3.7
147.11717	4.0
149.13243	65.7
155.08508	1.7
157.10094	5.0
159.11670	25.7
161.13303	2.4
169.10094	2.1
173.13297	2.6
177.12756	10.4
179.08607	1.5
181.10048	2.5
183.11548	1.5
185.13396	1.5
195.11955	2.4
195.13777	18.2
196.68747	1.7
199.14740	1.6
209.09697	2.3
209.13239	2.5
223.14868	5.5
237.08994	3.2
251.20084	2.2
269.12051	3.2
269.15207	9.9
269.17520	65.4
269.22568	8.2
269.54956	1.2
270.17886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	3.4
55.01847	3.5
55.05259	1.5
55.05508	19.5
57.03431	36.2
57.07050	4.2
65.03934	2.8
67.05498	72.7
68.05825	1.4
69.06715	2.0
69.07062	32.2
70.15351	4.5
71.04970	5.1
76.03388	1.1
77.10360	1.1
79.05487	42.9
81.03413	2.3
81.07049	100.0
83.04965	8.2
83.08611	17.5
85.06542	5.6
91.05469	20.2
93.07035	71.2
93.07518	0.8
95.04960	8.0
95.08041	2.2
95.08598	27.3
97.06525	15.5
97.10161	2.4
98.20957	2.4
99.04439	1.4
99.08086	5.3
105.07024	7.9
107.08584	35.3
109.06497	4.5
109.10156	4.1
111.08075	8.3
112.73893	1.2
113.09565	1.8
116.70191	1.2
117.07016	8.9
119.08591	1.9
121.06467	1.6
121.10142	24.0
123.11679	1.5
127.07522	1.8
131.08536	12.1
133.10136	8.2
135.08055	2.6
135.11667	11.8
139.11179	2.6
147.11642	1.8
149.09666	2.2
149.13242	61.8
150.13553	1.5
151.11176	1.3
157.10164	1.4
159.11670	21.8
167.14156	1.4
177.12709	12.9
195.12233	1.2
195.13823	16.7
269.17450	73.6
270.17770	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03924	3.1
55.01841	5.2
55.05256	1.7
55.05500	21.6
57.03428	36.9
57.07044	6.9
67.05494	79.1
67.17181	1.9
69.03406	2.4
69.06711	2.6
69.07056	33.4
69.55169	11.2
71.04958	6.9
71.08587	2.0
71.58766	1.4
79.05051	2.7
79.05480	44.8
81.07042	100.0
83.04971	11.7
83.08600	22.6
85.06524	7.7
91.05469	21.5
93.07028	76.9
95.04964	8.8
95.08586	30.2
97.06509	19.3
97.10132	3.9
98.21428	3.6
99.04471	2.3
99.08057	6.0
105.07008	12.9
107.08580	40.9
109.06454	4.2
109.10117	6.2
111.08031	8.2
111.11700	2.7
111.78601	1.6
117.06998	9.8
119.08518	5.4
121.06448	3.1
121.10131	21.9
123.11655	3.6
131.08510	10.3
131.90073	1.6
133.10121	13.5
135.08020	3.1
135.11650	15.8
139.11102	2.5
145.10059	2.9
147.11679	2.5
149.13226	55.3
151.11180	3.1
157.10158	1.7
159.11684	22.0
177.12752	11.9
195.13768	20.8
233.18962	2.0
251.19975	2.7
269.17404	82.3
269.22287	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01846	4.1
55.05508	24.4
56.96536	4.6
57.03429	36.2
57.07067	10.5
65.03929	2.2
67.05497	76.4
68.14793	1.9
69.03413	3.1
69.07056	28.9
71.04961	5.2
71.08598	2.2
72.42158	2.0
79.05051	3.1
79.05479	41.1
81.07047	100.0
83.04974	14.1
83.08611	19.0
85.06513	4.7
87.94321	1.8
91.05463	24.9
91.81300	1.8
92.97246	1.7
93.07033	64.2
94.49142	1.9
95.04938	7.9
95.08597	31.3
97.06522	15.2
97.10110	2.3
98.21223	11.3
99.08067	3.7
105.07005	9.9
107.04924	2.3
107.08582	37.1
109.06517	4.7
109.10135	4.2
111.08079	9.2
117.07017	10.9
119.08517	7.2
121.06429	2.5
121.10127	24.7
123.08095	2.1
123.11645	6.1
125.09547	2.5
131.08563	13.6
133.10092	8.8
135.11646	8.5
145.10045	2.5
147.11646	3.5
149.13242	41.5
157.09999	3.0
159.11681	21.6
168.37202	1.9
177.12703	13.0
185.13124	3.0
195.12019	3.3
195.13742	17.2
215.18181	2.1
219.96448	2.0
251.19997	7.4
269.17377	73.0
270.17914	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	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	2.4
55.01857	2.1
55.05259	1.5
55.05506	20.5
57.03428	33.1
57.07061	3.7
65.03922	1.2
67.05496	80.4
69.03400	0.9
69.07058	28.9
69.39211	0.8
69.88667	4.5
69.89080	1.8
71.04975	5.4
71.08618	1.9
78.97909	0.8
79.05486	40.9
79.89220	0.8
81.03406	2.6
81.07047	100.0
82.07400	1.0
83.04971	9.8
83.08138	1.3
83.08611	20.1
85.06536	5.1
91.05468	23.7
93.07033	69.2
94.07351	1.9
95.04970	7.7
95.08596	26.6
97.06522	17.1
97.10147	3.1
98.20823	1.8
98.21368	1.9
99.08087	5.1
99.60968	0.8
105.07030	8.7
107.04917	1.6
107.08582	34.4
109.06480	4.0
109.10152	6.3
111.08078	8.6
113.09602	1.0
117.07004	10.7
119.08548	3.6
120.07936	0.8
121.06510	2.2
121.09212	1.1
121.10121	19.7
123.08080	1.1
123.11677	3.3
125.09616	1.6
127.07487	1.1
131.08551	14.2
133.10120	14.3
135.08049	3.1
135.11693	11.7
139.07504	1.0
139.11122	2.5
145.10115	1.4
147.11717	1.3
148.85713	0.9
149.13245	48.1
151.11128	3.0
153.09097	1.2
157.10130	1.2
159.11671	28.3
160.11935	0.9
161.13216	2.7
167.14337	1.1
177.12735	14.9
179.14227	2.7
195.13766	18.2
196.14076	0.9
213.14825	1.5
251.16266	1.1
269.17422	86.4
269.22495	3.3
270.17807	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03929	2.2
55.01857	3.4
55.05499	20.8
57.03177	2.5
57.03429	32.1
57.07059	4.7
65.12894	1.6
65.78032	1.7
67.05497	72.2
69.07063	26.3
69.44702	14.2
70.26675	1.6
71.04973	7.1
71.08621	2.4
79.05054	2.5
79.05482	39.1
81.03400	2.2
81.07045	100.0
83.04953	8.8
83.08620	21.3
85.06519	6.8
91.05462	22.2
93.07033	71.7
95.04961	9.8
95.08597	26.6
97.06522	18.2
97.10134	1.6
99.08075	5.3
105.07029	11.9
107.08582	36.5
109.06470	3.2
109.10142	5.3
111.08057	10.4
117.07014	10.5
119.08549	3.9
121.06480	2.3
121.10123	20.7
123.11684	3.8
131.08553	13.5
133.09198	2.2
133.10121	17.4
135.08069	3.2
135.11671	13.8
139.11115	3.6
149.09564	1.7
149.13246	46.7
157.10066	3.1
159.11678	30.0
161.13240	2.3
167.14247	3.1
171.31203	1.6
177.12764	14.3
179.17192	1.6
195.13774	21.5
228.09464	1.9
244.52264	1.7
251.16351	1.8
269.17435	79.1
269.22479	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03926	3.1
55.01846	2.8
55.05257	1.1
55.05503	19.5
57.03149	1.6
57.03429	31.9
57.07064	4.0
60.92773	0.7
65.03924	1.9
67.05493	78.0
69.03397	0.9
69.07054	26.9
70.14458	2.9
70.14872	1.5
71.04985	7.0
71.08607	1.8
73.02917	1.3
79.05481	46.7
81.03376	1.9
81.07043	100.0
82.07371	1.0
83.04965	12.0
83.08129	1.5
83.08603	21.3
85.06524	5.3
91.05470	23.1
93.07030	72.2
94.07357	1.9
95.04948	9.8
95.08592	26.8
97.06519	18.2
97.10133	2.8
98.21204	1.3
99.08069	5.1
105.07021	11.6
107.04895	1.0
107.07854	2.0
107.08579	38.8
109.06496	5.3
109.10124	4.3
111.08072	10.7
113.09599	2.3
117.06998	12.1
119.08531	3.6
121.06490	2.1
121.09296	1.5
121.10127	22.7
123.08067	0.9
123.11687	3.8
125.09561	1.5
127.07596	1.3
131.08546	14.8
133.10104	14.0
135.07996	1.6
135.11671	15.3
139.11211	1.4
143.01910	0.8
144.01906	0.9
145.01591	1.3
147.11658	2.0
149.09622	1.1
149.13239	46.2
151.11136	1.9
153.09122	0.9
157.10054	0.9
159.11668	25.3
161.13237	1.8
162.03134	1.5
165.12755	1.1
167.14331	1.4
177.12718	13.0
179.14276	1.7
181.98759	0.9
195.13770	20.1
204.76173	0.9
213.14793	1.8
269.17407	85.1
270.17816	0.9
277.21487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02353	1.4
52.17891	1.1
53.03938	2.1
55.01854	2.9
55.05508	19.6
57.03432	36.0
57.07067	5.8
61.90362	1.2
65.03923	2.4
67.05500	78.4
69.07061	34.4
71.04987	8.1
71.08625	1.5
71.62665	2.1
79.05486	40.0
81.03405	2.9
81.07050	100.0
83.04974	11.9
83.08608	20.9
83.09090	1.3
85.06517	6.6
89.07854	1.1
91.05470	25.5
93.07034	67.3
95.04956	8.0
95.08039	2.1
95.08597	28.9
95.09148	1.0
97.06521	17.0
97.10163	4.0
99.04422	1.5
99.08073	5.4
105.07010	9.4
107.08581	35.7
109.06497	5.7
109.10120	5.2
111.08078	8.2
111.11641	1.3
113.09644	2.1
117.07001	11.2
119.08562	5.2
121.06479	1.4
121.10130	22.8
123.08054	2.2
123.11668	2.6
127.11171	1.4
131.08551	13.9
133.10110	13.2
135.08029	2.3
135.11667	13.3
139.07422	1.2
139.11162	1.6
145.10081	1.7
145.68355	1.1
147.11673	2.3
149.09583	1.6
149.13248	50.7
157.10124	2.6
159.11668	21.5
161.13168	2.1
173.13196	1.5
177.12726	14.1
179.14246	1.5
185.13173	1.8
195.13794	20.4
251.16422	2.2
251.20090	2.9
263.25394	1.4
269.17438	81.9
269.22336	2.2
270.17773	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03929	3.3
55.01854	2.2
55.05502	21.7
57.03431	32.3
57.07053	3.5
67.05495	81.7
69.03404	1.5
69.07059	27.2
69.70534	6.4
71.04994	5.7
77.32722	1.2
79.05485	44.3
81.03393	2.8
81.07047	100.0
83.04971	12.9
83.08148	1.1
83.08611	20.7
85.06548	5.4
91.05468	28.6
93.07031	78.0
95.04944	9.4
95.08595	27.5
97.06512	14.9
97.10134	1.7
98.20769	1.2
99.08083	5.3
105.07014	10.3
107.08581	34.0
109.06484	4.0
109.10165	5.6
110.19656	1.2
111.08079	8.7
112.09035	0.9
113.06001	0.9
116.06154	1.0
117.06998	12.8
119.08604	2.3
121.06477	1.5
121.10130	19.4
123.11665	4.1
125.36321	1.0
131.08549	15.8
133.10118	15.8
135.08005	3.4
135.11678	13.1
139.11172	1.6
145.08012	1.0
147.11679	1.4
149.09592	1.3
149.13243	44.6
151.11179	1.8
157.09984	1.1
159.11673	29.0
161.13206	2.1
161.68684	1.0
167.14279	1.3
175.46236	1.0
177.12738	17.8
179.14258	2.6
195.13771	21.5
213.14868	2.3
241.89108	1.1
250.63193	1.0
251.16301	1.4
269.17438	89.6
270.17783	1.8
271.72327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03919	3.4
55.01854	2.7
55.05253	1.8
55.05499	20.4
57.03432	28.8
57.07046	6.2
60.30935	1.3
63.31364	1.4
65.03907	2.4
67.05497	81.8
69.07058	25.6
69.28902	9.4
69.29330	7.8
71.04992	7.8
71.08601	1.4
78.32156	1.5
79.05486	52.0
81.03381	1.3
81.07047	100.0
82.07412	1.4
83.04964	8.4
83.08601	20.4
85.06495	5.8
91.04966	2.1
91.05476	25.8
93.07035	77.6
95.04961	8.5
95.08594	30.0
97.06519	19.1
97.10135	3.4
99.08055	6.6
105.07021	12.7
107.08577	37.2
108.82482	1.5
109.06470	3.9
109.10159	7.5
111.08056	10.0
111.11705	1.7
113.05997	2.0
117.07005	10.9
119.08537	4.2
121.06496	2.3
121.09311	1.6
121.10136	21.1
123.08065	1.4
123.11688	5.2
125.09622	1.7
129.06975	1.7
131.08543	14.9
133.10092	16.3
135.07991	3.2
135.11670	13.0
139.11153	1.8
145.10097	2.2
147.11636	3.2
149.09570	1.5
149.13243	51.9
151.11125	2.4
157.10075	2.3
159.11668	30.1
161.13240	3.4
167.14276	3.2
173.13251	1.9
177.12750	18.1
179.14284	2.2
185.72588	1.6
187.62935	1.5
195.13802	20.6
218.78477	1.4
251.16396	1.7
269.17404	84.7
269.22290	3.3
270.17697	2.5
279.26822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03904	2.9
55.01865	5.0
55.05510	15.3
56.03571	2.7
57.03431	36.2
57.07071	6.4
67.05164	4.6
67.05499	72.0
69.07063	25.9
69.41077	28.0
71.04977	4.9
71.08613	2.9
79.05491	45.7
81.07049	100.0
83.04964	10.0
83.08623	18.8
85.06528	6.2
91.05492	21.6
93.07036	71.6
93.57055	2.8
95.04963	9.9
95.08593	30.8
97.06528	17.2
97.10159	3.5
98.21577	3.2
99.08097	5.0
105.07027	15.7
107.08572	33.6
109.06533	2.9
109.10204	3.3
111.08072	10.2
117.06992	8.4
119.08553	3.9
121.10133	26.9
131.08543	9.2
133.10103	7.0
135.11667	10.9
139.11211	4.9
147.11696	3.1
149.09598	4.4
149.13249	60.4
159.11674	21.6
177.12735	14.7
195.13770	19.4
269.17456	72.1
269.22232	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	2.3
55.01858	4.7
55.05256	1.6
55.05502	23.2
56.96558	4.8
57.03429	42.2
57.07070	6.0
65.03906	2.6
67.05495	80.4
68.70969	0.9
69.07057	36.2
70.43625	3.0
71.01354	1.2
71.04987	7.7
71.08620	1.3
73.02901	0.9
79.05482	49.5
81.03408	7.1
81.07046	100.0
83.04964	12.4
83.08601	18.4
85.06530	7.4
86.20537	1.0
91.05469	24.3
93.07032	73.3
94.07361	1.2
95.04955	10.6
95.08595	31.5
96.36252	0.9
97.06517	15.4
97.10136	2.2
99.04441	1.5
99.08070	4.7
105.07011	10.7
107.07849	2.1
107.08576	40.8
109.06520	4.3
109.10125	5.4
111.08069	12.5
111.11721	1.4
112.86946	0.9
113.06013	1.1
113.09608	1.0
117.07008	10.3
119.08560	4.2
121.06456	1.2
121.09315	2.1
121.10134	25.9
123.11663	3.5
129.06999	1.9
131.08559	12.0
133.10115	11.8
135.08023	2.5
135.11688	12.1
139.11156	3.2
139.95174	0.9
147.11658	3.5
149.09528	1.5
149.13239	55.1
151.11220	1.9
153.09117	1.4
154.48338	0.9
157.10124	2.6
159.11676	22.7
167.14336	1.2
167.91095	0.9
175.11205	1.8
177.12733	10.7
185.04889	0.9
193.12219	3.7
194.07281	1.2
195.12169	1.5
195.13786	15.8
203.05949	1.4
211.13231	4.5
211.24718	1.0
213.14743	1.5
237.09085	3.5
266.82596	0.9
267.09085	7.0
268.09439	1.3
269.04367	1.1
269.12057	2.8
269.17438	63.4
269.22043	1.5
270.17584	1.3
271.36377	0.8
285.10101	13.8
286.10358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02368	0.7
53.03930	1.8
55.01860	4.1
55.05504	20.0
57.03429	37.4
57.07061	5.5
62.56565	0.7
65.03926	1.7
67.05495	79.4
69.03434	0.7
69.07058	33.1
70.14704	3.5
71.01335	0.7
71.04978	5.6
71.08630	1.0
73.02927	0.9
77.03932	0.8
79.05480	45.2
81.03405	1.9
81.07043	100.0
83.04974	12.4
83.08607	19.6
85.06534	6.9
89.90791	0.8
91.05468	21.0
93.07030	78.5
94.71213	0.7
95.04961	8.7
95.08592	26.3
97.06519	19.1
97.10145	2.1
99.08070	4.3
105.04519	0.8
105.07005	8.8
107.04941	0.9
107.08578	40.5
109.06514	4.0
109.10130	4.8
111.08070	10.8
111.11707	1.5
113.06010	1.1
113.09664	1.2
117.06998	9.8
119.08583	3.5
121.06508	1.2
121.10125	25.7
123.07999	1.0
123.11694	2.2
125.09618	1.2
127.07539	0.9
131.08543	10.7
133.10101	9.3
135.08037	2.5
135.11671	10.9
139.11153	2.6
144.09239	0.8
146.32034	0.7
147.11664	2.2
149.13232	61.7
150.13487	0.8
151.11157	0.8
153.09071	1.2
153.32674	0.6
154.41144	0.7
159.11662	24.4
167.14333	1.4
177.12724	13.2
182.41373	0.8
195.13782	19.1
213.14865	2.7
237.09225	0.7
269.17444	74.8
271.80347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.93660	1.6
53.03940	3.0
55.01852	3.9
55.05502	24.1
56.10616	1.5
56.96537	2.5
57.03428	31.9
57.07050	6.3
59.04971	1.5
64.03478	1.8
65.03917	1.6
67.05497	82.0
68.05803	1.9
69.03410	2.5
69.06718	2.3
69.07059	31.2
69.90684	8.1
71.01334	1.9
71.04993	9.1
71.08621	2.1
77.21284	1.4
77.41206	1.3
79.05063	3.1
79.05484	44.5
81.03397	4.8
81.07045	100.0
83.04967	10.9
83.08215	1.7
83.08620	23.1
84.13326	1.4
85.06541	8.3
91.05458	27.8
91.72514	1.3
93.07033	79.3
95.04953	11.7
95.08589	30.8
97.06519	17.8
97.10113	3.3
98.21426	1.8
98.97520	1.8
99.08066	5.0
105.06503	1.4
105.07025	17.2
107.04958	1.6
107.07861	2.3
107.08576	41.0
109.02911	1.6
109.06479	5.8
109.10136	11.2
111.08082	11.6
113.05968	2.5
116.98584	1.5
117.07021	11.6
119.08587	11.1
121.06464	4.1
121.10136	25.4
123.08083	2.1
123.11681	7.2
125.09594	2.8
131.08562	14.5
133.10121	16.1
135.08017	3.1
135.11674	15.4
139.11140	2.1
143.08533	4.9
145.10074	6.1
147.11655	5.6
149.09612	1.8
149.13246	43.3
151.07555	1.9
151.11140	2.5
157.10086	6.1
159.11664	28.9
161.13158	4.5
167.14163	1.3
171.11658	3.1
173.13161	4.9
177.00536	1.7
177.12720	14.9
179.14311	2.1
185.13191	2.4
186.62726	1.5
187.14778	1.8
189.74062	1.3
195.13788	18.2
199.14804	2.8
201.16170	1.3
209.09506	3.3
213.12741	1.9
213.14648	2.4
215.17860	2.9
222.06464	1.5
233.18855	1.6
237.09006	6.5
251.16391	3.0
251.20018	5.5
269.04227	1.6
269.08096	1.4
269.11697	5.2
269.17374	67.8
269.22391	15.6
270.17416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01863	3.0
55.05494	11.5
55.49581	2.8
56.96556	18.5
57.03426	6.7
57.07068	28.8
61.02907	14.2
62.28307	2.3
65.03929	3.1
66.00195	2.5
67.05494	21.3
69.03423	29.7
69.07040	4.1
70.06579	25.3
70.51242	5.6
70.51616	8.7
71.04987	4.0
72.08130	5.0
73.02918	15.8
73.06544	48.6
81.03410	13.3
81.07035	3.1
84.04501	3.7
84.96021	2.5
85.02897	100.0
85.06520	9.1
86.03255	3.5
87.04450	4.7
91.03944	6.1
95.04940	2.7
97.02882	40.6
97.96761	2.9
98.97571	11.2
99.04449	6.4
101.00835	4.1
109.02856	9.7
110.07121	5.3
112.07574	3.9
116.98605	14.8
119.01911	21.9
127.02462	3.9
127.03909	30.6
127.08648	9.4
131.01863	11.2
133.03381	3.2
134.99619	9.2
135.04263	3.2
136.06180	25.1
137.02890	3.9
137.06473	8.7
138.05301	6.5
138.07738	8.8
142.03525	2.8
143.01889	12.4
145.03423	4.4
145.04953	33.6
146.99600	3.6
147.05786	25.6
147.55894	6.9
149.06573	6.0
153.03943	6.6
153.05681	2.9
153.53943	4.1
155.01860	10.5
155.08176	6.7
156.06297	5.0
157.03365	3.7
158.06572	3.2
159.05850	7.0
161.02982	24.3
161.04274	3.6
163.03894	3.2
163.06020	7.8
165.04140	5.0
168.06390	3.1
172.55450	3.2
173.03021	14.2
173.06570	16.3
174.04420	10.7
174.54530	4.4
177.00710	7.9
177.05986	2.6
183.05081	3.0
185.02933	2.7
185.06590	16.0
186.04356	6.7
187.04561	3.2
187.08195	3.6
191.04044	2.7
191.07611	11.8
195.06828	3.9
203.04022	4.3
203.07567	13.6
204.05440	6.5
205.05754	4.1
212.07634	3.8
215.07588	5.5
216.07896	3.0
219.07784	20.7
219.57944	6.8
221.04977	8.9
224.10664	3.2
227.07466	2.8
237.02809	5.2
245.05014	3.7
270.08258	5.6
270.11157	4.8
270.27817	3.4
271.06088	4.9
271.12903	4.4
274.03619	2.7
275.09750	27.4
276.09775	4.3
293.05536	3.5
293.10806	51.4
294.11014	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	270.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.96555	4.2
57.03429	1.5
57.07059	2.0
59.04999	1.0
59.91030	0.9
61.02900	2.9
69.03421	5.6
69.07049	3.6
69.81457	4.7
69.81881	1.8
70.06580	1.2
70.07393	1.0
71.04987	1.2
72.08134	1.5
73.02908	2.5
73.06552	100.0
81.03406	2.8
81.07032	1.6
84.12445	0.9
85.02902	20.2
87.04445	3.4
91.03951	1.2
91.07583	13.7
97.02897	5.2
98.97579	2.7
103.03970	1.6
109.02867	2.7
116.98616	2.7
119.01908	2.0
127.03873	4.2
131.01939	1.1
131.03383	1.3
134.99643	1.8
145.04944	3.6
146.99690	1.6
147.03207	0.9
147.05780	1.5
152.02063	0.9
153.05626	1.3
158.99718	1.0
161.01193	1.2
161.02971	2.2
161.04471	2.3
162.05428	2.2
163.06053	0.9
177.00737	1.7
185.06522	0.9
201.05510	1.2
217.03445	4.5
219.01764	1.4
235.04549	1.5
237.02773	1.8
271.06030	4.0
271.13062	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	271.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.2
55.01865	1.6
55.05490	1.8
57.03436	2.8
57.07047	1.0
59.12904	0.6
60.59309	0.6
64.15171	0.5
67.05487	1.4
68.99768	1.1
69.03422	20.6
69.03804	1.0
69.07050	1.5
70.15870	0.6
71.01345	0.6
71.04990	5.6
71.63700	0.8
71.76211	0.5
73.02908	10.8
79.05455	0.9
79.72910	0.6
81.03410	34.7
81.07038	2.4
83.04966	1.1
83.08625	0.9
85.02897	12.6
85.06539	1.1
85.10194	0.5
87.04457	2.6
91.05472	2.6
91.42620	0.5
93.07046	1.5
95.04942	0.7
95.08614	1.4
97.02882	12.4
97.10143	0.7
98.97577	1.8
99.04445	32.4
101.02369	0.6
103.03935	7.0
105.07038	1.4
106.96390	0.6
107.08591	1.1
109.02869	100.0
109.10130	1.4
116.98615	0.7
119.04962	1.2
119.08548	1.0
121.06490	0.6
121.10114	1.4
125.06068	0.7
125.09632	0.8
127.03904	55.2
129.06995	0.8
133.10117	1.4
135.08057	0.7
137.05963	0.8
141.06961	1.0
145.04974	4.1
145.06464	0.8
153.06979	1.8
155.08594	1.3
163.07547	0.9
165.06978	5.3
168.05699	0.8
169.04958	1.9
169.06393	1.1
173.05945	0.9
181.06494	1.1
183.04436	0.9
183.08098	2.9
191.14238	0.7
193.06354	1.0
197.05966	1.3
201.05464	1.3
209.08141	2.3
211.07520	2.6
229.04993	1.7
235.05988	0.7
239.07216	0.6
243.06500	0.6
253.07124	2.3
271.05627	6.4
271.08154	2.9
271.09869	4.2
271.13144	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	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08777	0.4
53.03915	0.9
55.01852	0.4
55.05502	33.4
57.07063	0.5
67.05486	0.7
68.99772	0.4
69.03408	0.8
69.07048	0.8
69.88634	2.7
71.04967	0.4
75.95253	0.4
78.94057	0.4
81.07034	1.5
83.04967	100.0
83.08588	0.7
84.05269	0.6
91.05456	0.7
93.07048	0.9
95.08592	1.4
101.06033	1.1
105.06998	0.8
105.72935	0.4
107.08600	1.0
109.10143	0.8
109.41378	0.4
111.04425	25.7
117.07005	0.4
117.72061	0.4
119.08598	0.8
121.10124	0.5
129.05432	1.0
133.10068	0.6
135.11668	0.6
139.14523	0.4
145.10126	1.1
159.08032	0.6
159.11650	0.8
161.13226	0.4
171.06512	1.0
193.08621	1.7
211.09613	8.9
211.11452	0.6
229.05043	0.7
232.41826	0.4
271.06000	2.4
271.13000	1.4
271.17139	1.6
271.20767	0.5
271.24332	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.53631	0.5
55.05505	33.8
67.05486	0.9
70.24496	1.0
70.24892	1.0
71.94978	0.5
81.07045	0.6
83.04971	100.0
84.05323	0.5
95.08591	0.6
97.91759	0.5
98.21398	0.8
100.46807	0.5
101.05996	1.1
111.04430	23.5
129.05473	0.9
129.59982	0.5
144.62138	0.5
145.06523	0.6
159.08054	1.8
166.94568	0.6
171.06535	1.0
193.08630	0.6
211.09630	9.3
271.16989	1.1
271.24524	0.6
291.87094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.05505	31.5
55.97780	0.5
68.11253	0.4
68.99778	0.5
70.23966	0.5
70.24293	1.9
71.04976	0.6
71.81030	0.4
81.07053	0.9
83.04971	100.0
84.05299	0.7
85.02882	0.6
101.06013	0.7
111.04430	25.2
116.14474	0.4
129.05495	1.0
171.06538	1.2
193.08586	1.2
211.09642	9.7
222.90955	0.5
271.05960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.57455	0.5
55.05505	33.6
57.34463	0.5
64.35704	0.5
69.87089	3.1
81.07056	1.0
81.68527	0.5
83.04971	100.0
94.39478	0.5
95.08546	0.6
101.06011	1.4
109.87566	0.6
111.04430	26.5
129.05499	1.2
163.01065	0.6
163.36014	0.7
171.06497	1.1
193.08600	1.1
211.09627	9.0
255.11235	0.8
256.11896	1.0
271.05984	2.2
271.14423	1.1
271.20535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01854	0.5
55.05506	32.2
67.05488	0.7
69.47584	1.9
69.48014	2.0
71.04969	0.8
76.67867	0.4
81.07059	0.8
82.84545	0.4
83.04973	100.0
85.02889	0.5
93.07027	0.5
93.38657	0.5
95.02969	0.5
95.08593	0.8
98.21461	0.9
101.06028	1.2
105.07067	0.5
109.10123	0.7
111.04432	22.9
119.79312	0.4
121.10078	0.4
125.70787	0.4
129.05461	0.8
171.06531	1.1
193.08632	1.3
211.09616	9.6
211.11441	0.7
271.06152	1.4
271.17230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05504	40.2
56.96554	0.6
57.07044	1.0
58.22221	0.6
67.05487	3.5
68.99773	1.7
69.03420	0.8
69.07056	4.2
71.04959	1.0
71.08605	0.6
71.61511	1.1
75.36381	0.6
78.28229	0.7
79.05486	2.2
81.07043	5.6
82.03470	0.5
83.04971	100.0
83.08625	1.7
85.02906	0.8
85.06549	0.7
91.05470	2.7
93.07024	3.3
95.04949	0.7
95.08567	3.9
97.10139	1.3
98.97589	0.8
105.07020	3.8
107.08586	3.4
109.10159	3.2
111.04424	32.6
117.07058	0.9
119.08553	3.5
121.10146	2.0
123.11713	1.5
131.08598	2.5
133.10155	3.0
135.11705	1.2
141.06952	0.9
143.08516	0.9
145.10127	1.9
147.11652	2.5
149.09602	1.4
149.13284	1.1
151.03885	0.8
153.05501	0.8
153.07051	1.3
155.04756	0.6
155.08498	1.1
157.06429	0.7
157.10130	1.7
159.08046	0.7
159.11685	2.8
161.13322	1.4
165.07002	1.8
171.11707	1.3
173.06006	1.7
173.13264	2.5
175.14822	0.7
183.04366	0.9
183.08025	0.9
183.11690	2.6
185.13283	0.9
187.14838	1.8
193.08583	13.5
193.10199	1.0
197.13271	1.2
201.05504	1.9
201.16438	1.2
203.06909	1.1
211.07491	1.2
211.09586	0.8
211.14922	1.1
213.16359	1.4
227.17944	1.3
229.05069	1.9
229.19460	0.7
243.06581	0.7
253.04915	0.8
253.19562	1.2
255.00131	0.7
262.13223	0.8
271.06021	6.7
271.09711	3.4
271.13004	6.0
271.17343	1.7
271.20517	7.2
271.24173	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	271.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05505	37.1
57.03406	1.2
57.07065	2.0
58.66222	1.2
67.05487	3.9
68.99780	1.8
69.07056	3.1
69.55393	4.3
69.55830	4.7
72.18864	1.1
79.05458	1.5
81.07047	5.9
83.04971	100.0
83.08613	1.7
91.05468	1.2
93.07018	2.5
95.04948	1.5
95.08595	4.1
98.21016	3.6
105.07019	2.9
107.08532	2.1
109.06499	1.3
109.10157	2.1
111.04420	28.2
119.08586	1.4
121.10149	2.0
123.11706	1.4
125.46745	0.9
133.10118	2.0
134.99535	1.2
157.10155	1.7
159.08047	3.5
159.11644	1.4
169.09947	1.1
173.09567	1.1
193.08528	8.7
201.05350	1.3
203.07098	1.2
211.09561	1.9
213.59143	1.0
215.96234	1.1
217.19543	1.2
227.11774	3.7
228.12611	2.9
229.04915	1.4
243.06570	1.5
243.15163	1.2
255.11200	5.3
256.12048	5.1
271.06012	9.5
271.14328	5.1
271.17035	2.2
271.20566	2.6
271.24527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1437
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
52.32877	0.6
55.05505	4.5
57.07052	1.0
67.05502	2.3
69.03395	0.7
69.07060	1.8
69.71609	4.6
71.04967	0.9
79.05468	1.8
81.07059	3.6
83.04971	9.9
91.05474	1.1
93.07047	0.7
94.06535	1.3
95.08587	2.2
96.08111	2.8
105.07028	1.0
106.06532	1.8
107.08582	1.0
108.06178	0.6
108.08109	8.0
109.10151	1.6
110.09695	0.6
111.04415	1.8
116.88551	0.6
118.06529	0.8
123.11623	0.7
129.06947	1.5
130.06499	0.6
131.08531	0.7
133.10129	1.4
134.05945	1.2
136.07565	0.8
142.07782	0.8
142.40160	0.6
143.08513	0.7
144.08060	1.5
145.10080	1.1
147.08032	0.7
148.07581	0.9
156.08145	0.7
157.10127	1.2
159.08052	2.2
168.08047	4.3
169.08842	3.5
170.09627	1.3
171.09184	0.8
171.11612	0.7
172.07547	1.7
174.09160	1.1
182.09644	1.4
183.10367	6.3
183.11632	0.7
185.10730	1.0
186.09155	1.1
186.11476	1.1
193.08621	0.7
196.07532	3.9
197.08319	6.4
198.09189	1.5
198.12752	6.8
199.08641	6.4
199.12370	1.1
200.10904	0.8
200.13013	1.1
201.05342	0.9
210.09192	1.5
211.09892	13.0
213.10185	11.5
214.10875	3.5
215.15361	4.0
225.13869	1.2
226.12247	25.8
227.08186	1.1
227.11743	16.7
227.13911	1.1
228.12547	23.0
239.11873	0.8
241.09702	1.5
241.13416	1.0
242.10529	1.5
243.14905	20.7
253.13464	3.4
253.15643	0.8
254.11838	2.2
255.11253	22.4
256.12045	29.6
269.12787	1.2
271.06165	3.6
271.14398	100.0
272.14703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02658	1.1
55.01863	2.6
55.05506	2.9
56.05029	1.4
56.96559	55.5
57.03435	9.7
57.07062	1.5
59.04989	2.1
60.04534	1.5
61.02922	7.5
65.03922	2.2
69.03422	15.6
69.07056	3.1
70.06585	5.7
71.01339	1.2
71.04987	3.5
71.08617	1.3
71.60094	2.1
72.08151	2.7
73.02907	15.6
73.06530	1.8
74.97612	2.8
79.05498	1.3
81.03417	5.8
81.04521	1.7
81.07023	2.3
83.04931	1.6
83.06089	2.1
84.04484	2.3
84.08142	3.7
84.96034	7.2
85.02897	33.0
86.09694	3.1
87.04458	3.1
89.03917	2.7
90.94807	1.2
91.03963	4.3
91.05459	2.9
91.92984	1.2
92.04997	22.2
92.05542	1.0
93.05815	1.9
94.06548	5.0
95.06068	2.9
97.02876	14.3
98.97570	33.2
99.04436	2.3
102.97021	1.7
109.02852	4.1
110.01269	3.0
110.06030	100.0
110.07128	9.0
110.97556	2.9
113.96418	1.9
115.03944	1.3
116.07085	1.6
116.98605	31.2
117.03349	2.5
119.01848	8.2
120.43045	1.4
124.99113	2.7
125.01761	2.7
126.06624	34.3
127.03875	8.8
128.02225	2.7
128.98596	7.6
130.08633	1.7
131.00183	2.0
131.01840	2.3
133.01721	2.0
134.01302	2.0
134.02260	1.6
134.99658	24.0
135.03113	1.7
135.04385	3.3
137.05975	3.0
140.00127	2.4
140.05678	1.5
140.98497	1.5
143.00151	14.7
143.01830	2.1
145.04933	3.1
146.02272	2.9
146.99631	11.9
147.04390	7.9
149.01213	3.2
149.02852	1.7
150.00771	1.4
152.02312	1.8
152.07135	1.7
153.00682	3.2
153.87695	1.2
155.02818	5.8
155.04715	2.0
156.07640	2.3
158.01215	2.3
158.99622	13.0
159.03230	1.6
161.01210	39.6
161.02599	2.6
162.99103	3.1
163.02661	2.0
163.03859	10.7
165.00710	3.6
170.03377	2.6
170.99707	4.3
173.02797	2.8
174.99118	10.0
175.02788	2.4
177.00681	18.0
179.02261	8.0
182.03352	11.6
182.04761	2.2
184.02838	1.8
185.01256	3.9
186.99208	1.9
189.00674	14.9
190.95387	3.9
191.03905	22.4
191.05612	2.6
191.54094	3.4
192.98621	2.1
193.00208	16.3
200.04396	15.3
200.54597	1.9
201.00743	3.3
202.03802	1.3
202.54698	2.1
203.02257	3.5
204.05501	2.0
205.00191	4.4
206.06317	1.5
207.01727	3.9
208.96471	5.1
209.05009	4.2
211.55261	1.6
213.00665	1.3
219.01724	8.3
223.01262	4.8
227.06787	2.3
227.56972	1.5
230.05385	1.4
231.01686	2.8
232.96429	4.3
237.02754	6.1
248.04474	2.3
248.99115	21.8
249.02734	12.4
250.97517	3.6
254.05527	1.9
254.10297	1.5
261.02817	5.5
263.05975	5.9
267.00259	25.9
267.03876	16.2
272.00821	4.3
272.06500	9.7
272.11121	16.6
272.16153	8.3
272.19849	4.2
279.03998	2.2
285.01270	3.4
285.04965	7.2
290.01804	2.8
290.05518	3.1
290.97079	2.7
291.03806	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	272.1126
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03931	1.2
55.01851	1.1
55.05486	0.9
56.96558	6.5
57.03424	2.3
57.07063	0.9
61.02935	3.8
64.55554	0.6
65.03944	1.7
69.03423	6.7
70.06573	1.7
71.04993	1.7
71.62896	0.7
71.63290	1.3
72.08125	1.0
73.02905	3.4
74.74536	0.8
79.05466	0.8
81.03416	4.3
81.07037	1.0
83.08598	1.1
85.02896	25.8
86.09681	0.9
87.04459	1.7
91.03938	1.9
92.04988	5.6
95.04951	1.4
97.02885	8.5
97.76434	0.7
98.97575	7.1
99.04420	1.8
99.77200	0.7
103.03917	1.3
106.06548	3.5
109.02858	2.6
109.05247	1.2
109.06495	0.8
110.06035	100.0
111.04416	2.0
111.06351	0.9
116.98607	5.1
119.01871	1.0
120.04429	0.9
122.06012	3.7
123.04404	1.5
127.03872	5.0
128.98621	2.1
131.08559	0.7
134.06012	7.3
134.99664	3.8
143.00159	2.4
145.04929	4.0
146.05997	1.7
146.99634	2.4
147.04428	1.2
152.07097	3.9
153.00713	0.9
155.02870	1.3
158.99622	2.1
161.01219	5.5
161.02669	1.3
163.03922	1.1
170.03331	0.9
177.00723	2.4
179.02260	1.9
182.03447	1.1
189.00729	2.2
191.03969	4.6
191.05450	1.4
200.04425	2.3
202.54684	0.9
219.01756	1.9
231.01830	1.2
236.09146	1.8
237.02827	1.3
242.74156	0.8
248.99135	1.4
249.02837	2.5
254.10252	3.0
255.01753	1.0
263.06027	1.3
267.00250	2.4
267.03888	2.1
272.06287	3.0
272.11096	2.1
272.13419	4.7
272.16260	1.7
273.03000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	Deidaclin
Peak:m/z	Relative Intensity
55.01865	0.5
56.96565	4.4
57.03422	1.4
61.02915	2.0
65.03934	4.1
67.61879	0.5
69.03422	4.4
70.06594	0.9
71.04971	1.0
71.60777	0.6
73.02895	2.0
80.05004	1.0
81.03414	1.8
84.96020	0.7
85.02895	11.0
87.04462	1.2
91.03941	0.5
92.04998	55.9
93.05798	4.9
94.06560	9.4
95.51440	0.4
97.02882	3.6
98.97584	2.8
99.04455	0.6
101.02374	0.7
109.02847	0.8
110.06033	100.0
111.06396	0.5
116.98598	2.2
119.01801	0.6
121.01663	0.9
127.03873	2.5
128.98647	0.7
131.00211	0.6
131.01802	0.5
134.99615	1.5
140.02164	0.4
143.00175	1.0
145.04962	1.2
145.35895	0.4
146.99728	0.5
152.07051	1.8
153.05789	0.8
161.01176	1.4
163.03914	1.2
174.51852	0.4
174.99153	0.5
177.00725	1.6
178.04869	1.5
179.02365	0.5
182.03355	0.8
189.00676	1.0
190.95398	1.1
191.03914	1.2
193.00165	0.8
201.00702	0.4
205.00153	0.5
237.02777	0.7
248.99086	2.6
249.02846	0.8
250.97394	0.5
254.10197	1.8
267.00137	2.5
272.11264	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04652	0.4
51.96735	0.3
55.05508	0.3
59.23217	0.3
61.55825	0.3
63.59844	0.3
67.01862	2.5
68.99776	2.2
69.03423	1.1
71.63049	0.6
83.04984	0.7
86.08131	0.3
91.05478	5.3
92.06995	0.4
93.07043	0.5
95.04961	1.5
97.02864	1.2
98.97578	0.3
107.04948	2.4
111.00779	1.0
115.05453	0.3
116.06396	0.3
119.04931	16.3
120.05296	0.3
120.38691	0.3
121.02873	0.5
121.06470	0.9
123.04442	4.3
147.04395	45.9
151.03914	0.8
153.01813	100.0
154.02197	0.7
155.80672	0.3
161.05959	0.4
171.02887	5.5
171.04289	0.6
179.03371	1.2
189.05440	0.9
217.05006	0.9
231.06445	0.6
245.04494	1.0
255.06551	0.9
262.04129	0.4
273.07538	82.3
274.07840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04669	0.4
63.52855	0.4
65.03915	0.5
67.01858	2.6
67.05478	0.5
68.99773	2.9
69.03418	1.7
70.62302	1.0
70.62669	0.4
79.05498	0.4
81.07050	0.6
83.04929	0.5
85.02875	0.5
89.96132	0.4
91.05478	6.4
95.04965	2.5
97.02863	1.3
98.21430	0.3
102.30374	0.3
105.07016	0.4
107.04945	2.5
107.08545	0.5
109.10162	0.5
110.43967	0.4
111.00772	2.5
115.05431	0.4
117.07037	0.5
119.04932	15.6
121.06503	0.7
121.10175	0.4
123.03559	0.5
123.04423	7.3
127.03889	0.8
133.06390	0.5
137.02339	0.7
139.03908	0.6
147.04395	47.1
148.04691	0.5
151.03873	0.8
153.01808	100.0
154.02170	1.3
161.05896	0.5
163.03830	0.9
163.07526	1.4
171.02898	7.1
171.04279	0.5
179.03317	0.7
181.06450	1.2
189.05438	2.3
199.07512	0.8
208.56955	0.4
213.12769	0.4
217.04930	0.4
227.03339	0.5
228.04106	0.6
229.04926	0.6
231.06566	0.7
245.04395	0.7
255.06532	1.6
255.17374	0.4
273.04083	6.5
273.07526	86.3
274.04636	3.1
274.07904	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02388	0.2
53.03938	0.1
55.01868	0.3
59.19765	0.2
67.01516	0.4
67.01863	5.9
67.05492	0.2
68.99785	2.8
69.03427	1.4
70.68291	0.3
81.03414	0.6
83.01339	0.6
85.02895	0.3
91.05476	4.8
93.07011	0.2
95.04958	1.8
95.08595	0.2
97.02894	1.1
98.97572	0.2
107.02574	0.2
107.04279	0.3
107.04958	2.7
111.00790	0.7
111.04455	0.2
111.36565	0.1
117.06976	0.2
119.04940	13.2
121.02858	0.4
121.06503	1.3
123.04430	3.5
125.02345	0.6
127.03925	0.4
129.01822	0.7
131.08517	0.2
147.04401	39.8
148.04753	0.5
148.90192	0.2
151.03900	0.4
153.01817	100.0
154.02127	1.0
161.05940	0.3
171.02879	24.8
172.03152	0.2
179.03371	1.7
181.06480	0.4
183.27351	0.2
189.05486	0.9
207.06625	0.2
213.09166	0.2
231.06494	2.0
255.06578	0.5
273.07553	79.5
274.07904	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
65.03932	0.5
67.01862	2.1
67.05497	0.2
68.99780	1.6
69.03424	1.7
69.07078	0.3
69.62576	1.8
77.68164	0.2
79.01846	0.4
81.07039	0.3
81.96329	0.2
91.05469	5.9
93.88667	0.3
95.04940	2.0
97.02880	0.8
98.20763	0.5
107.04934	2.3
107.08584	0.3
111.00753	0.4
119.04929	16.9
119.46521	0.3
120.05215	0.3
121.02805	0.3
121.06511	0.5
121.10130	0.2
123.04430	3.9
147.04390	46.6
148.04727	0.8
151.03911	1.1
151.93445	0.2
153.01805	100.0
154.02165	1.4
161.06071	0.2
171.02872	3.3
179.03381	1.1
189.05484	1.0
195.83124	0.2
226.34305	0.2
231.06497	0.4
255.06580	0.5
273.07532	81.5
273.25778	0.5
274.07898	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05492	5.2
57.03407	1.6
57.07073	2.6
61.63601	1.2
62.36909	1.4
67.05503	7.0
69.03407	2.2
69.07052	5.3
69.90459	3.2
69.90871	4.0
71.04976	3.7
76.28760	1.2
79.05477	4.9
81.07055	8.5
83.04970	2.9
83.08598	1.6
85.06530	4.1
91.05476	9.6
93.07053	9.7
95.04961	24.7
95.08585	5.4
97.06508	1.7
99.08107	1.3
105.07015	18.5
105.51311	1.3
107.08587	12.4
109.06509	31.4
109.10166	9.1
111.08057	3.8
113.06018	1.9
115.05408	1.9
117.07034	7.7
119.08562	24.1
119.09340	2.2
121.06482	2.3
121.10120	5.6
123.08065	23.5
123.11720	2.2
128.06236	1.7
129.06973	6.4
130.07774	3.3
131.08565	19.6
133.06464	1.7
133.10095	10.0
135.08002	7.3
135.11656	2.1
137.09595	8.0
141.06958	2.9
142.07777	6.7
143.08545	12.3
145.10106	36.9
147.08032	7.7
147.11679	15.5
149.09599	3.0
151.07579	3.1
151.11180	4.0
155.08549	3.9
156.09319	8.8
157.10118	25.2
158.10855	4.6
159.08046	5.1
159.11678	11.8
161.09631	6.5
161.13214	3.7
163.11124	2.8
167.08536	2.8
169.10139	6.5
170.10892	2.6
171.11656	24.4
172.12444	2.6
173.09669	7.5
173.13252	22.6
174.10332	2.1
175.11165	10.4
177.12590	2.3
181.10153	3.3
182.10907	5.5
183.11679	4.1
185.09608	3.5
185.13187	9.2
187.11153	14.9
187.14793	5.2
189.12708	17.5
195.11644	3.2
196.12384	2.3
197.13208	11.4
199.11147	10.8
200.12035	1.6
200.78207	1.5
201.12680	2.5
203.14240	4.6
207.11642	2.4
211.14850	4.5
212.15590	3.3
213.12711	5.8
213.16322	10.5
215.14305	35.1
217.12259	7.0
225.12729	3.6
227.14330	1.6
227.17889	2.8
229.15868	4.8
231.17459	11.4
237.16379	4.1
240.15027	1.9
245.19019	1.7
255.14813	2.2
255.17435	33.8
258.16278	1.6
273.18463	100.0
274.18796	2.6
288.69360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1846
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03922	1.7
55.01882	3.2
55.05263	1.2
55.05507	14.4
57.03443	4.4
57.07046	1.0
60.85400	0.6
65.03924	1.2
67.05498	16.8
69.03423	2.3
69.07059	10.5
69.83160	4.2
71.04963	2.0
79.05050	1.1
79.05486	16.6
81.03391	1.3
81.06573	0.9
81.07048	17.1
83.04984	2.9
83.08617	5.8
83.34182	0.6
85.06547	0.8
91.05472	33.4
93.07040	12.0
95.04951	4.0
95.08610	9.2
97.06523	2.3
97.10140	1.8
98.97581	0.8
99.08068	1.2
103.05476	1.4
105.07023	29.0
107.04934	2.4
107.08583	8.3
109.06522	3.6
109.10147	4.2
110.45330	0.6
111.04433	1.1
111.08028	0.8
115.05453	3.6
116.06228	2.7
117.07005	29.4
117.07845	1.4
119.08570	16.8
121.06479	3.9
121.10139	4.8
123.08038	2.4
123.11712	1.0
125.09631	1.1
128.06212	4.8
129.06993	14.0
130.07776	4.7
131.08557	41.0
132.05690	0.6
133.06490	7.4
133.10127	9.7
135.08032	7.6
135.11679	1.6
137.09570	2.3
141.07011	1.6
142.07744	2.0
143.08546	15.4
144.09286	1.8
145.06458	3.2
145.10112	36.0
146.07274	1.1
147.08038	12.6
147.11665	4.1
149.09613	3.6
154.07784	0.8
155.08530	2.3
156.09334	0.8
157.08911	1.1
157.10123	13.5
158.10915	0.8
159.08040	3.8
159.11681	12.8
161.09607	10.9
161.13284	1.6
163.07501	1.1
163.11130	1.6
167.08603	0.9
169.10167	3.2
171.11678	8.2
173.09601	4.2
173.13275	3.5
175.11192	5.0
177.09096	0.9
179.10587	0.7
181.10107	1.7
183.11656	2.1
185.09612	2.0
185.13150	4.0
187.11162	2.6
189.12726	2.7
195.11707	2.8
199.11183	2.2
199.14816	2.6
201.12827	1.8
209.13303	1.3
211.14793	1.0
213.12665	1.0
213.16399	1.9
217.15825	2.7
217.19435	0.8
227.14246	1.0
227.17845	4.6
231.17435	1.9
237.16360	4.9
245.18967	8.6
255.17393	10.9
273.18463	100.0
274.18887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.61424	1.8
55.05500	10.6
57.07059	8.0
62.05124	1.7
67.05495	20.0
69.07057	34.5
71.08614	2.1
73.43037	2.0
79.05481	10.6
81.06577	3.5
81.07047	67.1
83.08617	11.3
83.44711	1.7
91.05463	7.9
93.07033	33.3
94.57098	1.8
95.08594	64.2
95.75262	1.9
97.10153	9.3
99.42892	1.9
105.07025	23.8
107.08584	52.5
109.10144	53.9
111.11717	4.7
119.08569	21.8
121.10123	42.5
123.11696	43.4
131.08592	2.8
133.10129	13.7
135.11670	29.7
137.13245	15.2
147.11627	12.4
149.13235	50.1
151.14799	6.4
159.11630	2.6
161.13223	28.7
163.14807	27.4
175.14836	12.2
177.16316	18.2
189.16345	16.8
191.17905	11.3
203.17929	18.1
207.23782	2.0
217.19493	30.1
231.21149	2.9
272.83588	1.9
273.25732	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	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	18.1
63.11811	0.6
70.04158	3.3
71.95259	2.7
98.21389	0.8
98.45242	0.6
98.97572	85.1
101.00871	0.9
116.98608	92.7
119.01117	1.0
119.01904	11.6
120.02002	0.9
124.60258	0.6
130.93298	1.6
133.06589	0.5
134.99643	71.0
135.66019	0.5
137.02948	6.3
140.00172	3.1
142.03459	4.5
145.03445	1.2
145.09991	0.7
147.46179	0.5
148.94330	0.7
153.00685	13.5
158.01233	3.4
160.04529	1.8
172.94353	2.7
177.00919	5.4
178.01120	1.3
185.02846	0.9
187.04500	1.5
190.95378	7.6
192.98705	0.8
203.02473	0.8
208.96356	3.7
214.95401	1.8
216.98709	1.7
219.01959	4.6
220.02110	0.9
221.01675	1.2
228.98569	1.3
229.05489	0.7
229.48737	0.7
232.96426	8.8
234.99734	4.1
238.95468	0.9
239.95546	0.8
240.49515	2.0
240.99472	0.7
248.95999	5.7
249.46089	2.9
249.95850	1.6
249.99277	12.7
250.97375	7.0
251.46284	2.7
251.49113	0.6
251.96301	1.0
256.96478	20.3
257.96649	2.8
258.96423	4.4
259.00067	0.7
259.96582	1.3
260.46799	6.9
260.96869	3.4
261.03006	7.6
261.47247	1.0
261.50146	6.2
262.97128	0.6
263.02917	0.7
271.97598	2.0
272.47485	1.5
274.97464	100.0
275.05835	1.8
275.97702	1.5
276.50995	0.6
276.97424	2.2
277.00897	1.0
282.99899	2.0
292.98477	80.5
293.99045	0.7
297.99063	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	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55870	0.4
55.01857	0.8
56.96559	19.8
57.03437	1.2
61.02440	0.5
61.02918	0.6
64.35735	0.4
69.03419	1.2
70.98103	1.4
71.60471	0.5
71.60854	0.7
71.95257	1.8
73.02908	1.4
74.97592	0.7
81.03410	0.9
84.04475	0.6
84.08109	1.0
84.96022	0.6
85.02895	2.7
88.92944	0.5
88.99166	0.8
97.02881	1.4
98.97572	84.9
108.04453	0.8
110.06015	0.6
110.97562	1.6
112.99132	0.7
113.02354	1.7
113.03478	1.2
113.07134	2.4
115.02456	0.9
116.98608	80.8
119.01919	3.7
125.07110	6.1
127.03898	1.6
128.98575	3.7
130.93277	1.4
131.00142	1.3
131.01915	1.4
133.03444	1.4
134.99644	52.1
137.02924	1.1
140.00180	1.9
142.96449	0.7
143.01860	0.7
145.03474	1.3
146.99596	2.6
149.01204	1.1
153.00713	9.6
153.05774	0.7
155.01875	1.2
157.03439	0.7
158.01227	2.4
158.99594	0.9
160.97502	0.6
161.01303	0.8
161.02948	1.6
165.00697	1.6
165.04239	0.7
165.05997	0.6
172.94327	2.8
172.97540	0.9
173.02939	0.9
173.06573	0.8
176.02251	0.7
177.00725	1.5
185.06477	0.7
187.00673	0.5
188.97099	0.6
189.00661	0.8
190.95401	6.9
190.98618	5.9
193.00226	0.9
201.00757	0.8
203.04045	0.6
203.07590	0.6
205.00093	1.1
206.98134	0.9
208.96483	3.7
208.99654	2.2
214.95387	0.8
215.04024	1.1
215.07526	0.9
218.98151	0.7
219.01707	3.4
220.99623	0.8
221.04993	1.6
223.01358	0.8
230.98370	0.6
232.96440	7.4
232.99585	3.4
233.01416	0.5
234.99600	0.7
237.02739	4.1
245.05284	0.8
250.97473	6.2
251.00560	2.5
251.02454	2.8
255.03741	0.7
256.96402	12.7
260.99564	0.5
261.03036	1.1
274.97476	100.0
275.07321	2.7
275.12399	1.2
292.98532	85.6
293.03113	3.6
293.98688	0.6
297.98962	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	275.0909
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03938	0.4
67.01817	0.3
67.02615	0.2
71.16419	0.4
71.16756	0.3
79.05475	0.8
81.07031	0.3
85.02840	0.3
91.05463	0.5
93.07034	0.3
95.04969	1.0
95.08582	0.3
96.37267	0.2
105.07006	0.5
107.04941	100.0
108.05290	0.8
119.08632	0.2
121.06511	0.3
123.04404	0.6
127.03875	0.9
131.08545	0.3
133.10110	0.3
147.11623	0.2
149.05931	1.2
151.03870	1.2
155.08568	0.2
169.04944	11.4
215.14227	0.3
250.52353	0.2
275.09061	3.1
275.13788	0.4
275.20114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	ent-Fisetinidol
Peak:m/z	Relative Intensity
51.02370	0.4
52.10805	0.1
55.05498	0.2
67.05492	0.7
69.07071	0.1
70.77999	0.4
77.03930	0.5
81.07041	0.3
91.05454	0.5
93.07034	0.2
95.04970	1.1
105.03363	1.2
105.07017	0.5
107.04953	0.5
107.08585	0.3
111.04409	0.4
119.04939	0.2
119.08624	0.2
119.69026	0.2
121.10146	0.2
123.04417	100.0
124.04745	0.7
129.15042	0.2
131.08582	0.2
135.04375	0.8
137.05971	0.6
145.10075	0.4
147.04420	0.5
153.05450	8.6
155.02267	0.3
159.11726	0.2
165.05464	6.6
165.06859	0.4
175.55898	0.2
215.14375	0.3
239.06900	0.2
257.08115	0.5
266.19839	0.2
275.09155	1.7
275.20096	0.9
275.23038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.60509	0.2
53.03935	0.3
54.82626	0.2
55.01864	0.6
55.05492	0.9
56.96564	0.4
57.03430	0.3
57.07066	0.3
61.52987	0.2
67.01847	1.2
67.05495	1.3
68.99775	0.2
69.03399	0.4
69.07053	0.9
69.42750	0.2
69.98734	1.6
71.04979	0.5
79.05477	1.5
81.07040	1.5
83.04977	0.4
85.02896	1.1
85.06545	0.9
91.05472	1.2
93.07028	0.9
95.04949	1.4
95.08585	0.9
98.20768	0.3
105.04494	0.3
105.07024	1.3
107.04942	100.0
107.08575	1.2
108.05283	0.8
109.06525	0.4
109.10136	0.5
114.05476	0.2
117.06982	0.4
119.01928	0.3
119.08558	1.3
121.06484	0.5
121.10127	0.8
123.04458	1.2
123.08022	0.5
126.96683	0.3
127.03895	3.8
129.05484	0.5
131.08553	0.8
133.10129	1.0
135.08055	0.5
135.11667	0.4
139.03885	0.4
145.03479	0.4
145.10115	0.6
147.08052	0.4
147.11678	0.5
149.05972	1.2
149.09645	0.4
149.13191	0.3
151.03889	3.7
157.10121	0.5
159.08064	0.2
159.11707	0.7
161.02972	0.4
161.09503	0.3
161.13335	0.3
169.04950	16.7
171.11690	0.3
173.13271	0.6
181.04965	1.0
185.11705	0.4
187.14813	0.4
188.26425	0.2
191.14284	0.3
202.96008	0.3
215.14381	0.3
215.53156	0.2
247.10861	0.6
257.08383	0.3
275.09119	3.4
275.16977	0.3
275.20163	2.8
275.23242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03922	1.2
55.01856	1.5
55.05257	0.8
55.05505	12.7
57.03419	0.9
57.07044	0.6
67.05502	13.5
68.69302	0.6
69.07060	8.5
70.06883	2.8
71.04967	1.6
79.05488	13.9
81.07050	15.4
83.04947	1.8
83.08615	4.7
85.06524	1.5
85.21917	0.7
88.07625	0.8
91.05471	34.4
93.07032	13.8
95.04939	2.7
95.08591	10.8
97.06503	2.5
97.10147	2.5
103.05457	1.6
104.06213	0.8
105.07019	55.4
106.07325	1.2
107.04935	2.3
107.08581	11.0
109.06496	2.8
109.10152	4.6
111.08041	1.0
115.05492	0.8
117.06998	7.6
119.08569	31.2
121.06479	2.6
121.10130	5.9
123.08048	1.6
123.11668	1.4
125.09587	1.0
128.37563	0.6
129.06993	2.0
131.08563	11.6
132.09311	1.0
133.10120	36.4
133.23387	0.8
135.08014	2.0
135.11671	2.7
137.09612	2.1
139.11143	0.7
141.06950	1.1
143.08530	2.4
145.10103	12.5
146.10892	0.8
147.08035	1.1
147.11678	17.9
149.09598	4.1
149.13307	1.4
151.11229	0.9
155.08534	1.9
157.10120	2.6
159.11678	7.1
161.09615	1.1
161.13278	4.3
163.11137	1.6
169.10136	0.9
171.11678	2.6
173.11896	0.6
173.13297	3.8
175.11186	1.1
183.11722	1.8
185.13255	0.9
197.13316	1.0
206.61263	0.7
215.17966	0.8
229.19481	1.9
233.15317	0.8
239.17947	3.9
247.16986	0.7
247.20625	1.5
257.18958	8.6
275.20035	100.0
275.27722	9.5
276.20352	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.41155	0.3
53.03926	0.8
55.01857	2.6
55.05500	9.5
55.19215	0.3
57.03406	1.1
57.07041	0.9
59.04982	0.5
65.03915	1.1
66.92694	0.4
67.05494	12.4
69.03404	0.6
69.06716	0.5
69.07058	8.1
70.87269	0.9
71.04991	1.8
79.05479	13.5
81.03383	0.4
81.06567	0.7
81.07044	13.4
83.04970	2.9
83.08608	3.6
85.06496	0.9
91.05466	25.1
92.05804	0.5
93.07030	15.7
95.04945	3.5
95.08589	9.2
97.06518	2.5
97.10143	1.3
103.05421	0.6
105.07012	38.2
106.07336	0.5
107.04946	3.1
107.08576	10.9
109.06494	3.6
109.10120	4.3
111.08074	1.0
113.05972	0.5
115.05478	0.6
117.06196	0.6
117.06998	8.4
119.08562	24.0
121.06485	4.0
121.10123	5.5
123.08045	2.6
123.11691	1.4
125.09606	0.8
128.06190	0.6
129.06999	2.2
130.07744	0.5
131.08551	11.2
133.06461	0.8
133.10107	23.5
135.08051	2.9
135.11693	2.7
137.09560	1.0
141.06949	0.8
142.07727	0.4
143.08511	2.2
144.09335	0.5
145.06508	0.4
145.10103	12.4
147.08015	1.5
147.11664	17.4
149.09584	4.4
149.13232	1.3
151.11169	1.3
155.08496	3.0
157.10052	2.3
159.08028	1.4
159.11647	7.8
161.09608	1.6
161.13235	3.9
163.11122	2.8
165.09052	0.5
165.12738	0.4
167.08534	0.8
169.10085	2.4
171.11650	1.8
173.09612	1.4
173.13232	4.0
175.11150	1.3
175.14767	0.6
177.12711	1.4
182.10883	1.1
183.11728	2.0
185.13266	0.9
187.11156	1.3
187.14752	1.4
189.12657	0.7
191.14333	0.9
193.12167	0.6
197.13234	2.9
199.14816	0.8
201.12729	1.3
203.14380	0.8
207.13742	0.6
211.14691	0.6
215.14302	4.3
215.17923	1.0
219.13797	0.6
229.19453	1.6
233.15190	0.6
233.18858	0.6
239.17957	2.9
247.20595	2.1
257.18985	8.3
275.20016	100.0
276.10471	0.3
276.13858	0.9
276.20468	2.1
298.28122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.11937	0.5
53.03919	0.7
55.01855	1.6
55.05507	9.7
57.03437	3.9
57.07067	1.4
65.03924	0.6
67.05155	0.9
67.05500	10.2
67.17207	0.6
69.06752	0.8
69.07063	6.7
69.95852	1.6
69.96268	1.7
70.06573	2.2
71.04990	1.1
71.08627	0.8
73.06512	0.6
79.05485	9.5
79.84942	0.5
81.07052	11.6
83.04960	1.6
83.08612	4.2
85.06532	2.1
88.07643	3.0
90.62891	0.6
91.05473	25.8
93.07027	10.0
95.04966	1.6
95.08604	7.6
97.06510	1.1
97.10150	1.0
102.09177	1.3
105.07021	37.8
106.08655	2.0
107.04922	1.1
107.08564	6.3
109.06499	1.8
109.10123	3.0
112.69917	0.6
117.06994	7.9
119.08572	30.8
121.06501	1.3
121.10130	4.2
123.08028	1.3
123.11678	0.9
129.06950	2.3
131.07593	0.7
131.08553	9.5
133.06450	0.6
133.10120	21.3
135.08011	1.5
135.11684	1.8
143.08562	2.5
145.10112	11.0
147.11681	16.9
149.09660	2.7
155.08543	0.9
157.10069	3.0
159.11674	12.1
161.09625	1.2
161.13235	7.8
161.39111	0.6
163.11186	1.6
169.10091	1.6
171.11694	2.3
173.13297	3.7
175.14720	0.9
177.12727	1.2
183.11708	2.0
185.13251	5.6
187.11095	1.0
197.13292	2.3
201.16438	1.5
203.14241	4.0
205.12274	0.7
217.86148	0.6
219.13792	0.8
219.17430	1.2
229.19527	1.4
239.17940	4.5
257.18948	10.3
257.26706	1.0
275.20038	100.0
275.27722	30.9
276.20441	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.57938	1.1
53.03935	1.6
55.01855	2.1
55.05294	1.2
55.05504	12.8
57.03415	3.0
57.07055	1.9
67.05150	2.1
67.05496	21.4
69.07057	11.7
70.93099	2.0
71.04990	1.9
79.05053	1.7
79.05485	19.4
81.06567	2.0
81.07045	32.7
83.04983	3.3
83.08614	4.6
85.06534	2.1
85.28102	1.0
91.05471	36.1
93.07027	20.8
95.04930	3.1
95.08591	16.1
97.06500	3.0
97.10166	1.5
99.08066	1.4
105.07017	48.2
107.04955	6.2
107.08580	15.1
109.06491	8.7
109.10154	7.6
111.08099	1.7
115.81312	1.0
117.07005	11.5
119.08573	32.9
121.06492	3.9
121.10120	8.6
123.08070	6.4
123.11657	1.9
128.06242	1.5
129.07051	2.5
131.08557	14.6
133.06384	1.2
133.10115	39.5
135.08046	7.5
135.11684	6.5
137.09599	5.6
139.11160	1.7
143.08556	2.8
145.10107	14.0
147.08055	1.2
147.11676	20.9
149.09622	7.0
151.11147	2.1
155.08540	1.2
157.10092	4.4
159.11690	11.4
161.13268	6.0
163.11133	3.7
165.09081	2.1
169.10039	2.0
171.11697	1.9
173.13289	6.1
175.11214	1.5
175.14781	2.7
177.12648	1.8
183.11647	2.7
185.13280	1.9
187.11307	1.2
187.14601	1.7
197.13274	3.1
201.12759	1.7
201.16383	3.3
203.14261	2.8
219.17453	1.5
220.71936	1.2
229.19443	2.5
239.17873	6.0
247.20598	2.8
257.18948	8.7
275.20038	100.0
276.20319	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	275.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01850	2.6
55.05510	10.1
57.03422	3.7
57.07063	1.0
57.59413	0.6
59.04992	0.8
60.58060	0.6
65.03938	0.7
67.05162	1.1
67.05496	17.7
69.07059	10.4
70.87420	2.3
71.04964	1.4
79.05040	1.3
79.05479	16.7
81.07049	23.5
83.04964	2.4
83.08631	4.6
85.06509	0.8
91.05470	32.5
93.06467	1.4
93.07031	16.9
95.04951	2.9
95.08029	1.3
95.08593	13.7
97.06510	2.6
97.10131	1.6
103.05416	0.9
105.07017	43.0
106.07359	0.8
107.04951	3.5
107.08585	13.8
109.06509	7.0
109.10136	5.8
117.07003	7.8
119.08567	30.3
121.06482	3.2
121.10132	7.9
123.08056	5.6
123.11689	1.3
129.07059	1.7
131.08557	12.2
133.10112	36.8
135.07996	5.6
135.11682	5.3
137.09560	2.7
141.06915	1.7
143.08510	1.8
145.06505	1.0
145.10118	11.4
145.11229	0.9
147.08034	1.4
147.11668	16.2
148.11957	0.7
149.09613	6.2
149.13239	0.9
151.11186	2.0
154.34857	0.8
155.08482	1.2
157.10123	3.5
159.08119	1.0
159.11656	8.4
161.09601	1.4
161.13290	4.8
163.11150	3.0
169.10110	1.7
171.11623	2.6
173.13214	4.5
175.11169	1.6
175.14819	1.5
177.12758	1.2
183.11658	2.6
185.13252	2.2
185.98087	0.8
187.14796	1.7
197.13234	2.2
201.12708	1.4
201.16380	1.1
203.14331	1.8
211.14755	0.9
215.14325	0.8
215.17909	0.8
229.19460	2.2
233.15295	1.5
239.17944	4.2
247.20691	3.7
247.61913	0.7
257.18967	9.4
275.20029	100.0
276.20361	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02370	0.8
53.03929	2.8
53.12574	0.9
55.01859	4.0
55.05289	1.1
55.05506	10.6
57.03421	3.8
57.07073	1.9
58.14475	0.9
65.03909	1.2
65.66798	0.7
67.05165	1.5
67.05501	23.5
69.03406	1.6
69.06759	1.0
69.07062	10.8
70.43483	3.2
71.05005	1.5
71.14449	0.8
79.05486	30.4
79.05951	1.5
81.03397	3.0
81.07051	72.0
81.92247	0.9
83.04983	4.4
83.08609	5.2
85.06543	1.4
91.05468	26.0
93.07040	19.9
95.04955	8.9
95.08604	17.7
97.06550	5.9
97.10172	2.2
99.08064	1.1
105.07020	35.2
107.04952	9.1
107.08585	16.2
109.06508	31.5
109.10139	7.7
111.08056	2.6
115.05471	1.0
117.07030	8.1
119.08572	28.0
121.06495	5.1
121.10127	10.9
122.51739	1.0
123.08062	6.3
123.11714	2.9
125.09600	1.3
129.07031	2.6
131.08568	11.9
133.10114	28.8
135.08038	6.5
135.11674	6.1
137.09584	3.8
143.08585	1.8
145.10126	12.8
147.08046	2.0
147.10545	0.6
147.11670	15.3
149.09644	6.6
149.13216	5.5
151.11185	2.9
155.08594	0.8
157.10136	3.1
159.11678	9.6
161.09587	2.6
161.13246	6.0
163.11165	5.6
163.14818	2.9
165.09177	1.4
165.12723	4.0
165.51472	0.9
169.10074	2.6
171.11749	1.8
173.09584	1.0
173.13258	6.2
175.11183	2.9
175.14781	1.7
175.41002	0.9
177.12729	2.5
183.11659	2.1
185.13235	1.1
187.11169	1.8
187.14737	1.4
191.14278	2.0
193.12236	3.2
193.15793	1.2
197.13327	1.4
199.15094	1.0
201.12807	2.1
215.14400	1.1
215.17937	2.2
217.15819	0.9
219.13881	1.2
229.19495	3.7
229.63168	1.0
239.17931	4.4
247.20518	5.8
257.19009	10.5
257.21536	1.5
275.20047	100.0
276.20364	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.4
55.01867	2.8
55.05507	11.8
56.32703	0.4
57.03422	0.8
57.07055	0.8
58.18723	0.4
65.03924	1.0
67.05497	18.8
67.23209	0.4
69.03410	0.8
69.06717	0.6
69.07062	8.3
69.33226	0.4
69.75772	1.9
69.76188	0.9
71.04984	1.8
77.03911	0.4
79.05482	19.3
81.03395	0.5
81.07048	19.8
83.04972	3.4
83.08144	0.4
83.08610	5.7
85.06531	1.4
88.07565	0.5
91.05470	29.9
93.07034	21.4
95.04961	4.5
95.08595	14.4
97.06525	4.8
97.10157	2.4
98.21468	0.7
99.08067	0.6
103.05485	0.9
105.07018	43.6
106.07314	0.6
107.04958	2.9
107.08578	18.3
109.06511	4.7
109.10146	7.0
111.08065	2.4
115.05434	0.9
117.06201	0.7
117.07002	10.4
117.07824	0.5
119.04834	0.5
119.08569	32.0
120.08869	0.8
121.06467	3.5
121.09295	0.8
121.10123	10.4
123.08043	3.5
123.11675	1.4
125.09605	2.5
127.07586	0.5
128.06255	0.6
129.06992	2.1
130.07765	0.6
131.08548	14.1
132.09341	0.7
133.06468	2.4
133.10118	31.1
134.07178	0.6
134.10425	0.5
135.08060	4.7
135.11659	3.8
137.09576	4.5
139.11137	0.9
141.06966	1.0
142.07741	0.5
143.08566	2.2
145.06491	0.4
145.10104	15.8
146.10870	0.6
147.08022	1.6
147.11670	15.0
149.09604	15.0
149.10493	0.2
149.13235	1.2
151.11162	3.8
155.08556	2.4
157.10101	3.2
159.07997	1.1
159.11678	10.2
161.09602	1.5
161.13240	4.9
162.10295	0.7
163.11174	8.4
163.14879	0.6
165.12775	1.9
167.10619	0.5
169.10089	3.8
171.11647	3.2
173.09587	1.7
173.13249	4.7
175.11172	3.4
175.14796	1.6
177.12759	2.8
179.14302	0.8
182.10905	0.4
183.11649	3.1
185.13263	1.3
187.11163	1.2
187.14799	1.1
189.12721	1.6
190.22192	0.4
191.14301	1.2
197.13278	3.1
199.14894	0.6
201.12778	1.1
205.12172	0.5
207.13757	0.5
208.26410	0.4
210.13997	0.8
211.14789	1.3
213.16377	1.4
215.14264	1.6
215.17967	2.4
219.13730	0.7
229.15909	0.9
229.19444	3.6
230.19980	0.5
233.15331	0.7
233.18854	0.8
239.17909	11.9
247.01453	0.4
247.20561	2.4
257.18973	15.3
275.20035	100.0
275.27591	3.7
276.20346	3.0
283.30511	0.5
291.13123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.40002	0.6
51.68818	0.8
53.03933	1.8
54.06467	0.7
55.01868	3.1
55.05507	10.3
57.03412	2.2
65.03910	1.1
65.50834	0.6
67.05497	15.0
69.03423	0.6
69.07064	7.4
70.87165	1.8
71.04978	1.4
79.05048	1.1
79.05487	17.1
81.03404	3.8
81.07047	38.0
83.04971	3.1
83.08624	5.5
85.06531	1.4
91.05472	21.8
93.07038	17.0
95.04958	6.9
95.08599	10.9
97.06494	2.6
97.10159	1.9
99.08070	0.9
103.05476	1.2
105.07018	32.3
107.04945	38.2
107.08583	11.1
109.06516	8.8
109.10145	4.5
111.08038	1.8
117.06998	5.8
119.08575	17.5
120.05686	1.0
121.06479	8.2
121.10120	6.9
123.08047	2.4
123.11689	0.9
125.09638	0.6
129.07004	2.5
131.08557	10.8
133.06485	1.4
133.10115	19.1
135.08034	2.7
135.11662	3.7
137.09599	1.7
139.11176	0.8
141.06917	0.8
143.08534	2.2
145.10110	10.9
147.08026	1.2
147.11676	9.9
149.09602	7.5
149.13266	1.5
151.11147	1.2
155.08594	0.9
157.10101	1.9
159.11650	4.4
161.09601	1.5
161.13264	2.8
163.11127	3.5
165.12704	1.8
169.10100	1.3
171.11681	2.3
173.13237	2.7
175.11171	1.6
177.12744	1.1
179.10641	0.7
183.11668	2.2
185.13184	0.8
193.12268	0.9
197.13292	1.8
201.12689	0.8
211.14763	0.8
213.16370	0.8
215.14301	0.6
215.17998	1.1
229.19574	2.3
233.19141	0.8
239.17865	3.7
247.20552	2.4
257.18982	9.0
275.20038	100.0
276.20413	2.2
298.35498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02361	0.8
53.03934	2.6
55.01867	9.2
55.05508	15.7
57.03400	1.0
57.25134	0.9
60.08714	1.0
65.03941	1.3
66.65852	0.8
67.05498	21.4
69.06715	1.2
69.07063	15.9
70.42561	2.5
70.42931	1.7
71.04991	0.9
79.05051	1.5
79.05483	20.3
81.03398	2.0
81.07050	43.7
83.04980	3.0
83.08619	6.7
85.06522	1.8
91.05474	56.7
93.07039	21.7
95.01300	2.7
95.04946	5.4
95.08595	17.1
97.06525	17.1
97.10156	3.2
98.20956	1.3
103.05465	2.5
105.07021	100.0
106.07399	1.0
107.04945	7.2
107.08582	10.7
107.70098	0.9
109.06516	2.9
109.10146	5.5
117.07015	9.9
119.08569	41.6
121.06525	0.9
121.10134	6.0
123.08082	1.5
123.11720	1.2
125.09599	1.5
129.06985	2.2
130.07802	0.9
131.08556	20.4
133.10120	61.1
134.10443	1.2
135.08038	2.3
135.11682	2.8
137.09592	1.6
139.07562	1.1
141.07050	1.4
143.08548	3.4
145.10106	15.6
147.11667	21.0
149.09592	3.6
151.11183	1.6
155.08508	1.6
157.10083	3.0
159.11693	7.3
161.13242	3.1
163.11192	2.9
165.09106	2.2
169.10080	1.5
171.11690	2.6
172.42075	0.8
173.13266	1.9
175.11200	1.1
177.12671	1.1
179.14253	2.2
183.11703	1.2
185.13261	1.1
187.11177	1.0
189.12718	0.9
193.12302	1.0
195.13791	0.9
197.13144	1.5
205.12216	1.1
229.19501	2.1
239.17928	2.8
247.16867	1.2
247.20631	2.1
257.18954	6.0
275.20038	92.5
276.20288	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	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.81396	0.9
51.90662	0.7
53.03922	2.6
53.79533	0.9
55.01865	7.4
55.05502	12.0
57.03432	1.0
57.07050	1.5
59.04977	0.8
65.03928	1.2
67.05498	16.2
69.07059	10.6
71.04964	1.7
79.05486	18.3
81.03413	1.1
81.06567	1.6
81.07049	28.7
83.04968	2.6
83.08604	3.7
85.06529	1.5
85.14362	0.9
88.07607	0.9
91.05470	37.2
93.06456	1.2
93.07034	18.0
95.01331	1.2
95.04933	4.1
95.08018	1.5
95.08585	13.1
97.06518	12.5
97.10162	2.0
103.05473	1.4
105.07017	56.3
107.04939	7.6
107.08573	12.6
109.06513	4.1
109.10128	7.1
115.05442	1.0
117.07000	9.5
119.08566	31.7
119.49043	0.8
120.08868	1.0
121.06468	2.5
121.10110	6.7
123.08031	2.7
123.11718	1.3
125.09578	1.3
129.06985	1.6
130.07741	1.0
131.08568	14.1
133.10114	36.0
135.08015	3.0
135.11678	3.5
137.09576	2.0
143.08511	1.2
145.10100	12.7
147.11674	16.5
149.09590	8.4
149.13205	1.6
151.11168	2.5
155.08453	1.2
157.10086	3.4
159.11678	8.5
161.09595	1.2
161.13243	4.6
163.11060	2.0
163.14864	1.0
165.09047	1.3
169.10123	2.0
171.11661	1.5
173.13246	2.3
175.11203	1.7
177.12805	1.4
179.14311	2.4
183.11673	2.5
187.11121	0.9
187.14774	2.6
197.13260	1.9
205.12106	1.0
205.15620	0.8
215.14357	1.9
215.17932	1.3
229.19490	2.5
229.41650	0.9
233.15315	1.2
239.17870	2.8
247.20595	2.6
257.18936	8.1
275.20032	100.0
275.27661	3.1
276.06662	1.2
276.20309	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03940	1.2
54.69246	0.5
55.01868	3.1
55.05508	11.3
55.47865	0.5
57.03431	0.8
57.07058	1.3
64.30936	0.6
67.05160	0.9
67.05496	14.1
69.03447	0.6
69.06710	1.0
69.07059	12.1
70.40969	1.5
70.41366	1.3
71.04982	1.3
71.08609	1.1
79.05051	1.0
79.05486	16.1
79.05946	0.8
81.03436	0.8
81.06567	1.0
81.07048	20.5
83.04951	2.4
83.08606	5.8
85.06519	1.1
91.05473	24.6
93.06465	1.0
93.07032	17.0
95.04928	2.8
95.08596	13.7
97.06502	3.7
97.10171	2.8
98.20773	0.5
98.97562	1.7
102.96828	0.6
103.05471	0.8
104.06298	0.5
105.07020	39.6
106.07344	1.0
107.04948	3.0
107.08589	15.4
109.06499	4.6
109.10144	8.6
111.08055	1.2
111.11684	1.3
115.05441	0.5
116.98640	0.8
117.07003	9.5
119.08571	23.9
120.08842	0.6
121.06474	2.2
121.10130	7.4
122.80149	0.6
123.08040	1.9
123.11689	2.7
125.09570	1.0
129.06981	1.7
131.08536	10.6
133.06435	0.6
133.10118	26.1
135.08020	2.5
135.11682	4.3
137.09570	2.3
137.13239	1.2
141.06958	1.2
143.08493	1.6
145.10109	11.7
147.08047	1.3
147.11674	17.2
148.12996	0.6
149.09584	5.3
149.13260	5.2
151.11230	2.8
151.14819	0.7
155.08514	1.7
157.10065	2.4
159.11662	6.4
161.09619	1.4
161.13249	5.7
163.11172	4.9
163.14786	1.6
165.12761	1.5
165.16356	0.6
169.10078	1.8
171.11691	1.8
173.13242	3.3
175.11188	0.9
175.14796	1.0
177.12743	1.6
178.83122	0.7
183.11620	2.0
187.11154	0.8
187.14853	1.1
191.14307	0.6
191.17940	0.9
193.12137	0.6
197.13231	2.2
215.14204	1.1
215.17844	0.8
219.21031	0.7
229.19493	3.2
231.08792	1.8
239.17949	5.6
247.20601	2.8
251.82283	0.6
257.18994	10.6
274.66208	0.7
275.20035	100.0
275.26859	4.8
276.20325	3.5
291.03815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03940	1.4
55.01856	1.6
55.05508	11.8
57.03415	0.9
57.07058	1.4
65.03920	1.1
66.27270	0.7
67.05501	22.2
69.03423	0.8
69.06767	0.7
69.07067	8.1
69.74691	0.7
70.90159	1.8
71.04972	2.6
73.06555	0.6
79.05486	20.3
81.07054	17.6
83.04967	2.1
83.08610	4.0
85.06528	1.3
85.13126	0.7
91.05476	32.2
93.07043	15.5
95.04972	3.0
95.08599	12.3
97.06531	2.3
97.10144	2.1
101.05904	0.6
103.05465	1.2
105.07024	48.9
107.04946	3.5
107.08595	12.2
109.06493	1.9
109.10157	7.2
111.08087	0.8
115.05441	1.4
117.07012	10.5
119.08572	33.4
121.06525	2.8
121.10145	7.0
123.08039	2.9
123.11708	1.4
125.09499	0.8
129.06996	2.4
131.08560	14.8
133.06519	0.8
133.10123	36.9
135.08066	3.0
135.11676	3.0
137.09583	2.4
141.06981	1.6
142.66776	0.6
143.08560	1.6
145.10107	11.1
147.08002	1.5
147.11679	21.4
149.09624	6.2
149.13217	1.6
151.11099	1.7
154.38930	0.7
155.08546	2.2
157.10136	2.7
159.11713	9.1
161.13235	6.8
163.11163	2.2
166.46288	0.7
167.10539	0.7
169.10156	2.0
171.11705	2.9
173.09496	0.6
173.13261	7.7
175.11119	1.6
175.14810	1.3
177.12680	0.7
183.11765	0.8
185.13226	1.2
187.11174	0.9
187.14825	1.8
189.54756	0.7
197.13287	2.9
201.12732	0.8
229.19522	2.7
233.15269	1.2
239.17944	3.9
247.20532	3.2
257.18958	6.6
275.20041	100.0
276.20517	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	277.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51996	0.6
56.96556	8.2
57.07063	1.2
57.43197	0.6
61.05887	0.6
67.32000	0.7
70.01622	3.9
71.95219	0.9
81.07033	1.6
95.08575	0.9
98.20766	0.7
98.97569	55.3
100.97179	1.4
100.97935	0.6
101.00852	1.6
109.10088	0.6
116.98605	65.8
118.98149	0.7
119.01907	11.1
120.02017	2.0
121.01636	2.5
129.85899	0.6
134.99643	50.8
137.02931	6.8
138.03084	1.0
139.02646	1.3
140.00131	1.3
142.03491	5.4
143.01942	1.0
143.03586	1.3
144.03230	1.9
149.02327	1.0
153.00694	9.3
157.03421	1.1
158.01208	2.8
159.11731	0.9
160.04506	2.3
161.02980	3.4
163.03909	2.3
168.17346	0.7
175.04469	1.9
177.00906	4.8
178.01024	1.9
179.00700	3.7
185.31200	0.8
192.98627	0.7
214.97052	0.9
217.15767	1.3
219.01961	9.1
220.02206	1.2
221.01761	3.7
223.01740	0.8
230.48793	0.8
230.93294	0.8
230.98534	1.2
234.96037	1.0
234.99747	1.6
235.16852	1.4
236.99509	1.4
240.98615	5.5
241.99295	1.0
248.94209	1.0
250.49449	1.4
250.99214	19.1
251.49263	10.0
251.99190	4.1
256.96646	4.6
257.96707	2.4
258.96402	6.5
258.99692	42.6
259.96625	0.8
259.99918	1.9
261.03052	8.7
262.00357	1.1
262.02893	3.4
262.50009	7.1
262.99979	4.3
263.02832	7.8
263.49863	2.8
264.03064	1.7
272.94272	1.5
274.97754	3.4
275.97791	1.6
276.97446	6.5
277.00742	100.0
277.07031	3.7
277.17807	2.2
277.21106	0.7
277.97760	0.8
278.00986	2.5
279.00818	1.0
281.98056	0.9
282.01157	2.2
284.99750	1.3
290.95325	2.4
294.98358	3.7
295.01694	1.0
295.08783	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	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44453	5.2
68.60069	4.5
70.85678	12.7
82.99868	4.9
97.02856	8.0
101.00886	26.5
119.01914	77.7
131.01904	15.7
133.03481	13.9
135.18416	5.2
137.02942	18.6
143.01884	22.5
145.03441	17.7
149.02977	6.0
151.04477	9.9
155.01822	5.5
157.03487	15.3
161.02948	100.0
163.04593	5.9
163.51735	4.5
171.80905	4.8
173.02986	24.3
175.04539	17.7
179.04025	4.7
185.02974	21.6
187.04541	9.2
190.98824	4.7
191.04066	6.1
197.02950	12.4
203.04024	10.3
210.69612	5.5
215.03940	7.9
245.05086	42.8
277.03183	99.6
277.07751	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44553	3.6
56.96558	37.3
57.03423	3.3
61.02900	5.1
61.79005	3.5
69.03404	10.8
70.32642	15.7
73.02892	5.2
81.03451	5.8
82.99847	3.7
84.08062	4.2
84.96024	5.6
85.02893	15.8
97.02859	20.5
98.97569	35.9
101.00855	10.4
108.48299	3.5
108.66534	3.3
109.02868	5.3
110.97579	8.3
112.72756	3.7
112.99098	4.1
116.07051	4.1
116.98589	26.2
119.01920	56.1
124.64935	3.7
127.03889	4.0
128.98587	11.5
131.00140	7.8
131.01894	9.7
133.01662	5.3
134.99641	12.2
137.02936	15.9
143.01869	26.7
144.34196	4.2
145.03470	16.9
146.99620	12.0
148.25813	3.5
149.01244	4.4
155.01862	8.8
157.03458	17.7
158.99571	7.7
161.01430	6.0
161.02945	100.0
162.99129	3.6
163.04422	4.5
165.00670	6.1
170.99673	3.8
173.02977	16.5
175.03008	4.2
175.04506	15.9
177.00667	10.0
179.03998	5.1
185.02988	13.7
187.04504	11.0
189.00716	8.0
191.03979	6.2
193.03885	4.1
197.02971	10.2
203.03993	12.3
208.04561	3.6
215.03984	4.8
219.01810	14.2
237.02750	28.8
245.05090	57.6
255.03769	4.9
259.06717	4.8
263.06128	8.7
277.03363	33.1
277.07672	96.1
295.06848	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	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03932	2.5
54.12364	0.9
55.01865	34.0
55.05259	1.4
55.05503	24.6
57.03444	1.4
57.07074	5.2
62.66848	1.0
63.91211	0.9
67.05491	34.1
67.41944	0.9
69.03407	2.4
69.07060	14.9
70.78047	2.0
70.78420	1.9
71.04967	2.3
71.08612	5.1
72.15897	1.0
74.04805	0.9
79.05480	35.7
80.03038	1.1
81.07048	39.1
83.04967	7.2
83.08610	14.9
85.06543	2.3
85.10184	1.5
91.05464	23.5
93.07029	48.8
95.04964	8.7
95.08595	28.5
97.06523	8.7
97.10143	4.0
98.20802	1.4
98.21311	1.3
99.08073	4.2
105.06364	1.6
105.07014	17.3
107.04929	1.2
107.08577	26.1
109.06508	5.2
109.10135	11.4
111.04387	1.1
111.08062	38.5
113.09600	3.6
117.06960	3.5
119.08572	13.0
121.06509	1.3
121.10127	21.3
123.08035	3.6
123.11692	4.3
125.09528	1.4
129.06978	2.7
129.73836	1.1
131.08556	6.1
133.10120	17.9
135.11668	24.9
137.09564	2.5
139.11177	1.9
143.08575	2.5
144.03972	1.3
145.10071	5.2
147.08026	1.2
147.11646	10.0
149.02361	1.3
149.09601	3.7
149.13258	13.2
151.11163	8.1
151.14787	1.2
153.09032	1.1
153.12721	2.6
155.56651	1.0
157.10106	3.0
159.11644	7.1
161.09573	2.9
161.13226	9.7
163.11133	4.6
163.14778	4.3
165.08926	0.9
165.12752	8.8
167.10606	1.7
171.11642	3.4
173.13228	2.3
175.11165	2.0
175.14822	3.2
177.12779	1.1
179.10481	1.3
179.14326	3.6
181.12289	1.4
185.13321	2.7
189.12657	2.6
189.16423	1.6
193.12198	2.4
195.13812	1.6
199.14824	2.6
207.13766	2.5
217.15889	3.4
217.19370	1.6
221.15372	2.5
231.17358	1.2
231.21048	4.2
235.16896	3.9
241.19507	3.3
243.84573	1.1
249.22108	8.0
259.20523	7.6
277.18182	5.1
277.21576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03925	4.0
55.01847	2.5
55.05507	21.2
56.96545	4.9
57.07069	2.2
65.03922	1.8
67.05160	2.1
67.05495	30.4
69.07049	13.9
70.54016	4.8
70.54352	1.4
71.04973	2.3
77.03842	1.5
79.05487	72.8
80.03868	1.5
81.07055	37.0
82.07375	1.7
83.04973	2.5
83.08602	7.2
91.04951	2.2
91.05476	28.7
93.07036	100.0
95.04977	8.5
95.08599	22.6
97.06497	2.7
97.10146	3.3
98.97555	2.9
105.07015	15.1
107.08583	46.3
109.06525	3.7
109.10141	11.1
110.06859	1.5
117.06958	3.0
119.08580	10.1
121.10133	42.8
123.11686	2.5
129.06987	2.3
131.00185	3.3
131.08549	4.6
133.10132	10.2
135.11681	45.4
143.08542	1.6
145.10104	3.2
147.03117	2.6
147.11656	5.8
149.01189	10.7
149.13255	20.6
156.03603	13.4
159.11674	3.6
161.13242	5.3
163.14792	5.7
167.02281	5.0
167.10622	1.9
167.54333	3.9
171.11575	1.8
173.13264	2.2
175.14871	2.7
185.13203	1.9
189.12762	2.6
199.14807	3.3
207.13782	1.4
217.15820	1.8
221.15388	3.0
223.33543	1.4
235.17003	3.1
241.19658	1.5
256.10040	1.8
259.20544	2.7
277.13782	19.3
277.21603	68.7
277.63998	3.3
288.97491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02378	1.1
53.03926	3.5
55.05503	15.2
57.03431	1.0
57.07068	2.4
65.63190	1.1
67.05496	32.2
69.07062	13.5
70.16326	3.5
70.16743	2.1
71.04972	1.5
79.05485	64.9
81.07047	32.8
83.04961	1.6
83.08615	5.6
85.06543	1.9
91.03243	0.9
91.05468	20.8
93.07032	100.0
95.04980	7.6
95.08600	24.4
97.06519	3.0
97.10155	3.9
98.21224	2.6
105.04424	1.4
105.07018	13.2
107.08583	47.6
109.06491	2.7
109.10141	14.4
110.64587	1.0
111.11675	1.2
117.06983	3.4
119.08554	7.9
121.10126	45.2
123.11700	3.7
126.07713	1.0
129.06953	1.2
131.08539	3.4
133.10109	11.2
135.11674	68.5
137.09579	1.9
143.08583	1.8
145.10106	3.5
147.11646	6.2
149.09598	2.1
149.13245	30.6
151.11087	1.0
157.10075	2.0
159.11685	3.8
161.13190	4.6
163.11052	1.1
163.14836	6.2
167.10608	1.3
171.11664	2.1
173.13248	2.8
175.11224	1.6
175.14818	2.7
177.12769	1.7
177.16379	1.5
181.12247	1.8
185.13196	2.3
195.13799	2.5
199.14899	1.9
203.14407	1.1
207.13860	1.4
209.15382	1.1
209.84665	1.0
213.16373	2.0
221.15271	4.6
231.17354	1.4
235.16902	4.8
241.19463	1.6
259.20575	3.9
277.21594	95.6
278.21875	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03934	3.3
55.05502	17.4
55.40615	1.7
57.07050	3.6
65.03922	2.3
66.04710	1.4
67.05163	2.8
67.05495	35.3
69.07058	15.3
69.30975	18.2
71.04972	2.2
79.05484	68.2
81.07044	35.8
83.04992	2.9
83.08612	7.4
91.05472	24.7
93.07032	100.0
95.04974	8.3
95.08595	22.7
97.06503	2.9
97.10156	3.3
98.20700	2.7
99.08086	1.6
105.04503	1.5
105.07017	15.9
107.08581	52.2
109.06509	1.9
109.10143	15.8
117.06983	3.3
119.08588	12.4
121.10127	41.8
123.11677	3.1
126.51086	1.5
131.08537	4.3
133.10114	11.2
135.11676	54.5
137.09595	2.4
143.08508	2.1
145.10098	5.2
147.11650	7.0
149.13249	19.8
154.94223	2.1
157.10095	2.8
159.11684	6.6
160.37093	1.6
161.13268	3.4
163.14772	6.8
171.11699	3.8
172.95189	3.0
173.13173	2.7
181.12253	2.8
185.13054	1.7
190.96240	2.8
195.13710	2.4
199.14810	2.9
199.22455	1.7
207.13821	2.6
217.15823	3.2
235.16875	5.0
241.19437	2.9
259.20560	3.5
270.21429	1.7
277.18423	3.8
277.21600	81.8
278.21680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.80746	1.0
53.03921	4.4
55.01855	1.4
55.05505	16.9
57.07050	1.7
65.03915	1.7
67.05171	1.6
67.05499	27.5
69.07059	15.4
70.17511	4.9
71.04977	1.5
77.03932	1.3
79.05486	80.8
81.07052	35.3
83.04974	1.2
83.08602	7.7
91.05471	28.6
93.07034	100.0
95.04965	12.6
95.08594	25.9
97.10138	2.5
104.16172	1.0
105.04481	2.1
105.07022	13.8
107.08585	47.6
109.06491	3.0
109.10145	14.0
111.08087	1.5
117.06974	3.2
119.08574	10.9
121.10135	47.0
121.11022	2.3
122.10398	1.2
123.08057	1.3
123.11703	4.0
125.09570	1.6
131.08569	2.9
133.10135	12.5
135.11679	53.9
137.09589	1.6
137.13196	1.0
143.08546	2.1
145.10088	3.5
147.11650	6.6
149.13245	24.9
157.10124	2.3
159.11664	3.1
161.13234	4.4
163.11198	2.6
163.14799	6.1
171.11668	3.7
173.13237	3.1
175.14796	3.0
177.12828	1.3
181.12160	1.9
185.13213	2.7
193.12184	1.7
195.13805	2.4
199.14796	1.8
207.13687	2.4
213.16382	1.1
221.15363	4.4
231.17384	1.8
235.16928	4.7
241.19478	1.7
259.20715	6.4
270.52551	1.1
277.21594	95.8
278.21930	2.5
288.33038	1.0
293.90771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23657	0.9
55.01864	1.0
55.05497	1.4
56.05019	2.8
57.03437	1.0
57.07066	9.1
58.06596	5.2
60.04520	1.7
60.71372	0.9
62.18024	0.8
67.05481	2.1
69.07054	2.4
69.31970	9.5
71.08617	2.5
72.23594	0.7
74.06060	3.6
79.05489	1.8
81.03408	1.9
81.07036	3.6
83.04976	0.9
86.06047	4.0
88.07079	1.6
88.07623	22.7
91.05497	1.6
93.07022	2.7
95.04964	0.9
95.08589	2.3
96.08931	1.1
97.06521	2.0
98.06885	0.9
98.97613	1.2
99.08128	0.8
100.07568	1.4
104.07084	2.6
105.06999	2.4
107.08591	1.9
109.10150	1.1
116.98573	1.2
118.08627	0.9
119.08548	1.9
121.02802	2.2
121.10143	0.9
121.24721	0.8
123.08069	0.8
131.08521	1.5
132.10162	5.1
133.10133	1.9
147.11656	1.5
149.02324	43.4
149.09573	1.9
157.10130	1.7
159.11699	1.0
162.11211	1.6
166.10744	1.9
167.03424	1.5
175.11189	1.1
186.18507	32.1
193.12219	3.2
211.13254	9.4
225.14803	1.1
230.21103	11.8
256.04922	1.2
260.10126	1.2
260.22083	1.7
278.23242	100.0
279.09616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61699	0.1
54.93864	0.1
54.98667	0.5
56.96558	13.4
57.07064	0.2
57.97350	0.4
65.81615	0.1
68.96574	0.4
69.03428	0.2
70.16737	0.6
71.95272	0.7
72.54138	0.2
74.97598	0.4
84.96022	2.0
85.02905	0.4
98.97571	100.0
99.97874	0.3
102.97073	0.4
110.97553	11.8
112.99148	0.6
116.98607	90.9
117.98962	0.3
119.01893	1.0
121.01713	0.2
124.99091	1.0
127.00712	0.1
128.98592	24.1
131.00145	1.2
131.01804	0.2
134.99640	53.7
136.00047	0.3
137.00063	0.3
137.02872	0.3
140.00153	2.5
140.98572	1.0
143.00146	6.0
143.01933	0.3
144.98122	0.2
145.01711	0.3
146.99635	23.7
149.00175	0.2
149.01193	1.2
149.02348	1.5
150.99112	0.3
152.00168	0.6
153.00691	8.7
153.04213	0.3
155.00156	0.3
157.01743	0.5
157.03413	0.2
158.01239	3.0
158.99632	34.2
160.00130	0.2
161.01202	6.8
161.02887	0.6
162.99168	0.6
165.00694	4.0
168.00127	0.1
170.01236	1.1
170.99628	7.4
173.01196	0.5
173.02972	0.5
174.99127	0.5
175.02815	0.2
176.02287	0.4
177.00690	90.3
178.01003	0.7
179.02315	0.7
184.02797	0.3
189.00688	23.9
190.01074	0.3
191.02286	0.4
193.00154	0.3
195.01747	12.4
200.02295	5.3
201.00783	0.8
201.02467	0.2
203.04057	0.2
204.01303	0.2
206.51938	0.3
207.01741	14.3
208.02065	0.3
212.02335	1.2
213.00728	0.2
218.03313	0.3
219.01740	10.2
220.02002	0.2
221.05084	0.4
225.02925	0.9
230.03329	1.0
237.02791	24.3
239.01714	0.3
239.06064	0.3
249.02736	1.1
255.03851	26.0
256.04285	0.4
257.02554	1.2
260.04407	1.4
273.04926	1.3
274.03159	0.3
278.05460	1.0
279.03830	13.6
297.04913	8.8
297.08261	0.4
298.05157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05493	1.6
56.96284	1.0
56.96558	18.5
57.03423	2.8
57.06816	0.9
57.07071	12.7
58.99573	0.7
60.04499	0.6
61.02923	4.1
64.95037	0.7
65.03910	1.3
67.05484	2.5
69.03431	5.2
69.07056	1.4
69.34715	1.3
69.35126	6.2
70.06570	2.5
71.04972	3.2
71.95273	0.7
73.02910	4.5
74.06040	0.7
74.46225	0.7
79.01694	0.6
79.05475	2.9
81.03391	3.2
81.07040	6.2
83.04944	0.8
84.96012	2.1
85.02895	14.4
86.09682	1.2
87.04445	1.9
88.99103	1.0
91.03957	1.4
91.05447	2.6
93.07033	3.4
95.04974	1.1
95.08598	4.0
97.02895	8.7
98.97574	63.0
99.04445	2.5
102.96857	1.4
105.07028	5.2
107.08588	4.7
109.02831	1.7
109.10145	1.7
110.97559	11.0
111.04428	1.0
112.99095	0.9
115.02409	2.8
116.07099	2.1
116.98610	62.3
117.05498	1.7
119.01897	3.8
119.04877	0.9
119.08575	3.9
120.97881	1.5
121.01626	1.4
121.02831	3.8
121.10113	2.9
124.99150	0.7
127.03887	4.2
128.98593	22.7
131.00160	2.3
131.01866	2.4
131.08549	1.7
133.03458	6.0
133.10129	2.3
134.03537	1.0
134.99646	44.9
135.11670	1.1
138.98921	1.0
139.03975	0.7
140.00185	1.3
143.00133	4.1
143.01860	1.4
145.01680	0.8
145.03497	1.3
145.04942	1.8
145.10066	4.2
146.99640	24.7
147.04408	2.8
147.31229	0.7
149.02322	100.0
149.09766	0.8
149.13197	0.8
152.00183	0.9
153.00665	8.0
153.05804	1.2
155.01888	1.0
156.04955	1.0
157.03471	1.0
158.01236	2.0
158.99631	25.1
159.04987	1.1
159.11737	4.0
160.04778	1.0
161.01257	4.9
161.02902	3.1
161.13199	4.1
162.06355	1.0
163.02698	1.8
163.03862	1.6
165.00745	4.1
167.03395	2.5
168.03619	0.9
168.55121	1.2
169.04460	3.3
170.01230	1.1
170.05051	3.3
170.99660	8.6
171.01411	2.0
173.01320	0.8
173.02991	2.1
173.13283	1.1
175.02707	1.1
175.04482	0.9
177.00699	70.6
178.01001	0.9
179.02219	0.8
184.53210	0.7
189.00702	29.2
189.02402	1.8
190.98714	0.8
191.02368	0.9
193.01833	0.9
195.01787	8.7
200.02328	5.5
201.00693	1.2
201.16397	2.7
204.02805	1.1
205.08557	1.3
207.01761	23.5
207.03328	1.1
209.01276	1.4
212.02310	1.1
212.04102	1.4
213.00645	0.9
219.01697	11.2
219.17499	3.6
220.04161	0.8
221.03041	1.2
221.05008	2.1
225.02806	1.7
227.02267	0.8
230.05243	1.4
231.01892	0.8
233.01419	2.3
237.00739	0.8
237.02814	15.2
249.02856	1.9
251.02496	6.7
255.01625	1.3
255.03883	13.5
256.02963	6.5
260.04498	1.6
261.02548	1.6
265.91125	0.9
273.02643	3.7
274.04028	6.5
278.96896	3.2
279.00848	1.4
279.03827	14.5
279.07190	2.4
279.09494	1.5
279.13354	1.0
288.05139	1.0
296.94763	0.8
296.97824	2.6
297.04837	6.7
303.05368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62587	0.9
56.96560	9.2
60.25241	1.0
70.13309	4.0
76.26833	1.1
84.96016	1.2
85.02859	2.0
98.97572	100.0
110.97556	18.7
116.98605	79.1
119.01845	1.2
120.20222	1.2
128.98592	32.0
134.99648	38.8
140.00145	1.8
143.00122	2.6
146.99640	26.9
149.02287	10.3
153.00687	4.0
153.04161	1.7
158.01277	1.2
158.99638	33.6
161.01230	2.2
165.00685	3.5
170.99628	12.0
177.00693	96.0
180.33681	1.1
189.00699	42.3
195.01752	14.0
200.02263	4.2
207.01732	32.0
212.02287	1.7
219.01700	9.2
219.05214	1.1
225.02824	2.5
230.03252	1.2
237.02803	15.8
249.02837	3.2
255.03821	15.1
259.42172	1.1
267.03885	1.5
279.03867	16.0
297.04822	7.5
297.08246	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05504	19.4
57.07067	14.8
58.99578	7.2
62.60122	0.4
64.15994	0.4
65.03921	1.0
67.05494	3.2
69.73336	1.3
69.73766	2.1
72.08120	0.7
73.01124	0.5
76.02220	2.9
76.03987	1.8
77.12038	0.4
79.05480	1.3
81.07043	3.8
83.08608	15.2
83.53421	0.5
85.02903	0.6
86.99034	7.0
88.02197	1.8
89.06003	0.7
93.07040	1.1
95.04965	0.7
95.08592	2.2
98.97554	0.5
101.09651	1.1
105.07029	1.5
107.08567	1.7
109.10135	1.4
115.05720	0.5
116.01661	27.4
116.98602	0.7
117.07011	0.8
119.04922	1.4
119.08546	0.8
121.02855	3.2
121.10114	1.0
123.04426	0.6
135.11639	0.5
138.12698	0.5
141.07129	0.6
143.08557	0.5
144.01122	12.5
145.10115	1.4
147.04393	4.2
149.02322	100.0
150.02718	0.5
159.08389	3.9
159.11658	1.0
161.13214	0.9
162.02180	53.0
167.03381	2.8
177.00647	0.9
190.04823	0.5
201.16451	0.9
205.08591	1.1
219.17575	0.6
244.09991	1.4
262.11038	16.0
279.09039	1.1
279.13693	3.1
279.23199	1.1
280.09402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1951
Annotation	Fenoksan
Peak:m/z	Relative Intensity
53.03928	0.9
55.01854	1.3
55.05503	3.7
57.07070	14.4
58.07375	0.4
65.03923	1.4
67.05157	0.5
67.05501	8.4
67.44217	0.4
69.03409	1.5
69.07065	2.8
69.44901	3.0
71.04981	0.6
71.21409	0.4
79.05486	4.9
81.03414	0.4
81.07047	9.9
83.04974	1.3
83.08598	1.3
91.05469	5.1
93.03371	0.4
93.07033	7.4
94.07351	0.5
95.04927	2.5
95.08590	7.4
97.06532	1.1
97.10143	0.9
98.97563	0.4
105.07015	6.1
107.04914	2.1
107.08575	5.3
109.06508	1.8
109.10148	4.3
111.08051	0.6
111.11703	1.0
117.06992	1.8
119.08558	5.1
121.02853	4.1
121.06491	2.1
121.10120	2.8
122.06779	0.4
123.08041	1.6
123.11669	1.8
125.09605	0.5
128.10811	0.4
129.07011	0.7
131.08549	4.4
133.06522	0.6
133.10127	3.6
135.08070	1.2
135.11668	1.8
137.09599	4.0
143.08516	1.2
145.06470	0.6
145.10097	4.5
147.08020	1.5
147.11670	1.7
149.02324	100.0
149.09564	2.3
149.13203	1.2
150.02663	1.8
151.11130	0.5
155.08583	0.6
157.10114	1.0
159.08060	1.4
159.11681	4.1
161.09587	1.2
161.13219	2.4
163.11137	1.2
167.03378	3.4
169.10085	0.6
173.09593	0.9
173.13222	0.9
175.11234	0.5
177.12755	0.6
183.11623	0.7
185.13293	0.5
187.11139	0.7
187.14748	0.5
190.05009	1.8
191.18015	0.6
201.12747	0.5
201.16418	2.1
205.08595	1.2
209.13306	0.5
219.05624	0.9
219.13847	0.6
219.17375	1.7
225.16446	0.9
233.19016	0.7
243.17487	3.5
261.18466	25.4
262.18729	0.5
279.09238	1.2
279.19406	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03932	1.2
55.01860	0.9
55.05506	8.0
56.05846	0.5
56.96554	0.7
57.03433	1.1
57.07073	14.7
60.95856	0.7
65.03944	3.1
67.05502	75.6
68.05825	1.1
69.03410	0.6
69.07064	9.0
71.04988	1.8
71.08639	0.8
71.63464	1.0
79.05486	11.6
80.05821	0.5
81.03432	0.6
81.07053	79.3
82.07396	1.5
83.04971	1.6
83.08614	5.1
85.06519	1.2
86.09718	0.6
87.04504	0.5
91.05485	5.3
92.05773	0.5
93.07043	14.7
93.07621	1.0
94.07392	1.4
95.04967	1.5
95.08601	66.5
96.08923	1.7
97.02881	1.3
97.06527	1.4
97.10192	2.7
105.07025	5.3
107.07864	0.7
107.08594	10.3
108.08942	0.7
109.06533	1.6
109.10149	36.0
110.10485	1.3
111.08043	0.6
111.11737	0.7
117.07017	1.3
119.08567	5.0
121.02864	4.1
121.06480	0.6
121.10146	8.6
122.10531	0.6
123.08066	1.5
123.11699	20.6
125.09621	0.6
131.08580	4.6
133.10123	4.8
133.68040	0.5
134.99492	0.7
135.08075	0.9
135.11688	4.4
136.12009	0.5
137.09648	0.8
137.13257	7.6
138.13600	0.8
138.53023	0.7
143.08595	0.5
145.10112	5.4
147.11685	2.2
149.02335	100.0
149.09604	0.9
149.13208	2.5
150.02682	2.9
151.11201	2.3
151.14874	2.4
153.00526	2.1
158.03279	2.0
159.11674	4.7
161.13237	4.4
163.11177	1.7
163.14838	2.6
165.12706	1.0
165.16409	0.7
167.03372	3.2
167.10713	1.0
169.54068	1.3
171.01576	1.0
173.13284	2.3
175.14807	0.8
177.12782	1.5
177.16441	0.6
179.14267	0.8
181.12254	1.1
187.14798	2.1
190.04999	1.8
191.14359	1.1
195.13777	2.3
201.16379	3.3
205.08533	1.5
205.15883	0.9
209.15305	2.5
219.05788	1.2
219.17473	2.2
219.21060	0.6
223.09578	0.7
223.14954	0.6
223.16780	2.4
237.18459	1.1
240.09982	0.7
243.21045	2.6
261.22171	4.5
278.64120	1.6
279.09460	1.2
279.13345	3.2
279.23199	43.6
279.28082	1.3
279.63651	0.7
280.23495	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03931	0.8
55.05500	7.8
57.07077	3.1
60.88372	0.6
65.03922	2.6
67.05494	100.0
68.05828	0.7
68.54057	0.5
69.07056	7.8
69.58707	4.0
71.04999	1.0
79.05481	10.6
81.07044	95.5
82.07381	1.3
83.04969	1.1
83.08607	4.8
85.06527	1.4
91.05458	4.0
93.07029	11.3
95.04986	0.7
95.08593	79.5
96.08936	1.3
97.06530	0.6
97.10172	2.6
98.21498	0.6
98.52622	0.6
99.08086	0.6
105.07018	2.4
107.08580	7.5
109.06520	1.2
109.10140	23.6
110.10526	0.7
111.08073	1.2
111.11716	0.9
117.07008	1.4
119.06409	0.5
119.08581	2.4
121.10123	5.5
123.08054	1.4
123.11692	14.8
127.07584	0.9
131.08578	4.5
133.10114	2.6
135.08067	1.0
135.11655	4.8
137.09627	1.1
137.13237	10.9
141.09135	0.7
145.10114	2.4
147.11658	2.7
149.02310	10.2
149.09560	1.4
149.13226	2.6
151.14799	4.0
153.09035	0.7
159.11647	2.5
161.13277	1.3
163.11140	1.0
163.14835	1.4
165.12766	0.7
167.10623	1.3
173.13257	6.3
177.12743	1.8
177.16389	0.8
179.14243	1.0
181.12228	1.8
187.14798	2.4
191.14316	1.7
195.13751	2.6
201.16364	0.8
205.15860	0.8
209.15302	3.4
223.16917	2.5
237.18488	0.7
243.21068	2.1
261.22116	2.5
279.23148	25.6
280.23672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.45845	0.5
53.03937	0.8
54.29013	0.5
55.05509	5.2
57.07068	2.1
65.03940	1.7
67.05499	72.6
68.05833	0.5
69.07067	7.8
69.62174	0.6
70.95802	0.9
70.96133	0.8
71.04976	0.6
76.89809	0.4
79.05484	5.3
81.07050	83.1
81.44538	0.5
82.07384	1.4
83.04971	0.9
83.08615	5.3
85.06546	1.5
91.05487	2.0
93.07030	6.7
95.04965	0.7
95.08598	71.5
96.08921	0.8
97.06528	1.6
97.10161	4.0
101.05911	0.5
102.05217	0.6
105.07003	2.3
105.74593	0.4
106.75795	0.6
107.08580	4.9
109.10146	57.3
110.10489	0.7
111.08142	0.7
111.11694	1.6
113.05894	0.5
117.06990	0.7
119.08567	2.3
121.10125	4.6
123.08078	1.4
123.11695	44.9
124.12007	0.8
125.09647	0.6
127.07566	1.3
131.08583	2.1
133.10123	2.8
135.11682	3.6
137.09593	2.0
137.13246	17.9
139.11096	0.7
141.09119	1.2
145.10103	1.9
147.11665	3.3
149.02335	7.5
149.09604	1.5
149.13217	2.8
151.11211	1.9
151.14778	5.6
153.09158	0.5
153.12733	0.6
156.84796	0.5
159.11684	3.3
161.13246	3.1
163.11177	0.9
163.14835	2.9
165.12752	2.1
165.16412	1.1
167.10646	1.5
173.13255	4.9
175.14749	0.8
177.12726	2.2
177.16394	1.5
179.14305	2.1
181.12234	2.4
183.13692	0.5
187.14824	3.8
191.14284	2.0
194.10455	0.5
195.13791	3.3
201.16423	0.7
205.15833	1.9
209.15329	4.4
219.21065	0.8
223.16927	5.3
237.18413	3.2
243.21078	3.9
261.22110	7.5
279.23160	100.0
280.23441	3.9
280.84625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03937	1.2
55.01871	0.7
55.05501	6.9
57.03454	0.6
57.07068	14.2
65.03918	2.3
65.49731	0.4
66.55853	0.5
67.05495	73.4
68.05825	0.6
69.07051	8.6
71.04977	1.3
71.23223	1.2
78.46583	0.5
79.05479	10.0
81.07047	78.7
82.07373	0.7
83.04972	1.2
83.08610	4.5
85.06537	1.8
91.05467	4.9
93.03380	0.6
93.07033	11.8
95.04967	1.5
95.08594	64.5
96.08929	1.2
97.06499	1.5
97.10175	2.4
105.07024	4.7
107.08578	8.2
109.06513	1.4
109.10140	38.2
111.04403	0.6
111.08077	1.1
111.11681	1.0
113.05977	0.5
113.09615	0.7
113.36607	0.7
115.05667	0.5
117.07014	1.6
119.08553	4.4
121.02847	3.9
121.06511	0.9
121.10126	7.4
123.08056	1.2
123.11694	19.8
125.09601	0.6
131.08554	4.0
133.10118	3.9
135.08049	1.2
135.11685	4.1
137.09592	1.2
137.13251	7.0
145.10100	4.2
147.11676	2.8
149.02322	100.0
149.09590	1.3
149.13239	2.8
150.02699	2.6
151.11153	1.3
151.14745	2.3
153.09099	0.4
159.11699	2.9
161.13205	3.3
163.11125	1.9
163.14828	1.5
165.12726	1.7
165.16360	0.9
167.03371	3.2
167.10634	0.8
173.13272	2.5
177.12715	1.2
177.16391	1.2
179.14264	0.6
181.12213	1.1
187.14801	2.0
190.04906	1.4
191.14319	0.9
195.13774	1.8
201.16408	2.2
205.08600	1.0
205.15826	0.8
209.15379	2.6
219.17407	1.8
219.21053	0.8
223.16910	2.8
237.18394	1.1
243.21083	3.7
261.22144	4.7
279.09494	1.1
279.19632	5.2
279.23141	40.7
280.23407	1.8
280.26129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95684	2.4
55.05512	3.8
57.03431	3.7
57.07071	83.9
60.74695	2.3
63.04483	33.7
67.05504	3.7
69.03429	15.0
69.07087	3.2
71.15469	4.1
71.15811	2.9
79.05488	3.0
81.03417	6.5
81.05537	3.0
81.07045	6.8
83.04969	3.0
85.02905	36.1
91.05470	5.9
93.07049	5.0
95.04982	3.8
97.02873	6.3
97.06580	2.5
98.97549	3.5
99.04445	2.2
101.09658	3.2
105.07043	6.6
107.08592	4.7
109.02863	4.9
109.06519	3.0
109.10166	4.6
116.98648	3.4
117.07014	4.8
119.08558	4.6
119.10689	100.0
126.12852	2.3
127.03913	10.2
131.08589	4.1
134.99617	2.7
135.08044	2.7
137.05957	3.2
137.09644	2.6
147.08109	2.7
150.02719	4.5
151.02870	3.0
157.06596	3.2
162.89117	2.7
175.87955	2.3
221.08029	3.0
242.78505	2.6
251.10753	2.5
263.09232	3.5
264.15985	6.9
299.06238	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.49604	1.0
50.65124	1.1
51.02372	1.2
53.03930	7.4
54.26054	1.1
54.60598	1.0
55.01861	4.5
55.05505	32.3
56.96564	1.3
57.03434	30.9
57.07056	2.7
65.03928	4.3
67.05498	84.3
69.03408	2.8
69.07062	18.5
70.95243	1.6
70.95538	1.3
71.04976	4.2
72.08148	43.3
73.06550	1.8
77.03936	1.2
79.05486	100.0
80.05009	10.1
80.05775	1.2
81.03410	13.5
81.07050	61.6
83.04973	34.9
83.08610	13.0
85.02893	1.8
85.06537	4.1
91.05473	70.5
92.05798	1.2
93.07034	76.7
95.04961	29.8
95.08598	39.9
97.02864	2.7
97.06550	7.3
97.10155	7.0
98.20962	1.6
98.97533	1.3
99.08071	1.9
105.07020	50.5
107.04953	8.2
107.08579	25.6
109.06525	7.8
109.10139	8.1
111.08090	2.6
115.05413	1.7
117.07018	10.5
119.08573	34.4
119.09431	1.8
121.06460	3.6
121.10118	5.7
122.09673	9.5
123.08063	6.7
123.11681	1.3
125.09624	1.7
127.07524	2.9
128.06221	3.1
129.06993	17.9
131.08539	3.1
133.06494	1.8
133.10129	14.6
134.09650	6.3
135.07942	1.1
135.11665	3.0
139.07518	1.3
141.09125	1.5
143.08551	9.1
145.10092	13.1
147.08018	3.0
147.11673	41.5
156.09335	1.5
156.61502	1.2
159.11711	1.2
161.09590	4.8
161.13248	16.1
163.11130	1.4
165.09245	1.3
171.11656	33.3
172.11963	1.3
179.14316	1.5
189.12706	13.9
192.13876	6.0
207.13799	17.6
209.31477	1.1
210.14894	12.1
246.18448	4.9
263.21118	1.8
264.19547	20.1
272.14575	2.3
281.15134	5.1
281.17444	63.1
281.22202	40.0
282.17752	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01847	4.0
55.05256	1.9
55.05505	24.0
56.96548	6.3
57.03428	18.1
57.07057	4.9
64.89032	1.2
65.03920	5.9
67.05499	49.0
68.15793	1.2
69.03414	3.9
69.06718	1.6
69.07059	15.0
69.72618	1.4
70.77738	3.9
70.78079	1.4
71.04959	4.5
73.06546	2.2
75.62779	1.4
79.05487	65.7
79.69457	1.4
81.03401	10.0
81.07050	46.9
83.04976	24.7
83.08601	8.1
84.96051	1.8
85.02887	3.2
85.06519	2.1
87.04438	2.1
91.05469	100.0
92.05795	4.0
93.06458	3.1
93.07034	49.2
95.04961	21.2
95.08592	30.5
97.02875	3.0
97.06523	6.5
97.10138	3.9
98.97565	5.0
99.04444	1.5
99.08077	2.4
105.07019	37.0
107.04959	16.2
107.08584	20.8
107.17491	1.4
108.76359	1.5
109.06522	8.7
109.10133	9.7
111.08035	2.0
111.92722	1.3
116.98600	5.1
117.06979	8.5
119.04926	1.6
119.08575	23.6
121.06507	3.5
121.10105	5.9
123.08034	5.6
123.11669	2.5
128.98575	1.7
129.07001	11.2
131.08528	5.5
133.06508	1.7
133.10107	13.0
134.99658	3.8
135.08006	3.4
135.11662	1.8
137.09660	1.5
138.79858	1.5
143.00148	2.0
143.08546	8.4
145.10098	9.8
146.99625	3.7
147.08025	4.6
147.11662	29.2
149.02324	1.9
150.02693	3.1
151.02834	3.7
153.00728	1.5
158.99590	2.2
159.11682	2.0
161.01208	3.1
161.09619	8.3
161.10811	1.3
161.13272	11.7
163.03915	4.3
163.11201	2.7
165.09151	1.4
165.14999	1.6
171.11681	21.8
177.00682	3.8
189.12726	9.2
200.02216	1.7
203.02342	2.0
203.10612	2.1
207.13821	10.7
217.12140	1.5
219.01814	1.5
225.14948	1.6
226.76727	1.4
238.06476	1.4
263.16486	2.9
272.14413	1.7
281.15021	2.9
281.17459	44.4
281.22235	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.68644	1.6
53.03931	7.3
55.01867	4.2
55.05250	3.3
55.05504	34.7
57.03434	30.3
57.07064	3.4
61.36262	2.0
65.03928	3.2
67.05499	81.2
69.03423	3.1
69.07060	16.1
69.44199	4.5
69.44601	13.7
71.04978	3.2
73.06524	3.0
79.05487	100.0
81.03414	12.6
81.07050	57.4
83.04979	35.9
83.08612	9.1
85.06541	4.0
91.05472	70.8
93.06459	3.9
93.07034	74.9
95.04958	28.1
95.08591	38.1
97.02856	2.2
97.06499	7.1
97.10138	4.4
98.21015	8.6
98.21606	1.9
104.30505	2.1
105.07024	55.3
105.27809	1.9
107.04951	11.1
107.08589	25.7
109.05831	2.0
109.06463	9.7
109.10131	5.6
111.08022	3.2
113.93578	1.8
115.05444	1.9
117.06995	8.9
119.08569	30.0
121.06489	6.0
121.10157	6.0
123.08062	11.5
127.07517	4.8
128.06200	2.1
129.06990	18.1
131.08517	3.5
133.10115	15.5
135.11708	2.5
143.08549	9.4
145.10114	11.9
147.08061	3.8
147.11673	47.6
161.09599	6.3
161.13219	20.6
171.11665	36.8
179.14297	2.2
189.12767	12.9
207.13751	15.7
212.51216	1.9
264.07477	1.7
281.17441	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03925	6.3
55.01855	4.2
55.05259	2.0
55.05504	32.8
57.03181	2.5
57.03430	32.4
57.80771	1.6
58.54760	1.7
65.03912	2.9
67.05495	83.8
69.03414	1.9
69.07056	13.2
69.81561	8.5
69.81982	3.5
71.04975	3.1
72.16065	1.8
73.06519	2.6
73.17065	2.0
79.05482	100.0
80.47340	1.8
81.03407	15.6
81.07047	69.5
83.04973	38.0
83.08598	10.3
85.06527	2.8
91.05466	72.3
93.07029	71.7
93.07620	3.8
95.04953	33.5
95.08591	43.8
97.02899	1.7
97.06496	5.9
97.10144	7.7
98.20762	1.9
99.08080	2.0
105.07011	50.9
107.04929	9.8
107.08585	24.9
109.06509	11.6
109.10125	7.0
111.08088	2.4
116.95763	1.5
117.06991	10.3
119.08565	33.6
121.06480	3.9
121.10116	5.2
123.08073	9.0
127.07510	2.1
128.06236	2.9
129.06996	18.0
131.08551	5.2
133.10092	14.0
137.14987	1.6
143.08533	10.6
144.55788	1.7
145.10109	10.6
147.08026	4.2
147.11659	45.8
161.09578	7.0
161.13232	19.5
171.10240	2.5
171.11682	36.6
189.12694	17.3
207.13786	19.2
281.17432	75.2
294.41840	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.3
55.01866	7.7
55.05508	44.5
57.03426	28.9
57.07061	4.3
60.47039	3.0
62.62888	3.7
65.03938	4.0
67.05499	88.6
69.07060	13.2
70.68053	11.8
71.04967	6.9
74.73405	3.7
79.05486	100.0
81.03401	19.3
81.07047	70.4
83.04977	38.9
83.08601	13.0
85.37298	3.2
89.94012	3.4
91.05472	67.1
92.62000	3.5
93.07037	81.6
95.04967	29.9
95.08599	42.4
97.06541	8.0
97.10186	6.2
105.07020	57.7
107.04901	8.0
107.08585	28.9
109.06502	6.5
109.10150	12.8
110.64742	3.5
117.07001	15.1
119.08572	37.2
121.06511	4.3
121.10120	9.6
123.08080	8.5
128.33186	3.9
129.06990	17.0
131.08553	3.3
133.10133	15.3
143.08588	14.3
145.10115	12.6
147.08020	7.2
147.11667	51.1
161.09589	6.4
161.13196	18.6
171.11676	36.7
179.14290	4.0
189.12711	10.7
207.13728	22.7
281.17432	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2472
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.13187	3.5
55.05259	4.8
55.05505	59.6
57.07070	33.9
67.05494	48.1
69.07061	100.0
70.88460	11.7
71.08616	16.4
79.05494	17.4
81.07047	65.0
83.04954	4.5
83.08613	77.2
85.06528	9.5
85.10170	6.0
91.05447	18.9
93.07048	28.8
95.08605	64.2
96.38429	3.7
97.06490	18.2
97.10157	54.1
105.07023	28.1
107.08587	30.7
109.06499	4.2
109.10155	36.8
111.08094	9.2
111.11691	25.0
119.08550	24.4
121.10101	22.9
123.08031	4.0
123.11700	18.0
125.13269	7.1
133.10121	23.5
133.89661	3.7
135.11673	10.9
137.09612	9.6
137.13231	6.0
139.11087	6.7
147.11662	20.2
149.13284	15.2
151.02840	3.7
151.11200	8.9
151.14809	5.5
161.13252	18.2
163.14804	9.8
165.12793	8.6
165.16345	6.9
167.14275	5.2
175.14799	14.8
179.14250	9.5
179.18022	5.4
189.16306	10.0
193.15863	7.8
197.13271	7.8
213.12599	5.5
221.13197	5.1
221.22682	10.8
235.14787	4.5
245.22636	45.0
263.17947	5.7
263.23676	43.3
265.12271	5.2
281.18970	47.6
282.15063	4.3
282.28146	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	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85163	0.9
55.01861	1.5
57.03423	4.1
57.07073	1.3
61.02915	9.4
69.03418	16.9
71.04981	1.6
71.12722	3.2
73.02901	5.2
80.45860	1.0
81.03402	6.9
84.86871	1.2
85.02893	100.0
85.06534	26.9
87.04446	2.5
91.03934	10.9
97.02875	21.0
97.06520	1.1
99.04444	5.0
109.02872	8.2
115.03955	2.1
127.03898	29.0
145.04938	64.1
161.15804	1.2
163.06009	23.2
229.10600	7.1
237.55989	1.6
257.78412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30916	1.1
55.05502	3.3
56.96547	1.4
57.03440	1.2
57.07061	4.4
65.03933	1.9
67.05494	3.2
69.07064	5.4
69.69534	7.7
70.06594	2.1
71.04976	1.0
71.08628	2.3
79.05481	3.1
81.07049	4.3
83.04972	2.3
83.08597	4.8
84.08141	1.4
85.02866	1.2
89.06017	5.8
91.05478	13.5
93.07027	2.8
93.14953	1.0
95.04990	1.6
95.08604	3.4
97.06513	2.5
97.10175	2.6
98.21005	3.6
99.08093	1.1
101.06105	1.1
105.07005	1.9
107.04932	2.8
107.08583	1.9
109.10090	1.3
110.26852	1.1
116.34689	1.0
117.06975	1.5
119.04939	24.9
119.08650	1.0
121.02876	2.4
121.06483	1.3
121.10109	2.5
123.04416	1.6
127.11183	1.0
131.08557	1.1
133.08560	2.8
133.10095	1.4
134.99661	1.3
135.11659	2.1
138.09129	7.3
145.10085	1.6
147.04396	100.0
148.04755	3.3
149.13155	1.2
159.11688	1.6
163.03908	1.6
193.65793	1.2
197.11613	1.1
205.04968	1.2
209.10576	1.1
242.07867	1.2
247.24223	1.2
271.28394	1.0
283.05981	2.8
283.10635	6.4
283.20374	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40808	0.4
67.05499	0.5
68.50348	0.4
69.07040	1.0
70.94716	1.5
74.91592	0.5
79.05492	0.9
81.07050	0.7
91.05450	0.7
93.07040	1.2
95.01981	0.4
95.08558	1.1
103.76857	0.4
107.08608	0.9
131.89058	0.4
149.13344	0.4
163.11226	0.9
171.34509	0.5
187.08138	1.1
195.08131	0.5
209.92337	0.5
220.95572	0.4
227.12779	1.1
233.11586	3.0
250.32994	0.5
251.11134	2.1
259.14090	0.4
265.14102	1.3
269.12354	7.3
283.15143	100.0
284.15485	1.5
301.14957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20875	1.8
55.01860	5.0
55.05505	14.1
57.03422	10.7
57.07060	3.3
67.05494	17.3
69.03424	1.6
69.07062	10.6
70.05235	7.2
71.04960	2.5
71.08636	1.8
79.05479	25.5
81.03423	2.9
81.07043	22.4
83.04969	4.9
83.08620	11.0
85.06569	2.0
89.06049	3.0
91.05456	7.3
93.07037	36.3
95.04961	7.9
95.08596	36.3
97.02859	3.0
97.06502	5.6
97.10171	3.1
98.21445	2.2
99.04404	2.8
105.07002	10.4
107.04931	9.7
107.08595	23.1
109.06511	3.3
109.10117	2.9
111.04394	2.6
111.08007	1.9
117.07024	8.1
119.08579	11.6
121.06493	6.4
121.10148	16.1
125.06021	2.9
130.07751	2.7
131.08577	2.7
133.08595	2.3
133.10138	3.0
135.08080	3.2
135.11676	44.1
143.08571	1.8
145.10118	25.2
147.07996	2.9
149.13322	2.0
151.11317	2.0
163.11169	49.7
164.11577	1.8
173.03253	1.7
173.09589	2.8
181.12216	13.5
191.10712	2.8
206.08826	1.9
209.11700	2.9
227.12747	100.0
241.14394	2.5
263.26260	1.7
283.15359	39.2
283.20554	5.5
302.58276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.44730	2.9
53.03933	6.0
55.01871	23.6
55.05506	48.7
57.03183	3.5
57.03434	44.9
57.07061	5.3
59.04984	7.6
67.05501	31.0
69.07061	16.2
71.04972	10.6
71.08598	4.2
79.05489	47.1
81.03416	18.6
81.06629	3.7
81.07053	39.3
83.01335	28.2
83.04974	28.7
83.08605	27.4
85.02333	2.6
85.02869	9.5
85.06522	4.7
89.06026	6.8
91.05475	31.1
93.07036	62.0
95.04442	2.5
95.04954	18.3
95.08597	26.5
97.02906	5.7
97.06528	12.7
99.04450	6.8
105.07031	20.4
107.04965	18.2
107.08585	31.1
109.06540	14.1
109.10125	7.8
111.04444	7.2
111.08066	3.6
113.02424	2.4
117.06999	15.0
119.08587	17.0
121.06461	8.4
121.10133	17.4
123.08086	19.8
125.05999	6.0
125.09608	5.9
129.06985	3.8
130.07787	3.7
131.08562	10.5
133.10089	7.8
135.08113	4.1
135.11685	31.9
145.10109	35.4
149.13211	2.7
153.12737	6.9
155.08501	2.7
163.11166	58.8
173.09523	7.9
181.12218	15.3
191.10660	10.4
209.11668	15.6
227.12802	17.6
241.14363	6.7
283.15359	100.0
283.20483	6.4
283.23892	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43411	0.6
52.89762	0.6
53.03933	1.6
55.01855	4.5
55.05499	9.7
55.39304	0.7
57.03427	8.9
57.07059	2.0
62.24155	0.7
62.98617	1.0
65.03931	1.0
66.44225	0.8
67.05161	1.2
67.05491	15.3
67.55840	0.7
68.15208	0.7
69.03411	5.2
69.07059	8.7
71.04984	4.0
71.08599	1.1
71.61591	0.9
72.93767	2.1
73.02908	1.3
76.65496	0.6
77.03896	0.8
79.05479	22.0
81.03422	3.6
81.07047	19.7
83.04969	4.3
83.08601	8.8
85.06521	1.7
90.94785	0.8
91.05461	9.3
93.03387	1.0
93.07027	30.0
95.04955	8.8
95.08589	34.8
96.08909	0.9
97.02857	3.4
97.06487	4.6
97.10165	2.2
98.97559	1.9
99.04438	4.2
99.18764	0.7
103.05464	1.4
105.07015	7.0
105.47215	0.6
107.04951	9.2
107.08575	25.8
109.06504	3.4
109.10146	4.1
111.04442	1.7
111.08049	2.5
115.05492	0.8
116.98647	0.9
117.06992	8.0
119.08569	9.8
121.02864	2.8
121.06497	4.8
121.09280	1.3
121.10121	13.3
123.08106	1.1
123.11674	1.5
125.05984	3.7
125.09604	1.1
130.07745	1.9
131.04910	2.4
131.08543	2.5
133.10104	3.9
135.08058	2.5
135.11671	39.6
137.05922	1.6
139.07503	1.9
142.07747	0.9
143.08514	1.4
145.06468	1.2
145.10103	25.5
147.11662	1.0
149.09576	0.8
149.13249	1.7
151.07596	0.7
151.58813	0.7
153.06915	0.9
153.12691	1.2
155.08508	1.1
159.11641	1.0
161.09578	2.8
163.11156	49.4
164.11510	0.9
167.08582	0.9
172.34413	0.7
172.98944	1.0
173.09601	2.1
175.11214	0.7
177.06914	0.8
181.12206	11.6
184.98842	0.9
191.10573	0.8
193.08546	0.9
195.07991	2.3
201.12906	0.7
201.16338	0.8
209.11728	1.4
223.07608	1.8
227.12738	100.0
228.13094	1.3
237.05414	0.8
237.09052	0.8
240.07690	1.4
247.16908	1.3
255.09999	1.3
258.64941	2.4
264.64828	1.5
265.05151	2.2
265.14499	0.7
268.07281	0.9
273.65491	3.6
283.06177	11.4
283.09665	9.9
283.15326	37.5
283.20517	3.8
284.06189	0.7
301.07251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01859	4.0
55.02102	0.8
55.05505	11.5
56.06472	0.8
56.96553	1.8
57.03431	12.7
57.07059	2.4
65.03931	1.5
67.05174	1.0
67.05500	15.1
69.03407	2.9
69.07065	8.9
69.27373	0.9
70.06570	1.8
71.04970	3.9
71.60834	1.0
71.61229	1.2
73.02899	1.9
77.03876	0.9
79.05049	1.4
79.05483	25.1
81.03398	3.3
81.07050	21.5
83.04979	6.3
83.08610	7.7
85.02869	1.2
85.06516	1.4
86.78219	1.0
89.06003	1.4
91.05463	10.4
93.07030	32.9
95.04956	8.8
95.08599	35.0
97.02871	4.2
97.06528	5.4
97.10160	1.9
99.04435	3.9
103.05434	1.2
105.07021	9.2
107.04953	10.7
107.08584	25.8
109.06503	3.8
109.10161	4.8
111.04421	2.9
111.08070	2.4
113.05992	1.3
115.05431	1.5
117.06995	8.7
119.08576	9.9
120.04414	2.0
121.02840	2.9
121.04796	2.0
121.06479	5.2
121.10129	13.8
123.08061	2.2
123.11713	1.0
125.05969	2.5
127.03840	0.9
127.11080	0.9
130.07794	2.3
131.04871	1.7
131.08517	2.0
133.10114	4.4
135.08028	2.4
135.11678	43.4
136.12010	1.1
137.05978	2.1
137.09573	1.1
139.07530	2.5
143.08574	1.7
145.06438	1.7
145.10097	25.6
147.04387	1.1
147.11626	1.8
149.05968	1.5
149.13210	2.0
153.12756	1.6
155.08545	1.2
157.10083	1.3
159.07988	1.0
159.11697	0.9
163.11166	52.6
164.11504	1.8
167.08615	1.0
167.85515	0.9
171.08037	0.9
173.09558	2.0
181.04890	1.5
181.12224	12.8
190.58368	0.9
191.10565	1.0
195.07999	2.3
209.11757	1.8
211.07506	1.1
213.12798	0.9
223.07494	2.5
227.12753	100.0
228.13147	1.6
240.07687	2.0
247.16982	1.0
255.10930	0.9
265.14255	1.1
268.07312	1.5
283.06091	2.1
283.09845	8.6
283.15363	33.8
283.20190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03931	2.7
53.49929	1.5
53.62412	1.4
55.01860	2.9
55.05501	11.6
57.07065	3.9
67.05492	22.1
69.03411	8.2
69.07059	11.6
69.31690	19.3
71.04987	15.3
79.05476	22.6
81.07047	42.6
83.04963	3.8
83.08593	6.8
91.05470	21.3
93.07037	44.8
95.04959	18.8
95.08591	22.5
97.06497	9.1
98.20854	3.9
98.21501	3.8
103.05478	1.8
105.07016	60.8
107.08573	38.0
109.06509	10.3
109.10139	19.5
111.08115	1.6
115.05461	1.7
116.06197	2.3
117.07003	17.3
119.08564	43.2
121.06483	10.5
121.10129	81.5
123.08042	9.0
123.11709	9.6
125.09675	1.6
128.06213	5.2
129.06960	8.3
130.07779	7.8
131.08554	35.1
133.09120	2.0
133.10110	38.8
135.08041	9.4
135.11691	12.8
137.09618	2.3
142.07741	6.8
143.08527	24.1
144.09312	4.4
145.10098	53.7
146.07304	2.1
147.08031	4.6
147.11667	10.6
149.09587	3.4
149.13300	2.4
155.08565	5.2
156.09335	5.0
157.10112	20.0
158.10887	8.4
159.08087	4.1
159.11673	18.5
161.09596	28.6
161.13246	6.0
162.24191	1.7
163.11115	9.4
163.14784	3.7
168.09297	1.8
169.10109	5.4
170.10884	2.9
171.11659	14.8
172.12410	2.3
173.09608	2.7
173.13239	65.0
175.11154	3.9
175.14796	7.2
179.08565	4.2
180.09222	1.9
181.10086	4.9
183.11687	9.6
185.09610	1.7
185.13229	10.5
187.11186	2.8
187.14764	10.6
189.12712	3.6
191.14268	5.3
193.10129	4.4
194.10873	6.7
195.11600	8.2
196.12381	1.8
197.13318	8.6
199.11269	2.8
199.14778	8.4
201.12726	2.8
201.16380	2.2
203.14326	2.7
207.11639	3.4
208.12560	3.3
209.13232	16.8
210.13902	2.6
211.14671	2.8
213.12727	3.6
213.16431	3.0
215.14275	3.1
223.14845	9.2
225.16353	4.8
227.14211	9.3
239.17923	3.3
241.15874	3.4
250.17079	2.4
255.21019	12.1
265.19550	20.3
283.20526	100.0
284.20911	4.5
284.29581	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
51.74950	1.9
53.03936	2.9
55.01866	5.7
55.05508	21.6
57.03419	7.9
57.07067	10.8
62.25311	2.1
67.05494	27.5
69.03406	8.8
69.07063	23.8
71.04987	25.4
71.08595	3.6
71.61630	2.0
71.62034	2.5
79.05476	22.0
81.03379	2.0
81.07048	49.5
83.04960	5.3
83.08612	18.0
85.10166	2.8
89.06007	6.5
90.99647	2.0
91.05460	26.1
93.07032	50.0
94.07360	2.5
95.04967	13.8
95.08601	28.6
97.06519	7.0
97.10149	7.7
97.22897	2.2
97.41451	2.0
103.05453	3.2
104.95969	2.1
105.07018	52.7
107.08585	40.3
109.06491	8.7
109.10138	23.4
111.04357	2.4
111.11678	3.5
117.06987	13.9
119.08565	42.3
121.06506	8.5
121.10127	100.0
123.08063	11.8
123.11703	10.1
125.09608	2.9
128.06203	6.5
129.06995	5.9
130.07748	5.9
131.08565	37.9
133.08600	2.4
133.10123	42.9
135.08034	8.6
135.11664	16.6
142.07750	5.6
143.08553	21.5
144.09276	4.9
145.10106	59.8
146.07324	4.0
147.08022	4.7
147.11668	13.1
149.13187	3.7
155.08574	3.7
156.09308	7.3
157.10117	20.6
158.10898	7.4
159.07993	3.2
159.11700	20.5
161.09602	30.4
161.13263	6.2
163.11186	14.7
169.10110	3.4
171.11671	14.3
172.12265	3.9
173.09642	4.4
173.13249	63.4
175.11241	4.5
175.14803	6.0
179.08511	2.7
181.10065	3.9
183.11670	5.1
184.12550	2.1
185.09709	2.5
185.13287	9.4
187.11227	2.8
187.14803	21.3
189.12785	2.5
192.08995	2.4
193.10144	2.5
194.10941	5.1
195.11633	7.2
197.13306	4.1
199.14763	8.3
201.16330	5.0
208.12427	2.5
209.13292	11.0
210.13884	2.4
213.12560	4.4
213.16402	5.3
215.14328	2.4
223.14778	6.8
227.14478	3.9
235.14600	2.0
255.21040	5.9
265.19476	15.0
283.15741	9.6
283.20499	85.8
283.23941	23.1
283.98685	2.1
284.20862	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	284.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04079	0.2
56.96530	0.3
61.62681	0.2
61.76423	0.2
70.08324	1.1
76.03107	0.2
78.59953	0.2
93.76324	0.2
98.97559	2.2
101.00826	0.6
116.97947	0.2
116.98605	2.0
119.01904	5.4
134.99677	1.5
137.02940	2.7
138.03156	0.2
153.00804	0.5
155.05472	0.2
158.99864	0.4
165.99634	0.4
172.18498	0.2
177.00940	12.0
178.01015	0.4
182.99919	0.3
193.04071	0.3
195.01970	0.4
200.02614	0.3
201.00957	0.5
217.04062	2.6
219.01988	19.6
220.02107	0.6
221.01729	1.3
225.00772	2.4
240.05821	0.3
242.03568	0.6
243.01959	4.4
252.71967	0.3
258.06610	0.2
260.04706	0.3
261.03030	100.0
262.03177	3.6
263.03448	0.7
266.03809	0.4
278.01013	0.2
279.00543	2.2
284.00000	0.3
284.04630	6.7
285.04831	0.3
302.00995	1.4
302.03711	0.2
302.05911	0.4
303.00839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0988
Annotation	Isoguanosine
Peak:m/z	Relative Intensity
55.01855	0.2
56.96568	0.9
57.03418	0.5
61.02898	0.2
69.03416	0.4
69.32332	0.8
69.32758	0.6
70.06586	0.2
73.02908	0.3
81.03391	0.2
84.08154	0.2
85.02879	0.7
85.29531	0.1
97.02850	0.4
98.21487	0.3
98.97576	1.0
109.05122	0.3
110.03506	1.5
115.03908	0.2
116.98627	0.9
119.01895	0.3
127.03874	0.1
128.04518	1.0
131.01939	0.2
134.04579	0.2
134.99648	0.8
135.02998	2.8
136.06252	0.2
137.02873	0.2
147.04344	0.2
152.05656	100.0
153.04057	7.3
153.05301	0.2
153.06050	0.5
154.02425	0.2
155.00227	0.2
163.03845	0.2
177.00922	0.4
219.01854	0.5
260.99951	0.3
261.02960	2.4
279.00604	0.6
284.10068	0.2
284.29642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41096	0.6
52.81161	0.6
53.04008	1.4
55.01657	2.9
55.01953	11.3
55.05580	1.9
57.03247	0.8
57.03514	1.9
59.05049	1.1
59.42588	0.6
61.03003	2.9
63.00111	0.6
65.04026	3.0
65.62561	0.6
67.05201	1.3
67.05586	4.3
68.99476	1.1
68.99873	6.1
69.03513	42.3
69.07130	1.4
71.01413	1.0
71.05052	1.5
71.61633	0.8
71.62000	0.7
77.03989	1.1
79.05582	11.7
81.03516	4.1
81.07144	5.2
83.01419	0.9
83.05073	5.0
83.08669	0.8
85.02995	23.0
85.06661	0.8
85.35944	0.7
87.04494	1.0
91.05567	7.4
93.02864	0.9
93.03490	11.2
93.07037	6.8
95.04955	8.0
95.08154	1.1
95.08693	2.8
97.02979	2.0
97.06625	2.0
99.04433	5.0
103.05562	2.1
105.03450	1.4
105.07008	7.6
107.04271	1.0
107.04929	19.8
107.08678	2.5
109.02854	5.8
109.06609	2.1
109.10227	1.2
111.04417	21.4
111.08186	0.7
113.06045	1.1
115.05534	2.0
117.07076	1.8
119.04987	1.1
119.08557	4.7
121.02852	3.0
121.06487	14.9
121.10223	2.4
123.04401	6.4
123.08115	1.2
123.11740	0.9
125.02416	1.2
125.05979	6.6
127.03889	6.5
128.06277	1.7
129.06949	3.8
131.04990	2.8
131.08589	1.4
132.05830	0.9
133.06454	6.8
133.10191	1.7
135.04387	80.9
135.11690	1.1
136.54747	0.8
137.06049	2.0
139.03877	38.7
141.01785	3.8
143.05009	2.0
143.08655	1.2
145.02879	0.9
145.06535	2.4
145.10112	1.4
146.03619	0.7
147.04485	2.1
147.08049	3.7
147.11729	2.2
149.05954	14.3
151.03873	83.4
151.07555	1.7
153.05418	6.3
157.05116	1.4
157.06512	5.8
157.10078	1.3
159.04427	1.8
159.11682	1.3
161.05956	16.6
161.13309	0.8
163.03874	68.2
165.01915	0.8
165.05516	6.5
165.07039	5.1
167.07036	0.9
173.06004	1.0
175.03899	1.9
175.07542	7.3
176.04628	1.5
177.05438	34.8
179.03349	5.9
179.07022	6.3
181.04922	100.0
182.05296	0.8
182.07211	1.6
183.02869	0.7
185.05949	10.0
187.03957	0.8
187.07561	1.1
187.14917	0.8
189.05434	35.5
191.03514	1.4
193.04939	4.2
193.06473	4.2
193.08492	1.7
193.12221	1.1
203.06987	23.1
205.04919	80.6
206.05270	0.9
207.06482	6.3
210.06686	2.5
211.13123	1.0
213.05405	3.7
216.04288	0.8
221.06056	4.5
221.07944	1.1
223.05760	1.0
225.09134	6.3
227.17967	0.9
231.06479	97.2
232.06721	1.7
239.06989	1.1
241.12531	0.8
249.07542	93.9
249.14653	1.8
253.08569	13.5
254.09177	1.1
267.08493	13.0
267.21231	1.1
270.08609	1.4
285.09369	30.5
285.16180	0.9
285.21841	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	285.0965
Annotation	globosumone C
Peak:m/z	Relative Intensity
55.01863	15.2
57.03428	3.1
61.02927	2.8
65.03928	4.3
67.05496	4.5
67.18018	1.2
68.99769	7.5
69.03417	51.1
69.07061	1.5
69.27332	1.4
70.08651	6.1
70.09071	2.6
71.01373	1.8
71.04984	1.4
79.05487	11.6
81.03412	4.6
81.07039	4.9
83.04957	5.9
83.08617	2.0
85.02405	2.5
85.02893	26.6
91.05473	8.8
93.03381	10.0
93.07041	7.1
95.04961	6.6
95.08610	2.3
97.06528	3.9
98.21357	1.7
99.04453	5.5
103.05450	2.4
105.03391	1.7
105.07019	8.5
107.04939	19.5
107.08585	2.0
109.02857	6.4
109.06532	1.7
111.04422	22.6
111.08105	1.3
113.06015	1.3
119.08557	4.1
121.02843	2.5
121.06482	15.8
121.10106	1.6
123.04406	5.6
125.02393	1.3
125.05976	7.7
127.03911	3.8
128.06180	2.9
129.06970	3.2
131.04893	1.5
133.06514	8.5
135.04399	77.9
135.07991	1.4
137.05956	1.8
138.04396	1.2
139.03886	40.4
141.01794	3.2
143.04874	2.0
145.06465	2.4
145.10104	2.3
147.04411	1.5
147.08028	2.8
147.11699	1.5
149.05966	11.5
151.03885	78.5
153.05455	5.9
157.06499	6.0
161.05974	12.9
163.03883	64.7
165.05450	6.5
165.06970	4.2
175.03828	2.4
175.07556	5.1
177.05444	35.1
179.03325	4.4
179.07031	6.4
181.04929	100.0
182.05338	1.6
182.07274	1.3
185.05971	10.5
189.05438	36.0
191.03426	1.4
193.04965	3.7
193.06544	2.5
193.12219	2.1
203.07014	21.9
205.04935	81.5
207.06485	5.7
210.06754	3.5
211.07571	1.4
213.05450	4.2
215.84697	1.5
221.05939	3.8
225.09096	5.2
231.06488	98.0
249.07552	97.9
253.08528	12.3
267.08521	14.0
285.09415	28.7
285.22162	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0964
Annotation	globosumone C
Peak:m/z	Relative Intensity
52.17735	1.5
53.03943	2.9
55.01862	15.2
55.05504	6.5
56.96558	1.6
57.03428	4.2
57.07069	2.3
61.02940	1.5
63.00039	2.8
65.03936	4.4
65.29118	1.6
67.05488	10.4
68.99760	7.6
69.03421	52.7
69.07066	2.5
69.39174	1.6
70.06587	2.4
70.29618	6.2
71.04978	5.3
72.65765	1.5
73.69873	1.3
79.05473	16.3
79.05817	1.4
81.03408	46.9
81.07062	10.0
83.04984	7.1
83.08628	8.8
83.09032	1.5
85.02896	25.4
85.06516	1.7
85.64525	1.5
86.09692	2.6
87.28963	1.4
91.05460	13.9
93.03394	11.5
93.07015	9.5
95.04959	22.6
95.08611	5.1
97.02876	4.8
97.06520	3.7
97.10165	2.3
98.21165	2.9
98.98439	2.1
99.04450	6.3
100.11246	2.3
103.05476	2.5
105.07021	13.0
107.04942	22.6
107.08593	3.2
109.02865	8.7
109.06520	3.2
109.10149	1.8
111.04424	22.1
111.08075	6.8
114.60699	1.6
115.05491	1.8
117.07103	1.7
119.04937	2.1
119.08548	8.1
121.02856	4.2
121.06482	14.3
121.10146	5.5
123.04417	6.7
123.08083	2.8
125.05994	6.8
127.03904	8.5
128.06215	2.4
129.06982	9.6
131.04939	2.0
131.08565	4.3
133.06490	6.4
133.10130	4.7
135.04401	76.7
135.07974	1.7
135.23448	1.5
136.04648	1.6
137.05971	3.3
139.03880	41.3
139.05458	2.2
141.01770	3.1
142.48586	1.5
143.04906	2.5
145.06502	2.7
147.08044	5.7
147.11653	4.9
149.05937	13.3
149.09541	1.7
151.03879	72.6
151.07466	1.9
153.05455	4.6
155.04955	2.4
157.05252	2.4
157.06409	7.1
157.10121	5.8
159.04526	2.4
159.08142	1.5
161.05984	15.2
161.09573	1.6
163.03886	63.3
163.11180	1.5
164.06981	1.8
165.05435	7.0
165.06845	3.1
173.05902	1.9
175.03996	2.8
175.07587	4.9
175.11194	6.4
177.05440	32.1
179.03391	5.4
179.07025	2.6
181.04930	99.8
183.04393	2.3
185.05957	10.0
189.05438	34.5
189.12749	2.2
191.03365	4.3
193.04927	3.8
193.06517	1.9
193.12238	23.0
201.05486	2.5
203.06979	23.5
205.04933	82.1
207.06509	6.2
210.06807	3.0
211.03929	4.0
211.13242	2.5
213.05492	4.5
214.59898	1.6
221.08012	1.7
225.09106	4.4
229.04941	4.8
231.06499	96.1
239.03249	4.2
249.07558	100.0
253.08562	6.6
257.04660	3.0
267.08585	11.6
267.15814	8.9
275.05594	1.7
284.29459	3.0
285.03998	24.5
285.09293	26.1
285.17065	1.6
285.21912	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Batatasin I
Peak:m/z	Relative Intensity
51.94489	0.3
55.01841	0.5
55.05497	0.4
55.83807	0.4
56.37946	0.3
67.05470	0.8
69.03368	0.5
69.07030	0.8
69.74374	1.5
69.74778	0.9
79.05446	1.3
80.63476	0.3
81.03373	0.6
81.07039	1.9
82.33010	0.3
91.05405	1.0
93.07024	0.8
95.04905	1.0
95.08568	0.7
96.66385	0.3
96.84532	0.3
98.20755	0.7
105.06995	2.4
107.08528	0.7
109.06435	0.7
111.08047	0.4
115.05373	0.9
119.08514	1.2
119.23041	0.4
121.10085	0.4
123.04316	0.4
123.11700	0.5
125.09660	0.4
131.04871	0.5
131.08487	0.5
133.06537	1.7
133.10100	0.8
137.05957	2.2
143.08521	0.5
146.03572	2.0
147.04488	0.4
147.11676	0.4
153.06923	1.3
153.08168	0.4
154.07698	1.4
156.98250	0.3
157.10072	0.7
161.05963	14.1
161.13161	0.4
162.06549	0.4
164.06232	0.4
165.06989	20.4
166.07326	0.6
170.32372	0.3
173.05936	1.2
177.06891	0.5
178.07745	0.4
179.08452	0.6
181.06447	2.7
182.07263	7.7
183.07954	0.5
192.05727	0.6
193.06458	20.6
193.12202	0.6
194.07195	2.9
197.09535	0.9
205.83510	0.4
207.08092	0.4
209.05920	1.4
210.06725	14.6
211.07390	2.0
221.05942	24.7
222.06529	1.9
224.08209	0.9
225.09064	33.9
226.09383	0.6
227.06989	1.0
231.06540	0.4
235.07472	0.5
237.05333	0.8
238.06190	8.2
239.06961	2.4
253.08563	100.0
254.09174	6.2
255.06485	1.2
267.21198	0.4
269.08133	0.6
270.08878	3.2
271.12100	0.5
285.11185	47.7
285.22079	1.1
286.08627	0.4
286.11380	1.8
299.42966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01849	0.5
55.05505	32.0
57.03428	6.1
67.05491	0.8
69.07064	0.4
70.17395	1.5
81.03413	0.7
81.07055	0.7
83.04974	100.0
84.05289	0.7
85.02892	1.0
91.05512	0.3
95.04959	0.5
95.08597	0.7
98.20969	0.7
98.21518	0.4
101.05355	0.3
101.05959	0.7
105.07012	0.6
107.08549	0.5
111.04431	25.2
119.08591	0.5
129.05455	1.2
129.07056	0.4
131.08582	0.5
142.72119	0.3
147.11690	0.4
185.08101	1.4
193.08591	0.8
193.12274	0.6
211.09630	8.7
211.13132	0.7
239.02293	0.3
244.17926	0.4
285.13458	0.8
285.16904	0.4
285.22015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.31461	0.3
55.05506	30.0
57.03431	5.1
79.05456	0.4
79.99271	0.3
81.03406	0.5
81.07057	0.6
83.04972	100.0
84.05306	1.2
85.02905	0.5
91.05472	0.5
95.04940	0.4
99.04463	0.3
101.06020	1.2
102.84324	0.4
111.04430	24.0
129.05479	1.2
134.09373	0.3
147.11705	0.5
169.10072	0.5
175.11130	0.5
183.35709	0.4
185.08078	0.9
193.08623	0.6
193.12396	0.4
211.09639	9.9
285.13293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28152	0.4
53.03929	1.0
55.05505	33.4
56.05829	0.5
57.03431	6.5
57.04150	0.4
67.05499	0.5
69.07066	0.6
70.06387	2.0
72.84035	0.4
81.03397	0.5
81.07047	1.2
83.04972	100.0
84.05272	0.8
85.02897	1.0
88.11272	0.5
91.05468	0.8
93.07045	0.5
96.74595	0.4
97.35711	0.4
98.20784	0.5
99.84384	0.4
101.06010	1.0
111.04431	23.8
120.78499	0.4
129.05479	1.1
170.15396	3.1
185.08130	0.9
193.08636	0.7
193.12253	0.7
198.14838	3.0
211.09624	8.9
223.08858	0.4
242.17502	0.5
252.34169	0.4
285.22211	0.4
285.25333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.3
55.01861	4.9
55.05507	25.7
56.96559	2.6
57.03432	43.0
57.07050	3.5
58.16743	1.5
58.38722	1.7
63.00053	2.5
67.05497	33.1
69.03410	7.6
69.07055	12.9
69.47776	14.8
71.04977	9.7
76.35230	1.7
79.05046	2.8
79.05485	34.9
81.03412	86.7
81.07050	54.7
82.45568	1.6
83.04977	25.6
83.08610	40.4
83.09101	2.7
85.02897	93.2
85.06524	4.5
86.94622	1.8
91.05470	40.6
93.07040	28.5
95.04961	39.8
95.08596	24.2
97.02875	5.0
97.06506	6.6
97.10136	3.2
98.98441	2.8
99.04436	1.9
99.07999	1.7
105.07023	37.2
107.04943	10.5
107.08579	12.9
109.06497	7.6
109.10136	7.8
111.04430	6.6
111.08070	22.5
113.05972	6.6
113.62602	1.8
114.74873	1.6
115.05428	3.4
116.98609	2.8
117.07017	3.2
119.08579	27.6
121.06479	2.6
121.10156	15.6
123.04447	2.5
123.08081	4.8
123.11700	5.8
125.06046	1.8
125.09562	1.8
129.06985	13.5
131.08554	15.5
133.06485	3.6
133.10104	14.1
134.99654	2.9
135.04390	3.7
137.09586	3.1
139.03935	1.9
142.07776	2.8
145.10123	4.2
147.08055	3.9
147.11673	25.0
149.09557	8.5
151.03874	5.3
155.01591	1.7
155.08574	1.8
157.10118	21.3
159.11661	2.9
161.05989	8.6
163.11221	1.8
165.05670	1.8
165.06987	8.7
165.12758	6.1
167.07019	2.1
171.11685	3.1
175.11160	24.0
181.04939	5.4
182.07199	4.1
193.06468	9.0
193.12231	100.0
197.13272	1.9
205.04930	4.1
209.13802	2.0
210.06752	6.4
211.13269	91.9
221.05908	10.8
225.09044	16.3
229.14430	2.6
231.06477	4.5
238.06308	2.0
249.07576	5.2
253.08589	37.2
254.09164	2.8
267.08859	2.6
267.15814	3.4
285.11032	15.8
285.16925	95.0
285.22107	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	285.1693
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.00997	1.2
52.02564	1.2
53.03934	2.3
55.01861	4.9
55.05503	25.3
56.16160	1.4
57.03431	48.4
59.04969	2.9
60.35472	1.3
65.03902	2.8
67.05497	35.7
69.03416	8.6
69.07056	10.8
69.41203	10.5
69.41615	3.8
71.04979	10.6
73.06548	2.0
73.96542	1.4
79.05478	31.6
81.03408	100.0
81.07046	47.5
83.04963	18.5
83.08604	28.0
85.02892	71.0
85.06517	2.4
87.04423	1.9
91.05469	49.8
93.07036	30.7
95.04957	42.5
95.08598	19.4
97.02863	4.3
97.06502	7.2
97.10148	2.9
99.04493	1.5
99.08089	1.5
105.06380	2.3
105.07024	33.6
107.04943	8.5
107.08572	14.3
109.06512	8.3
109.10136	8.4
111.04393	5.2
111.08067	19.7
113.05994	7.2
115.05423	2.3
117.06991	2.2
119.07767	2.7
119.08562	29.2
121.06502	3.1
121.10143	15.8
123.08067	4.2
123.11681	4.5
129.05424	1.4
129.07002	13.4
131.08549	18.1
133.06471	3.9
133.10123	18.1
135.08023	1.9
135.11671	2.9
137.09627	2.7
142.07744	4.7
143.08549	1.5
145.10089	3.7
147.08012	5.6
147.11664	25.9
149.09616	8.1
150.05481	8.4
157.10094	23.0
159.11722	1.4
161.05919	2.0
163.11096	1.8
165.01825	2.0
165.06940	1.9
165.12715	5.8
175.11179	25.3
183.02792	3.6
193.12221	91.4
211.13264	52.7
219.13611	1.6
221.05940	2.4
225.09068	4.2
229.14224	1.9
240.10509	4.7
249.14842	5.7
253.08597	6.7
267.15927	15.4
285.04056	1.6
285.07800	2.2
285.11343	4.8
285.16925	99.1
286.11032	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	3.1
55.01855	3.0
55.05506	17.8
57.03433	41.5
57.07062	0.9
59.04987	1.1
64.49162	0.9
65.03925	1.8
67.05495	26.6
69.03415	5.2
69.07058	9.6
69.64568	6.6
71.04992	8.2
74.45499	0.9
74.73789	0.9
79.05485	29.9
81.03411	72.8
81.07051	38.1
83.04973	15.6
83.08610	25.6
85.02896	60.8
85.06531	3.6
91.05475	39.6
93.07030	22.0
95.04959	33.8
95.08603	13.7
97.02869	3.7
97.06538	7.6
97.10166	1.3
99.08081	1.4
103.05441	1.0
105.07024	30.3
107.04934	7.0
107.08588	8.8
109.06524	7.3
109.10137	2.7
111.04417	3.2
111.08067	17.2
113.06030	5.3
113.06712	1.0
117.07011	1.9
119.08582	22.7
121.06483	2.3
121.10125	11.7
123.08051	3.8
123.11689	3.3
123.72946	0.9
125.05994	1.3
127.07617	1.1
129.06995	12.5
131.08546	13.8
133.06464	2.9
133.10101	11.8
137.09586	2.4
142.07777	3.6
145.10127	1.6
147.08023	3.6
147.11684	21.7
149.09601	7.4
151.11314	1.0
157.10123	18.5
163.11252	1.6
165.12744	6.6
174.92566	0.9
175.11168	20.4
193.12228	79.6
202.69354	0.8
211.13275	53.2
267.15967	7.5
285.03952	1.5
285.16940	100.0
285.99066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03926	2.5
55.01857	2.5
55.05509	7.9
57.03434	8.7
63.00029	1.1
65.03909	0.9
65.51892	0.7
67.05160	1.2
67.05500	13.8
69.03416	3.5
69.07074	3.8
69.44937	7.5
71.04985	2.9
79.05488	16.0
81.03413	100.0
81.07052	13.9
83.04983	6.4
83.08615	23.0
85.02905	6.5
85.06509	0.9
91.05475	18.3
93.07045	8.5
95.04961	28.4
95.08583	5.1
97.02881	2.2
97.06548	1.8
97.10167	1.6
98.20764	1.5
98.99211	0.8
105.07021	14.7
107.04938	6.3
107.08585	4.2
109.06511	2.8
109.10149	2.0
111.04467	2.2
111.08066	11.1
115.05447	1.6
117.07009	1.5
119.04892	1.0
119.08566	10.8
121.06509	1.8
121.10152	5.4
123.08068	1.5
123.11710	1.3
123.24135	0.8
129.05431	0.8
129.07004	9.3
131.08551	7.7
133.06447	1.9
133.10129	4.8
135.08092	0.9
136.08551	0.7
137.05939	1.1
142.07773	2.5
145.10124	1.0
147.08026	3.1
147.11690	9.9
149.09634	5.8
151.11191	1.0
157.10101	11.8
161.06071	1.9
165.01875	1.2
165.06987	2.5
165.12749	2.8
167.05742	0.8
167.07031	3.3
175.11177	14.0
183.02957	1.3
191.03407	1.6
193.06567	1.2
193.12231	64.3
194.12563	0.9
210.06834	1.5
211.13290	10.9
221.05957	2.5
225.09087	2.9
229.05003	0.9
253.08508	5.6
267.15887	17.1
270.08820	0.8
285.04089	3.8
285.07816	1.4
285.10791	5.4
285.16919	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62317	0.5
53.03931	1.7
55.01853	0.7
55.05502	6.2
57.03175	0.7
57.03429	6.8
57.07064	0.8
57.15363	0.4
61.48619	0.5
63.00031	1.0
65.03913	0.7
67.01857	1.3
67.05162	0.6
67.05496	9.8
68.99784	3.6
69.03407	2.2
69.07056	2.8
70.94779	1.5
71.04970	2.1
79.05041	0.8
79.05482	8.1
80.78461	0.5
81.03409	49.3
81.07048	9.2
83.04982	4.2
83.08605	11.7
85.02412	0.9
85.02895	10.7
85.06525	0.8
91.04894	0.5
91.05474	10.8
93.07022	5.4
95.04959	15.5
95.08600	3.9
97.02892	1.9
97.06506	1.2
97.10134	1.2
98.98444	0.6
105.03350	0.8
105.07022	9.8
107.04965	3.3
107.08588	3.3
109.06484	2.1
109.10130	2.0
111.04428	1.1
111.08065	5.4
113.05959	1.1
115.05437	1.1
117.07014	2.7
119.04919	1.1
119.08572	7.8
121.02839	2.3
121.06469	1.1
121.10136	3.7
123.08027	1.6
123.11663	1.2
125.09640	0.6
128.06197	0.7
129.06981	5.0
131.04918	1.9
131.08537	4.4
133.06468	2.1
133.10100	3.4
135.11656	1.0
137.02269	0.7
137.05969	0.6
137.09607	0.7
142.07742	0.9
142.52901	0.5
145.06458	3.2
145.10162	0.7
147.04320	0.7
147.08029	1.9
147.11693	6.4
149.09579	2.5
150.05513	1.2
153.05402	1.1
155.04900	4.8
155.06003	1.0
157.06465	0.5
157.10094	6.7
159.11603	0.6
161.05959	2.1
165.06978	0.9
165.12785	1.1
173.05974	4.7
175.11163	8.2
177.01804	1.7
183.02956	0.8
183.04337	3.2
187.03909	3.7
191.03377	1.3
193.06445	0.6
193.12219	34.0
201.05443	10.7
202.05698	0.6
210.06665	1.0
211.03883	1.7
211.09563	0.5
211.13254	12.2
213.05423	0.9
215.03413	1.1
217.04881	0.5
225.09116	1.0
227.33731	0.5
229.04941	30.4
229.14174	1.0
230.05309	1.4
239.03375	3.0
243.02905	1.0
253.04485	2.4
253.08572	1.5
257.04437	21.0
258.04822	1.7
264.55188	0.6
267.02881	0.5
267.15921	9.7
285.03909	100.0
285.16907	15.4
285.22061	1.2
285.29785	1.0
286.04330	7.4
296.43152	0.5
303.05115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03928	2.8
54.84733	1.0
55.01859	2.7
55.05509	21.7
56.96569	1.2
57.03429	38.0
59.04976	1.1
65.03918	2.7
67.05499	33.9
69.03403	3.7
69.07059	10.2
70.91814	2.6
70.92145	1.0
71.04991	9.9
79.05481	32.3
81.03408	70.6
81.07048	40.5
83.04971	17.2
83.08609	27.8
85.02895	61.2
85.06523	3.4
87.04480	1.4
88.47622	1.0
91.05469	38.9
92.95412	1.1
93.07030	24.1
95.04958	32.3
95.08593	16.4
97.02869	3.7
97.06516	5.0
97.10129	3.0
99.08063	1.3
101.06042	1.1
105.07017	34.5
107.04942	8.2
107.08588	9.7
109.06501	9.1
109.10157	5.0
111.04422	4.7
111.08060	15.5
113.06028	5.9
115.05427	2.2
119.08559	25.9
121.06511	1.7
121.10128	15.0
123.08025	4.1
123.11662	3.2
124.51869	1.0
125.09615	1.4
125.37801	1.0
127.07516	1.9
129.05489	1.9
129.06987	13.3
131.08543	14.5
133.06502	3.8
133.10117	16.9
135.04428	1.9
137.09569	3.4
137.13229	1.3
142.07736	2.7
145.10080	3.2
147.08012	3.5
147.11649	22.5
147.12788	2.2
149.09602	6.6
151.03877	2.4
154.46800	1.2
157.10121	18.4
161.05920	2.8
163.03799	2.9
163.11145	1.2
165.06985	2.6
165.12711	7.5
175.11165	22.1
181.04926	2.1
183.13914	1.1
193.06497	3.2
193.12219	74.5
205.04936	2.2
210.06693	1.6
211.13254	52.5
221.06003	2.4
225.09081	5.1
231.06429	2.0
249.07545	1.5
253.08546	9.5
267.15823	7.3
285.11313	6.5
285.16919	100.0
286.17145	2.3
303.04987	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30000	1.3
52.84835	1.3
53.03925	2.3
53.69196	1.2
55.01846	4.4
55.05507	24.7
57.03432	44.5
57.07069	2.6
57.16266	1.3
59.04983	1.7
67.05172	2.7
67.05498	36.3
69.03436	7.3
69.07058	12.6
69.30486	18.3
71.04990	10.6
79.05070	2.5
79.05490	34.5
81.03410	72.9
81.07048	51.3
83.04970	19.7
83.08136	2.2
83.08608	33.7
85.02894	77.5
85.06517	3.2
85.24455	1.5
87.04442	1.5
91.05473	45.3
93.07035	25.3
95.04962	32.5
95.08595	19.9
97.02869	4.9
97.06535	8.0
97.10140	5.6
98.98432	1.9
99.08092	1.6
105.06386	3.0
105.07029	31.5
107.04919	6.3
107.08600	11.2
108.44959	1.7
109.06519	8.7
109.10153	7.9
111.04417	4.1
111.08053	18.8
113.05977	6.4
117.07002	3.0
118.37457	1.4
119.08578	28.7
121.06454	2.3
121.10131	17.7
123.08025	5.6
123.11713	4.6
125.09647	1.6
129.07016	12.2
131.08549	15.8
133.06516	2.1
133.10126	12.8
137.09602	2.1
142.07739	5.1
145.10069	2.3
147.08031	3.9
147.11667	26.7
149.09593	8.5
154.33734	1.5
157.10110	21.5
162.69164	1.5
165.12727	5.0
175.11159	27.8
183.13698	1.6
193.12227	87.7
205.02513	1.6
211.13268	78.9
267.15878	3.3
285.16925	100.0
285.22092	5.5
285.30051	1.8
285.33221	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03932	3.6
55.01862	5.2
55.05255	2.2
55.05499	24.0
57.03428	54.0
57.07054	2.9
57.18482	1.2
59.04976	1.4
65.03924	2.0
67.05491	37.2
69.03410	5.9
69.07056	10.8
70.06343	5.8
70.93166	1.4
71.04986	10.3
79.05483	33.7
81.03406	80.4
81.06567	2.7
81.07044	47.5
83.04969	18.5
83.08134	2.2
83.08604	35.0
85.02892	85.0
85.06550	2.3
91.05469	43.7
93.07024	27.9
95.04955	38.6
95.08595	18.4
97.02868	4.2
97.06510	7.2
97.10156	4.4
105.07017	36.0
107.04948	7.6
107.08589	10.9
109.06487	8.7
109.10107	5.3
111.04408	2.5
111.08067	18.8
113.06008	7.4
115.05428	2.0
117.07007	2.3
119.08559	26.3
121.06393	1.5
121.10115	15.6
123.08038	5.1
123.11708	3.6
125.09594	2.5
129.06969	13.1
131.08554	14.2
133.06436	3.0
133.10123	16.3
137.09601	2.2
142.07726	4.7
143.08583	1.2
145.10086	2.8
147.08073	3.5
147.11668	27.4
149.09612	9.7
157.10110	20.9
159.99574	1.6
165.12700	5.9
165.25211	1.3
175.11150	27.3
183.13889	1.6
193.12213	98.0
199.18953	1.4
211.13257	74.8
267.15900	2.0
285.16916	100.0
286.17413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03907	4.2
55.01852	3.2
55.05503	22.6
55.50912	2.6
57.03433	44.4
65.64382	2.3
67.05492	37.2
69.03418	5.0
69.07043	9.8
71.04973	8.8
71.61729	4.4
74.09737	2.2
79.05132	2.4
79.05486	31.4
81.03410	79.8
81.07048	46.6
83.04976	16.1
83.08183	3.2
83.08609	31.7
85.02895	76.5
90.70928	2.4
91.05466	40.1
93.07031	23.7
95.04954	38.3
95.08608	19.7
97.06508	6.5
97.10133	3.8
105.06352	3.8
105.07014	32.7
107.04927	6.1
107.08571	9.0
109.06518	6.5
109.10115	8.9
111.04429	3.1
111.08075	20.5
113.05981	9.1
119.08578	32.1
121.10116	14.4
123.08039	5.1
123.11685	4.3
129.06981	14.5
131.08537	15.5
133.06506	4.2
133.10098	15.7
133.39233	2.3
135.11688	2.7
142.07764	6.2
147.11671	26.1
149.09570	7.4
157.10101	17.4
171.11589	2.9
175.11145	20.5
193.12227	100.0
208.32718	2.6
211.13281	81.0
267.15820	4.7
285.16913	88.1
285.22028	7.1
285.33444	8.2
309.50165	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	286.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63535	0.3
55.01868	0.5
55.10215	0.3
56.96564	0.5
57.03416	0.3
61.02920	0.3
69.03421	0.9
69.07076	0.3
70.06577	0.3
71.32172	0.4
73.02912	0.6
74.44085	0.2
75.49895	0.3
79.05472	0.9
81.03407	0.6
85.02898	1.9
91.05474	0.5
97.02905	0.8
98.98437	0.3
106.06542	100.0
107.06870	1.4
108.66566	0.3
114.12783	0.3
115.03958	0.3
118.06528	4.6
118.99010	0.3
120.08093	0.5
124.03977	0.5
124.07590	1.3
130.06502	1.0
132.08020	0.4
141.10226	0.3
148.07556	0.9
160.07576	0.4
163.03922	0.8
197.51311	0.3
211.10785	0.5
268.11804	0.4
273.20404	0.3
277.73874	0.3
279.13208	0.3
287.05566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44419	0.1
63.81203	0.1
65.03914	0.2
67.01833	0.2
68.99465	0.2
68.99781	1.5
71.09845	0.2
71.10195	0.4
73.16008	0.2
79.05454	0.4
95.04950	0.3
105.03373	0.7
107.04936	0.9
109.02851	0.5
111.00793	1.2
111.04403	0.4
121.02848	5.1
121.03841	0.3
127.03867	0.3
129.06999	0.3
133.02847	0.8
135.04430	0.3
136.58099	0.2
137.02333	1.8
141.06992	0.3
145.06461	0.5
147.04384	1.2
149.02319	0.2
153.01811	8.8
154.02159	0.1
157.06447	1.1
161.05930	0.3
164.06964	0.1
165.01808	3.3
167.04967	0.1
171.03036	0.2
171.04390	0.5
183.02863	1.3
185.05954	1.1
189.05374	0.1
197.05956	0.3
202.44313	0.2
203.03349	0.1
203.06992	0.3
212.04648	0.1
213.05450	2.3
229.04817	0.5
231.06488	1.1
241.04924	1.4
243.06573	0.2
258.05228	1.9
258.07822	0.2
259.05978	0.6
269.04440	0.3
269.82745	0.1
287.05457	100.0
288.05789	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01865	0.2
61.64442	0.1
65.03925	0.3
67.01842	0.4
68.99424	0.2
68.99779	2.0
69.03403	0.2
70.91042	0.2
70.91348	0.1
71.01301	0.1
73.64115	0.1
79.05477	0.5
81.03389	0.3
81.07035	0.1
84.04463	0.1
91.05473	0.2
94.16475	0.1
95.04375	0.1
95.04944	0.3
101.98630	0.1
103.05443	0.2
105.03362	1.0
107.04932	1.0
109.02866	0.6
111.00795	1.5
111.04408	0.6
115.05447	0.1
117.07005	0.2
119.04906	0.1
119.08566	0.1
121.02849	6.0
121.03876	0.3
123.04401	0.1
127.03871	0.2
128.06198	0.1
129.06966	0.3
133.02838	0.8
135.04401	0.3
137.02310	1.9
137.05974	0.2
141.06934	0.2
143.04900	0.1
145.06448	0.6
147.04382	1.1
147.08054	0.1
151.03862	0.1
153.01804	9.9
154.02126	0.2
157.06454	1.3
161.05957	0.4
163.03911	0.1
163.07559	0.1
165.01819	3.4
167.04990	0.1
169.06477	0.2
171.02959	0.2
171.04378	0.6
175.03836	0.3
183.02872	1.6
184.05098	0.1
185.05923	1.3
189.05412	0.3
197.05927	0.4
199.03864	0.2
201.05397	0.1
203.03358	0.1
203.07030	0.3
213.03409	0.2
213.05441	3.2
216.04120	0.1
217.04852	0.2
217.76698	0.1
229.04926	0.3
231.06471	1.4
241.04930	1.4
242.05502	0.1
243.06409	0.2
245.04330	0.1
257.04752	0.1
258.05222	2.1
259.05951	0.8
269.04193	0.4
287.05447	100.0
288.05765	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03948	0.1
55.01861	0.1
61.28423	0.0
65.03922	0.3
66.01071	0.0
67.01859	0.3
67.05470	0.0
68.99780	1.9
69.03416	0.1
69.63316	0.1
69.63721	0.2
71.01338	0.1
74.71933	0.0
78.01078	0.0
79.01846	0.0
79.05476	0.6
81.03414	0.2
85.02879	0.1
91.05470	0.1
93.03375	0.1
94.04155	0.1
95.01292	0.1
95.04953	0.4
95.08578	0.0
97.02869	0.1
103.05483	0.2
105.03377	0.9
107.04945	1.1
109.02859	0.8
111.00791	1.5
111.04430	0.4
115.05408	0.2
116.98626	0.0
117.06997	0.1
118.28216	0.0
119.04918	0.1
121.02854	6.3
121.06479	0.1
122.03180	0.1
123.04406	0.0
124.01589	0.0
125.02336	0.0
126.03102	0.1
127.03877	0.2
128.06207	0.1
129.07019	0.3
133.02847	0.9
133.06464	0.1
135.04407	0.4
137.02322	2.0
139.05434	0.1
141.06953	0.2
145.02792	0.1
145.06476	0.6
147.04387	1.3
150.17468	0.0
151.03860	0.1
153.01807	9.9
154.02147	0.1
155.04868	0.1
155.05966	0.1
157.06476	1.3
160.05223	0.0
161.02293	0.1
161.05943	0.5
163.03870	0.1
165.01819	3.8
166.02512	0.1
167.05005	0.1
168.05638	0.1
169.06493	0.1
171.02884	0.1
171.04362	0.7
173.05981	0.1
175.03867	0.2
175.07555	0.1
179.03447	0.1
183.02873	1.6
184.03394	0.0
184.05119	0.1
185.04388	0.1
185.05962	1.2
186.06348	0.1
189.05409	0.3
191.03323	0.1
193.01250	0.1
194.02074	0.1
197.06006	0.3
199.03850	0.1
201.05409	0.2
203.03394	0.2
203.07016	0.3
212.04683	0.1
213.05437	3.2
214.05882	0.1
216.04164	0.1
217.04919	0.2
223.03819	0.0
229.04929	0.4
230.05591	0.1
231.06483	1.4
241.04919	1.6
241.07440	0.1
242.05574	0.1
243.06400	0.2
245.04367	0.1
257.04523	0.1
258.05225	2.1
259.05994	0.9
263.05392	0.1
269.04376	0.4
270.05200	0.1
287.05457	100.0
288.05780	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	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03935	0.1
55.01845	0.1
58.72330	0.1
65.03927	0.3
66.01089	0.1
67.01853	0.4
68.99781	2.1
69.00156	0.1
69.03406	0.2
69.53933	0.5
71.01350	0.1
79.01882	0.1
79.05480	0.5
81.03418	0.3
82.97069	0.0
88.77015	0.1
91.05473	0.1
95.01301	0.1
95.04963	0.3
97.02860	0.1
103.05460	0.2
105.03371	0.9
105.04470	0.1
105.07008	0.1
107.04949	1.0
109.02863	0.8
111.00791	1.5
111.04418	0.6
115.04716	0.1
115.05441	0.2
117.06990	0.2
119.04932	0.1
121.02850	6.4
121.03891	0.2
121.06512	0.1
123.04460	0.1
127.03892	0.2
128.06245	0.1
129.06998	0.3
131.04953	0.1
133.02831	0.9
135.04439	0.4
135.08063	0.1
136.07544	0.2
137.02319	2.2
141.06960	0.2
143.04897	0.1
145.06456	0.6
147.04390	1.4
147.08092	0.1
149.02299	0.1
151.03899	0.1
153.01804	10.6
154.02155	0.1
155.06075	0.1
157.06445	1.3
160.05173	0.1
161.02354	0.1
161.05942	0.5
163.03864	0.1
164.07027	0.2
165.01811	3.6
167.04987	0.1
169.06398	0.1
171.02864	0.2
171.04353	0.7
171.20111	0.1
173.05994	0.1
175.03885	0.2
175.07565	0.1
179.03395	0.1
183.02863	1.7
183.04506	0.1
184.05193	0.1
185.05939	1.1
188.52435	0.1
189.05449	0.3
191.03308	0.1
194.02013	0.1
197.05989	0.3
199.03845	0.1
201.05490	0.2
203.03349	0.2
203.06979	0.3
212.04601	0.1
213.05431	3.2
214.06026	0.1
216.04135	0.2
217.04878	0.1
224.68246	0.1
229.04900	0.4
231.06483	1.3
241.04889	1.7
242.05673	0.2
243.06493	0.2
245.04414	0.2
257.04468	0.1
258.05215	2.2
259.06009	0.8
263.05444	0.1
269.04318	0.3
270.05927	0.1
286.04510	0.1
287.05450	100.0
288.05771	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	287.0546
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03934	0.3
55.05505	1.0
57.03425	0.2
65.03919	0.4
67.05495	1.4
68.99789	1.8
69.03418	0.3
69.07059	1.2
69.45020	0.4
69.45415	1.6
71.04985	0.2
79.05476	1.6
81.03406	0.3
81.07047	3.6
83.04976	0.3
83.08594	0.4
85.02863	0.2
91.05456	1.1
91.85780	0.2
93.07035	2.9
95.04948	0.5
95.08592	2.4
97.06532	0.3
97.10163	0.3
103.05470	0.3
105.03376	0.6
105.07014	2.0
107.04940	1.1
107.08589	2.5
107.36559	0.2
109.02853	0.8
109.10143	1.6
111.00802	1.3
111.04423	0.6
111.08046	0.2
115.05410	0.4
116.98634	0.2
117.06980	0.4
119.04886	0.2
119.08557	2.7
121.02857	5.6
121.06461	0.5
121.10143	1.6
123.08052	0.2
123.11714	0.9
129.06969	0.5
131.08534	0.8
133.02826	0.8
133.10129	1.3
135.04439	0.3
135.08009	0.2
135.11700	0.9
137.02319	1.9
137.06001	0.2
137.13260	0.2
141.06969	0.4
142.07721	0.3
143.08514	0.5
145.06453	0.6
145.10114	1.4
147.04384	1.2
147.11664	1.2
149.09578	0.5
149.13240	1.5
151.11185	0.3
153.01810	9.2
157.06470	1.2
157.10129	1.0
159.08026	0.2
159.11693	1.4
161.05959	0.4
161.09647	0.3
161.13203	0.9
163.11215	0.3
163.14758	0.3
165.01822	3.1
171.04446	0.9
171.11655	0.5
173.13263	0.8
175.03932	0.2
175.14801	0.8
183.02870	1.6
185.05989	1.0
185.13243	0.8
187.14774	0.5
189.05359	0.3
189.16409	0.6
197.05977	0.2
199.03873	0.5
199.14801	0.5
201.16391	1.0
202.99207	0.2
203.07155	0.2
210.99072	0.2
213.05443	3.3
213.16371	0.8
217.04868	0.2
227.17969	0.4
229.04903	0.4
229.19484	0.8
231.06432	1.4
241.04926	1.6
241.19533	0.2
242.05704	0.2
245.04475	0.4
258.05176	1.9
259.06015	1.1
269.04428	0.3
269.19598	0.3
269.22574	1.7
281.97083	0.2
287.05460	100.0
287.23645	3.9
288.05795	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
54.58070	3.1
55.01872	9.2
56.96558	24.2
57.03428	27.6
61.02916	33.1
63.12772	2.8
66.24010	3.2
69.03419	54.8
69.79566	6.4
69.79979	15.6
71.01344	3.6
71.04977	5.0
73.02908	35.7
81.03412	17.3
85.02893	100.0
86.03239	4.5
87.04472	10.2
91.03954	5.9
97.02876	47.7
97.03423	4.8
98.03225	3.2
98.21489	4.1
98.97579	44.6
99.04449	9.3
101.00872	6.7
106.78360	2.8
107.74757	3.4
109.02879	13.2
110.01283	7.2
110.97581	12.8
113.02384	5.3
115.03901	4.7
116.98600	32.1
119.01865	34.9
120.02024	9.1
121.01669	6.6
124.03916	6.9
125.04282	4.9
127.03887	37.2
128.02328	14.0
128.04248	5.2
128.98605	19.1
129.02095	4.2
129.52963	3.5
131.00151	3.6
131.01865	9.9
132.01938	3.7
133.01660	4.0
133.03436	5.2
134.99655	10.2
137.02888	7.8
140.02304	6.7
143.00180	4.5
143.01886	12.7
144.99828	3.8
145.01556	3.8
145.03456	6.3
145.04958	19.2
146.05154	3.5
146.99641	13.5
147.04320	3.0
149.02914	6.0
151.04454	3.0
153.03050	3.2
155.01794	6.2
155.02885	5.8
157.03447	3.9
158.99689	14.2
161.01387	5.8
161.02930	28.4
163.02681	7.4
165.00713	3.2
170.03438	3.5
170.99652	10.2
173.01363	4.6
173.02953	11.2
174.03110	5.0
174.04567	3.9
175.02740	5.7
175.04407	4.8
175.53481	3.7
177.00722	14.4
177.02281	5.4
179.02351	3.5
182.03345	18.3
182.53548	3.7
189.00739	21.2
189.02245	4.7
191.03860	38.2
192.55676	3.5
193.00279	5.2
193.05434	3.7
197.02072	4.7
197.06563	4.8
198.04431	5.6
200.01251	3.6
200.04411	22.7
200.54602	4.3
201.00726	9.2
203.03934	6.9
204.04100	4.4
205.00060	3.0
205.54683	4.6
206.02602	14.5
206.04356	5.5
207.01791	4.1
207.05206	7.9
209.05014	10.4
215.00600	4.1
215.03221	15.5
216.05797	3.7
217.00217	7.1
219.01700	16.2
221.05006	4.5
231.01816	5.3
237.02846	12.7
245.05000	4.2
248.03145	4.0
248.99091	4.2
249.02866	4.3
261.03064	5.2
267.00299	4.4
267.09158	3.1
269.05740	4.8
287.05511	8.2
287.10449	35.5
290.03979	3.4
291.04034	5.7
291.09177	17.1
293.05478	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	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.6
57.07048	0.5
63.61353	0.4
64.76114	0.4
67.05486	0.6
69.44534	0.4
70.06569	0.8
70.86277	0.9
70.86633	0.8
72.11892	0.4
72.85171	0.4
77.00932	0.4
77.86404	0.4
85.02879	1.4
97.02858	0.6
101.00871	1.5
102.96863	0.6
112.07608	0.5
116.98627	0.6
119.01924	7.7
123.43255	0.4
131.01837	0.5
133.62013	0.4
137.02931	1.3
142.19055	0.5
143.01878	11.9
143.03009	0.6
161.02937	24.0
162.03018	1.2
164.82623	0.4
173.03017	0.4
184.04543	1.4
203.03970	3.7
221.04951	0.8
287.10974	100.0
288.11374	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	287.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
57.03424	1.3
65.03911	0.5
66.22793	0.4
67.05474	0.5
67.92586	0.3
68.99780	2.2
69.03412	0.6
69.07033	0.5
71.01299	0.5
71.10159	0.5
71.10497	0.8
78.04685	0.5
79.05479	4.7
80.97501	0.3
81.03423	0.6
81.07050	0.7
84.21877	0.3
89.44751	0.4
91.05460	1.8
92.51028	0.3
93.03434	0.3
93.07017	0.5
95.04954	1.5
97.02798	0.4
103.05442	3.8
105.03372	1.0
105.06995	3.8
106.04127	0.5
107.04935	28.1
107.08563	0.6
107.20440	0.3
109.02855	0.7
111.00757	1.1
111.04420	0.7
111.07976	0.4
114.09158	0.9
115.05411	1.7
117.06991	1.1
119.04910	0.4
120.05683	0.7
121.02827	6.1
121.06489	1.3
122.03653	0.4
123.04435	2.0
124.05185	1.1
125.05997	0.8
127.03918	0.7
129.07010	0.4
131.04915	1.5
133.02841	0.7
133.06480	1.3
135.04352	0.6
135.08028	9.0
137.02307	2.0
137.06003	2.0
145.02835	0.4
145.06546	0.6
145.07614	0.8
147.04381	1.7
149.05948	1.1
150.06750	0.7
151.07516	1.0
152.04626	0.6
153.01804	9.1
154.06223	1.5
157.06459	1.0
161.05902	0.5
163.07513	19.7
164.08025	0.3
165.01787	3.6
165.05429	0.7
165.09056	0.5
167.07014	54.8
168.07550	0.6
171.04385	0.7
175.03911	0.4
180.07797	1.3
183.02846	1.2
185.05945	1.2
193.08574	1.6
195.08083	2.0
195.10123	16.4
196.08600	0.4
197.05997	0.5
203.03268	0.4
203.06903	0.5
211.09610	3.3
213.05481	3.3
213.11177	20.9
223.07562	0.5
227.10643	2.8
229.05014	0.5
231.06462	1.3
241.04927	1.5
255.10088	2.2
258.05243	2.0
259.05927	0.5
269.04459	0.4
269.12543	0.5
287.05444	100.0
288.05740	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	287.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55278	0.8
55.05254	1.4
55.05504	14.8
56.96562	0.9
57.03434	12.1
57.07070	100.0
65.00353	0.9
67.05497	1.7
69.42921	6.6
69.43346	2.6
77.82857	1.0
81.07033	3.1
83.04974	94.2
83.08600	1.0
85.02904	1.4
85.06540	10.8
91.05465	1.8
93.07031	2.0
95.04961	1.8
95.08556	1.6
97.06510	1.0
98.98436	1.6
105.07021	1.7
107.08596	2.3
109.10151	1.1
111.04433	69.6
119.08557	1.3
121.02833	1.5
121.06478	1.4
121.10120	1.5
129.05447	3.7
131.08502	1.9
133.10080	1.1
141.16077	1.0
145.10127	1.0
147.11708	1.2
153.01830	2.8
157.06421	1.4
157.10106	1.5
158.47795	1.0
159.11736	1.4
171.11688	1.2
185.08138	4.6
185.13242	1.5
190.95526	1.1
199.14926	1.0
209.44168	0.9
213.11168	19.4
213.13011	1.4
217.82736	0.9
226.21646	3.5
286.25980	1.0
287.02438	0.9
287.05475	28.5
287.16769	0.9
287.20047	3.7
287.23734	2.5
287.26874	1.2
288.05878	2.4
288.92459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
55.01864	2.0
55.05503	10.1
56.96566	2.3
57.03421	2.9
57.07065	14.6
59.05009	3.1
64.99738	2.1
67.05492	14.9
68.99762	6.2
69.03403	3.0
69.07064	12.2
71.04981	4.1
71.61054	2.2
71.61485	3.3
79.05476	10.5
81.03391	2.2
81.07045	19.3
81.49479	1.8
83.04977	19.9
83.08600	3.8
85.06519	5.2
91.05442	14.4
93.07034	19.3
95.04953	19.2
95.08583	16.5
97.00171	1.7
97.06503	6.0
97.10161	2.6
98.98457	4.2
105.07001	22.1
107.04942	2.7
107.08581	21.4
109.06491	6.7
109.10139	11.7
111.00769	2.0
111.04452	9.0
111.08033	3.8
117.06998	7.5
119.08568	22.0
121.02858	4.0
121.06476	8.6
121.10128	18.5
123.08030	4.1
123.11674	4.0
125.09528	1.9
128.06219	3.4
129.06967	6.1
130.07703	2.6
131.08566	19.1
133.10103	17.7
135.08012	4.7
135.11649	5.1
137.09666	4.3
142.07726	5.2
143.08492	11.7
144.09286	3.7
145.10086	22.3
147.04375	1.9
147.07980	2.3
147.11661	9.8
149.09602	8.0
149.13263	4.3
153.01794	5.9
155.08507	3.9
156.09273	8.7
157.06488	2.5
157.10132	18.7
158.10898	4.4
159.11664	20.9
161.05896	1.7
161.09569	6.2
161.13228	4.7
162.10471	2.8
163.11137	2.7
169.10074	5.2
170.10858	6.3
171.04410	3.2
171.07991	2.7
171.11681	17.7
172.12456	2.7
173.09512	3.0
173.13237	21.9
175.03799	2.3
175.07442	2.1
175.11139	2.8
175.14827	3.0
179.08469	2.3
183.03069	2.3
183.11652	4.0
185.13203	15.5
186.14063	2.3
187.11176	3.8
187.14790	9.9
189.12700	7.5
195.11662	6.5
196.12633	2.5
197.13159	2.1
199.03969	2.4
199.11134	3.1
199.14796	3.9
201.16359	5.2
203.14307	6.7
208.12575	2.1
209.13213	2.7
211.14827	6.0
213.05450	4.4
213.12750	14.4
213.16418	4.2
216.37753	1.8
217.04939	2.7
219.06505	2.4
220.58865	1.9
227.14276	5.3
227.17944	2.2
229.15826	4.6
231.11566	1.9
231.13704	8.8
241.04910	2.4
241.19556	6.1
245.04410	3.3
251.17801	3.4
269.18991	36.9
269.22079	3.3
287.05460	100.0
287.16586	5.1
287.20053	84.7
287.23584	13.6
288.05713	5.8
289.89117	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2001
Annotation	17alpha-Methylestradiol
Peak:m/z	Relative Intensity
53.03926	1.9
55.05501	8.1
57.07071	9.7
59.04980	3.1
63.00038	1.6
65.03922	1.9
67.05492	11.7
68.99776	5.0
69.03426	3.1
69.07056	11.1
70.97573	3.2
70.97936	1.3
71.04976	1.6
79.05484	8.1
81.07042	20.0
83.04966	8.1
83.08607	3.9
83.21340	1.3
85.06525	4.7
91.05442	14.0
93.07023	18.6
95.04953	21.1
95.08593	18.2
97.06500	6.5
98.98431	2.0
99.08083	1.7
105.07011	21.2
107.04955	2.7
107.08582	23.3
109.06482	5.7
109.10143	12.8
110.37256	1.5
111.00822	1.8
111.04418	3.5
111.08025	2.1
115.05424	2.0
117.07032	7.7
119.08573	30.4
121.02837	2.0
121.06489	7.5
121.10131	18.4
123.08035	4.0
123.11682	4.2
128.06194	4.5
129.07019	7.6
129.07903	1.4
131.08534	23.5
133.10139	17.6
135.08044	4.4
135.11676	5.9
137.09592	3.9
141.06982	3.9
142.07735	7.7
143.08551	13.9
144.09303	4.2
145.06429	2.3
145.10101	25.1
146.10831	2.1
147.07974	4.1
147.11674	10.3
149.09572	10.4
151.11188	1.8
153.01778	4.1
155.08537	5.0
156.09363	9.1
157.10115	20.9
158.10939	7.4
159.11670	19.8
161.06039	1.5
161.09607	5.0
161.13226	6.1
163.11104	2.1
167.08531	3.4
169.10086	6.2
170.10909	8.8
171.04401	2.0
171.08038	1.9
171.11699	19.0
172.08897	1.5
172.12437	2.9
173.09595	3.0
173.13246	27.8
174.13857	2.3
175.03951	1.8
175.11098	3.9
175.14778	2.4
177.12682	3.0
180.09366	2.1
181.10085	1.8
182.10838	1.6
183.11688	4.2
185.13243	16.4
186.14032	4.3
187.11145	4.9
187.14816	11.2
189.12720	6.5
191.14328	6.2
195.11699	6.0
197.13286	1.7
198.10378	2.5
199.11226	4.1
199.14792	6.5
201.16342	4.2
203.03354	2.2
203.14342	5.6
209.13202	3.9
211.14763	6.6
213.05396	3.5
213.12720	16.8
213.16409	2.5
221.13052	2.1
225.16185	2.1
227.14267	5.4
227.17868	2.8
229.15846	6.6
231.06204	1.7
231.13771	10.3
241.04980	2.4
241.15927	2.1
241.19539	5.5
245.04414	3.7
251.17938	3.2
258.05353	1.8
261.50076	1.5
269.04593	2.0
269.18970	45.0
269.22238	2.3
287.02213	2.8
287.05460	56.9
287.16550	4.9
287.20010	100.0
287.23544	6.6
288.05676	4.7
288.20242	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02967	0.6
55.01855	1.7
56.96563	14.1
57.03419	2.7
58.99858	1.3
59.04972	0.7
59.15226	0.7
59.18303	0.6
60.05610	0.7
61.02920	2.3
65.03912	0.8
67.05493	1.0
69.03417	4.8
70.05020	1.1
70.05444	2.5
70.06583	2.9
71.01341	0.7
71.04990	1.4
72.08145	1.7
73.02901	2.2
74.97595	1.7
75.85867	0.6
77.00912	2.1
81.03404	1.9
82.03727	0.7
82.99843	1.3
83.01326	0.7
84.04450	0.8
84.08131	1.4
84.96008	1.1
85.02895	8.6
86.09682	0.9
86.99320	1.0
87.04448	0.8
89.03905	0.9
95.01920	1.2
97.02882	6.3
98.21400	1.0
98.31929	0.7
98.97566	11.3
99.04478	1.3
101.00859	13.9
101.02361	0.6
103.02377	0.8
105.00396	1.5
107.04951	1.6
109.02836	1.6
111.04446	3.9
113.00836	1.0
113.03474	1.4
115.02432	9.6
116.07068	0.8
116.98607	12.2
117.03994	1.4
118.03474	0.6
119.01907	100.0
120.02015	1.6
123.04405	5.5
126.05524	1.3
127.03905	9.5
127.05853	1.1
128.98602	2.3
129.03932	3.2
129.10245	1.0
130.93268	0.9
131.00163	2.3
131.01897	10.5
132.97998	0.6
133.03462	29.1
134.03577	1.1
134.99658	10.5
135.04320	8.6
137.02951	39.0
139.03905	5.5
142.03479	4.2
143.00145	1.0
143.01872	10.4
144.99817	3.2
145.01669	0.8
145.03421	5.0
146.99654	2.3
147.01357	1.9
147.03250	1.0
147.05122	5.4
149.01202	2.6
149.02943	2.7
150.99132	1.6
151.04617	6.7
153.00697	2.8
153.05377	0.9
155.01889	2.5
156.05072	1.3
157.03499	3.2
158.99620	1.8
159.01361	1.5
160.04561	1.8
161.02943	58.9
162.03098	2.1
163.00873	1.7
163.03972	4.5
164.04211	1.5
165.00652	1.1
168.99840	5.7
171.00079	0.8
171.01361	5.1
172.94316	1.8
173.01387	1.3
173.02930	10.7
174.00603	0.7
175.00906	2.3
175.04521	2.8
177.00705	2.0
177.02271	1.1
178.05006	4.0
178.55168	3.4
179.02364	1.0
179.03983	3.9
179.05333	0.9
184.04564	2.6
185.02881	1.8
185.04254	1.1
187.00847	19.9
187.04472	6.8
188.00958	1.1
189.00861	0.8
189.02435	12.6
189.06055	0.8
190.02608	0.8
190.05812	0.7
190.95381	5.9
191.02318	0.9
191.03993	10.8
193.00204	3.6
193.01842	1.6
193.03748	0.9
195.01764	0.8
195.53896	1.0
196.99301	2.8
197.03175	0.8
199.00870	8.5
199.02570	1.1
199.04442	4.1
201.02477	3.1
203.04008	2.7
205.01926	10.2
205.03685	1.3
205.05453	3.3
206.97951	0.7
207.01820	1.1
207.03525	4.2
208.96440	3.1
210.02519	0.8
211.04565	0.9
214.05708	1.0
215.00351	23.3
216.96938	1.3
216.99875	1.3
217.01933	22.8
217.03905	1.2
217.05540	2.5
218.02028	0.8
219.01712	1.6
219.03532	6.8
220.99550	0.7
221.05074	5.1
229.01930	6.6
229.05553	3.3
231.03473	2.2
232.96477	3.0
233.01370	4.3
234.99765	0.9
235.02986	1.5
237.02626	3.7
237.04799	0.8
238.01961	1.5
238.92827	0.8
240.03445	1.2
247.02995	23.8
248.02997	0.9
248.99321	1.2
250.97466	3.3
251.02428	1.5
259.03098	1.2
259.06381	1.8
261.07581	0.8
264.95444	0.7
265.04019	9.0
267.00403	1.6
269.03098	0.7
270.04645	2.1
271.06177	0.8
272.56702	0.8
274.97473	3.9
277.03998	2.2
285.01071	0.9
288.60007	0.9
289.04007	9.7
289.07620	9.9
289.20456	1.2
292.98499	4.1
293.03424	1.5
306.96494	1.2
306.99777	1.0
307.05054	11.6
307.08694	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	289.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45079	0.8
55.01859	2.8
56.96553	4.9
57.03425	4.2
61.02916	3.2
65.03921	1.4
69.03419	8.0
69.69639	5.5
70.03779	0.8
73.02923	5.1
77.00879	1.2
78.91061	0.8
81.03414	1.9
81.04529	1.8
81.25115	0.9
82.99853	2.1
85.02893	13.0
86.03221	1.9
87.04444	1.2
93.03316	0.9
97.02882	6.5
98.20753	1.9
98.97576	7.4
99.04461	1.8
101.00867	12.8
107.04961	1.2
107.66577	0.7
109.02873	2.3
110.97525	1.1
111.04459	4.5
113.00877	1.1
115.02429	13.8
116.02473	0.8
116.98595	6.5
117.04028	1.2
119.01907	100.0
120.02003	2.8
121.01550	0.9
121.02368	1.1
123.04408	6.9
127.03914	11.5
127.05006	2.8
128.02309	0.9
128.98666	1.0
129.03973	3.3
131.01889	9.3
133.01840	1.2
133.03461	32.2
134.03560	1.5
134.99657	2.6
135.04324	11.7
137.02948	31.1
139.03893	6.0
142.03503	3.9
143.00098	1.0
143.01871	11.6
144.99817	3.4
145.03499	4.5
145.04970	3.1
146.02306	1.1
146.99611	2.2
147.01378	2.2
147.05029	9.3
149.02902	3.0
151.04639	4.9
155.01849	2.5
155.02907	1.3
157.03448	3.3
158.99599	1.0
161.02940	51.9
162.03131	2.8
163.02710	1.7
163.03934	4.3
165.00674	0.8
168.99799	9.1
171.01433	3.9
173.02927	11.8
174.99350	0.8
175.00833	1.5
175.02812	1.6
175.04416	2.0
177.00781	1.7
177.02567	1.6
177.04082	1.5
179.02498	0.9
179.03998	4.8
184.04648	1.8
185.02960	3.4
186.04704	6.2
187.00874	24.1
187.04482	2.4
188.00862	1.0
189.00760	1.8
189.02406	16.3
191.03972	12.9
191.54134	1.1
192.05573	1.3
193.00110	1.4
193.02003	1.2
193.03711	0.9
196.99338	3.0
198.55615	3.6
199.00844	6.5
199.05821	1.2
200.04407	1.9
201.00761	1.6
201.02460	3.3
203.03979	3.6
205.01909	12.2
205.03667	1.5
207.03406	5.3
207.55937	1.9
215.00348	30.6
215.03856	2.0
217.01910	17.2
217.03642	0.8
218.01852	1.9
219.01765	1.5
219.03529	7.5
221.05093	3.6
223.03043	1.3
229.02017	7.2
231.03517	2.9
231.99786	0.9
233.01447	5.2
235.02946	1.4
237.02739	1.9
238.01956	1.9
239.05969	1.6
240.03476	0.9
247.02982	34.1
248.03058	1.4
250.05249	1.0
251.02260	1.2
257.05060	1.3
259.06290	1.4
261.07614	1.7
263.06149	1.1
264.06293	0.9
265.03995	11.4
269.05228	1.2
270.04568	2.1
271.05957	1.1
274.97464	1.3
275.02570	1.2
277.04022	1.9
280.06311	1.0
289.04004	7.9
289.07285	3.6
289.17743	1.0
292.98544	1.3
295.06860	1.1
307.05069	7.6
307.08496	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
50.74594	0.8
51.02382	0.8
56.96559	1.7
65.03936	2.2
67.01854	3.7
67.05484	1.0
68.99783	3.4
69.03416	3.1
69.07047	0.9
69.90107	4.4
69.90524	1.6
79.05480	2.8
79.11455	0.8
81.03401	2.3
81.07048	2.1
81.54442	0.8
85.02907	2.5
85.41120	0.7
89.03899	4.4
91.05472	2.0
93.03378	1.9
93.07041	2.3
95.04966	1.1
95.08597	1.0
97.02897	1.5
98.20840	1.8
98.97546	2.1
107.04933	4.4
107.08578	1.0
109.06533	1.0
109.10139	1.5
111.00787	3.0
111.04425	12.5
116.98662	1.5
117.03373	6.5
119.08639	1.1
120.08038	1.4
121.02834	1.4
121.10201	1.1
123.04414	19.1
127.03897	4.1
134.99698	1.1
135.04401	44.5
135.08154	0.8
137.02341	2.0
137.05951	2.0
139.03882	16.8
141.06978	1.0
142.43697	1.3
145.02859	9.6
145.04982	1.0
147.11726	1.3
148.07626	0.9
149.02364	3.1
151.03894	6.1
153.01807	96.2
158.99724	1.2
159.04398	1.7
161.05984	1.2
163.03886	62.0
164.04343	0.9
164.07034	5.3
169.01280	1.9
171.02884	11.8
177.05484	1.2
179.03342	7.2
184.09216	0.9
185.04401	0.8
185.05934	1.3
187.03914	1.5
197.05981	1.5
205.04929	1.9
213.05443	1.0
230.09735	1.0
231.06519	2.2
247.05914	1.2
259.06021	4.1
261.07529	1.6
268.06662	1.3
271.05920	4.4
271.14249	1.5
277.07175	3.9
277.57330	1.5
288.57913	1.0
289.07040	100.0
289.15240	4.8
289.18073	1.7
290.07397	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	289.0702
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.48337	0.4
55.01858	0.4
65.03925	0.8
67.01855	2.3
67.05460	0.7
68.99775	2.8
69.03413	1.7
71.40795	0.7
79.05464	1.4
81.03434	0.6
81.07047	0.6
85.02879	0.7
89.03911	5.2
93.03405	0.9
93.07050	0.7
95.04927	0.5
95.08543	0.4
97.02882	1.2
107.04954	2.6
111.00797	4.0
111.04420	4.4
117.03371	7.6
120.08082	0.5
123.04412	7.4
127.03886	1.2
131.04910	0.5
135.04398	21.0
137.02307	0.6
137.05962	0.8
139.03879	4.5
145.02818	11.2
149.02327	0.5
151.03897	2.3
153.01810	100.0
154.02174	1.1
159.04410	1.6
161.05940	1.1
163.03886	63.8
164.04198	0.8
164.07059	2.7
171.02863	5.2
177.05470	0.7
179.03381	5.5
187.03903	2.2
205.04942	1.3
247.05951	0.9
253.05051	0.5
259.06079	0.4
261.07590	0.4
271.05954	2.7
271.14297	0.6
289.07034	83.5
289.15433	2.1
289.25327	0.6
290.07336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.03952	0.5
55.01854	1.3
58.56483	0.5
59.60843	0.5
65.03932	6.7
67.05478	1.8
68.99770	2.5
70.87936	1.1
70.88304	1.3
75.63062	0.5
76.41501	0.5
77.03937	0.6
79.05484	1.7
81.03402	1.3
83.04951	0.7
89.03904	3.4
91.05491	0.6
93.03387	5.6
95.04954	2.6
103.05450	1.4
105.03366	0.6
107.04947	5.5
109.02882	0.7
111.00812	0.7
111.04427	30.3
112.04741	0.6
114.65676	0.5
117.03402	2.8
121.02855	2.1
123.04414	60.0
123.72128	0.6
124.04792	0.7
127.03894	10.8
127.04789	0.8
129.06935	0.8
130.12315	0.8
131.04900	2.8
135.04398	100.0
136.04720	0.9
137.02339	3.4
139.03885	54.6
140.04298	0.6
141.06953	0.8
147.04370	0.7
149.02324	16.8
149.05962	2.6
150.03081	1.7
151.03879	24.1
153.01768	0.8
157.06493	1.5
159.04410	2.3
161.05972	0.7
163.03889	15.4
169.06432	0.8
173.05972	1.3
175.07541	0.9
177.05479	2.2
179.03365	2.9
185.05971	2.2
187.03874	0.8
187.07471	0.6
197.05997	2.1
201.05443	1.6
203.06999	1.3
205.04991	0.6
213.05460	5.3
215.06972	2.6
217.04948	1.0
225.05479	1.5
229.05014	1.4
231.06509	11.8
241.04910	2.3
243.06538	2.3
245.04228	0.6
259.05997	17.8
260.06384	0.8
261.07544	8.9
271.06021	7.6
289.07037	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	289.0703
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
55.05481	0.5
57.02870	0.5
65.03925	1.1
67.01855	5.9
67.05487	0.8
68.99771	4.2
69.03427	2.1
69.29456	3.0
69.29878	1.4
71.04958	0.6
79.05478	1.4
81.03416	0.8
81.07049	0.9
82.83830	0.4
83.04952	0.4
85.02892	1.2
89.03905	3.8
91.05470	1.1
93.03404	0.9
93.07027	1.5
95.04986	0.7
95.08583	0.6
97.02895	2.0
97.06538	0.5
98.20747	0.7
98.21420	1.3
105.07011	1.2
107.04947	2.6
109.06441	0.5
111.00794	2.6
111.04427	5.4
117.03364	6.6
121.06470	0.7
121.10115	0.8
123.04412	10.8
125.02323	0.8
127.03903	2.7
129.01810	0.8
131.04919	0.8
134.89188	0.4
135.04398	24.2
136.04680	0.4
137.02338	1.4
137.05965	1.7
139.03873	7.8
143.04868	0.4
143.08580	0.4
145.02823	8.7
145.10089	0.6
149.02321	1.4
149.09637	0.6
150.96556	0.4
151.03882	3.8
151.11150	1.8
153.01805	100.0
154.02122	1.1
159.04414	1.1
161.06015	0.6
163.03883	60.4
164.04153	0.5
171.02866	30.7
177.05490	0.4
179.03381	6.7
187.03773	2.3
205.04976	1.5
217.12250	0.5
231.06433	1.1
236.57487	0.4
243.06586	0.5
247.06017	0.9
253.04759	0.5
259.05994	1.5
260.08023	0.6
261.07565	1.2
271.06009	3.3
271.10629	2.7
289.07022	94.6
290.07330	2.6
296.18970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
53.03933	1.0
55.01869	0.9
62.36383	0.8
65.03926	3.4
67.05489	2.7
68.99774	3.5
69.31253	0.8
70.96635	1.2
70.96979	1.9
77.03928	1.1
79.05508	1.4
81.03399	1.3
83.01335	1.3
83.48504	0.9
86.72558	0.9
89.03909	2.5
91.05492	1.5
93.03384	2.5
95.04939	7.4
97.02908	1.0
105.03375	1.8
107.04940	16.4
107.05606	1.4
111.00800	1.3
111.04432	10.7
117.03364	2.2
121.02830	3.9
123.04412	100.0
123.68102	0.9
127.03904	5.2
131.04919	3.2
135.04401	31.2
135.05397	1.9
137.02290	1.1
137.05968	1.2
137.86118	0.9
139.03889	32.1
141.06934	1.5
145.02847	2.9
145.06427	1.8
149.02322	20.0
149.05969	1.5
149.26501	0.8
151.03868	11.5
153.01811	14.1
159.04430	2.6
163.03883	27.6
167.03365	2.1
169.06467	2.2
173.06087	1.5
175.07516	0.9
177.05490	1.8
179.03442	1.4
185.06038	1.6
187.03838	4.0
195.02953	1.5
197.05983	3.6
205.04965	3.1
213.05554	1.9
215.06996	17.6
225.05463	2.6
225.13736	1.1
229.04968	1.0
229.16847	0.9
231.06480	2.1
241.04909	1.5
243.06485	21.5
245.04449	4.2
253.04893	1.7
259.05945	2.6
261.07581	3.4
269.07550	0.9
271.06027	11.9
271.14505	1.1
289.07025	21.5
289.15479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03932	0.5
55.01854	1.2
55.30190	0.4
56.96549	1.6
61.02901	1.3
61.67102	0.3
62.73549	0.4
65.03924	1.5
67.05493	1.1
68.99783	0.5
69.03418	2.2
69.07060	0.6
69.84022	1.9
69.84425	0.9
70.06576	0.7
71.04989	0.5
79.05485	0.9
81.03410	1.3
81.07039	0.7
85.02900	5.0
89.03905	0.6
89.91395	0.4
91.05468	0.9
93.03379	0.9
95.04946	1.2
95.08588	0.7
95.58475	0.4
96.42565	0.4
97.02862	1.8
98.21425	0.4
98.97567	1.4
98.98487	0.6
99.04415	0.5
101.00918	0.4
105.03362	0.5
107.04932	1.1
109.02866	1.3
109.06500	0.8
111.00785	0.4
111.04435	8.2
116.98585	1.5
117.03403	1.0
119.01897	0.9
121.02825	0.4
121.10110	0.6
123.04426	20.2
127.03910	100.0
127.07549	1.1
128.04227	1.4
128.98613	0.4
131.01866	1.1
131.04916	1.1
134.99664	1.5
135.04407	20.9
139.03893	13.9
139.04988	0.4
145.04874	0.9
147.04329	0.5
149.02249	2.9
149.05954	0.7
151.03876	5.7
152.04578	0.5
159.04379	0.6
159.08139	0.4
163.03893	5.5
169.00121	0.5
173.02840	0.4
177.00702	0.7
177.05478	0.9
187.08058	0.7
189.64621	0.4
191.03963	0.6
199.08142	1.5
201.05598	0.4
202.54544	0.4
205.05090	0.6
205.09161	0.9
213.05478	1.7
217.09265	0.9
221.05023	1.0
231.06468	1.9
231.13808	0.4
241.04971	0.4
241.09523	0.4
243.06572	0.9
259.06015	3.4
261.07562	2.3
267.00327	1.6
271.06070	2.3
285.01208	1.1
289.07098	3.2
289.12585	34.9
289.17804	1.0
307.12515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01865	1.4
56.96560	3.7
57.03421	0.8
57.07063	0.7
58.04753	0.7
61.02896	0.7
61.30687	0.7
65.03925	2.8
67.05476	1.6
68.99776	1.5
69.03407	2.5
69.07057	2.1
71.52442	1.1
73.02908	0.8
74.97563	1.5
77.00874	0.6
79.05482	1.9
81.03396	2.4
81.07024	1.1
85.02886	7.1
85.06550	0.7
86.09687	0.9
88.22844	0.6
89.03897	1.4
89.91277	0.6
91.03962	0.7
91.05493	0.7
93.03388	1.8
93.07034	0.7
95.04957	2.4
97.02869	2.8
98.97605	3.0
98.98484	0.6
99.04450	1.7
107.04936	3.2
109.02871	2.0
109.06438	0.6
111.04432	13.2
116.98600	3.7
117.03381	1.8
118.01022	0.6
119.01897	3.0
121.06541	0.7
123.03715	0.7
123.04417	31.8
127.03904	100.0
131.01913	2.2
131.04947	1.7
133.03458	1.1
134.99672	2.8
135.04404	34.5
137.02278	1.4
139.03888	22.7
141.06912	0.7
145.04959	0.9
147.04251	0.8
149.02284	5.8
150.03175	0.6
150.99139	1.4
151.03876	8.7
155.01843	0.6
156.02611	0.8
158.99634	0.9
161.01273	1.0
161.02969	1.0
163.03880	8.1
169.00185	1.0
173.03015	1.4
174.99097	0.8
177.00673	1.5
177.05592	0.7
179.03412	1.0
185.05968	0.7
187.08163	2.6
191.07510	0.9
193.00247	1.5
193.03726	0.6
197.05952	0.9
199.08141	3.1
205.04951	0.8
205.09245	1.5
206.98177	0.8
211.07999	1.0
213.05467	1.4
215.07225	0.9
217.09238	2.8
221.05045	1.3
225.05544	1.1
231.06581	3.5
241.04880	0.8
243.06737	0.9
245.04523	1.0
259.05988	5.0
259.81781	0.6
261.07617	4.1
267.00211	5.1
271.05945	3.2
285.01236	3.3
289.07108	5.4
289.12570	94.2
290.13049	1.1
307.12326	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	289.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01863	3.5
55.05506	7.8
56.96551	4.5
57.03415	2.2
60.04547	1.7
65.03941	6.6
67.05500	19.2
68.92658	1.8
68.99792	2.3
69.03413	10.1
69.07061	15.3
71.04990	16.0
71.63366	2.6
72.08152	4.3
73.02912	2.7
79.05490	27.7
81.03413	6.2
81.07050	40.7
83.04967	17.1
84.04494	7.5
85.02895	5.8
85.06540	8.8
91.05477	16.2
91.29121	1.7
93.03399	3.4
93.07036	51.4
95.04963	17.0
95.08594	37.1
97.02864	2.8
97.06518	24.9
98.97603	4.3
99.04440	19.8
102.89790	2.0
103.03947	1.8
103.05448	4.2
105.07019	31.6
107.04951	12.8
107.08589	28.8
109.02882	3.1
109.06509	21.6
109.10140	5.2
111.00864	2.4
111.04437	34.3
111.08056	15.8
113.05983	5.4
117.03414	4.5
117.07002	2.5
119.08582	15.0
120.08076	1.9
121.02866	7.5
121.06494	56.1
121.10117	18.9
123.04420	51.1
123.08070	8.5
123.11689	8.8
125.05978	14.8
127.03914	17.2
127.07544	8.1
129.06998	4.5
131.04921	10.7
131.08546	9.1
133.06477	3.7
133.10146	18.9
135.04402	100.0
135.08009	9.2
135.11633	3.4
136.04753	4.1
137.02336	5.2
137.05984	10.2
139.03886	47.0
139.07530	15.7
139.11177	6.1
140.04262	2.4
140.07068	3.7
141.05473	2.2
141.06964	2.6
142.07790	2.5
143.07040	7.3
143.08542	4.6
145.06465	3.0
145.10114	7.7
147.08060	4.9
147.11685	34.4
149.02283	9.5
149.05978	3.1
149.09650	8.7
149.13235	3.7
151.03906	23.8
151.07520	4.5
151.11168	6.8
153.01804	12.6
156.09279	2.0
157.08617	8.7
157.10138	10.6
157.12230	3.2
157.52707	1.9
159.04453	2.6
159.06537	13.3
159.07819	2.2
159.11668	2.6
161.05989	2.5
161.13261	8.4
163.03888	21.2
165.12755	8.4
167.10689	8.0
169.01237	2.1
169.12236	11.2
171.02881	3.6
171.07993	3.1
171.11649	10.6
173.09534	3.1
173.13228	2.6
175.11166	27.2
177.05408	4.5
179.03484	3.4
181.10132	5.3
184.08931	1.9
185.05945	2.7
185.11685	3.0
186.14909	4.3
187.07628	2.7
189.12698	20.5
191.10641	2.0
193.12227	29.4
197.06030	2.6
199.11143	19.6
207.13799	20.0
211.13237	26.2
217.12212	72.9
227.44879	1.8
229.14395	9.5
231.06534	7.6
231.13731	2.9
235.13268	75.4
241.05086	2.1
243.06558	4.2
244.09706	2.8
253.14319	49.1
254.14626	3.1
259.06003	9.0
261.07507	9.2
271.05966	6.3
271.10754	3.2
271.15338	3.4
289.03354	4.7
289.06784	18.9
289.11581	6.7
289.14694	3.2
289.18036	6.9
290.17642	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1794
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
53.03928	0.8
55.01864	3.3
55.05261	0.9
55.05503	11.7
56.05017	1.4
57.03428	16.1
57.07056	2.4
58.06580	0.7
59.69461	0.5
60.04511	0.5
65.03918	1.8
67.05492	8.3
69.03423	1.1
69.07045	2.4
69.94643	0.5
70.37394	1.9
71.04961	0.6
71.08617	1.1
74.06065	2.3
79.05053	0.9
79.05477	10.5
81.03423	3.5
81.07043	9.6
83.04975	2.6
83.08610	3.1
85.06519	1.6
88.07613	8.4
89.07955	1.9
91.05470	12.0
93.03361	1.2
93.07026	7.7
95.04954	4.3
95.08595	4.8
97.06497	1.6
97.10167	4.4
100.86591	0.5
103.05439	1.6
105.03376	1.1
105.04449	0.8
105.06367	0.9
105.07014	7.9
106.08633	2.5
107.04945	7.4
107.08547	6.2
109.06511	4.1
109.10157	3.2
111.04428	5.5
111.08078	0.9
115.05443	1.6
117.07005	8.0
119.04938	1.0
119.08559	14.3
120.06542	0.6
120.08987	0.9
121.06472	5.7
121.10083	2.2
123.04410	8.8
123.08039	1.0
123.11699	0.6
125.06019	0.6
125.09617	2.2
127.03887	2.3
128.06151	0.7
129.06999	3.9
131.04039	0.6
131.04842	3.1
131.08549	5.2
132.05643	0.7
133.06488	3.5
133.10138	2.9
135.04393	13.6
135.08037	8.7
135.11691	0.9
137.08563	0.6
137.09570	2.2
139.03900	7.3
141.06985	1.9
143.08505	3.8
144.05652	1.3
145.06456	4.8
145.10077	4.0
147.07991	6.1
147.11632	1.8
149.02324	1.8
149.05904	1.1
149.09639	2.9
149.31732	0.6
151.03902	3.3
151.07472	0.9
153.09038	1.6
155.08556	2.5
157.10094	2.2
158.07399	0.6
159.08035	33.0
159.11668	1.6
160.08830	5.0
161.09595	4.1
163.03856	2.6
163.07494	2.2
163.11125	1.0
169.10048	1.1
171.11684	1.4
173.09625	3.8
173.13196	1.1
175.07436	1.1
175.11122	1.5
177.09096	4.6
179.03340	1.0
183.11571	0.9
185.09592	2.1
185.13150	0.8
187.11151	1.5
187.14763	1.2
189.11208	0.8
189.12776	1.4
193.12190	2.0
195.11714	0.7
197.09622	0.9
197.13249	1.0
199.11205	1.1
206.10728	0.6
211.11191	1.7
213.05385	0.7
215.14304	4.8
215.17751	0.7
225.12730	1.2
225.16370	0.8
229.16040	1.0
231.06517	1.3
231.13713	1.4
233.13188	1.0
233.15338	10.6
242.24759	2.8
243.17418	4.7
243.25148	2.1
253.15854	3.8
259.06033	1.3
261.07498	2.0
261.18500	1.1
271.06024	1.3
271.16898	23.1
289.06927	1.8
289.17932	100.0
289.25549	10.2
289.29147	7.8
290.18243	4.5
290.26843	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	289.2522
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.65187	1.1
55.01854	2.5
55.05256	1.6
55.05503	20.4
57.07061	5.8
58.00256	1.3
62.49620	1.1
65.03935	2.1
67.05496	21.3
68.54580	1.2
69.03405	3.4
69.07059	43.0
69.35374	13.9
71.04978	2.8
71.08616	2.4
79.05482	12.3
81.03398	1.8
81.07047	80.0
81.10845	1.2
82.43386	1.5
83.04950	2.1
83.08606	17.3
84.04491	3.1
85.02862	2.7
85.06533	6.2
91.05460	12.2
93.07033	37.8
94.07376	1.2
95.04943	4.8
95.08595	54.5
96.04450	1.4
97.06514	5.7
97.10145	5.8
98.20679	2.4
99.08073	3.8
105.07013	29.1
107.04925	3.2
107.08572	44.9
109.06496	5.9
109.10140	35.4
110.62827	1.2
111.04429	11.2
111.08048	6.8
111.11715	6.6
117.06992	2.4
119.08559	22.2
121.06557	1.7
121.10128	37.3
123.04408	18.1
123.08050	3.1
123.11693	51.4
125.09622	4.6
127.03873	5.7
131.08543	4.8
133.10130	16.0
135.04399	32.0
135.11668	29.1
137.05937	3.9
137.09554	6.7
137.13249	11.4
139.03882	14.9
139.11148	4.6
143.08546	1.5
145.10066	7.7
147.11671	19.2
149.02361	2.2
149.13239	21.9
151.03894	6.9
151.11157	5.4
151.14783	2.7
151.60396	1.2
153.12714	2.2
157.10165	1.6
158.92433	1.4
159.11676	11.1
161.09563	1.3
161.13260	16.3
163.03882	4.9
163.14784	13.3
165.12743	7.7
167.14276	1.8
173.13278	9.3
175.14795	14.2
177.12799	1.7
177.16365	8.6
179.03378	1.5
179.14287	3.5
185.13261	1.7
187.14673	5.9
189.16365	10.8
189.18016	1.8
191.17903	3.0
193.15816	3.1
201.16357	7.4
203.17957	8.9
205.15855	2.0
207.17419	3.1
215.17953	6.8
216.18443	1.2
217.19600	3.1
219.17416	2.3
219.78302	1.3
229.19505	3.9
231.06491	2.0
231.13876	2.7
233.18945	3.6
243.06427	2.3
243.21274	2.6
245.22632	19.5
259.06003	2.9
261.07663	3.0
271.05963	2.3
271.24179	20.5
289.06177	6.8
289.15131	2.0
289.18155	3.2
289.25217	100.0
290.17389	1.6
290.25604	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.02370	1.6
53.03930	2.4
55.05507	12.6
57.07059	5.6
65.03946	7.4
67.05499	17.3
68.99783	4.0
69.03415	2.2
69.06711	1.9
69.07062	21.2
70.78748	1.4
70.83575	5.5
71.04980	14.0
79.05490	15.1
81.03418	3.0
81.06567	3.3
81.07047	59.8
83.04951	3.2
83.08621	8.4
83.23063	1.4
84.04484	6.0
85.02905	4.0
85.06535	2.2
87.74380	1.5
89.03891	2.5
91.05466	15.0
93.03388	4.8
93.07035	48.8
95.04960	8.7
95.08601	38.7
97.06507	2.8
97.10164	5.3
99.08099	4.6
103.05433	3.3
105.07019	21.1
107.04925	6.0
107.08588	39.1
109.06434	3.1
109.10149	39.0
109.10898	1.6
111.04427	32.6
111.08050	3.3
111.11713	4.0
117.03324	1.7
117.07026	3.8
119.08569	23.7
121.06444	2.2
121.10131	41.0
123.04414	52.2
123.08034	2.8
123.11677	14.4
125.09619	2.9
126.05506	3.7
127.03899	10.5
127.06295	1.4
127.11183	18.0
129.07027	2.5
131.04895	2.2
131.08543	8.0
133.06450	1.8
133.10127	13.8
133.51535	1.6
135.04401	100.0
135.07954	3.3
135.11655	19.7
136.04752	3.3
137.02328	4.1
137.05965	1.8
137.09605	2.3
137.13240	5.8
139.03886	52.1
139.11174	2.9
143.08566	3.7
145.06430	2.5
145.10100	11.5
147.08072	2.4
147.11684	18.7
149.02318	10.1
149.05986	3.9
149.13228	34.0
151.03888	21.0
151.07513	1.9
151.11192	2.4
153.05534	1.8
157.06520	1.7
157.10136	4.5
159.08090	2.8
159.11665	11.8
161.13235	10.9
163.03891	16.1
163.11101	2.1
163.14815	11.2
171.11713	2.3
173.05899	1.7
173.09598	2.3
173.13300	10.4
175.14766	7.1
176.14333	4.4
177.05377	1.6
177.16388	3.5
179.03394	2.0
179.14310	1.8
185.13219	3.7
187.14815	13.3
189.09108	2.6
189.16356	4.1
191.17923	5.2
193.15939	2.6
195.41109	1.7
197.06001	3.4
201.16362	6.5
203.14462	1.4
203.17950	31.5
213.05460	2.9
213.12683	2.1
215.17964	6.5
217.19603	2.7
219.17334	2.0
225.05466	2.0
229.19493	1.8
231.06522	8.3
231.13670	10.7
241.05013	2.0
243.06487	2.7
259.05963	11.3
261.07578	8.8
271.06067	8.1
271.16937	5.2
271.24149	25.0
289.06470	14.4
289.14828	2.4
289.17981	17.3
289.25220	43.9
290.17627	5.5
290.21152	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	290.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64782	0.5
55.01869	0.5
55.05502	1.5
56.05027	4.0
56.96556	1.9
57.07070	3.6
58.06586	1.7
60.04512	1.9
65.03928	1.4
67.05499	9.3
68.05812	0.4
69.07063	4.1
70.48174	0.5
71.08622	1.3
71.61320	0.9
74.06067	3.7
74.70403	0.5
79.05493	3.4
81.07055	4.2
82.06589	2.2
83.04967	1.0
83.08595	0.7
85.10178	0.6
86.06043	0.8
88.07619	13.8
88.08142	1.0
91.05472	1.9
93.03399	0.6
93.07034	3.9
95.04961	1.2
95.08581	3.1
97.06506	2.8
105.07044	2.5
107.05000	0.6
107.08573	4.3
109.02825	0.4
109.06492	0.7
109.10147	1.0
110.06030	30.7
111.04431	10.4
111.05190	0.6
117.06999	1.6
118.08633	2.4
119.08583	2.4
121.06540	0.5
121.10144	0.6
122.08140	1.8
123.04425	3.1
127.71072	0.4
129.07028	1.0
131.08568	1.7
133.10135	1.3
135.08054	1.2
135.11679	3.6
137.05937	1.0
138.05486	100.0
139.03909	2.8
139.05849	1.1
140.64751	0.5
142.07748	0.7
143.08536	2.5
145.06563	0.6
145.10118	2.3
147.04279	0.7
147.07990	0.9
153.12715	0.5
157.06548	0.9
157.10104	1.3
159.11650	1.2
161.05907	0.5
161.09633	0.8
163.07541	1.1
168.13834	0.5
171.08134	0.5
175.07481	1.0
177.09050	0.6
185.13258	4.5
195.11691	0.8
197.04443	0.5
203.14142	0.9
213.12730	1.6
226.11133	4.2
231.13760	12.4
242.24773	16.9
244.12178	3.7
267.09042	2.2
267.13583	0.9
272.25815	1.2
273.15149	0.6
273.18353	1.2
285.10071	1.8
290.17514	13.3
290.26859	45.9
291.19550	4.6
308.11795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01856	3.3
55.05503	12.1
56.05896	1.1
56.96561	45.2
57.03420	1.2
57.07059	3.6
65.03928	2.2
67.05497	17.1
68.99777	1.1
69.03412	2.6
69.07066	17.6
69.63202	7.5
71.04971	2.9
71.08626	1.6
71.95269	1.6
79.05479	10.6
81.03389	3.1
81.07050	38.9
83.04967	2.0
83.08624	8.9
84.96024	2.6
85.02903	0.9
85.06528	2.1
91.05472	10.0
92.45943	1.0
93.03386	1.5
93.07037	18.4
95.04980	8.0
95.08596	28.7
97.02887	1.4
97.06501	2.7
97.10157	4.2
98.21502	1.7
98.97573	93.8
99.08072	1.7
105.07019	10.4
107.04949	2.5
107.08590	19.2
109.02854	3.7
109.06499	4.4
109.10148	16.9
110.97557	2.2
111.04430	3.6
111.08081	3.7
111.11693	3.0
112.99089	1.7
115.05447	1.7
116.98610	100.0
117.07003	3.4
119.04915	3.8
119.08582	8.1
121.06519	1.7
121.10130	11.2
123.04424	48.3
123.08053	2.9
123.11700	10.3
124.99014	1.7
125.09657	1.8
128.98584	5.6
129.07007	1.9
131.00140	4.2
131.08554	4.2
133.06528	2.1
133.10127	5.3
134.99646	82.1
135.04388	1.1
135.08043	4.0
135.11684	7.0
137.05949	1.3
137.09625	2.9
137.13263	4.9
139.03891	92.0
140.00183	7.5
140.04193	1.5
140.98592	3.7
143.00139	11.7
143.04912	1.4
143.08527	3.3
145.10112	2.8
146.99637	7.0
147.04384	13.9
147.08017	2.8
147.11705	5.0
149.01186	7.1
149.06071	0.9
149.09615	3.2
149.13246	10.8
151.03896	2.3
151.07515	1.5
151.14816	1.4
153.00685	12.3
153.05475	1.1
153.12773	1.1
156.98128	1.7
157.10120	3.4
158.01237	9.1
158.98567	1.3
158.99660	11.0
159.11696	2.6
161.01210	57.7
161.05983	6.5
161.09596	2.3
161.13254	3.2
163.03917	2.2
163.14842	6.3
165.00708	1.0
165.05463	13.0
165.09082	2.0
166.01752	1.4
169.04971	2.3
170.99611	9.1
171.11650	2.1
173.01210	2.4
174.99150	5.2
175.11111	2.6
175.14870	2.3
177.00696	24.5
177.02150	1.7
177.16391	3.8
179.02263	15.2
179.07039	1.5
182.99620	4.6
184.02826	7.2
185.01224	2.0
185.13248	2.0
189.00694	37.9
189.05499	1.4
189.12761	2.3
190.69058	1.1
191.02234	3.0
191.17912	1.7
193.00229	2.0
195.01772	9.3
198.00659	1.0
199.11038	1.2
200.02371	2.4
201.00685	40.9
202.03825	1.1
203.17877	1.5
207.01758	10.7
207.04811	1.2
207.06500	5.7
212.02318	8.6
213.00716	2.2
213.12646	1.2
217.19403	1.9
219.01735	43.6
224.02287	5.7
230.03381	2.3
231.01694	6.3
231.13765	3.7
232.14145	2.9
233.04637	1.1
233.15169	1.3
237.02806	7.2
242.03316	8.1
245.19067	1.1
249.02792	46.2
255.17422	1.4
259.02399	1.1
267.01010	1.2
267.03873	22.6
268.10968	1.6
270.08420	1.3
272.04297	7.7
273.07361	1.2
273.15527	1.3
273.18509	8.4
273.25714	6.8
279.08783	3.0
284.00143	0.9
286.11890	3.0
290.05356	3.1
291.04776	3.7
291.08591	5.2
291.12479	2.4
291.19781	13.0
291.23157	1.8
291.26761	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	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
51.49354	0.3
55.01869	1.9
56.48549	0.3
56.90168	0.3
65.03933	1.3
67.05502	1.7
68.99782	2.0
71.38920	0.4
81.03376	0.3
83.04973	1.3
85.02888	0.4
90.62894	0.3
91.05473	1.4
93.03400	1.1
95.04971	2.6
97.02871	0.5
105.03365	0.5
105.07001	0.5
107.04955	0.4
109.49319	0.3
111.00749	0.4
111.04440	3.1
112.02699	0.3
115.05430	0.9
119.04931	4.8
121.02853	0.5
123.04411	65.2
124.04722	1.0
127.03880	1.5
132.43605	0.4
133.02806	0.3
133.06461	1.3
135.04424	0.6
137.02277	0.7
137.05986	0.7
139.03883	100.0
140.04211	1.8
143.04900	2.7
147.04396	18.5
151.03900	2.4
151.07536	0.4
153.05447	0.6
161.05968	6.9
163.03941	1.7
165.05457	15.9
166.05869	0.4
169.04936	1.7
171.04346	0.4
177.05498	1.1
179.06978	2.5
181.04968	0.4
189.05440	1.9
205.08524	0.4
207.06496	5.0
249.07542	1.3
273.07556	1.2
291.08566	8.5
296.33856	0.4
302.79327	0.3
311.93878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0859
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01863	1.4
61.81586	0.3
64.25957	0.3
64.84426	0.3
65.03921	0.7
67.05499	1.1
68.99782	1.1
70.89147	0.7
83.04967	1.0
83.26224	0.3
91.05490	0.5
93.03403	0.8
95.04958	3.2
99.04414	0.4
105.07009	0.6
105.76824	0.4
107.04831	0.4
111.04444	2.5
111.42497	0.3
114.87688	0.3
115.05457	1.0
119.04925	5.0
119.39606	0.3
121.02865	0.6
123.04417	63.4
124.04760	0.8
127.03896	1.5
131.04958	0.4
133.06465	1.1
135.04439	0.6
137.02310	0.4
137.05949	0.9
139.03888	100.0
140.04208	1.1
143.04898	2.6
147.04396	20.2
151.03899	2.4
151.07614	0.5
153.05467	0.7
159.04451	0.4
161.05960	8.0
163.03841	1.7
165.05460	15.3
169.04984	1.3
177.05502	1.0
179.07007	3.2
181.04971	0.7
189.05423	2.3
202.28854	0.4
203.12645	0.3
207.06502	6.6
249.07573	1.4
273.07626	1.7
291.05634	0.5
291.08640	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	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88765	0.3
55.01860	1.7
65.03938	1.0
67.05500	1.4
68.99473	0.3
68.99779	1.9
69.68687	1.6
69.69101	0.8
76.22567	0.3
77.03929	0.4
83.04984	1.6
84.68735	0.3
85.02911	0.5
91.05473	1.8
93.03401	1.1
95.04952	3.4
95.93498	0.3
98.97574	0.7
105.07008	0.4
107.05002	0.4
111.00848	0.4
111.04433	2.5
115.05453	1.0
116.98657	0.4
119.04925	5.7
123.04418	63.4
124.04741	1.0
127.03888	0.9
133.06494	0.8
135.04472	0.5
137.02396	1.0
137.05966	0.6
139.03889	100.0
140.04216	1.4
141.81671	0.3
143.04924	2.6
147.04398	20.1
148.04785	0.3
150.51396	0.3
151.03905	3.0
151.07526	0.6
153.05409	0.6
159.04346	0.4
161.04605	0.5
161.05969	7.9
161.62651	0.4
163.03941	1.6
163.07520	0.5
165.05469	14.7
165.06862	0.8
169.04965	1.1
177.05487	1.4
179.07010	4.0
181.04980	0.9
189.05437	1.7
190.05737	0.3
207.06496	7.3
249.07584	1.2
270.35059	0.4
273.07504	1.8
291.08600	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	291.086
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
55.01851	0.8
60.64600	0.5
60.72401	0.5
65.03928	1.0
67.05491	1.2
68.99755	1.1
69.72999	1.8
69.73414	1.5
91.05466	0.9
93.03404	0.8
95.04953	2.3
97.02896	0.5
107.04957	0.8
111.04433	2.0
115.05466	0.6
119.04922	4.4
123.04413	61.0
124.04776	1.1
127.03890	1.3
137.06061	0.5
139.03885	100.0
140.04224	1.4
143.04904	2.2
147.03215	0.8
147.04391	18.6
151.03900	2.9
161.05963	6.0
163.03874	2.0
165.05458	18.8
166.05634	0.5
169.04947	1.9
176.95129	0.6
177.05434	1.0
179.06920	3.5
181.04901	0.6
189.05487	1.7
207.06523	7.8
249.07591	1.4
273.07571	2.2
291.08612	8.3
292.09009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.30257	1.3
53.03939	3.3
55.01863	9.8
55.05507	24.8
57.03432	2.2
65.03944	2.1
67.05495	20.2
68.76902	1.4
69.03417	4.4
69.07056	7.9
70.68047	3.8
70.68404	1.7
71.04955	2.7
78.46725	1.3
79.05486	49.0
79.05950	2.7
81.03387	3.7
81.07047	50.6
83.04972	4.0
83.08609	10.4
85.06503	1.4
91.04950	2.3
91.05469	28.0
93.07043	22.2
94.70797	1.3
95.04960	20.2
95.08604	13.6
97.06487	2.2
97.10181	10.0
103.05462	1.3
105.03370	4.1
105.07017	21.2
107.04947	16.5
107.08583	14.2
109.06519	7.3
109.10139	4.8
111.08022	1.8
115.05425	1.7
117.07002	22.6
119.04945	6.5
119.08569	38.0
121.06488	26.4
121.10126	9.1
123.04424	8.9
123.08063	6.7
125.09602	9.0
128.06187	2.1
129.06972	8.5
130.07719	2.4
131.08557	14.9
133.06444	8.6
133.10103	3.8
135.04391	1.4
135.08020	11.4
135.11684	2.3
137.09579	2.3
139.03876	11.7
143.08563	7.6
145.06508	1.6
145.10117	13.6
147.04366	2.2
147.08037	23.2
147.11671	2.6
149.09605	6.7
157.10147	7.8
159.08046	3.3
159.11673	4.8
161.09570	9.4
163.11168	4.8
165.05460	1.3
169.10129	1.7
171.08014	1.6
171.11696	4.5
175.11166	2.0
183.11600	1.3
185.13255	4.2
189.11209	6.4
189.12706	1.7
203.14313	1.9
223.13292	5.3
227.17932	2.7
231.13777	4.5
232.14192	1.6
245.18929	3.5
249.14885	12.4
255.17366	6.6
273.18448	34.7
273.21216	2.7
291.19516	100.0
292.19907	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03927	2.2
54.32235	0.9
55.01865	6.4
55.05258	1.0
55.05505	17.3
57.03418	3.3
57.07046	1.5
67.05166	1.5
67.05499	19.3
67.46339	0.9
69.03397	2.8
69.07059	9.7
70.43029	3.2
71.04976	1.8
74.28844	0.8
79.05486	29.3
81.03398	3.5
81.07050	45.2
83.04969	4.0
83.08604	7.9
85.02917	0.9
85.06530	1.7
91.04955	1.3
91.05472	17.6
93.06460	1.3
93.07037	20.1
95.04960	18.6
95.08601	13.3
97.06509	3.7
97.10153	8.5
99.08073	1.0
103.05440	1.0
105.07015	15.4
107.04946	9.2
107.08582	12.7
109.06509	6.9
109.10149	7.0
111.04404	1.5
111.08067	2.9
115.05459	1.6
116.06189	1.2
117.07006	12.1
119.04913	2.6
119.08581	25.9
120.08931	1.0
121.06476	11.0
121.10123	6.3
123.04411	1.9
123.08061	16.3
124.57690	0.9
125.09619	8.0
128.06187	0.8
129.06976	4.5
130.07800	1.0
131.08546	12.7
131.09489	1.2
133.06465	5.0
133.10077	4.8
135.08029	7.4
135.11678	2.6
137.09605	3.8
139.03897	2.5
141.06979	1.1
143.08531	6.0
145.06439	1.5
145.10104	14.1
147.08029	15.8
147.11659	3.3
149.09601	5.8
153.09084	4.3
157.10103	4.6
159.08022	2.8
159.11679	3.6
161.09605	6.9
163.11166	11.7
165.09074	3.6
169.10023	1.4
171.10252	1.0
171.11684	2.0
173.09564	1.3
173.13173	1.2
175.11147	3.7
181.10114	1.0
185.09772	1.0
185.13264	2.5
187.11223	1.5
189.11165	4.7
189.12695	1.5
193.12265	2.9
199.11188	1.2
213.12827	0.9
220.24780	1.0
223.13208	5.1
227.17775	2.6
229.23396	1.8
237.16405	1.5
245.18932	3.5
249.14813	6.7
255.17432	4.4
273.18481	33.3
291.19504	100.0
291.27023	3.0
292.19888	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
52.93414	1.0
53.03929	2.5
55.01868	6.2
55.05260	1.5
55.05505	18.8
57.03430	11.5
65.03919	1.3
65.92673	0.8
67.05170	1.8
67.05501	24.4
69.03428	6.5
69.07059	10.2
70.88966	2.7
71.04987	6.5
71.97415	1.0
73.06548	0.9
77.86681	0.9
79.05483	33.0
81.03416	7.6
81.07049	40.3
83.04971	8.0
83.08619	6.8
85.06511	3.8
88.07602	1.0
91.05469	31.4
93.07030	28.6
95.04954	11.1
95.08591	18.1
97.06514	8.4
97.10172	2.0
105.07018	27.0
107.04941	13.1
107.08579	18.7
109.05773	1.9
109.06501	28.6
109.10131	5.1
111.08051	2.3
113.05972	1.9
115.05450	2.5
116.06256	1.2
117.07011	14.0
119.04932	2.7
119.07774	1.6
119.08575	19.2
119.09428	1.1
121.06493	17.3
121.10125	12.2
123.04433	4.7
123.08060	9.7
123.11706	4.0
125.09637	1.1
127.41528	0.9
128.06209	1.8
129.06995	9.9
131.08559	21.2
133.06494	6.0
133.10115	12.8
135.08040	29.9
135.11658	4.9
137.09604	2.8
139.03903	6.9
141.06949	1.6
143.08566	9.2
144.09294	1.3
145.06476	1.3
145.10100	14.6
147.04378	1.9
147.08026	7.8
147.11664	7.8
148.08727	1.6
149.09604	22.7
149.13300	1.3
151.07544	1.3
155.08505	1.7
157.10098	8.4
159.08070	1.4
159.11725	7.2
161.09583	8.2
161.13237	1.9
162.10347	0.9
163.11128	3.9
163.14752	0.9
164.49129	0.9
165.12805	1.0
169.10117	2.2
171.11691	4.9
173.09511	1.5
173.13284	3.6
175.11208	4.3
177.12703	2.8
181.10091	1.9
183.11679	2.3
185.13240	2.7
187.11171	1.5
189.12712	2.7
193.12286	1.1
195.11597	0.9
199.11180	1.4
199.14836	2.5
201.12720	1.5
203.14288	2.3
213.16083	0.9
217.15877	6.7
219.13803	3.0
227.17967	2.9
231.17357	1.2
237.16339	2.3
245.18974	5.6
249.14986	1.5
255.17369	3.2
263.20041	2.5
269.10495	1.3
273.15405	2.0
273.18463	45.3
291.19510	100.0
291.27106	3.6
292.19843	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.34745	0.7
55.01855	2.1
55.05506	3.5
57.03419	0.9
57.07056	2.9
59.04987	2.8
67.05502	5.4
69.03410	1.4
69.07036	1.8
70.01232	0.7
70.24966	2.0
70.25389	1.7
71.04981	1.5
79.05479	5.6
80.40900	0.9
81.07047	8.2
83.04975	1.7
83.08613	3.3
85.06535	1.7
91.05450	5.7
92.91229	0.7
93.07026	10.3
95.04950	4.8
95.08595	11.8
97.06516	4.0
105.07022	10.8
107.04940	4.6
107.08570	8.8
108.47152	0.7
109.06502	9.3
109.10127	3.7
111.04455	1.3
111.08066	24.9
112.44601	0.8
117.06963	2.5
119.08563	8.8
121.06489	2.4
121.10121	6.8
122.07249	1.7
123.04390	1.1
123.08047	29.5
123.11655	1.3
125.09641	1.8
129.07004	1.9
131.08568	6.3
133.06462	3.8
133.10100	7.4
134.48000	0.7
135.08055	5.8
135.11690	3.1
137.09601	3.8
138.43523	0.8
139.03862	1.3
139.07603	0.9
142.07764	1.1
143.08553	2.3
144.09306	1.1
145.10104	13.7
147.08022	3.7
147.11674	6.7
149.09567	5.0
151.07521	100.0
152.07899	1.0
155.08618	0.8
155.10695	1.9
156.09331	1.9
157.10129	4.0
158.10828	0.9
159.08087	1.7
159.11678	4.3
161.09633	4.5
161.13217	1.6
163.11244	3.6
169.10110	1.2
171.11658	3.3
173.09575	1.3
173.13222	5.0
174.10344	1.6
175.11150	3.8
177.09088	2.1
177.12709	1.7
179.10625	4.9
181.12173	1.1
185.13214	1.8
187.11156	4.1
187.14795	1.5
189.12711	27.2
190.13516	0.8
191.14290	4.7
192.11386	3.7
197.11694	16.6
197.13248	1.4
203.14349	1.4
205.12213	1.2
205.15811	0.9
207.13776	61.0
212.15460	1.0
213.16391	2.3
215.14313	4.3
217.12167	4.0
231.17429	2.5
233.15343	17.4
235.13268	1.3
237.16406	1.1
255.17389	3.6
273.18399	9.5
273.29819	0.7
291.19498	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	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01846	3.4
55.05505	12.3
56.96550	2.4
57.03413	3.5
57.07056	3.1
59.04990	2.2
65.03899	1.2
67.05494	8.6
67.52370	1.2
69.03417	3.3
69.07040	2.6
69.40573	1.6
69.40923	11.8
71.04972	5.0
79.05486	13.4
81.03378	2.1
81.07045	12.4
83.04953	3.6
83.08607	9.8
85.02887	1.4
85.06544	2.5
91.05463	9.0
93.07034	16.5
95.04968	7.0
95.08588	18.9
97.06521	7.8
98.21407	2.9
99.62379	1.0
105.07021	13.6
107.04940	18.5
107.08583	10.7
109.06494	8.9
109.10138	3.6
111.04468	1.3
111.08067	43.9
113.09647	2.0
117.07015	5.7
119.08562	13.7
121.06522	5.8
121.10131	7.4
122.07281	2.1
123.04411	4.5
123.08054	37.6
125.09641	2.8
129.07024	2.5
131.08556	12.6
133.06459	5.0
133.10101	10.7
135.08026	8.8
135.11647	3.4
135.21353	1.0
137.09579	3.7
139.03903	8.2
142.07742	2.1
143.08562	3.4
145.10100	7.9
147.04440	2.3
147.08057	5.5
147.11702	6.3
149.09596	10.6
149.13191	1.2
151.07527	100.0
152.07880	1.5
155.10625	3.5
157.10114	5.7
158.10829	1.3
159.08083	1.6
159.11641	2.6
161.09596	3.9
163.11124	5.7
165.09010	1.6
169.12286	1.5
171.11673	3.4
173.09534	1.7
173.13255	9.2
175.11147	4.6
177.09067	3.3
179.10657	5.6
181.12263	1.7
185.13155	1.9
189.12718	27.5
191.14301	15.0
192.11464	5.1
193.02322	1.4
195.11746	1.5
197.11717	16.5
197.13388	2.5
207.13783	65.8
213.08002	1.4
213.16368	2.4
215.14314	4.4
217.12216	4.6
231.09000	3.3
231.17461	2.2
232.14186	1.4
233.15338	55.4
243.17258	1.3
249.18433	2.1
255.17361	4.0
269.10538	6.0
273.18466	11.7
287.11499	5.9
291.19504	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03926	3.2
53.71621	1.6
55.01870	10.3
55.05257	2.7
55.05502	33.0
57.03416	2.7
59.04976	1.9
59.40096	1.7
65.03905	2.3
67.05495	26.4
69.03410	5.9
69.07059	10.0
69.65384	12.5
71.04976	3.4
71.22598	1.4
72.40031	1.5
74.05948	1.4
79.05045	3.3
79.05482	47.0
81.03391	3.1
81.07047	47.4
83.04955	5.3
83.08606	11.3
87.53149	1.5
91.05473	49.9
93.07027	23.8
95.04949	14.0
95.08589	11.4
97.06528	2.2
97.10158	20.3
98.21451	3.4
105.03325	3.8
105.07011	24.6
107.04944	11.2
107.08585	21.4
109.06491	7.1
109.10143	9.3
111.08063	2.1
115.05409	2.8
116.06244	2.4
117.07000	24.7
119.04942	4.2
119.08564	54.5
121.06497	13.3
121.10143	9.2
123.04419	6.0
123.08060	3.6
125.09620	17.5
128.06200	3.1
129.07031	9.2
131.08553	24.2
133.06461	5.7
133.10109	6.9
135.08029	13.0
135.11679	4.2
137.09569	3.1
139.03867	5.4
143.08539	11.5
145.06462	2.6
145.10109	21.6
147.08028	36.3
147.11682	2.8
149.09601	7.1
151.07498	2.1
153.09079	1.9
157.06432	1.7
157.10115	7.1
158.09070	1.8
159.08081	1.8
159.11700	8.7
161.09581	8.4
161.13287	2.7
163.11134	2.5
167.08479	2.0
169.10075	2.4
171.11681	6.2
175.11243	2.3
177.12688	2.0
185.13214	4.1
189.11180	13.2
199.14403	2.0
217.15918	2.4
223.13321	4.4
237.16292	2.8
245.19066	4.7
249.14827	6.9
255.17453	8.9
271.97360	1.8
273.18457	100.0
274.18781	2.9
291.19519	78.0
292.19943	2.3
313.23907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03927	2.0
54.05783	0.5
55.01865	7.3
55.05506	15.1
57.03414	1.1
57.07042	0.6
65.03918	0.6
67.05494	13.3
69.03432	2.6
69.07072	5.0
69.92062	3.2
71.04978	1.0
76.86809	0.4
79.05483	28.1
81.03404	1.7
81.07047	32.4
83.04949	2.4
83.08605	6.3
85.06502	0.7
91.05470	17.0
92.06202	0.6
93.07034	14.0
93.07917	0.6
95.04963	11.2
95.08591	10.6
97.06510	1.4
97.10163	9.0
98.20830	0.7
103.05426	1.6
105.03376	2.3
105.07016	13.4
107.04933	7.9
107.08587	9.3
109.06519	3.4
109.10149	3.6
111.08022	1.0
115.05444	1.4
116.06212	1.1
117.07002	14.8
118.30005	0.4
119.04920	2.8
119.08568	28.7
121.06496	12.9
121.10133	4.9
123.08032	2.7
125.09603	7.6
128.06209	1.2
129.07008	5.3
130.07770	0.9
131.04881	0.6
131.08559	10.2
132.05656	0.8
133.06479	5.4
133.10109	3.4
134.07202	0.7
135.04361	0.5
135.08055	7.0
135.11649	2.0
137.09575	1.1
139.03838	1.0
141.06944	0.5
142.07732	1.1
142.97597	0.5
143.08554	5.8
145.06520	1.3
145.10107	12.2
147.06915	1.1
147.08035	16.1
147.09216	1.0
147.11656	1.8
149.09607	4.7
157.06407	1.3
157.10078	4.5
159.08018	2.0
159.11668	3.5
161.09593	5.6
161.13226	1.2
163.11205	3.3
169.10095	1.6
171.08163	0.7
171.11609	2.9
173.09508	0.8
173.13199	0.6
175.09644	0.5
175.11157	2.4
177.09087	0.6
185.09595	0.8
185.13188	2.6
187.11118	0.6
189.11209	5.4
189.12746	1.1
195.11630	1.0
199.11130	1.4
199.62556	0.6
203.14305	1.2
205.12161	0.8
213.12744	1.3
223.13234	3.6
227.17929	1.9
231.13762	1.5
237.16386	0.9
245.18925	1.4
249.14830	9.6
255.17419	3.8
273.15442	0.8
273.18445	28.2
291.19504	100.0
292.19815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	4.1
55.01665	0.8
55.01867	8.9
55.05257	1.4
55.05505	20.7
57.03421	1.6
57.07063	1.2
65.03929	1.5
67.05499	21.3
67.76785	0.9
69.03410	4.7
69.07054	8.0
69.44205	3.5
69.44637	4.3
71.04966	2.9
71.08603	1.0
77.03905	0.9
79.05485	42.1
81.03415	1.6
81.07048	51.4
83.04955	4.1
83.08603	9.8
85.06522	1.3
91.05466	26.9
93.06464	1.5
93.07030	25.2
95.04951	20.4
95.08597	16.1
97.06503	2.6
97.10158	11.0
98.20975	3.4
103.05440	1.3
104.06114	0.9
105.03381	3.0
105.04515	1.1
105.07017	20.0
107.04944	10.4
107.08585	17.3
108.07465	0.9
109.06509	11.1
109.10159	7.4
111.04444	1.3
111.08064	1.9
115.05424	2.0
116.06176	0.9
117.07002	19.7
119.04897	2.9
119.08568	36.2
121.06490	16.3
121.10118	10.1
123.04403	4.6
123.08041	4.5
125.09628	8.7
128.06232	1.8
129.06984	8.7
130.07677	1.3
131.08546	15.9
132.05736	1.2
133.06454	5.5
133.10100	7.1
135.08035	9.8
135.11667	3.5
137.09659	2.0
139.03894	7.7
142.07704	1.0
143.08542	9.1
145.06459	1.5
145.10092	18.2
147.04369	1.5
147.08031	22.8
147.11674	2.9
149.09602	8.4
149.13229	1.4
151.07529	1.2
153.09166	1.3
155.08522	1.4
157.10092	6.8
159.08022	3.5
159.11693	6.7
161.09612	8.1
161.13280	1.8
163.11137	5.2
165.05452	1.2
165.09088	2.0
169.10112	1.2
171.08141	1.0
171.11653	4.6
172.16519	0.9
173.09641	1.8
175.11186	2.8
177.09164	0.9
177.12811	1.1
185.09392	0.9
185.13228	4.8
187.11182	1.3
189.11183	5.6
189.12717	1.9
195.11674	0.9
199.11107	1.7
201.12909	0.9
203.14340	1.0
213.12729	2.3
213.16177	1.2
223.13283	6.0
227.17970	2.5
231.13814	2.3
232.14096	1.2
237.16341	1.4
245.18962	2.9
249.14853	12.2
255.17374	6.7
263.20224	0.9
273.18457	36.9
291.19525	100.0
292.19897	2.8
296.20377	0.9
302.35455	0.9
306.26212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.43575	0.7
53.03931	3.7
55.01862	10.4
55.05259	1.6
55.05504	20.8
55.24628	1.0
55.90905	0.7
56.07637	0.8
56.96283	1.1
56.96555	13.6
57.03214	0.9
57.03435	9.2
57.07064	4.6
59.04981	1.9
65.03922	3.6
67.05497	32.1
68.99783	5.8
69.03405	3.6
69.06714	1.3
69.07063	22.9
69.45862	5.4
69.46271	2.3
71.04994	6.1
71.08607	1.8
77.52726	0.8
79.05485	29.8
80.38521	0.9
81.03423	6.5
81.07050	57.6
83.04966	5.9
83.08614	12.9
84.04484	1.1
85.06539	6.1
85.10178	0.9
88.62791	0.9
91.05475	27.5
93.03401	3.0
93.07039	28.6
95.04961	12.4
95.08594	40.9
97.06483	3.7
97.10171	7.6
98.97591	2.5
99.04461	1.0
99.08031	2.1
101.61558	1.1
103.05508	1.3
105.07019	23.5
106.07333	1.0
107.04941	9.2
107.08582	27.6
109.02856	1.0
109.06506	30.6
109.10145	20.1
111.04408	4.5
111.08084	3.0
111.11687	3.2
115.05442	2.6
116.06228	1.5
116.98594	1.8
117.06998	11.5
119.04942	5.3
119.07775	1.4
119.08577	20.3
121.06520	7.6
121.10120	14.8
121.64446	0.9
123.04417	39.7
123.05311	2.1
123.08047	5.3
123.11697	14.4
125.09598	4.1
127.03904	1.6
128.06206	2.2
129.06999	6.4
130.07817	1.3
131.08557	16.2
133.06502	4.6
133.10124	9.7
134.99620	1.2
135.04433	1.4
135.08038	39.7
135.11665	12.4
137.09602	2.2
137.13252	4.9
139.03886	100.0
139.11206	1.2
140.04231	6.4
143.04913	1.6
143.08533	7.0
144.09256	1.0
145.06468	2.3
145.10103	16.0
146.42152	1.0
147.04369	13.3
147.08041	8.3
147.11690	7.8
148.08807	1.2
149.09596	9.4
149.13239	12.9
151.03931	4.7
151.07538	2.1
151.14771	2.5
153.12831	1.3
155.08542	1.6
157.06540	1.4
157.10118	8.4
159.08073	2.7
159.11661	7.3
161.05981	4.1
161.09596	9.5
161.13242	3.9
163.03891	2.7
163.11160	2.8
163.14819	6.0
165.05440	7.9
165.12772	2.0
167.10670	1.7
169.10072	1.6
171.10396	0.9
171.11638	4.7
173.09599	2.8
173.13266	1.6
175.07663	1.0
175.11205	2.4
175.14830	3.6
177.05563	1.2
177.16370	4.0
179.07007	2.4
183.11723	1.1
185.09526	1.1
185.13240	4.6
186.13538	1.7
187.11180	2.0
189.09117	1.1
189.11224	1.6
189.12794	2.2
189.16367	2.5
190.07280	1.0
191.10680	1.6
191.17979	1.9
192.02596	1.4
195.06686	2.0
195.11668	1.6
199.11201	1.2
199.14786	4.2
201.03123	2.2
201.12627	1.2
203.17928	2.1
204.07240	3.1
205.19583	1.3
207.06557	2.7
210.03627	2.9
211.02859	0.9
212.53973	1.0
213.12602	1.3
214.03821	1.3
215.58014	2.1
217.15871	11.0
217.19521	3.6
219.13889	1.1
227.17911	2.9
231.09102	1.9
231.13814	4.2
232.14159	5.4
233.15292	1.1
237.16391	2.0
245.19025	2.7
249.07675	1.7
249.14851	2.2
255.17392	5.6
261.07767	1.8
261.57898	1.1
263.19998	1.6
267.09271	1.3
269.10522	1.4
270.08270	15.2
270.58557	6.0
273.18478	29.3
273.25742	7.9
279.08841	16.2
279.58945	7.3
281.59137	3.6
290.59534	8.1
291.09012	4.4
291.19534	82.6
291.26660	24.0
292.19800	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03072	1.1
53.03920	2.8
53.78346	0.8
55.01625	1.2
55.01869	20.4
55.05501	14.1
57.03427	16.3
57.07045	1.4
65.03931	2.0
67.05497	31.6
67.13437	1.0
69.03413	2.3
69.07063	7.6
69.93682	5.2
71.04974	2.2
74.06072	1.5
79.05481	40.1
81.03398	1.7
81.07046	32.7
83.04969	2.6
83.08614	4.8
85.06549	4.9
88.07607	2.5
88.95403	1.0
91.05470	29.5
93.06465	1.5
93.07031	24.7
95.04957	33.4
95.08592	11.0
97.06516	2.6
97.10155	3.6
105.07007	16.2
107.04935	11.5
107.08581	28.1
109.06502	79.5
109.10135	4.6
115.05440	2.0
116.06222	1.9
117.06990	17.5
119.08566	15.4
121.06506	5.5
121.10113	6.9
123.04410	1.4
123.08031	5.0
125.09609	2.4
128.06143	1.6
129.06998	7.3
131.08536	19.4
133.06464	3.7
133.10091	7.1
135.08038	100.0
135.11646	6.7
137.09598	1.7
141.06911	1.0
142.07797	1.2
143.08545	9.0
145.06416	1.8
145.10103	11.3
147.08038	9.5
147.11662	2.9
149.09605	10.2
149.13310	1.5
155.08542	2.0
157.10089	7.2
159.08060	3.0
159.11662	6.8
161.09592	10.5
163.11166	2.9
169.10083	2.0
171.11676	4.6
173.13240	2.3
175.11143	2.7
177.12680	3.0
183.11656	2.2
185.09709	1.1
185.13235	3.5
187.11221	1.9
199.11105	1.7
199.14804	3.7
201.12738	3.2
217.15865	19.4
219.13713	1.3
227.17902	2.5
237.16446	1.8
243.24989	5.2
245.18843	2.4
249.14742	2.1
255.17343	4.9
273.18466	34.4
291.19510	94.6
291.26999	14.6
292.19788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03931	0.5
55.01875	2.0
55.05263	0.5
55.05508	7.9
55.05770	0.5
56.74139	0.3
57.09224	0.3
59.59872	0.2
67.05498	4.3
69.03416	1.1
69.07060	3.3
69.91512	1.8
71.04981	0.8
79.05486	6.8
81.03416	0.8
81.07047	6.2
83.04960	1.0
83.08620	3.6
83.72322	0.3
91.04957	0.5
91.05473	6.1
93.07038	4.7
94.04196	0.4
95.04971	2.8
95.08603	2.0
97.06515	0.5
97.10156	3.8
98.21582	0.3
103.05465	0.5
105.07025	4.9
107.04935	2.1
107.08582	2.6
108.05722	0.5
109.06475	0.9
109.10139	1.1
111.08070	0.3
115.05480	0.6
116.06224	0.5
117.07019	2.8
119.04938	1.7
119.08569	4.8
121.06493	2.6
121.10122	1.3
121.63026	0.3
123.08025	0.9
123.63398	0.3
125.09616	2.0
128.06230	0.6
129.06973	1.2
130.07787	0.5
131.08549	3.8
133.06470	2.8
133.10120	1.4
134.07227	0.8
135.08069	1.4
135.11650	0.6
143.08540	1.1
145.06496	0.4
145.10085	2.3
147.08041	3.9
147.11627	0.6
149.09593	1.0
157.10094	0.9
159.07962	0.5
159.11655	0.7
161.09612	1.1
161.13260	0.4
162.10370	1.4
163.11179	0.9
171.11719	0.5
175.11192	1.1
185.13310	0.4
189.11212	0.7
223.13309	1.0
249.14928	2.1
255.17513	0.5
273.18454	4.4
291.19510	100.0
292.19821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.6
55.01867	8.8
55.05506	17.4
57.03424	2.1
65.46217	1.1
66.91579	1.1
67.05500	18.4
69.03415	3.8
69.07050	5.6
71.04941	1.7
71.11712	2.4
71.62511	1.2
77.65933	1.0
79.05048	2.4
79.05487	36.8
81.03413	2.6
81.07051	43.6
83.04984	3.8
83.08607	7.7
84.44695	1.2
91.05476	21.0
93.07038	19.2
95.04960	13.9
95.08606	12.6
97.06527	2.4
97.10134	7.9
98.21051	2.2
103.05422	1.6
105.03338	2.8
105.07029	16.9
107.04950	8.7
107.08594	11.9
109.06503	4.1
109.10114	6.0
111.08037	1.4
115.05415	1.7
116.06181	1.5
117.07010	19.3
119.04948	3.4
119.08566	31.2
121.06491	16.7
121.10133	6.3
123.08064	4.7
123.11700	1.9
125.09633	8.8
127.07217	1.3
128.06178	2.5
129.06975	7.9
130.07753	1.5
131.08563	12.1
133.06493	4.4
133.10103	2.9
135.08035	9.1
137.09616	2.4
142.07735	2.1
143.08588	6.7
145.06538	1.6
145.10121	13.9
147.08034	17.8
147.11566	2.0
149.09612	4.1
153.09137	1.3
157.10136	7.9
159.08041	2.6
159.11707	5.5
161.09610	8.2
163.11185	4.6
165.09138	1.5
169.10088	1.9
171.11694	3.1
173.09477	1.5
175.11185	2.0
185.13222	3.2
187.11192	1.5
189.11139	6.3
189.12683	1.6
199.11084	1.5
213.12799	2.4
223.13281	4.8
227.17853	1.5
231.13902	3.1
232.14130	2.7
237.16385	1.6
245.19052	1.6
248.07066	1.2
249.14876	9.8
250.15022	1.3
255.17430	5.8
273.18469	33.8
276.10263	2.4
277.07159	1.5
291.19522	100.0
292.09735	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	291.195
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.47280	2.9
53.03931	4.5
55.01854	11.9
55.05506	22.8
56.77411	2.3
57.03432	73.7
64.24786	2.6
65.03913	3.9
67.05494	61.5
67.80750	2.4
69.03403	4.6
69.07060	16.3
69.49045	24.6
71.04979	5.7
79.05486	50.1
81.07053	51.4
83.04962	8.0
83.08611	15.2
85.06544	19.2
91.05472	71.7
93.07036	47.7
95.04965	16.8
95.08606	25.4
97.06510	8.0
97.10146	5.8
98.20733	3.7
98.21378	7.0
99.04436	2.7
103.05484	5.2
105.07024	44.2
107.04961	15.5
107.08585	32.7
109.06513	33.0
109.10146	16.5
111.08093	4.9
113.06002	2.7
115.05465	4.7
117.07009	49.1
119.04911	2.5
119.08566	37.7
121.06489	11.7
121.10144	16.0
123.04401	11.1
123.08035	7.5
125.09583	5.9
128.06198	4.3
129.06998	20.2
130.07788	2.7
131.08553	40.5
133.06462	9.5
133.10123	20.2
135.08058	29.1
135.11682	6.1
137.09619	3.7
139.03923	16.1
141.06970	4.3
142.07771	4.6
143.08554	20.0
145.06435	3.5
145.10115	47.0
147.08032	35.5
147.11688	8.1
149.09587	10.6
151.11116	3.0
155.08476	4.1
157.09007	3.3
157.10133	23.7
159.08102	3.3
159.11681	17.3
161.09595	19.2
163.11124	5.8
169.10094	5.0
171.11658	10.2
173.09599	4.3
173.13243	7.2
175.11140	10.3
179.10558	3.1
181.10092	3.6
183.11644	6.5
185.13261	3.6
189.12753	6.1
199.11118	5.0
199.14771	12.8
201.12659	8.8
213.16353	3.4
217.15869	46.5
218.16418	3.4
219.13811	6.6
233.15346	5.7
237.16373	7.2
245.18993	5.1
255.17436	15.0
263.20004	3.6
273.18442	100.0
289.83600	2.9
291.19501	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03932	3.2
55.01866	10.4
55.05258	1.9
55.05502	22.3
57.03423	1.6
57.07076	1.8
65.03919	2.4
67.05160	2.0
67.05496	25.5
69.03414	6.3
69.07059	11.0
69.28715	9.5
69.29122	3.5
71.04993	2.7
79.05484	50.6
81.03413	1.7
81.07046	58.3
83.04950	4.3
83.08609	10.2
85.06536	2.6
86.91528	1.2
88.28571	1.1
91.05466	29.8
93.07028	35.3
95.04957	20.6
95.08590	19.5
97.06509	4.4
97.10159	15.2
99.95161	1.1
103.05421	2.1
105.03352	2.7
105.07014	21.3
107.04948	11.4
107.08581	21.4
109.06506	16.5
109.10133	8.0
111.04443	1.7
111.08067	2.2
115.05434	3.4
117.07005	25.0
119.04908	5.7
119.08564	41.7
121.06497	19.3
121.10134	13.5
123.04405	3.3
123.08023	7.2
125.09606	10.7
125.58296	1.2
128.06219	1.6
129.06984	8.9
131.04881	1.5
131.08549	13.6
133.06468	6.2
133.10080	8.7
135.08044	10.5
135.11664	10.9
137.09593	3.2
138.71367	1.1
139.03880	4.4
141.07018	1.0
143.08549	8.0
145.06497	1.4
145.10098	20.5
147.04379	2.1
147.08026	23.4
147.11656	4.5
149.09599	8.0
149.13239	4.9
151.07619	1.2
155.08473	1.3
157.10104	8.4
159.08006	2.8
159.11697	7.5
161.09602	8.1
161.13208	2.8
163.11169	6.2
165.05453	1.4
165.12729	7.8
171.11708	4.5
173.09735	1.7
173.13237	1.6
175.11162	2.9
175.14714	2.2
181.09962	1.2
185.13251	5.0
186.13585	2.0
187.11240	1.4
189.11180	6.8
189.12698	2.7
191.50694	1.2
195.11719	1.4
199.11278	1.3
203.14384	1.6
213.12672	2.2
223.13205	5.0
227.17908	2.2
231.13799	3.3
232.14107	2.1
235.16917	2.6
237.16304	1.2
245.18999	3.5
249.14838	11.8
249.18520	1.6
255.17444	5.7
273.18463	34.8
285.76447	1.4
291.19504	100.0
291.23096	30.0
292.19904	2.8
295.05176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.00317	0.6
53.03939	2.9
54.65490	0.6
55.01857	1.4
55.05255	1.1
55.05503	15.5
56.22251	0.5
57.07065	1.5
59.04982	0.8
62.23003	0.5
65.03932	1.9
67.05496	37.9
69.03405	1.1
69.07061	17.2
69.30254	6.0
69.30676	2.0
70.47288	0.5
71.04985	1.1
73.06554	1.6
73.10362	0.6
77.03889	1.2
79.05482	71.1
81.03411	1.2
81.07044	46.8
83.04969	2.3
83.08609	9.0
85.06528	2.8
86.27547	0.6
91.05468	25.9
93.07031	100.0
94.07363	1.1
95.04962	9.2
95.08593	31.7
96.77659	0.7
97.06512	2.5
97.10164	4.3
98.57096	0.6
99.08057	1.1
104.69448	0.6
105.04482	1.7
105.07018	18.1
107.04952	1.6
107.08580	54.5
109.06496	3.5
109.09443	1.3
109.10143	14.4
109.10895	1.0
111.08076	1.2
117.06979	5.1
117.07684	0.7
119.08564	15.3
121.06497	1.6
121.10130	44.3
123.04399	2.5
123.08056	3.3
123.11668	2.9
125.09610	2.5
129.07005	3.0
131.08568	6.4
133.06529	0.8
133.10117	15.0
135.08058	2.7
135.11674	50.5
136.11903	0.8
136.84479	0.7
137.09587	2.4
137.13184	0.7
139.03920	3.0
139.11116	0.7
141.09042	0.9
143.08530	3.5
145.10097	6.7
147.08044	2.0
147.11664	9.7
149.09647	3.4
149.13239	30.1
151.11192	1.0
157.10109	3.0
159.11658	5.3
161.09535	1.9
161.13237	9.6
163.11139	4.0
163.14790	10.2
163.16077	1.0
165.12723	0.8
171.11649	4.3
173.13208	2.9
175.11140	1.0
175.14790	6.2
177.12704	2.8
177.16377	1.5
179.06953	0.6
181.12262	0.8
185.13257	4.5
189.12666	1.7
195.13834	0.8
199.14830	2.7
203.14275	2.4
207.06689	0.6
207.13675	0.7
209.15315	2.5
213.16328	2.2
217.15785	1.2
217.19466	2.6
221.15359	1.4
223.13145	0.7
231.17554	1.6
231.20879	1.0
232.13972	0.7
235.16862	2.0
241.19510	4.8
245.83029	0.6
249.14682	0.8
249.18491	2.1
259.20520	9.3
273.18491	2.5
291.19559	7.2
291.23111	64.4
292.23489	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.09373	1.1
53.03934	2.1
55.01858	4.2
55.05251	1.8
55.05505	23.5
56.96557	3.2
57.03436	5.2
57.06859	0.9
57.07067	10.4
59.05013	2.1
65.03927	2.6
67.05499	34.3
68.99762	1.4
69.03414	3.6
69.07061	49.3
70.55206	2.6
71.04977	3.7
71.08602	4.0
77.03891	1.4
79.05488	19.7
81.03407	3.0
81.07049	100.0
82.07336	1.6
83.04948	3.8
83.08611	20.2
85.06521	7.0
85.10186	1.2
86.28544	1.1
86.97361	1.1
91.05467	13.5
93.07035	34.5
94.56528	1.0
95.04967	8.6
95.08596	87.4
96.08915	2.0
97.06513	6.7
97.10159	11.4
98.97578	2.2
99.08045	3.0
105.07020	20.2
107.04935	3.6
107.08577	32.6
108.08881	1.3
108.96128	1.0
109.06512	14.7
109.10144	52.9
110.10455	1.5
111.04426	1.8
111.08070	6.6
111.11723	8.0
113.05997	2.0
113.09658	1.6
115.05431	1.7
117.07013	5.3
119.04923	2.7
119.08577	16.0
120.08966	1.7
121.06476	3.2
121.10133	23.1
122.10444	1.2
122.38546	1.0
123.03555	1.5
123.04425	26.0
123.08044	3.8
123.11699	53.2
125.09612	2.9
125.13229	2.8
127.11201	1.3
129.06989	2.9
131.08545	7.0
133.06479	2.1
133.10129	9.3
135.08023	13.5
135.11674	20.0
137.09607	1.6
137.13240	20.5
139.03886	52.7
139.11221	5.1
140.04175	1.7
141.12743	1.7
143.08536	3.9
145.10114	7.6
147.04422	8.2
147.08035	3.2
147.11690	12.1
149.09558	3.1
149.13246	24.7
151.07516	1.3
151.14781	4.5
153.12750	6.3
157.10133	4.2
159.07974	1.3
159.11705	3.7
161.05933	3.5
161.09634	2.7
161.13199	6.5
163.03897	1.4
163.11156	1.7
163.14816	18.7
165.05452	8.0
165.12636	1.4
165.16458	1.6
167.14255	2.1
173.09650	1.5
173.13318	1.4
175.11061	1.8
175.14806	4.9
177.12721	1.3
177.16356	10.6
179.07016	1.4
179.14307	1.2
179.17923	4.3
185.13391	2.5
186.13545	1.6
189.16315	4.9
191.17941	6.3
199.11304	1.4
199.14693	1.2
201.12775	1.5
203.17996	5.4
205.19470	1.5
207.06642	1.6
217.15880	4.1
217.19453	7.5
231.13811	2.3
232.14069	3.2
235.20631	2.1
237.16310	2.1
255.17412	1.6
270.08243	1.8
270.58249	1.2
273.18463	13.7
273.25705	19.0
279.08881	2.3
291.08679	3.6
291.19611	27.1
291.26776	49.3
292.19702	3.3
292.27164	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
73.18658	2.9
96.66870	3.4
103.28320	2.8
156.00034	3.1
161.02953	9.0
161.21410	3.2
166.41524	3.2
197.29053	3.2
202.68459	3.5
203.82060	3.1
293.06302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1229
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03942	2.3
55.01856	3.7
55.05504	3.8
55.64130	1.5
56.96557	5.5
57.03433	5.2
57.07067	11.9
59.05000	2.7
60.88955	1.6
61.02916	7.3
67.05503	24.2
69.03419	16.5
69.07057	7.3
70.06572	5.1
70.38892	1.6
70.78645	6.3
71.04980	6.2
73.02914	4.1
73.13598	2.0
79.05495	2.0
81.03403	5.5
81.07054	15.1
81.17335	2.0
83.04948	2.0
84.04468	1.6
85.02898	73.6
85.06540	6.7
91.03951	5.5
91.05452	8.8
93.07037	3.7
95.04958	26.1
95.08598	9.4
97.02882	16.5
98.97583	2.5
99.04441	3.7
100.16621	1.7
105.07022	4.1
107.08571	2.8
109.02870	4.7
109.10157	7.2
113.05999	40.9
113.31254	1.9
116.98615	2.8
119.01933	2.2
119.04945	5.1
119.08553	3.4
121.10133	3.0
123.04421	6.4
123.11732	4.6
124.04735	2.8
127.03907	16.2
131.07031	100.0
131.08562	4.1
133.10071	2.4
134.99658	4.8
139.03889	5.4
140.04196	3.1
141.04356	4.3
145.04941	15.3
145.10104	4.2
147.04399	23.6
149.02371	2.0
149.08098	2.2
157.65608	1.7
159.11691	2.2
161.02946	3.6
163.03903	3.4
163.06123	2.0
170.60344	2.1
173.13144	1.9
175.11232	1.9
177.05453	2.4
215.14401	2.8
219.05013	2.4
219.48567	1.8
233.15413	2.7
237.02878	2.3
257.19159	2.5
275.20026	8.6
293.21170	6.1
293.24609	2.4
314.58432	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
57.03438	4.2
65.03944	0.5
67.01846	0.5
67.05491	2.0
69.03423	8.1
69.07030	0.8
71.01346	1.1
71.04987	10.6
71.61532	0.8
73.02895	1.6
75.04467	2.4
79.05484	1.1
81.03402	1.0
81.07042	2.0
83.04967	7.7
85.02895	28.6
87.04432	0.8
91.05464	1.6
93.07021	1.3
93.25599	0.5
95.04958	2.6
95.08577	1.1
97.02878	1.2
97.06534	1.3
99.04429	2.0
101.05977	0.6
103.05456	0.7
105.07020	1.3
107.04958	0.6
107.08567	1.3
108.05708	0.9
109.02866	1.7
109.06540	0.7
109.10120	0.9
111.04432	14.9
113.05970	1.2
117.05516	0.7
117.06995	0.7
119.08542	0.6
121.06483	0.6
123.04407	0.6
123.08075	0.7
123.11653	0.5
127.03912	1.0
129.05470	6.9
131.04907	0.9
131.08571	1.3
133.06464	0.7
133.10066	0.6
135.08040	1.1
136.05173	2.1
137.05908	1.3
139.03914	0.6
145.06487	0.9
145.10156	0.6
147.06473	3.6
147.07985	0.5
149.05901	0.8
151.07523	100.0
152.07858	2.6
153.05458	4.7
155.08554	0.7
157.04950	1.1
159.06606	0.6
159.08066	1.2
163.07536	1.2
171.06544	2.3
171.08022	1.2
175.07524	1.4
177.09081	2.7
181.06287	0.5
183.06563	0.7
187.07529	1.4
189.09045	1.4
191.07021	2.9
195.10124	1.7
197.09578	0.7
201.07516	1.4
201.09178	0.9
203.10530	0.9
213.07486	0.8
217.08580	0.9
219.10226	0.8
229.12216	0.8
235.09613	1.2
239.09039	3.7
257.10037	0.9
275.10825	0.9
275.12982	1.7
275.20010	1.0
293.04590	0.7
293.13882	1.4
293.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.138
Annotation	Morinin C
Peak:m/z	Relative Intensity
55.05503	2.5
57.03438	4.2
65.03944	0.5
67.01846	0.5
67.05491	2.0
69.03423	8.1
69.07030	0.8
71.01346	1.1
71.04987	10.6
71.61532	0.8
73.02895	1.6
75.04467	2.4
79.05484	1.1
81.03402	1.0
81.07042	2.0
83.04967	7.7
85.02895	28.6
87.04432	0.8
91.05464	1.6
93.07021	1.3
93.25599	0.5
95.04958	2.6
95.08577	1.1
97.02878	1.2
97.06534	1.3
99.04429	2.0
101.05977	0.6
103.05456	0.7
105.07020	1.3
107.04958	0.6
107.08567	1.3
108.05708	0.9
109.02866	1.7
109.06540	0.7
109.10120	0.9
111.04432	14.9
113.05970	1.2
117.05516	0.7
117.06995	0.7
119.08542	0.6
121.06483	0.6
123.04407	0.6
123.08075	0.7
123.11653	0.5
127.03912	1.0
129.05470	6.9
131.04907	0.9
131.08571	1.3
133.06464	0.7
133.10066	0.6
135.08040	1.1
136.05173	2.1
137.05908	1.3
139.03914	0.6
145.06487	0.9
145.10156	0.6
147.06473	3.6
147.07985	0.5
149.05901	0.8
151.07523	100.0
152.07858	2.6
153.05458	4.7
155.08554	0.7
157.04950	1.1
159.06606	0.6
159.08066	1.2
163.07536	1.2
171.06544	2.3
171.08022	1.2
175.07524	1.4
177.09081	2.7
181.06287	0.5
183.06563	0.7
187.07529	1.4
189.09045	1.4
191.07021	2.9
195.10124	1.7
197.09578	0.7
201.07516	1.4
201.09178	0.9
203.10530	0.9
213.07486	0.8
217.08580	0.9
219.10226	0.8
229.12216	0.8
235.09613	1.2
239.09039	3.7
257.10037	0.9
275.10825	0.9
275.12982	1.7
275.20010	1.0
293.04590	0.7
293.13882	1.4
293.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03921	4.7
55.01863	9.5
55.05504	37.0
57.03408	4.4
63.03858	1.3
65.03923	2.5
67.05497	43.7
69.03412	3.6
69.07059	19.7
70.67657	2.0
70.67993	2.8
71.04979	3.6
73.10374	1.4
78.98828	1.3
79.05486	46.6
80.95752	1.3
81.03394	5.7
81.07049	63.4
83.04967	6.4
83.08134	1.9
83.08604	20.4
85.06535	4.0
90.45021	1.2
91.05472	35.6
93.06467	1.8
93.07030	30.8
95.04957	44.9
95.08595	28.8
97.06515	9.4
97.10157	15.4
99.08041	1.5
105.07022	36.3
107.04947	10.2
107.08586	56.5
109.06519	16.5
109.10140	17.6
111.08077	8.4
117.06998	8.7
119.08566	30.3
121.06471	4.4
121.10126	17.7
123.08070	8.5
123.11644	4.6
125.09612	14.7
125.13123	1.3
129.06989	2.9
131.08548	14.8
133.10118	27.3
135.08017	6.2
135.11684	9.7
137.05963	7.6
137.09584	9.0
139.11128	3.7
141.06941	1.6
143.08542	2.6
145.10106	16.2
147.08015	3.2
147.11665	14.7
149.09619	18.4
149.13232	2.3
151.11110	4.1
153.09088	1.9
155.08499	1.7
157.10080	2.9
159.08073	1.4
159.11682	8.6
160.37851	1.4
161.09557	2.0
161.13202	3.2
163.11176	11.2
165.09093	2.0
165.12703	2.5
169.10074	2.7
171.10201	1.8
171.11642	2.6
173.13239	3.9
177.12724	1.7
181.12155	1.7
183.11641	2.4
187.11125	1.7
187.14862	1.5
189.11246	11.0
191.14365	1.4
193.12201	1.9
202.12294	1.4
203.12679	1.6
205.12181	1.9
223.13312	10.4
229.19617	3.2
235.16904	1.6
238.61288	1.3
239.17940	4.8
247.20494	4.3
257.18936	13.4
268.19107	1.5
275.20035	100.0
276.20306	2.2
293.21054	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	5.0
55.01856	8.0
55.05262	2.4
55.05504	27.7
67.05495	42.2
69.07060	16.7
69.41308	17.9
69.41719	4.1
71.04977	3.5
79.05485	35.2
81.03407	9.6
81.07047	48.0
83.04974	5.9
83.08607	20.0
85.06534	2.9
91.05471	31.9
93.07030	31.3
95.04959	33.0
95.08588	25.6
97.06533	5.0
97.10152	8.1
98.21118	9.1
105.07015	35.1
107.04954	12.2
107.08591	29.7
109.06525	9.2
109.10155	15.2
111.08083	5.2
114.66331	2.1
115.05447	2.0
117.06970	8.9
119.08573	24.3
121.06492	2.5
121.10116	14.3
123.08050	6.3
123.11660	2.6
125.09630	10.2
131.08569	12.3
132.16370	1.9
133.10114	24.0
135.08075	6.3
135.11681	7.4
137.09583	5.2
143.08461	2.1
145.10101	13.4
147.08008	2.9
147.11673	19.5
149.09605	30.5
150.62605	1.9
151.11099	4.0
155.08546	4.0
157.10144	3.5
159.08049	2.8
159.11685	10.2
161.09563	2.2
161.13266	3.8
163.11160	13.7
165.12692	3.2
169.10143	2.9
171.11633	3.4
173.09659	2.8
173.11882	2.1
173.13240	7.2
177.12756	4.1
182.91716	2.1
183.11761	3.7
187.11166	3.2
189.11220	5.2
199.67633	2.1
205.12216	2.3
223.13239	14.3
229.19467	5.1
237.11200	2.5
239.17987	8.8
247.20551	5.7
257.18906	15.0
275.20035	100.0
276.20200	4.0
293.21069	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.04281	1.1
55.01854	4.4
55.05502	17.8
56.96541	4.6
57.03431	7.4
57.07055	1.3
65.03922	1.5
67.05175	1.3
67.05501	15.8
69.06785	1.1
69.07061	13.9
70.85839	3.4
72.80154	1.1
73.24596	1.1
79.05056	2.3
79.05483	31.6
81.07047	26.5
83.04954	2.7
83.08610	10.5
85.06505	4.1
91.05469	26.3
93.06468	2.2
93.07035	31.7
95.04976	8.7
95.08603	17.0
96.08852	1.2
97.06499	5.3
97.10152	9.7
105.07017	33.2
107.04916	1.4
107.08585	70.5
109.06502	7.9
109.10135	6.7
111.08080	2.9
117.06983	5.1
119.08571	21.7
121.06491	2.8
121.10118	9.2
123.08047	4.2
125.09592	5.2
129.06975	4.4
130.98468	1.3
131.08554	9.7
133.10118	18.0
135.08076	2.6
135.11656	4.6
137.09602	1.4
143.08539	3.4
145.10132	13.7
147.11674	13.8
149.01204	5.0
149.09633	8.9
151.07542	4.4
151.11172	2.7
152.07861	5.7
153.08060	3.0
156.03496	1.8
157.10075	4.0
159.11655	11.3
161.09587	1.3
161.13240	5.6
163.11154	4.9
166.05542	1.3
167.02258	2.5
169.10123	2.1
171.11612	2.2
173.13235	3.9
175.11221	1.6
175.14861	2.3
177.12740	2.0
183.11673	2.7
184.51053	1.1
185.13271	11.8
189.11212	6.8
197.13248	2.4
201.16357	2.5
203.14323	11.7
207.13722	1.7
208.14201	2.9
209.14400	3.4
219.17424	10.2
221.15369	14.8
229.19434	1.8
235.15884	1.6
237.08618	1.3
239.17870	5.9
244.09563	4.0
244.59879	1.5
252.09285	3.0
257.18961	14.5
267.84131	1.3
275.20035	100.0
276.20404	3.9
293.13309	7.5
293.20483	13.9
293.28229	1.4
293.63269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.53689	1.1
53.03933	3.5
53.15400	1.2
55.01612	1.5
55.01869	16.7
55.05498	16.3
56.96552	1.2
57.03433	2.2
57.07074	2.2
59.04977	1.5
65.03964	1.3
67.05495	24.0
69.03413	2.0
69.07060	15.4
69.53731	2.4
69.54137	8.5
71.05019	1.4
72.18881	1.1
73.75409	1.3
79.05485	35.2
81.03405	5.5
81.07047	31.0
83.04963	4.3
83.08609	9.6
91.05467	21.1
93.07037	22.0
95.04967	7.7
95.08598	15.6
97.06526	20.5
97.10178	10.1
98.21475	1.7
105.07018	25.9
105.07673	2.4
107.04946	6.7
107.08582	51.3
109.06504	8.4
109.10137	7.8
111.08054	3.3
113.09612	1.3
117.06967	5.7
119.08571	17.5
121.06505	3.3
121.10126	10.6
123.08039	5.6
123.11681	3.5
125.09608	9.3
129.06993	2.8
131.08572	10.6
133.06432	2.2
133.10103	17.2
135.08049	3.4
135.11690	5.1
137.09599	3.3
141.07004	1.5
141.63737	1.2
143.08510	2.6
145.10109	12.2
147.11659	12.7
149.09615	14.5
149.13225	1.7
151.11205	4.1
153.09082	1.7
157.10077	2.7
159.11668	7.5
161.13280	4.2
163.11185	6.5
165.09079	3.9
165.12637	1.6
169.10068	2.1
171.11618	2.3
173.13261	3.8
175.11145	2.2
175.14862	2.0
177.12738	2.5
179.14342	1.6
189.11174	8.5
189.12639	1.6
197.13304	2.4
219.21243	1.2
229.19600	3.2
239.17995	4.2
247.20592	6.1
257.18979	12.6
275.20032	100.0
276.20355	2.8
293.21103	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	3.4
55.01859	13.9
55.05508	24.1
57.03438	4.6
57.07065	2.1
65.00552	1.4
65.05682	1.6
67.05499	24.0
69.03394	1.7
69.07056	15.2
70.42396	3.8
70.42791	4.6
71.04971	2.3
77.03896	1.5
79.05483	44.0
81.03401	3.7
81.07049	34.4
83.04968	7.0
83.08604	13.9
85.06538	2.6
91.05469	28.0
93.07040	29.5
95.01357	1.6
95.04948	11.9
95.08598	20.5
97.06516	15.0
97.10174	15.8
102.09361	1.9
105.03384	2.5
105.07017	37.5
107.04947	6.0
107.08580	82.9
109.06499	9.2
109.10164	8.6
111.08085	3.9
112.84577	1.9
117.07016	6.6
119.08565	24.3
121.06512	3.2
121.10131	11.6
123.08064	2.8
123.11689	3.8
125.09599	12.3
126.04301	1.9
128.06326	2.7
129.06975	2.4
131.08553	12.2
133.10089	22.4
133.51389	1.6
135.08029	3.3
135.11644	3.8
137.09573	2.2
143.08527	2.6
145.10094	14.0
147.08046	1.7
147.11678	13.6
149.09589	15.6
151.11185	3.4
157.10114	4.1
159.11726	9.0
161.13225	4.0
163.11194	7.1
163.77174	1.5
165.09091	1.8
165.16510	2.4
169.10071	2.3
169.69518	1.6
171.11668	4.6
173.13292	4.2
177.09021	3.2
177.12766	2.2
181.12231	2.3
183.11763	2.5
185.13245	4.4
187.14734	2.0
189.11169	13.9
197.13217	2.9
201.16437	2.3
203.14282	5.2
219.17462	7.1
221.15367	5.0
223.13335	2.3
229.19545	2.1
233.15570	1.7
237.11327	1.9
239.17946	5.9
247.20592	3.4
257.19025	12.7
275.20032	100.0
276.20468	4.1
293.17673	3.8
293.20929	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.7
55.01863	11.6
55.05504	19.2
57.03429	12.4
62.53209	1.8
67.05499	27.1
69.07056	23.0
69.82990	1.4
70.02714	9.0
71.04997	3.8
71.47015	1.8
79.05484	35.5
81.03426	4.1
81.07043	34.0
83.04981	4.4
83.08610	13.2
85.06539	6.9
91.05473	33.6
93.07033	45.6
95.04956	13.9
95.08591	23.5
97.06504	17.6
97.10156	9.2
98.20756	2.7
105.06342	1.2
105.07017	36.3
105.07678	3.1
107.04958	5.3
107.08579	48.2
107.09280	2.8
109.06508	6.3
109.10161	6.5
111.08068	2.5
117.06989	11.0
119.08566	25.5
121.06510	3.0
121.10123	14.1
123.08087	4.4
123.11693	3.8
125.09618	5.8
128.06224	2.2
129.06985	5.1
131.08571	14.2
133.10121	19.6
135.08046	4.7
135.11691	6.3
137.09622	2.9
139.11156	1.9
143.08548	6.7
145.10078	14.9
147.11667	20.1
149.09616	15.1
149.13274	2.7
151.11224	3.3
157.10127	3.3
159.11658	16.6
161.13225	9.2
163.11197	3.8
165.09088	2.2
169.10092	3.9
171.26978	1.6
173.13348	3.0
175.11172	4.6
175.14880	3.7
177.05420	2.3
177.12730	1.8
183.11670	2.2
185.13239	17.5
187.11180	2.9
189.11192	5.1
197.13290	2.8
201.16348	3.4
203.14307	11.7
219.17442	22.0
221.15338	19.8
233.11803	1.8
237.14847	4.2
239.17940	5.6
247.20474	2.7
257.18939	16.5
275.20032	100.0
276.20389	4.6
293.21075	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	3.5
54.90644	1.3
55.01640	1.6
55.01867	12.7
55.05506	51.7
57.03429	2.7
63.68665	1.5
65.03902	1.9
67.05495	29.0
69.03413	3.3
69.06780	1.3
69.07065	15.3
70.17715	6.6
71.04979	2.8
79.05486	42.1
79.05949	2.5
81.03403	7.7
81.07044	27.8
83.04977	8.5
83.08608	29.4
83.20831	1.3
85.02895	4.0
85.06532	2.2
91.05479	19.2
93.07030	28.9
95.04956	100.0
95.08599	15.4
97.06513	6.1
97.10162	24.7
105.07019	21.9
107.04949	10.9
107.08576	36.7
109.06494	9.4
109.10146	11.6
111.08057	4.4
117.06989	7.9
119.08556	15.8
121.06491	5.9
121.10112	15.1
123.08035	6.3
123.11671	2.9
125.09612	24.7
129.07001	2.4
131.08546	13.1
133.10132	11.0
135.08031	8.2
135.11620	7.0
137.09576	2.7
141.06979	1.4
143.08554	1.8
145.10100	16.1
147.08023	4.4
147.11691	8.7
149.09602	50.4
151.11099	1.6
153.09135	3.1
157.10141	2.5
159.08092	1.4
159.11743	9.0
161.09526	1.9
161.13185	2.7
163.11157	30.3
164.11560	1.5
165.12759	1.7
169.10130	2.3
173.13303	2.7
173.25676	1.3
177.12746	4.2
181.12346	1.4
187.11168	4.6
189.11186	23.3
193.12241	1.7
197.13286	1.6
205.12206	6.8
222.13812	1.5
223.13286	61.7
224.13364	1.8
228.64981	1.4
229.19527	3.5
237.11156	2.3
239.17883	4.7
247.20612	3.5
257.18973	9.5
272.61523	1.5
275.20047	86.0
276.20459	2.1
293.21066	69.6
294.21463	2.9
300.38626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.7
55.01863	19.9
55.05265	1.7
55.05507	30.2
57.03399	2.6
65.03930	1.8
67.05499	29.8
69.03413	2.1
69.07057	16.9
70.88184	5.2
71.04985	2.2
77.09098	1.5
79.05054	2.6
79.05488	38.8
81.03397	7.3
81.07047	26.5
83.04958	5.1
83.08610	15.0
91.05457	23.1
93.07037	25.6
95.04967	10.4
95.08593	20.2
97.06521	30.0
97.10144	14.7
105.07018	32.7
107.04942	7.4
107.08585	79.5
109.06506	7.6
109.10141	9.9
111.08077	1.9
117.07005	7.9
119.08569	18.9
121.06503	2.7
121.10159	9.2
123.08092	2.8
125.09628	15.6
129.06915	2.1
131.08563	11.2
133.10098	18.9
135.08052	3.8
135.11667	7.8
137.05968	14.1
137.09601	2.1
145.10091	14.8
146.55475	1.7
147.11659	12.3
149.09618	14.0
149.13225	3.5
151.11145	3.2
159.11639	8.2
161.13243	4.4
163.11147	6.6
165.09151	3.2
171.11671	2.4
173.13245	5.8
176.67030	1.7
177.12769	2.5
181.12175	1.9
187.11174	2.6
189.11209	16.6
201.78133	1.8
202.26215	1.9
213.16461	1.9
229.19487	3.5
239.17953	3.5
247.20567	5.3
257.19000	12.6
275.20026	100.0
276.20416	4.6
293.21103	18.5
295.79184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	3.4
55.01871	14.3
55.05505	23.1
57.03445	3.3
57.07064	4.1
58.79039	1.7
65.03909	2.6
67.05495	58.5
69.03412	3.3
69.07065	27.7
70.06084	4.9
70.06499	2.6
71.04967	5.1
78.24024	1.4
79.05055	3.1
79.05483	43.5
81.03387	6.4
81.07047	98.5
83.04993	7.7
83.08602	11.6
85.06530	3.7
91.05470	44.1
93.07034	36.0
95.04967	19.1
95.08590	36.5
97.06521	11.2
97.10156	4.6
99.08102	1.6
103.05515	2.1
105.07020	43.0
107.04925	6.9
107.08578	31.5
109.06511	26.9
109.09451	1.9
109.10143	28.4
111.08040	4.6
115.07561	3.8
117.07007	10.7
119.08566	46.6
121.06482	4.5
121.10122	16.1
123.08047	10.6
123.11690	7.2
125.09613	5.3
129.06984	3.8
130.07780	2.3
131.08549	14.6
133.10114	40.6
134.45209	1.5
135.08040	10.7
135.11650	7.4
137.09593	11.3
141.06952	2.2
143.08511	2.7
145.10118	15.0
147.08047	2.7
147.11661	18.3
149.09599	14.6
149.13171	2.6
151.11156	15.1
157.10088	4.3
159.11716	11.7
161.09608	3.3
161.13234	4.9
163.11198	8.9
165.09093	2.7
165.12708	4.2
169.10056	2.4
169.12195	1.8
171.11682	3.6
173.13216	6.6
175.11121	4.2
175.14705	1.8
177.12675	3.3
179.10535	1.8
183.11638	3.1
185.13254	1.8
187.11096	2.0
189.11150	2.7
193.12376	1.6
197.07251	5.6
205.15825	1.8
213.16267	2.0
223.13188	2.3
229.19504	3.8
239.17937	3.8
247.20572	7.8
257.18985	11.4
267.63040	1.5
275.20032	100.0
276.20282	4.1
293.21048	47.1
294.09976	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03923	5.4
53.33545	2.3
55.01854	8.9
55.05506	14.7
63.21426	2.4
65.03917	2.5
67.05495	33.5
69.07067	18.9
69.56770	18.4
71.04981	4.0
72.93857	2.1
79.05484	34.3
81.03401	7.2
81.07048	100.0
83.04959	5.1
83.08614	15.2
85.06503	2.9
91.05466	24.4
93.07040	23.6
95.04959	13.2
95.08595	24.3
97.06510	5.9
97.10172	7.2
98.21461	4.2
99.08086	4.2
103.13968	2.1
105.07035	28.5
107.04945	8.6
107.08578	17.7
109.06508	46.0
109.10138	7.3
111.08041	5.5
117.07002	8.4
119.08559	19.1
121.06450	7.0
121.10120	11.9
123.08054	7.8
123.11704	3.5
125.09631	7.5
131.08560	15.9
133.10152	18.4
135.08014	5.4
135.11668	7.1
137.09596	5.8
143.08505	3.2
145.10095	9.7
147.11661	18.5
149.09616	8.0
149.13235	7.0
151.11176	3.8
157.10075	3.3
159.11684	7.4
161.09518	3.7
161.13248	5.2
163.11153	9.4
163.14848	3.6
165.12791	5.1
183.11566	2.5
187.14677	2.6
189.11124	3.5
193.12167	3.5
207.13855	2.5
229.19470	2.6
239.17940	5.5
247.20470	5.7
257.18875	7.0
275.20026	74.5
276.20355	4.3
293.21057	59.1
294.21259	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03930	4.8
55.01858	6.9
55.05503	20.8
57.03418	2.7
57.07056	1.4
67.05495	35.3
69.03377	1.9
69.07056	13.2
70.34319	6.0
71.04989	3.2
79.05046	2.3
79.05478	27.4
81.03397	5.9
81.07044	34.5
83.04971	7.3
83.08611	20.6
85.06538	2.6
85.50473	1.3
85.86615	1.4
90.86266	1.3
91.05464	22.6
93.07033	27.7
95.04950	19.7
95.08599	24.2
97.02868	3.0
97.06503	8.1
97.10143	5.6
98.21201	2.8
99.04446	1.4
105.07018	22.2
107.04929	6.7
107.08578	21.3
109.06509	9.6
109.10147	18.6
111.08052	5.2
117.07000	9.1
119.08562	19.6
121.06470	5.5
121.10146	13.1
123.08020	7.1
123.11684	4.9
125.09597	7.0
127.07512	1.8
127.96966	1.3
129.06998	2.3
131.08525	10.3
133.10109	22.3
135.08052	5.9
135.11671	9.1
137.09575	5.8
141.06978	1.9
143.08516	3.0
145.10110	13.9
147.08069	1.3
147.11679	9.9
149.09602	17.8
149.13243	2.7
150.04401	1.2
151.11137	9.4
151.76718	1.2
155.08528	2.3
157.10138	1.7
159.11684	8.3
161.09561	2.8
161.13214	6.1
163.11159	17.4
165.12715	5.5
169.10025	3.4
171.11646	3.1
173.09595	4.6
173.13246	6.2
175.11143	3.1
177.12718	3.6
183.11626	2.7
187.11137	2.4
189.11209	1.6
189.12653	1.7
191.14194	2.0
197.13161	2.0
205.12256	1.8
207.13809	2.1
208.81546	1.6
223.13184	3.1
229.15709	1.5
229.19453	5.2
239.17966	11.2
247.20596	3.8
257.18973	19.2
275.20032	100.0
276.20349	3.9
293.21039	46.1
294.21381	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03935	1.0
55.01860	3.5
55.05289	1.0
55.05503	9.2
56.29325	0.8
57.03425	1.4
57.07057	1.7
57.10700	0.8
65.03910	1.2
67.05161	1.3
67.05498	19.5
68.27831	1.0
69.07059	15.8
70.09811	3.2
71.04980	1.8
78.09927	1.0
79.05489	12.2
81.07047	22.0
83.04968	5.3
83.08601	3.5
88.18040	0.9
91.05465	14.1
93.07034	16.9
95.04962	6.7
95.08601	10.9
97.06516	2.6
97.10136	1.9
103.05500	1.1
105.07016	16.9
107.04928	4.8
107.08585	11.3
109.06513	7.1
109.10155	6.0
111.08087	1.0
117.06971	5.1
119.08572	9.5
121.06514	5.2
121.10165	4.6
123.08070	4.4
123.11655	2.1
128.86826	0.8
129.07005	1.6
131.08533	8.8
133.06473	1.6
133.10112	11.3
135.08032	2.4
135.11670	3.1
145.10098	7.0
147.08047	2.2
147.11696	7.7
149.09575	3.4
149.13184	1.1
151.11154	3.5
155.08504	1.4
157.10109	1.8
159.11670	4.9
161.09598	3.2
161.13235	1.5
163.11122	2.8
171.11618	1.5
173.09567	2.5
173.13286	2.4
175.11108	2.2
183.11702	1.3
189.12717	0.9
191.14273	2.1
201.12775	1.8
207.13774	1.5
215.17857	2.1
219.13817	3.0
229.19406	2.1
233.15439	1.0
237.14787	1.4
239.17929	2.7
247.20618	2.9
257.18954	11.8
275.20035	100.0
276.20398	0.9
291.90860	0.9
293.21072	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.58067	1.8
53.03937	5.1
55.01849	7.5
55.05505	40.2
55.05773	2.0
56.35902	1.8
67.05499	29.2
69.03432	3.9
69.07065	10.9
79.05482	46.1
81.03404	7.4
81.07048	34.2
83.04951	5.2
83.08602	24.3
85.02883	3.4
85.06544	3.2
91.05467	17.7
93.07035	23.4
95.04955	100.0
95.08566	13.9
97.06521	5.9
97.10165	23.7
98.21117	11.2
105.07020	17.3
107.04948	9.7
107.08582	34.2
109.06507	7.1
109.10129	8.4
111.08097	1.9
111.29470	1.6
117.06982	6.1
119.08537	11.0
121.06488	6.4
121.10126	11.8
123.08031	3.7
123.11711	2.7
125.09613	24.4
125.21116	1.9
129.06989	2.8
131.07701	1.6
131.08542	10.5
133.10103	11.1
135.08081	6.4
135.11658	4.5
145.10106	18.9
147.08029	2.7
147.11662	9.4
149.09592	39.9
149.10739	3.4
153.09102	2.6
159.11682	5.9
161.13225	3.1
163.11162	23.5
169.10121	1.9
173.11813	2.4
173.13257	2.7
187.11163	4.8
189.11246	14.3
205.12166	6.0
223.13252	44.2
224.13661	2.5
229.19513	3.5
237.14697	2.2
239.17963	3.7
247.20262	1.7
257.18881	8.1
275.20023	69.0
276.20383	2.7
293.21078	59.8
294.21506	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.84164	0.8
53.03932	3.9
55.01857	3.6
55.05505	6.2
57.03427	3.6
63.30759	0.9
65.03931	1.2
67.05497	15.9
69.03408	1.2
69.07063	4.8
70.88217	2.9
71.04988	2.2
79.05487	31.7
79.05959	1.6
81.03421	2.2
81.07050	100.0
83.04986	1.6
83.08613	3.2
85.06531	1.5
91.05473	13.4
93.07037	11.1
95.04967	4.0
95.08604	11.2
97.06507	3.2
99.08069	1.4
105.07032	13.0
107.04957	1.9
107.08575	8.1
109.06505	49.9
109.10144	4.7
111.08111	1.0
117.06990	4.2
119.08572	11.7
121.06492	1.3
121.10120	6.9
123.08054	3.9
123.11692	1.4
125.09589	1.3
129.06967	1.7
131.08562	6.1
133.10109	9.4
135.08025	1.3
135.11697	3.1
137.09575	2.4
143.08600	1.6
145.10089	4.2
147.11673	6.9
149.09659	4.4
149.13239	6.0
151.11201	3.4
157.10141	1.3
159.11678	3.9
161.13245	1.6
163.11180	1.9
163.14825	3.1
165.12668	1.1
171.11639	0.8
174.38870	0.9
175.11192	2.8
185.13269	1.0
187.14883	1.3
193.12251	3.3
201.16301	0.9
219.17404	17.1
219.74571	0.9
229.19537	2.3
239.17923	1.2
247.20477	4.6
257.18951	3.2
275.20041	36.8
276.20493	1.6
293.20972	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	27.6
55.01865	20.5
55.05504	21.7
57.03410	3.6
67.05495	66.4
69.07059	47.9
69.39617	4.1
69.39729	5.0
69.40182	30.3
79.05492	36.4
81.03411	55.4
81.07047	77.6
83.04981	12.9
83.08627	12.7
91.05464	54.6
93.07025	45.1
94.50578	3.6
94.52599	3.6
95.01334	9.4
95.04964	16.2
95.08589	46.1
97.06525	30.4
105.07016	92.8
107.04964	23.9
107.08596	23.5
109.06519	6.5
109.10160	8.9
117.07008	18.7
119.08572	58.5
121.06493	6.5
121.10139	12.3
123.08051	16.1
129.07007	4.9
131.08505	23.9
133.10118	68.6
135.08067	3.7
135.11665	15.6
145.06474	8.0
145.10081	21.4
147.11659	25.0
149.09637	12.8
149.13254	6.0
151.11185	4.7
159.11668	20.0
161.13222	5.2
163.11212	5.2
165.09238	4.1
169.10120	4.0
171.11664	4.0
177.12715	9.8
179.14340	21.0
183.11618	4.6
187.11215	12.2
195.13808	5.1
205.12329	3.9
229.19447	4.1
239.17882	4.6
247.20551	4.5
257.19006	13.9
275.20044	100.0
278.29721	4.3
278.32709	4.2
293.21082	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	5.2
55.01865	22.9
55.05505	71.0
57.03428	5.6
59.04991	2.6
60.54802	1.7
65.03920	2.3
67.05499	58.7
67.05862	3.5
69.03413	3.3
69.07059	20.8
69.47998	14.8
69.48413	3.4
71.04979	5.1
74.33515	1.8
79.05483	99.9
81.03395	8.1
81.07041	49.7
83.04974	29.8
83.08600	27.7
85.06500	2.4
91.05476	41.1
93.07033	54.6
95.04948	11.2
95.08579	19.2
97.06521	27.7
97.10157	28.6
103.05399	3.2
105.06365	3.5
105.07021	44.8
107.04939	47.8
107.05607	3.5
107.08580	77.2
109.06515	7.3
109.10153	18.9
111.08052	4.3
117.06984	13.5
118.23176	2.1
119.08560	30.9
121.06503	3.1
121.10140	27.3
123.08036	5.7
123.11681	6.2
125.09612	30.6
129.06918	3.0
131.08536	18.1
133.10104	26.2
135.08058	11.6
135.11670	6.3
145.10101	14.6
147.11682	18.1
148.41898	1.9
149.09599	87.6
150.09874	2.3
151.11093	2.2
153.09116	4.4
157.10106	2.7
159.11676	11.1
161.13210	6.8
163.11201	6.0
163.14706	5.0
169.10033	2.9
169.12222	5.5
173.11737	5.9
173.13254	7.9
177.12730	2.4
187.11162	4.9
187.14818	2.2
189.11217	19.6
191.14383	3.1
197.13318	2.6
209.15419	7.2
215.17885	4.2
229.19495	9.5
233.15407	2.5
239.17984	4.1
247.20576	6.8
257.18927	23.7
275.20035	100.0
276.20413	6.7
293.21152	14.5
295.79279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.67247	0.9
53.03699	1.2
53.03939	17.3
53.41698	1.0
55.01861	9.9
55.05503	50.3
57.03429	2.3
57.07050	2.0
67.05495	38.8
68.50330	0.9
69.03391	1.5
69.06715	1.5
69.07057	20.5
70.80134	2.2
70.80509	2.1
71.04973	2.4
79.05481	31.1
81.03405	39.7
81.07047	40.7
83.04980	5.9
83.08607	70.7
83.36114	1.0
85.06535	2.5
91.05468	24.7
93.07033	29.1
93.07615	2.1
93.09769	1.1
95.01310	2.6
95.04955	22.1
95.08583	18.1
97.06536	6.6
97.10135	2.2
98.20992	1.8
99.08060	1.7
105.06365	1.7
105.07014	21.4
107.04939	30.9
107.08582	13.0
109.06493	9.0
109.10162	5.3
111.04408	1.6
111.08066	15.6
114.65340	1.0
117.07004	11.2
119.07781	1.7
119.08567	18.3
121.06471	4.6
121.10114	17.7
123.04459	1.7
123.08049	4.1
125.09621	1.3
129.06993	3.8
130.07745	1.3
131.04918	3.0
131.08565	10.1
133.10095	7.2
135.08041	3.9
135.11662	10.4
137.09566	1.2
139.11148	1.4
145.06458	7.7
145.10101	24.1
147.11656	9.6
149.09607	13.1
149.13217	2.1
151.11180	1.9
155.08539	8.9
157.10130	1.5
159.11665	8.2
161.13223	2.9
163.11160	27.0
165.12755	7.3
173.09598	19.6
173.13220	1.6
175.11150	1.9
177.12788	1.3
179.10651	2.1
181.12209	1.8
183.11664	1.9
187.11188	1.7
187.14796	1.3
191.10657	6.6
201.12669	3.1
209.11591	1.6
215.14459	1.2
223.13333	1.1
229.19489	2.3
229.21710	1.2
239.17896	1.6
240.61450	1.1
247.20552	2.9
257.18982	6.8
275.20029	34.3
275.22968	1.1
293.21069	100.0
294.21469	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05500	10.7
67.05492	23.7
69.07043	7.3
69.37312	21.7
79.05484	22.7
81.03381	2.2
81.07037	27.0
83.05011	2.7
83.08593	9.1
85.06506	3.0
87.54077	2.3
91.05453	16.5
93.07027	24.3
95.04955	9.1
95.08580	19.1
97.06504	6.1
98.21127	10.6
104.17485	2.2
105.07027	21.5
107.04951	3.1
107.08584	15.1
109.06501	6.4
109.10163	14.5
111.08085	4.2
114.55194	2.0
117.06992	8.9
119.08592	16.0
121.10160	13.7
123.08035	3.0
123.11686	4.1
125.09657	2.1
131.08557	7.3
133.10120	12.4
135.08055	6.9
135.11670	6.3
137.09576	3.7
143.08592	2.5
145.10129	9.0
147.11681	9.8
149.09593	17.9
151.11180	6.0
155.08482	3.0
157.10161	5.0
159.11652	9.8
161.13286	2.1
163.11174	12.7
165.12596	2.4
171.11719	4.9
173.13219	2.8
177.12782	3.2
183.11696	2.6
189.37894	2.1
197.13243	2.2
215.14340	2.9
216.46667	2.5
223.11037	2.4
229.19540	5.2
229.83536	2.0
233.28055	2.4
239.17905	12.9
257.18954	22.9
275.20041	100.0
276.20422	3.9
293.21161	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	3.4
55.05505	32.5
57.03434	5.5
57.07076	6.6
59.05005	3.1
67.05502	42.3
67.05845	1.8
69.03426	15.7
69.03751	2.4
69.07057	25.4
71.04989	17.1
71.08639	2.2
71.13688	5.6
72.08131	2.9
79.05489	31.4
81.03410	2.8
81.07052	73.0
83.04984	5.6
83.08611	16.7
84.16174	2.3
84.24291	2.0
85.06535	20.1
91.05470	33.9
93.07037	69.2
95.04968	13.1
95.08602	64.8
97.06509	11.2
97.10162	6.6
99.04450	4.3
99.08092	2.2
103.05448	2.9
105.07021	56.8
107.04946	4.9
107.08588	91.2
109.02835	2.6
109.06512	26.6
109.10146	38.7
111.04377	3.0
111.08085	9.5
113.09628	12.6
115.05435	3.5
117.07007	10.4
119.08571	62.4
120.08071	4.1
121.06493	35.6
121.10135	60.2
123.04408	2.6
123.08059	52.6
123.11697	27.3
125.09625	8.3
129.07018	4.4
131.08553	26.0
133.06493	3.2
133.10126	32.2
135.08043	100.0
135.11649	16.3
137.09598	39.3
139.11198	5.4
142.07788	3.1
143.08543	9.4
145.06517	3.1
145.10114	34.1
147.08095	14.1
147.09058	2.8
147.11658	23.2
149.02335	5.4
149.09619	49.4
149.13229	8.2
151.11230	4.7
155.08594	4.3
156.09398	3.7
157.10094	12.7
158.10970	2.9
159.08070	10.9
159.11714	26.7
160.08821	2.9
161.09595	15.1
161.13261	10.9
163.11182	27.0
163.14812	3.1
165.09096	31.6
167.10684	8.8
169.10117	3.7
171.11694	7.6
173.09654	12.3
173.13205	21.5
175.11159	22.1
175.14806	15.9
177.12775	5.8
183.11697	6.2
187.11168	9.7
187.14809	14.4
189.12703	5.1
195.11713	2.8
197.13312	6.6
199.14816	12.3
201.12775	8.6
203.14334	4.6
205.12149	3.5
205.16016	2.5
215.14323	8.4
215.17845	13.0
217.15886	9.5
219.13745	4.3
229.19579	5.5
233.15356	6.8
233.19014	18.0
239.17931	5.8
245.18947	4.6
257.18967	23.7
263.19992	20.9
275.20068	66.0
276.20444	4.4
276.80997	2.4
293.08075	4.1
293.14236	2.4
293.21133	35.7
293.24579	4.0
293.28162	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.26822	1.3
53.03940	4.6
55.01865	11.7
55.05510	26.6
57.03426	3.2
57.07071	5.5
59.04990	1.7
65.03939	2.1
67.05161	2.9
67.05500	41.3
69.03425	3.4
69.07066	31.8
69.89786	5.1
69.90216	4.2
71.04986	3.0
71.08631	1.8
73.31674	1.3
79.05482	36.5
81.03410	5.5
81.07049	77.2
83.04971	4.8
83.08617	21.8
85.06544	5.7
91.05476	28.2
93.07039	30.7
95.04958	12.0
95.08602	47.4
97.06525	17.3
97.10167	13.7
98.20950	3.3
99.08080	2.8
105.07022	30.1
107.04933	7.8
107.07861	2.2
107.08583	43.8
109.06507	16.2
109.10155	26.5
111.08061	4.9
111.11729	2.3
117.06267	1.2
117.07016	8.6
119.08566	18.7
121.06516	4.5
121.10131	15.9
123.08054	5.2
123.11717	11.7
125.09615	10.8
129.06970	1.8
131.08556	10.6
133.10133	20.3
135.08078	4.8
135.11691	8.9
137.09607	4.9
137.13245	7.1
139.11189	2.1
145.10115	12.3
147.08043	2.0
147.11684	10.2
149.09616	12.8
149.13205	7.0
151.11180	4.9
151.14784	3.8
157.10165	2.3
159.11670	8.4
161.09572	1.6
161.13260	5.6
163.11165	7.9
163.14861	3.2
165.09094	2.9
165.12737	3.1
167.14279	2.4
169.10114	2.1
171.11658	2.4
173.13231	4.5
175.11134	2.8
177.12772	2.8
183.11725	2.1
187.11229	2.7
188.78246	1.3
189.11206	6.2
191.14256	2.9
195.13708	2.1
197.13339	2.0
201.12848	1.7
215.17969	2.4
229.19510	5.9
233.63640	1.8
239.17888	6.7
247.20648	5.4
257.18967	15.3
275.20041	100.0
276.20425	4.1
293.21091	26.7
293.28333	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.1
55.05508	29.0
55.54403	2.4
56.96584	3.1
57.03428	3.7
57.07066	12.9
59.04999	5.8
67.05496	57.2
69.03429	14.7
69.07061	31.5
70.24796	7.5
70.25208	5.4
71.04991	19.9
71.08617	2.6
73.54571	2.7
79.05484	31.2
81.03415	3.2
81.07048	100.0
83.04966	7.7
83.08611	18.4
85.02908	3.2
85.06532	17.8
91.05463	32.0
91.26077	2.5
93.07039	66.1
95.04965	11.4
95.08598	83.7
97.06532	8.0
97.10148	10.3
99.04449	5.8
103.05472	3.1
105.07025	55.0
107.04945	7.2
107.08581	84.8
108.05831	2.9
109.06510	24.1
109.10146	52.9
111.08082	10.8
111.11755	3.8
113.09653	12.3
117.07018	10.6
119.08577	61.2
119.09430	3.1
121.06508	31.1
121.10130	74.6
123.04465	3.4
123.08051	42.7
123.11693	31.4
125.09631	12.4
128.06203	2.8
129.07001	6.8
131.08524	27.1
133.10127	36.7
135.08040	97.6
135.11653	17.4
137.09602	34.1
137.13246	11.7
139.11143	7.7
142.07796	4.6
143.08582	10.0
145.10115	32.8
147.08017	14.2
147.11661	23.6
149.09601	42.3
149.13211	13.3
151.11140	6.0
155.08543	3.9
157.10075	15.9
159.08119	11.8
159.11656	28.1
161.09601	16.9
161.13263	11.0
163.11168	31.2
163.14818	4.8
165.09099	34.9
167.10710	10.2
169.10121	5.1
171.11699	9.9
173.09608	10.3
173.13260	24.8
175.11166	20.6
175.14746	15.6
177.12708	4.4
187.11154	7.5
187.14813	14.1
189.12704	6.4
191.14288	4.5
193.12334	2.7
197.13272	5.2
199.14777	12.9
201.12775	6.2
203.14378	4.7
205.12350	4.5
205.15785	2.9
207.13892	3.1
213.16461	3.3
215.14290	7.9
215.17938	9.1
217.15816	5.5
219.13747	3.2
229.19434	6.4
233.15381	8.1
233.18987	14.7
235.17004	2.5
238.71782	2.4
239.17967	6.8
245.19052	7.5
247.20662	2.9
257.18991	22.5
263.20026	25.2
267.34015	2.6
269.12357	2.8
270.12476	3.6
275.20044	70.3
276.20361	3.1
293.21106	46.2
293.24664	7.3
293.28180	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	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.46028	1.4
53.03940	3.5
55.01866	3.6
55.05506	15.0
57.02669	1.6
57.03410	3.1
57.07083	3.4
59.05002	3.0
61.02916	3.9
67.05495	30.8
69.03422	7.9
69.07065	19.9
69.40498	16.0
71.04987	10.4
71.08608	1.9
71.28024	1.4
73.02896	2.5
79.05482	24.3
81.03432	3.4
81.06568	2.8
81.07048	51.9
83.04963	7.6
83.08611	10.3
85.02892	6.8
85.06531	11.0
89.06065	1.5
91.05467	17.0
93.07030	34.7
94.03586	1.5
94.07377	2.3
95.04974	7.6
95.08592	52.6
97.02900	3.2
97.06520	100.0
97.10162	5.3
98.20734	3.3
98.97610	2.2
99.04417	3.2
99.08084	3.9
101.06008	10.6
105.07023	30.8
107.04957	3.1
107.08585	48.3
109.06499	21.5
109.10141	29.2
111.08063	10.5
113.09612	7.9
113.59101	1.5
117.06986	4.4
119.08562	27.5
121.06505	9.6
121.10133	38.0
123.08069	9.6
123.11703	11.6
125.09581	7.2
127.07522	2.0
129.09149	1.4
130.07785	2.3
131.08565	15.1
133.10092	19.4
135.08025	15.8
135.11674	13.6
137.09602	20.7
137.13226	5.4
139.11198	4.0
142.07710	2.6
143.01765	1.5
143.08543	8.1
145.06532	1.7
145.10106	12.8
147.04300	1.9
147.08070	2.1
147.11696	14.1
149.09612	16.8
149.13225	5.2
151.11186	4.8
153.09062	1.7
155.08488	2.5
155.10635	2.8
157.10100	12.7
159.07915	1.5
159.11676	17.5
161.05925	1.5
161.09590	5.4
161.13281	5.2
163.11148	8.7
163.14792	1.9
165.09065	2.8
165.12793	2.7
167.10664	5.3
169.10251	1.8
171.11690	5.1
173.13202	9.8
175.11172	6.3
175.13518	1.8
175.14809	11.4
177.12703	3.6
183.11676	4.6
185.13188	1.8
187.11147	2.6
187.14836	6.9
189.16347	2.3
190.45641	1.5
197.13278	4.1
199.14810	15.0
201.12660	2.9
203.10936	5.8
203.14198	2.1
205.15831	2.1
211.14841	2.2
212.11459	9.3
212.61662	2.4
213.16399	3.7
215.14421	3.4
215.17926	6.2
217.15884	8.4
219.02878	14.7
227.17924	2.3
229.19490	2.1
233.15285	2.4
233.19014	6.1
235.16881	11.6
239.17903	4.3
245.19046	1.8
247.02321	22.4
257.12436	2.9
257.19040	18.3
263.20090	5.6
272.10889	2.0
275.20029	46.2
276.20410	1.9
293.02756	1.8
293.17670	2.8
293.21042	29.8
293.24722	3.4
293.28253	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2466
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.19125	0.7
53.03937	1.5
55.01868	0.9
55.05505	9.0
57.07066	2.3
62.94454	0.7
65.03934	2.2
67.05497	86.8
69.07059	10.0
71.04992	0.9
71.08627	0.9
71.11866	1.4
79.05483	13.6
81.07047	100.0
82.07368	0.7
83.04964	1.7
83.08599	5.8
85.06533	2.1
88.82320	0.6
91.05470	5.0
93.07031	11.1
95.04961	2.4
95.08594	76.4
97.06522	3.1
97.10162	3.3
98.20973	1.0
99.08124	1.0
105.07012	5.7
107.04975	0.8
107.08579	9.8
109.06509	2.2
109.10143	42.4
110.10474	0.7
111.08095	1.6
111.11713	1.0
115.07555	1.0
117.07008	1.7
119.08560	4.4
121.10131	9.5
123.08071	2.8
123.11689	29.0
125.09642	1.4
129.09131	0.8
131.08537	6.4
131.19916	0.7
133.10104	5.5
135.07996	0.8
135.11684	6.4
137.09598	2.6
137.13243	12.9
139.11221	1.3
141.09074	0.9
145.10086	4.7
147.11705	4.3
149.09595	3.0
149.13219	3.5
151.11171	3.2
151.14833	4.0
157.10109	0.9
159.11673	3.8
161.13283	3.3
161.87381	0.7
163.11191	2.5
163.14787	2.8
165.12708	2.2
165.16350	1.1
168.28839	0.7
168.75591	0.6
173.13174	4.4
175.14711	1.1
177.12714	2.3
177.16368	1.9
179.14270	2.4
181.01476	0.7
187.14751	4.3
191.14304	2.6
201.16296	1.1
205.15840	1.8
209.15382	1.6
219.17494	0.7
219.21008	2.2
223.16861	2.0
233.22527	1.2
237.18408	2.5
243.21059	7.8
261.22125	11.8
275.19943	4.8
293.09875	1.1
293.21140	3.9
293.24670	37.0
294.10614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
52.67785	0.9
53.03933	1.4
55.05256	1.5
55.05506	22.8
57.03433	1.2
57.07072	21.4
59.04972	1.4
64.36808	0.9
67.05499	27.4
69.03413	3.1
69.07063	56.2
70.24372	2.7
70.24784	1.8
71.04968	3.2
71.08332	0.9
71.08630	10.0
79.05486	11.9
81.07049	100.0
83.04990	1.1
83.08131	2.0
83.08611	38.6
85.06537	14.6
85.10162	3.7
91.05449	5.3
93.07034	24.5
95.04938	2.4
95.08596	99.3
96.08938	1.2
97.06510	3.5
97.10160	21.2
98.21406	1.5
99.08082	10.4
105.07047	4.9
107.08583	33.7
109.06543	1.6
109.10146	62.2
111.08068	9.4
111.11710	13.4
113.09622	2.1
119.08582	2.6
121.06509	1.1
121.10130	18.4
121.82654	0.9
123.08037	1.6
123.11694	49.4
125.09603	4.1
125.13264	5.8
127.11147	1.4
131.08516	1.3
133.10069	1.5
135.07999	2.1
135.11682	10.0
137.09634	1.7
137.13243	38.5
139.11165	4.1
139.14769	1.7
145.10107	1.7
147.11714	1.5
149.09624	2.1
149.13249	31.2
151.14766	7.5
153.12737	4.1
155.14253	1.1
159.11703	2.3
163.14807	9.8
165.16380	5.2
167.14296	21.4
169.15891	1.3
177.16347	3.9
179.17981	5.2
183.17461	1.1
191.17998	1.4
193.19489	1.9
205.19411	3.5
215.14252	1.0
219.21094	3.1
223.20396	1.3
233.15337	1.4
237.22141	1.8
249.25731	2.7
257.19110	1.5
262.25482	1.1
275.20007	6.5
275.27310	11.6
293.21237	2.0
293.28351	59.8
294.28665	2.4
308.63870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05508	15.8
57.07068	14.4
59.04979	2.2
62.95469	1.1
65.03951	1.1
66.60218	1.1
67.05167	1.7
67.05499	26.9
69.03382	1.2
69.07059	47.0
70.07396	1.2
70.41328	1.8
70.41745	3.5
71.04942	2.0
71.08637	7.1
79.05478	10.0
81.07047	100.0
82.07366	1.4
83.08128	1.7
83.08605	28.2
85.06522	11.9
85.10147	1.4
91.05431	2.7
93.07030	15.7
95.04935	1.2
95.08593	96.4
97.06516	2.3
97.10148	15.1
98.97601	1.2
99.08067	7.3
101.32747	1.2
105.07008	2.3
107.08585	16.3
109.10143	58.7
110.10413	1.2
111.08057	5.5
111.11693	10.6
113.09654	1.7
116.98650	1.6
119.08572	1.3
121.10128	11.1
122.10374	1.1
123.11692	32.1
125.09618	2.3
125.13225	5.3
131.08572	1.7
135.11644	7.7
137.13239	40.7
139.11122	2.3
139.14749	1.7
143.88257	1.1
149.13240	17.9
151.14796	8.5
153.12747	1.4
163.14810	8.9
165.16377	4.1
167.14328	7.8
177.16365	2.9
179.17940	2.5
184.50372	1.4
191.17941	1.9
193.19461	1.3
195.16891	1.2
205.19453	1.2
215.14290	1.5
216.68956	1.3
219.21074	1.6
223.20602	1.8
237.21983	1.2
247.23976	1.6
249.25838	2.1
275.20007	3.0
275.27319	6.3
293.25015	2.3
293.28333	45.4
294.28751	1.4
311.04480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
54.65760	0.8
55.01866	12.0
55.05504	30.4
55.06559	0.8
56.15772	0.8
56.96550	1.3
57.03419	3.8
57.07064	6.6
59.04980	1.5
65.03923	2.2
67.05496	46.7
68.05821	0.8
69.03416	4.1
69.07060	37.5
69.89748	4.5
71.04981	4.2
71.08611	3.1
73.41788	0.9
79.05484	42.3
81.03419	5.9
81.07047	92.6
82.07372	3.3
83.04970	7.8
83.08611	25.4
84.79884	0.9
85.06528	6.9
85.10163	1.4
87.04411	1.0
91.05469	28.7
93.07032	35.1
95.04955	12.4
95.08595	62.5
96.08925	1.2
97.06519	18.0
97.10152	18.6
98.97572	1.5
99.08075	4.4
105.07019	32.7
107.04944	8.9
107.08582	53.9
108.08913	1.9
109.06502	13.4
109.10145	31.8
111.08064	5.8
111.11707	5.4
113.09584	1.2
116.98614	1.7
117.07001	8.7
119.08566	23.2
121.06492	4.2
121.10133	20.4
123.08060	5.3
123.11694	16.6
125.09618	13.5
125.13245	1.1
127.11112	1.2
128.76128	0.8
129.06981	3.0
131.08548	13.2
133.06453	1.4
133.10112	22.8
135.08055	5.5
135.11678	12.9
137.09619	7.3
137.13235	8.7
139.11174	2.0
143.08531	2.0
145.06526	1.2
145.10094	11.6
147.04427	1.1
147.07939	1.8
147.11678	16.0
149.09598	16.7
149.13248	11.5
151.11147	5.8
151.14778	5.1
153.12775	2.2
155.08543	2.5
157.10095	2.6
159.11667	10.0
161.09721	1.3
161.13214	5.2
163.11166	8.6
163.14767	4.1
165.09094	3.3
165.12761	3.4
165.16338	1.9
167.14291	2.3
169.10135	3.1
171.11667	3.4
173.09618	2.0
173.11852	1.1
173.13190	4.7
175.11206	2.6
175.14668	1.4
177.12714	3.1
177.16345	1.4
179.14310	1.2
179.17921	1.5
183.11723	2.4
185.13225	0.8
187.11198	1.7
187.14772	1.4
189.11189	8.1
189.12679	1.6
191.14304	1.5
191.17952	1.0
193.12184	1.2
197.13261	3.0
201.16353	0.9
205.12184	1.0
207.13818	1.0
213.16345	1.1
215.14276	1.6
215.17932	1.0
219.13890	1.1
223.13136	1.1
229.19501	3.5
233.15498	0.8
233.18724	1.0
235.16853	1.0
239.17976	6.4
247.20567	7.0
257.18982	12.7
258.19437	1.2
273.62558	0.8
275.20029	100.0
275.27234	3.3
276.20447	6.7
293.21057	31.5
293.28262	15.0
294.21506	3.0
296.08969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01873	10.0
55.05505	75.6
56.05848	2.7
56.46781	1.9
56.96552	2.8
57.03429	15.5
57.07062	4.8
59.04995	65.3
67.05501	27.7
67.50940	2.0
69.03411	7.6
69.07064	23.7
69.99895	9.4
70.00317	3.8
70.07408	3.4
71.04987	29.5
79.05492	16.3
81.03398	4.4
81.07056	33.3
82.07373	7.2
83.04954	6.6
83.08612	34.7
84.41477	2.3
85.02903	18.8
85.06515	5.9
86.09711	2.7
87.04459	100.0
89.06007	17.1
91.05493	5.5
93.07032	13.6
94.07368	2.7
95.04970	5.2
95.08611	21.0
96.08911	6.7
97.02857	3.4
97.06528	3.6
97.10158	67.9
98.97532	4.6
99.04440	28.9
105.07032	8.8
107.04940	3.3
107.08578	22.6
109.06483	2.3
109.10156	11.9
110.10464	3.9
111.04453	4.4
112.08395	2.4
116.98603	3.4
117.05486	7.5
117.06984	3.5
119.08538	8.3
121.06574	2.7
121.10141	9.2
123.04433	2.3
123.08033	2.7
123.11699	3.9
125.09615	49.4
130.42857	2.0
131.08542	6.7
135.11690	8.5
137.13220	4.6
138.13594	2.9
143.10687	5.7
145.06488	2.1
145.10104	8.3
146.75107	2.0
147.11639	2.2
149.13188	2.4
153.12688	10.6
158.99678	2.2
159.11659	2.7
161.13290	2.0
163.03929	2.4
163.11182	13.5
173.11690	9.5
176.47389	1.9
181.12187	4.0
191.10582	2.2
200.83687	1.8
209.11655	2.6
276.20480	4.6
294.21597	3.0
294.28748	7.7
295.15103	5.5
316.91425	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01857	1.6
55.05512	7.3
56.96566	22.3
57.03428	2.7
57.07056	2.9
61.02918	2.7
63.02380	1.1
63.37707	1.1
67.05502	6.7
68.17003	1.0
69.03418	8.3
69.07062	6.4
70.03955	5.8
70.06573	2.6
71.04995	2.5
71.08620	1.4
72.08158	2.7
72.29375	1.5
73.02902	2.9
73.06543	1.3
79.05480	4.9
81.03398	1.8
81.07046	11.1
83.08609	5.3
84.08128	4.5
84.96033	2.4
85.02905	13.2
86.09693	5.4
87.04478	1.9
89.03912	20.8
91.05456	6.2
93.07051	6.8
95.04958	5.5
95.08591	11.0
97.02892	5.1
97.06516	1.2
97.10174	3.4
98.97578	26.4
99.04435	2.6
99.08077	1.7
102.96912	1.3
105.07039	8.2
107.04951	4.5
107.08590	5.4
109.10142	5.8
110.97581	1.3
111.04437	1.1
111.11745	1.6
116.07063	1.5
116.98614	30.1
117.03394	10.4
117.06975	1.4
119.04948	2.1
119.08608	5.9
120.97904	1.4
121.02866	2.2
121.06519	1.4
121.10143	3.8
123.04394	2.2
123.08025	1.5
123.11660	1.6
127.03910	2.6
128.98613	4.4
129.06982	1.5
131.00110	1.5
131.08537	4.2
132.10188	1.9
133.10124	3.7
134.99660	18.6
135.04407	26.8
135.07988	1.3
135.11720	2.0
137.05896	1.5
137.09528	1.1
139.03911	1.5
142.07779	1.4
143.08543	3.8
145.01723	2.5
145.02835	16.7
145.04875	1.5
145.10112	3.0
146.99643	5.5
147.03352	1.5
147.04353	5.6
147.11659	4.0
149.01245	2.9
149.02316	2.3
150.07794	2.6
150.96890	2.7
153.00708	2.9
154.08614	2.2
155.04588	2.4
155.79024	1.2
157.10123	2.2
158.99634	11.5
159.11697	8.0
161.01231	2.8
161.13235	3.5
163.03902	100.0
163.14835	1.4
164.04234	4.5
164.55380	1.3
165.00703	1.8
165.04346	1.3
168.55667	1.9
171.11667	1.8
174.96910	1.7
175.14821	1.7
177.00693	22.3
177.01952	1.6
177.05814	3.9
177.12773	1.8
177.56152	2.4
181.00087	1.2
186.96973	1.6
189.00735	1.9
189.04364	4.1
189.06914	2.0
189.16374	3.6
193.00169	2.2
193.01883	1.3
195.01843	2.2
199.14804	5.0
200.02396	1.3
207.05440	2.1
214.07755	1.9
217.05402	2.6
217.15817	6.0
219.01717	2.0
225.00665	1.3
225.04161	1.3
227.57104	2.0
234.99092	2.1
235.16914	5.4
235.55754	2.4
237.00580	2.9
237.02829	10.0
245.22496	1.8
248.99254	3.2
249.81410	1.2
255.01743	2.7
262.22797	1.7
263.23642	2.8
267.00287	2.9
273.02533	2.6
276.99619	1.9
277.11987	1.4
277.21561	1.5
291.04709	1.3
291.07407	7.1
294.61581	4.4
295.01062	2.1
295.12845	4.7
295.19025	1.7
306.20050	1.2
309.05060	2.1
309.08554	29.3
310.09000	2.4
313.98575	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0809
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
53.03938	0.3
55.01868	0.3
55.05494	0.6
56.96548	0.6
57.03416	0.4
57.07064	0.6
61.02914	0.6
63.02367	0.3
65.03938	0.3
67.05511	1.0
67.84998	0.2
69.03125	0.2
69.03426	2.6
69.07062	2.0
70.06568	0.7
71.01326	0.2
71.60440	0.3
72.08136	0.4
73.02906	0.4
79.05477	1.8
81.03407	0.5
81.07040	1.8
83.08614	0.6
84.08105	0.3
85.02895	4.6
86.09675	1.1
87.04441	0.6
87.08064	0.4
88.03993	0.2
89.03900	5.2
91.03944	0.3
91.05461	3.3
93.07052	1.0
94.06581	0.2
95.04959	0.8
95.08572	1.2
97.02869	1.5
98.97589	0.3
99.04449	0.3
105.07019	1.4
107.04946	2.5
107.08578	0.6
109.02861	0.6
109.10156	0.7
111.11705	0.4
115.03906	0.4
116.98633	0.3
117.03370	7.4
119.04922	2.3
119.08558	0.8
121.06475	0.4
121.10139	0.5
123.04398	0.3
123.08026	0.3
127.03915	1.0
130.08600	0.2
131.08556	0.4
132.10191	0.3
133.10118	0.6
134.99646	0.7
135.04404	19.0
136.07562	11.7
136.08665	0.3
139.03865	0.3
142.07730	0.2
143.08542	0.3
145.02834	11.7
145.04939	1.1
146.05977	0.4
147.04388	2.1
147.11601	0.3
148.04745	1.6
150.07748	0.9
153.01799	2.8
154.02153	0.9
159.11671	1.1
161.13312	0.4
163.03885	100.0
164.04248	1.3
165.06912	0.4
167.25256	0.2
171.11545	0.3
177.05414	0.4
177.12695	0.2
186.05487	0.6
189.16347	0.4
197.85214	0.2
199.14752	0.3
207.10110	0.2
217.15839	0.7
219.01886	0.3
224.43745	0.2
235.16930	0.5
239.77115	0.2
249.20078	0.2
277.21863	0.3
283.17419	0.3
295.08044	1.7
295.11545	0.4
295.16458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.54097	3.5
53.03938	4.3
55.01851	5.0
55.05502	33.0
57.03429	26.9
57.07062	7.9
62.24223	3.8
67.05169	5.0
67.05499	57.7
69.03437	3.2
69.07055	25.9
69.60162	29.6
71.04975	13.7
71.08624	5.1
77.21738	3.4
79.05490	49.3
79.89020	3.5
81.03409	8.2
81.07052	88.6
83.04951	13.4
83.08601	14.9
85.06538	6.0
85.10160	9.4
91.05463	25.5
93.07043	46.8
95.04929	11.7
95.08594	58.7
97.06509	8.7
97.10152	10.6
99.08094	7.8
105.07011	24.0
107.04933	5.1
107.08581	48.2
109.06478	5.5
109.10130	30.4
111.08070	7.8
113.09650	8.4
119.08543	22.8
121.10132	41.6
123.08078	9.7
123.11694	6.9
125.09652	6.1
129.66638	3.4
131.08562	10.7
133.10136	24.1
135.11665	25.1
143.08557	5.4
145.10110	11.8
147.11690	16.9
149.09668	4.7
149.13234	11.2
151.11201	8.1
157.10054	6.5
159.11702	9.4
161.13141	7.0
163.11211	3.7
163.14716	3.4
165.12726	15.0
173.13287	6.3
179.14268	6.7
181.12183	4.0
184.07336	4.5
187.14793	15.2
189.16408	3.6
190.12970	3.6
199.14769	5.0
201.67145	3.8
205.15955	4.9
207.17422	100.0
221.19006	6.5
241.19508	9.5
259.20529	12.3
264.11163	3.6
273.96884	3.5
277.21600	90.8
295.22751	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	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.28768	2.7
53.03940	5.5
55.01859	6.7
55.05504	23.0
57.03420	4.7
57.07065	31.2
67.05496	39.7
69.07056	26.0
69.47741	27.6
71.04980	5.3
71.08596	8.8
79.05479	27.0
81.03400	14.7
81.07048	53.5
83.04957	12.5
83.08598	18.0
85.06487	3.5
85.10173	81.0
91.05481	35.0
93.07025	38.2
95.04962	19.1
95.08601	43.7
97.06508	10.1
97.10142	7.5
98.21607	5.9
99.08065	7.9
105.07024	26.9
105.90980	3.4
107.04945	21.4
107.08584	17.9
109.06489	7.2
109.10139	18.1
111.08050	7.4
113.08865	6.4
113.09624	100.0
119.08536	16.1
121.10134	12.0
123.08023	7.6
123.11677	7.4
125.09571	4.0
129.06975	8.6
131.08528	8.8
133.10106	9.6
135.11685	8.7
143.08566	6.5
145.10115	7.2
145.69730	3.1
147.11688	17.5
149.09608	14.8
149.13216	8.5
151.11157	8.0
153.12698	3.1
157.10077	5.4
159.11684	5.0
161.13229	11.3
163.11148	19.4
165.12720	58.7
171.11703	5.0
174.98474	5.9
175.11156	15.1
175.14775	7.3
179.14230	7.1
185.13361	3.8
187.14937	3.2
189.12759	3.6
198.26093	3.4
199.14813	4.4
200.18539	2.9
201.56490	3.0
207.13756	3.6
207.66444	2.9
213.00098	7.5
217.15895	4.1
219.63211	3.1
221.15288	4.4
231.01328	3.2
234.10313	6.0
235.07597	4.1
241.19472	6.6
250.09880	7.7
259.20538	8.5
265.12228	16.1
277.21616	68.2
295.22678	10.6
296.16437	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	295.2266
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
55.01618	3.1
55.01869	44.7
55.05506	30.1
57.03409	2.6
57.07066	8.1
63.51138	1.7
67.05172	2.6
67.05502	34.7
69.03407	2.1
69.07059	14.7
69.52847	16.2
71.04981	2.9
71.08616	14.9
79.05486	22.9
81.03406	8.2
81.07047	39.4
82.63268	1.7
83.04976	13.0
83.08624	19.2
85.06528	4.1
85.10173	14.5
89.96620	2.1
91.05479	22.6
91.23187	2.4
93.07036	29.8
95.04971	8.7
95.08603	30.5
97.06529	14.4
97.10145	6.0
99.03613	1.7
99.08073	15.5
105.07021	18.1
107.04940	4.2
107.08594	18.2
109.06496	6.7
109.10126	11.4
111.08073	53.7
111.08839	2.9
113.09629	14.6
117.07002	3.8
119.08590	12.1
121.10136	14.4
123.08068	5.1
123.11686	4.8
125.09613	3.7
131.08574	5.6
133.10132	21.9
135.08072	2.3
135.11664	8.5
137.09598	3.1
139.11136	3.6
142.06195	1.7
145.10118	5.4
147.11682	13.9
149.09602	7.0
149.13272	10.2
151.11174	19.5
153.12741	4.5
157.10103	4.5
159.11748	3.7
161.13292	9.4
163.11188	6.0
165.12758	22.7
171.11641	3.5
173.13170	2.4
175.11147	3.7
175.14804	3.1
179.14273	9.8
193.12152	2.1
199.14821	2.6
204.71983	1.9
217.15912	2.2
221.15356	2.3
231.21046	4.8
241.19563	4.2
249.22163	6.1
259.20563	8.5
265.12085	2.4
277.21600	100.0
278.21902	2.5
295.22662	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	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	6.3
55.01861	9.3
55.05504	31.5
56.96546	2.1
57.03428	3.8
57.07067	26.3
62.93615	1.5
67.05493	44.1
69.03408	4.3
69.07055	25.7
71.04991	4.9
71.08625	4.2
74.64422	1.4
79.05486	33.8
79.37326	1.7
81.03410	19.2
81.07046	51.3
81.07512	3.5
83.04971	18.5
83.08611	15.4
85.06535	4.3
85.10171	58.2
86.09676	2.6
91.05466	30.1
93.07033	32.9
95.04964	21.5
95.08596	37.0
95.09153	3.1
97.06522	11.2
97.10148	10.6
99.08096	4.6
101.78650	1.8
102.29013	1.6
105.07013	27.2
107.04952	18.6
107.08580	25.0
109.06512	11.7
109.10139	21.3
111.04528	1.7
111.08066	3.2
113.09625	79.1
113.97413	1.7
117.06997	3.1
119.08556	15.6
121.06503	1.7
121.10119	12.7
123.08095	9.7
123.11717	6.1
125.00008	2.3
125.09620	4.2
128.06233	2.3
129.07008	5.2
131.08545	10.2
133.10100	18.2
135.08078	2.2
135.11653	9.5
137.09622	3.8
137.13251	2.5
142.07780	3.2
143.08522	3.8
144.09409	1.6
145.10135	6.9
147.11647	12.6
149.09583	13.2
149.13268	3.9
151.11176	13.8
153.12746	2.5
157.10155	5.7
159.11674	5.3
161.13242	6.1
163.11151	10.5
163.14786	2.4
165.12735	57.9
165.14125	3.3
167.10658	4.7
167.14308	3.0
169.12276	1.9
171.11691	4.4
173.13298	4.1
175.11224	6.1
175.14847	3.3
179.14304	6.0
181.12231	3.8
184.07384	4.3
185.13281	3.2
187.14781	2.1
199.14833	3.5
207.13808	2.4
221.15263	2.1
231.21167	3.0
234.10475	4.4
241.19522	3.7
249.22142	2.9
250.10010	3.1
259.20551	10.1
265.12238	11.3
277.21591	76.2
295.22668	100.0
296.16437	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.95954	1.6
53.03939	9.7
55.01857	6.6
55.05508	20.4
57.03444	1.9
57.07062	7.4
63.14065	1.6
67.05158	3.3
67.05496	44.7
69.03407	2.4
69.07061	32.6
69.07425	1.2
69.57990	7.5
69.58408	6.5
71.08604	4.3
79.05486	34.8
81.03410	51.4
81.07046	46.2
83.04976	12.3
83.08605	11.8
85.06528	2.6
85.10181	4.8
91.05474	14.9
93.07032	27.0
95.04961	29.4
95.08577	15.5
95.68445	1.7
97.06525	2.8
97.10152	5.8
98.21526	3.7
99.08067	2.9
105.07012	18.0
107.04939	2.2
107.08579	19.4
109.06514	6.3
109.10141	16.7
111.08074	3.9
113.09623	4.3
116.20646	2.0
117.06985	2.6
119.08567	9.9
121.10090	8.6
123.08136	3.4
123.11693	8.7
125.09621	5.6
129.06985	3.5
131.08543	3.0
133.10136	12.2
135.08046	4.3
135.11684	6.4
137.09564	3.0
143.08516	1.9
147.11652	11.4
149.09572	2.1
149.13271	6.3
151.11163	38.2
151.14856	2.1
153.09064	4.0
161.13280	9.2
163.11101	2.0
163.14876	3.2
165.12759	11.5
170.66887	2.0
171.11684	4.3
173.13153	1.8
175.10989	2.3
175.14778	3.5
179.14291	5.7
189.12654	2.1
189.16530	2.3
194.04097	1.9
202.81964	2.0
207.13780	3.4
217.19437	2.5
231.20963	8.2
237.46773	1.8
241.19489	5.8
241.32030	1.7
248.68648	2.0
249.22099	4.6
259.20554	6.7
277.21600	100.0
278.22067	2.0
295.22577	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	295.2263
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	4.8
55.01859	3.6
55.05504	21.5
55.94126	3.2
57.03419	3.9
57.07066	27.5
58.69527	2.7
67.05491	29.5
69.07063	16.0
69.52190	3.2
71.07627	4.0
71.07959	5.7
79.05479	20.0
81.03397	12.7
81.07034	31.6
81.63953	2.6
83.04973	12.4
83.08618	12.1
85.06528	3.6
85.10174	62.1
86.92827	2.7
91.05477	24.5
93.07044	21.9
95.04939	17.3
95.08598	29.4
97.06509	5.8
97.10172	5.4
99.08117	3.4
102.89328	2.9
105.07003	22.0
107.04929	17.3
107.08580	13.0
109.06519	7.0
109.10123	10.2
113.09627	100.0
117.07051	4.3
119.08575	12.9
121.10149	9.7
123.08027	6.3
125.09615	3.8
129.06995	3.6
131.08557	8.2
133.10095	8.4
133.44785	2.9
135.11751	5.7
137.09657	4.6
145.10150	3.4
147.11676	14.3
147.78148	2.7
149.09608	10.1
149.13210	3.0
151.11198	5.9
157.10115	5.2
159.11627	3.5
161.13290	4.6
163.11142	15.3
165.12741	60.1
171.11644	4.2
175.11186	10.4
175.14899	5.5
179.14270	5.1
235.07478	3.7
239.54204	2.6
250.09790	6.6
259.20520	7.8
265.12259	10.7
277.21622	58.6
295.22641	70.7
316.04532	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	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.12724	2.2
53.03936	2.5
55.01867	4.5
55.05505	19.7
57.07064	3.3
59.55573	2.5
64.26744	2.4
67.05493	54.9
69.07050	17.4
71.04992	3.2
71.07173	6.1
71.08624	38.3
79.05479	40.6
81.03413	7.4
81.07040	42.8
83.04967	10.6
83.08611	14.5
91.05467	27.6
93.07034	53.0
95.04963	10.4
95.08587	34.4
96.71429	2.4
97.06508	9.7
97.10174	10.6
99.08078	40.4
105.07023	16.5
107.04932	4.4
107.08579	29.8
109.10150	28.0
113.47028	2.5
117.06964	5.0
119.08564	9.5
121.10110	30.1
123.11665	3.9
125.09628	7.7
130.23627	2.8
131.08562	3.9
133.10121	10.0
135.11678	39.9
137.09616	4.7
145.10069	3.9
147.11681	5.7
149.13222	14.6
151.11160	11.7
157.10059	3.0
159.11659	5.7
161.13258	9.8
163.11171	6.1
167.10582	3.7
173.11803	3.4
177.12663	4.5
179.14278	100.0
179.15796	5.2
189.11205	10.6
189.12717	4.8
195.13747	2.8
199.14944	2.8
221.15288	4.6
235.16875	6.3
259.20569	6.6
263.85095	2.5
277.21588	68.1
295.22684	8.0
298.06693	2.7
316.17255	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	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	3.8
55.01865	12.5
55.05505	77.0
56.06874	1.6
57.07081	3.1
60.01956	1.7
67.05161	3.5
67.05495	48.7
68.05826	3.3
69.07053	23.5
70.03271	10.0
71.04987	3.2
79.05482	27.0
80.05800	2.4
81.03397	9.9
81.07051	54.6
82.07378	6.2
83.04966	5.9
83.08611	100.0
85.06535	4.4
91.04951	3.2
91.05474	39.3
91.06004	3.9
92.05811	2.7
93.07033	30.5
95.04961	13.0
95.08592	25.4
96.08928	3.6
97.06516	10.8
97.10184	2.9
98.20721	2.2
98.21271	3.5
99.08069	5.6
105.07023	23.3
107.04926	3.6
107.08579	21.5
109.06509	8.4
109.10126	10.5
111.07345	3.2
111.08069	27.4
117.06975	4.8
119.08576	20.8
120.08897	2.1
121.10134	16.9
123.08048	4.5
123.11707	4.9
125.09604	3.8
129.06975	7.6
129.09099	5.7
130.57005	1.7
131.08557	6.2
133.09123	2.0
133.10109	35.1
134.10394	2.4
135.11678	9.4
137.09576	2.8
139.11162	13.6
143.08607	2.1
145.10112	4.5
147.11684	26.9
148.12032	3.0
149.09627	8.5
149.13245	21.5
151.11142	12.8
157.10089	15.1
159.11679	4.7
161.13249	4.9
163.11215	2.3
163.14851	2.8
165.12767	21.5
167.14276	4.2
171.11661	5.3
173.13319	2.6
175.11232	10.8
175.14883	3.4
179.14299	5.1
184.07350	2.7
185.13225	3.9
189.12738	2.2
193.12254	5.5
199.14755	2.1
218.45847	2.2
221.15300	2.0
231.21074	2.8
241.19521	5.9
250.09869	2.0
259.20551	11.2
276.67123	1.7
277.21558	68.0
295.22507	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	295.2263
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.08398	1.6
52.12259	1.5
53.00294	1.6
53.03935	5.7
53.52370	1.4
55.01667	1.9
55.01871	22.4
55.05504	41.3
56.96540	5.2
57.03423	5.6
57.07075	14.9
59.04974	2.2
67.05499	71.5
69.03410	6.1
69.07063	33.9
69.90544	6.8
69.90960	4.3
71.04976	5.3
71.08620	37.5
74.97547	1.7
77.59428	1.9
79.05486	34.7
81.03400	17.6
81.07048	68.5
83.04963	18.4
83.08127	2.5
83.08613	30.0
85.02911	2.2
85.06535	5.6
85.10147	9.3
86.09674	2.2
91.05463	28.4
91.63961	1.5
93.07027	48.5
95.04951	18.2
95.08591	43.7
97.06525	13.5
97.10155	20.3
98.97522	2.1
99.08075	29.6
105.07024	31.2
107.04927	6.3
107.08581	29.2
109.06481	9.6
109.10143	24.8
111.08064	24.0
111.11711	2.2
112.60538	1.6
113.09627	7.7
117.07005	5.7
119.08566	24.4
121.06483	2.4
121.10158	20.9
123.08041	6.9
123.11706	9.8
125.00053	2.2
125.09576	15.0
129.06999	5.3
131.08549	7.1
133.10094	23.0
134.99640	2.2
135.07974	3.1
135.11682	17.4
137.06065	1.8
137.09636	6.4
137.13268	2.3
139.07530	2.2
139.11156	5.4
143.08542	4.1
145.10114	10.4
146.72209	2.0
147.11670	21.4
149.02316	29.9
149.09593	7.2
149.13213	13.2
151.11171	32.4
151.14781	2.0
153.09081	2.6
153.12788	3.2
157.10092	5.1
159.11691	7.9
161.09531	3.1
161.13225	14.7
163.03925	3.0
163.11212	12.9
163.14801	4.2
165.12735	18.7
167.14317	3.1
171.11639	4.8
173.13216	4.2
175.11226	4.4
175.14854	3.3
177.12775	3.7
179.14275	13.1
181.12248	4.1
184.07266	3.3
185.13228	4.8
189.11206	10.9
189.12718	2.4
193.15813	2.7
199.14806	3.6
217.15822	2.9
221.15324	3.8
226.59837	1.9
231.21054	5.4
235.16887	2.4
241.19577	9.3
249.22116	5.5
250.09561	1.9
259.20657	13.4
265.12158	5.0
277.21594	100.0
295.22693	52.4
295.26099	2.7
296.16412	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.56921	2.3
53.03958	3.8
55.01871	28.0
55.05505	62.5
57.03421	7.6
57.07069	12.5
57.60363	2.6
58.51516	2.2
59.04901	2.2
65.03896	3.3
67.05502	92.2
69.03429	4.5
69.07067	39.2
69.54765	9.2
69.55192	11.8
71.04977	6.5
71.08624	25.5
71.79536	2.4
73.06549	2.4
74.28363	2.4
79.05482	49.6
81.03420	8.7
81.07052	92.3
83.04980	20.2
83.08619	37.2
85.06535	6.2
85.10148	5.9
86.09707	2.4
91.05473	40.0
93.07040	64.3
94.25072	2.7
94.67796	2.5
95.04955	25.2
95.08033	4.7
95.08597	58.9
97.06525	13.0
97.10156	16.6
99.04429	2.7
99.08076	18.3
105.07014	38.2
107.04948	4.0
107.08589	42.7
109.06493	12.0
109.10153	31.8
111.08073	45.1
113.09617	6.6
117.07003	9.0
119.08575	29.4
121.10130	27.7
123.08087	6.0
123.11710	11.1
125.09621	13.8
129.06958	5.5
131.08580	14.4
133.10123	33.5
135.08052	5.5
135.11691	23.5
137.09639	6.7
139.11172	10.9
142.07753	3.0
143.08554	3.9
145.10133	11.3
147.08025	4.0
147.11679	18.8
149.09644	8.9
149.13252	19.5
151.11157	23.1
151.14899	3.6
157.10144	10.5
159.11678	14.4
161.09555	2.4
161.13264	15.6
163.11183	7.2
163.14888	8.2
165.12737	19.6
167.10690	5.9
167.14494	3.0
171.11684	8.3
173.13266	6.0
174.22066	2.8
175.11163	8.3
175.14867	7.4
177.12788	4.0
179.14319	9.5
184.07417	5.2
185.13240	3.9
187.14828	8.8
189.11169	13.0
189.12772	3.5
193.12201	3.9
195.13823	6.6
199.14812	6.3
209.80087	2.5
217.15930	6.4
221.15433	3.0
231.21037	6.0
234.10434	4.5
235.07532	3.8
235.16959	5.8
241.19585	10.6
249.22173	7.3
250.10020	4.2
259.20575	15.7
265.12164	15.1
277.21622	100.0
295.22678	72.6
296.16376	6.7
296.22925	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.49876	2.2
53.03939	2.4
55.01871	29.2
55.05510	48.7
57.03423	8.0
57.07067	8.0
57.18733	2.1
59.04985	2.1
67.05500	71.5
67.19699	2.0
69.03419	5.7
69.07063	31.9
69.94074	11.7
71.04994	3.5
71.08631	35.3
79.05487	39.7
79.05902	4.1
81.03401	9.2
81.06569	4.0
81.07049	72.8
83.04977	16.8
83.08610	35.9
85.06517	4.6
85.10172	4.9
91.05474	26.1
93.07043	56.9
95.04957	17.4
95.08603	48.3
97.06503	12.3
97.10136	17.2
99.08078	28.7
105.07027	27.6
107.04945	5.8
107.08585	35.0
109.06507	8.8
109.10136	19.1
111.08074	40.2
113.09633	4.7
117.07005	7.7
119.08559	18.6
121.06464	2.4
121.10134	22.0
123.08092	6.2
123.11697	6.8
125.09614	17.2
129.07011	4.7
131.08560	9.5
133.10127	28.4
135.11694	21.6
137.09648	5.5
139.11165	9.1
143.08519	2.8
145.10181	6.1
147.11694	16.4
149.09593	7.6
149.13234	16.8
151.11169	24.6
153.09009	3.0
153.12785	4.0
157.10101	3.5
159.11688	10.6
161.13257	15.9
163.11140	8.3
163.14749	4.0
165.12759	12.5
171.10233	2.8
171.11630	4.0
173.13228	2.5
175.11133	4.5
175.14799	7.2
177.12741	4.4
179.14345	9.3
185.13208	5.5
189.11224	15.2
189.12718	3.8
193.12213	4.8
195.13782	8.3
199.14911	3.6
231.20988	5.6
241.19511	6.5
249.22108	4.3
258.65424	2.3
259.20566	11.7
277.21606	100.0
295.22623	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	295.2627
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03955	0.8
55.05504	13.2
57.03434	1.3
57.07071	4.9
59.04988	2.1
67.05501	9.6
69.03425	2.0
69.07057	100.0
70.07381	0.6
71.04981	1.0
71.08632	1.7
71.61343	0.6
71.61765	0.8
79.05482	4.0
81.07043	21.0
83.05009	0.9
83.08605	8.0
85.02903	0.6
85.06513	2.6
90.95473	0.5
91.05459	5.1
93.07034	7.7
95.04973	2.0
95.08598	13.2
97.02845	0.6
97.06522	3.1
97.10166	3.9
99.08089	2.2
103.05464	2.2
105.07023	4.0
107.04957	1.8
107.08565	5.0
109.06537	1.2
109.10144	18.4
111.08078	1.5
111.11709	28.5
112.12119	0.8
113.09643	1.1
116.98651	0.6
119.08572	2.6
121.10120	7.6
123.08078	1.0
123.11680	7.1
127.11188	1.7
129.12750	3.1
131.04912	0.9
131.08585	0.8
133.10121	2.8
135.11708	2.5
137.09642	1.1
137.13243	2.1
139.11160	23.9
141.12724	0.6
147.11725	1.6
148.11183	5.8
149.09700	0.6
149.13228	3.3
151.11156	0.7
153.12665	0.6
157.12228	3.7
159.11664	1.4
163.14798	1.6
165.12752	1.5
167.10648	0.8
167.14330	0.7
175.14868	1.5
177.16325	1.5
189.16399	1.2
201.13376	0.6
201.72820	0.5
217.15909	0.6
221.09607	0.7
234.10201	0.9
235.07611	1.0
250.09891	0.7
259.20663	0.5
259.24249	1.3
265.12247	1.9
277.17731	0.7
277.25220	5.6
279.10083	1.3
295.09695	0.9
295.26279	36.5
296.16394	15.9
296.26651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	34.1
57.03425	5.7
57.07072	40.2
63.45197	3.7
66.24609	4.6
67.05496	39.7
67.47568	3.9
69.06715	7.1
69.07061	80.1
69.64875	17.3
69.65297	16.5
71.04983	11.0
71.06100	4.0
71.08624	24.2
76.55503	3.9
78.05416	3.4
79.05482	7.6
81.07050	100.0
83.08628	39.6
85.10151	11.4
85.70997	3.9
93.07007	9.2
95.08601	92.2
97.10153	36.6
98.21416	8.1
107.08611	5.9
109.10137	49.6
111.11709	30.4
123.11685	28.5
125.13261	7.7
131.08528	4.1
137.13210	8.6
146.14352	4.6
151.14798	8.2
165.16296	4.8
191.08508	7.1
205.10095	6.1
207.08113	7.0
219.08070	10.0
234.10434	33.8
235.07521	33.7
235.16757	6.3
236.08238	6.5
239.78586	4.2
250.09862	47.4
265.12238	70.6
279.23801	4.6
295.13846	4.6
296.13190	5.2
296.16498	30.0
296.29581	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	296.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05497	1.0
56.96558	0.7
57.03441	1.4
60.25498	0.8
61.02909	1.6
67.05485	1.1
69.03408	2.1
69.07059	2.5
70.04057	1.7
70.06579	2.2
70.09002	1.2
70.09399	1.7
71.04988	37.7
72.08161	1.0
79.05502	1.1
81.07045	2.9
83.04973	0.9
83.72704	0.8
84.04523	1.0
84.08157	0.8
85.02899	11.1
86.03235	1.0
86.09708	0.9
87.01194	0.7
87.08106	0.8
91.05443	1.0
95.08588	1.0
97.02882	3.0
99.08086	42.1
105.03410	0.8
105.06998	1.0
109.10127	1.0
116.98630	1.0
117.09120	100.0
119.01880	1.1
119.04902	1.1
120.08055	1.5
121.08429	1.8
123.04454	1.8
127.03938	1.1
133.02824	0.9
145.04938	2.3
147.04393	2.7
149.02576	1.0
150.07744	3.5
151.08060	2.3
163.03836	2.0
164.04266	2.0
166.08591	0.7
167.08939	0.9
167.30170	0.6
171.05055	1.4
179.03409	2.0
187.04486	1.7
197.02951	1.6
215.03987	3.3
232.13277	4.6
234.10419	3.1
235.07498	3.4
236.08286	0.9
250.09822	4.8
256.06531	1.3
265.12213	9.5
265.65988	0.8
268.56549	0.9
283.03207	1.9
292.09052	1.0
296.16345	4.4
299.06116	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47979	1.1
55.05481	1.4
56.96556	1.8
57.03413	1.2
57.07069	1.8
61.02905	2.1
67.05502	2.2
69.03410	2.9
69.07053	3.3
70.04053	2.9
70.06571	2.6
71.04984	36.7
71.60858	1.8
73.02916	1.8
79.05466	1.9
81.03384	1.8
81.07042	4.0
84.04485	1.6
85.02905	9.0
86.03210	1.4
86.09689	1.4
87.04436	1.4
88.03969	1.5
91.05449	1.7
93.73228	1.4
95.04953	1.6
95.08574	2.4
97.02876	4.2
98.21165	2.0
99.08084	39.0
105.03365	1.9
107.04930	1.9
109.02837	1.5
111.70421	1.4
117.09119	100.0
118.06492	2.1
119.01875	1.4
119.04916	2.6
120.08083	2.8
121.08424	3.0
123.04395	4.6
123.52555	1.5
127.03848	2.2
134.05986	6.3
145.03471	2.4
145.04939	2.0
147.04323	6.6
148.07613	1.7
150.07831	2.4
163.03908	3.6
171.05046	3.2
176.07094	5.4
187.04466	3.0
197.02892	6.3
200.07118	1.8
215.03976	9.8
221.09454	1.6
222.63452	1.4
231.06247	1.2
232.13306	2.6
233.05090	1.4
234.10416	5.6
235.07507	5.4
236.22664	1.1
250.09825	8.7
256.06595	2.6
265.12204	17.0
274.07617	2.8
285.04358	1.3
292.08807	2.4
296.05960	1.4
296.16544	7.3
297.10986	1.4
299.06241	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	296.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01866	11.3
55.05506	94.8
56.05837	26.3
56.96541	2.4
57.03439	3.5
57.07064	3.2
57.78907	1.9
67.05496	41.4
68.05842	13.6
69.07060	22.5
70.04095	3.2
70.07385	8.8
71.04980	4.7
71.07741	7.3
79.05485	21.3
80.05815	6.3
81.03413	9.4
81.07043	51.5
81.07508	3.0
82.07377	22.7
83.04961	8.4
83.08606	100.0
84.05276	2.8
84.08939	48.5
84.09414	3.5
85.06519	4.3
91.05467	27.7
92.05802	16.7
93.07035	21.7
94.07364	12.0
95.04950	11.5
95.08593	23.2
96.08930	12.2
97.06521	6.7
97.10194	3.1
98.06870	6.2
99.08080	3.4
105.07013	15.4
106.07342	14.4
107.08588	15.3
108.08918	9.5
109.06511	7.9
109.10143	10.0
110.06847	2.8
110.10461	5.7
111.08066	27.8
112.08395	12.9
113.09619	2.5
118.07330	2.6
119.08549	14.0
120.08912	15.8
121.10107	12.0
122.10458	12.1
123.08024	3.1
125.09557	3.8
129.07008	4.7
129.09120	4.4
130.07336	4.9
131.08551	4.1
132.08919	6.9
133.10097	25.4
134.10455	26.8
135.11697	8.8
136.12039	4.9
137.09596	3.6
139.11179	11.0
140.11523	9.5
145.10117	4.3
146.10469	2.9
147.11678	11.8
148.11972	20.1
149.09648	4.7
149.13248	16.0
150.09973	7.5
150.13577	22.4
151.11212	7.9
152.11517	10.6
157.10046	5.3
158.03253	2.2
158.10472	10.7
160.12024	3.4
161.16801	2.5
165.12773	6.6
166.13046	12.4
167.14346	2.9
168.14642	4.5
175.11218	3.6
176.11514	12.6
176.15021	3.1
186.13675	2.6
190.13107	4.7
222.15709	3.8
234.10413	6.2
235.07486	6.5
242.19872	7.6
250.09909	8.9
250.22502	3.2
260.20908	13.8
265.12183	28.4
278.21948	90.3
295.64398	2.4
296.16534	9.3
296.23019	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	297.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24047	2.3
55.01868	3.6
56.96557	26.9
57.03432	11.7
58.03777	2.2
60.95849	3.2
61.02920	11.3
66.69512	2.4
67.21992	2.0
69.03416	24.9
69.75695	4.4
69.76116	11.3
70.03775	2.3
71.01341	6.3
73.02904	17.0
81.03432	3.3
84.96034	5.8
85.02897	41.5
86.03226	6.9
91.03948	3.4
97.02893	23.0
98.03218	4.7
98.97575	78.9
99.04437	3.1
101.02348	2.5
108.87889	2.6
109.02914	3.7
110.97570	10.6
116.98610	81.3
116.99438	4.3
119.01851	11.2
121.01648	2.9
125.01795	4.3
127.03909	13.6
128.04283	2.8
128.98582	36.9
131.01894	4.5
134.02269	6.2
134.99643	65.3
137.02856	3.5
140.99629	2.9
141.98700	4.2
143.00163	7.6
143.01897	3.5
143.02853	5.4
143.52982	3.6
145.01740	3.0
145.03500	2.5
145.04973	6.8
146.99625	43.9
149.01241	3.8
149.02846	2.8
150.99146	4.2
153.00647	19.6
155.02837	4.1
157.98898	2.6
158.99629	36.5
160.00061	2.6
160.01405	3.2
160.89822	2.3
161.01231	14.2
161.02925	8.8
161.53018	4.4
162.99178	10.2
163.02704	5.8
165.00728	8.2
166.99417	9.1
168.99214	7.8
170.03430	7.6
170.53455	2.8
170.99667	17.8
171.01398	5.6
171.99733	6.2
173.01538	2.3
173.02980	8.6
175.01816	2.9
176.53717	4.0
177.00706	100.0
177.04193	3.4
178.01117	3.2
180.99109	5.1
183.99644	4.7
186.04565	3.1
189.00716	54.6
189.02351	3.5
189.99664	15.3
190.01149	3.6
191.02280	4.6
191.03923	6.4
191.98763	3.0
193.00229	3.4
195.01767	17.1
195.03299	2.7
196.02271	3.0
197.54048	3.0
198.05618	5.6
200.02365	6.3
200.04428	14.0
201.00739	6.2
202.02411	4.0
203.04036	3.0
205.00206	9.4
206.04419	13.0
206.54564	22.4
207.01767	27.0
207.06201	3.6
209.05003	2.6
209.98727	3.5
214.00739	4.6
215.04958	8.8
215.55096	30.4
216.05386	9.7
216.51018	3.5
217.00154	5.1
217.02904	2.9
219.01753	26.0
219.05275	2.9
224.55789	4.6
224.99219	4.4
226.00706	26.0
230.03419	3.6
231.01921	6.1
235.01227	4.1
237.02776	40.5
237.51558	3.5
239.01764	3.9
249.02866	9.1
250.03233	2.9
255.03946	44.9
257.02731	6.6
260.04425	3.0
261.02808	3.6
274.97641	5.4
279.03873	79.7
292.98441	4.7
297.04761	49.5
297.07874	5.7
299.06299	5.9
309.05154	2.8
315.00562	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	297.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
53.03936	1.0
55.01878	6.7
55.05496	0.9
56.96556	1.3
57.03417	1.0
59.62112	0.6
61.02924	1.0
61.95312	0.6
67.05504	3.7
68.67774	0.7
68.99794	0.8
69.03448	0.7
69.07083	1.6
69.80782	0.6
70.06573	0.6
71.60446	1.1
73.02918	4.2
77.02077	0.7
77.03921	2.8
79.05479	1.9
81.07036	2.4
83.01349	1.1
83.08619	0.9
85.02921	1.1
89.03918	1.5
89.54740	0.6
91.05779	2.5
93.07047	1.7
95.04958	7.4
95.08575	2.5
97.30135	0.6
99.08096	1.6
101.02390	6.6
101.39508	0.7
103.05436	0.8
105.03391	9.1
107.04960	6.5
109.02854	0.9
109.10160	1.2
111.04416	0.9
111.50629	0.8
117.03388	1.0
119.03415	3.0
119.08532	0.9
123.04418	46.0
124.04710	0.7
131.04890	1.0
133.02846	36.9
134.03600	2.8
135.04401	6.3
136.06187	0.7
137.02332	2.9
144.96907	0.6
146.75676	0.7
147.02884	2.3
147.04373	2.2
150.03125	0.8
151.03900	15.3
155.03363	1.1
161.02333	26.0
161.05959	1.3
163.03889	4.8
164.04236	1.2
178.61566	0.7
179.03387	100.0
180.03746	1.0
197.04533	1.6
227.02295	0.9
233.04375	1.2
235.10637	0.9
239.39191	0.7
251.05566	2.0
251.10030	0.7
255.01656	1.1
266.12540	2.1
266.99905	2.6
267.08524	2.4
269.06458	1.6
273.02814	1.9
279.04910	1.0
279.23135	1.2
283.03012	3.4
297.05896	7.7
297.09140	1.0
297.16898	0.9
299.06180	10.0
299.85623	0.8
313.80057	0.7
318.13641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03924	2.6
55.01857	4.2
55.05257	2.5
55.05507	39.8
57.03431	8.8
57.07068	16.9
59.04967	2.6
61.92028	1.6
62.06098	2.4
67.05494	58.1
69.03387	2.1
69.06715	2.6
69.07058	36.1
69.96973	6.0
69.97389	3.7
71.01338	5.9
71.04975	4.5
71.08618	17.5
79.05475	21.5
81.03427	2.5
81.07047	71.3
83.04955	3.3
83.08611	23.6
85.06529	5.6
91.05469	7.0
93.07027	24.1
95.04920	2.5
95.08595	60.0
97.06520	5.6
97.10164	30.4
98.20793	2.0
98.21327	1.8
99.08066	6.0
105.07014	7.2
107.08574	24.5
109.06470	3.5
109.10137	36.0
111.08062	3.3
111.11697	2.7
113.06000	3.2
113.09646	2.7
117.07001	3.1
119.08557	6.1
121.10120	17.6
123.08018	2.1
123.11678	12.7
125.09595	18.7
127.07560	2.0
131.08557	6.1
133.10109	5.8
135.08043	4.1
135.11671	20.4
137.13252	9.3
139.11147	2.2
141.12744	6.3
145.10086	5.0
147.11649	6.7
149.09590	2.9
149.13214	6.1
151.07423	2.0
151.14780	5.8
153.09091	2.6
153.12772	7.5
159.11681	3.8
161.13272	1.8
163.14825	3.4
169.15848	15.7
172.01224	1.7
173.11787	3.2
173.13248	5.7
175.14830	2.2
181.12210	2.2
181.15903	1.9
183.13783	100.0
184.13989	2.2
187.14844	3.9
189.11200	14.4
233.22647	3.4
235.10864	2.0
236.81248	1.9
238.51137	1.8
243.21103	6.4
251.10147	3.0
251.23679	24.8
261.22079	23.2
266.12592	7.3
279.23151	69.8
280.23541	3.3
297.16873	2.5
297.18521	1.8
297.24133	10.5
301.54935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2785
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
50.12575	0.4
55.01863	1.3
55.05506	16.2
56.96550	1.0
57.03432	1.1
57.07071	8.3
59.04993	5.1
67.05496	9.4
69.03421	1.5
69.07060	100.0
70.07399	0.5
70.30142	1.2
70.30537	1.0
71.04977	1.4
71.08625	2.8
79.05482	4.6
81.07047	25.5
83.04976	1.3
83.08610	20.8
85.06529	3.7
85.10146	1.1
91.05479	1.7
93.07037	10.9
95.04967	1.2
95.08594	25.6
97.06507	4.7
97.10152	7.3
98.20850	0.8
98.21427	0.5
99.08074	3.4
105.07024	2.0
107.08582	10.3
109.10143	16.9
111.08073	2.8
111.11710	15.4
113.09658	0.6
116.98594	0.7
117.06987	0.6
119.08557	1.4
121.10130	8.8
123.11685	8.7
125.09624	0.9
125.13265	1.2
127.11225	1.7
129.12746	1.0
131.08527	0.9
133.10110	1.0
134.99619	0.7
135.11694	5.4
136.06224	0.9
137.13249	4.9
139.11159	7.2
145.10107	1.0
146.10437	0.5
147.11639	0.8
149.13226	8.1
151.14793	2.0
153.12729	0.9
157.10086	0.7
157.12187	0.6
159.07996	0.6
159.11638	0.6
161.13220	0.8
163.14812	2.5
165.16364	1.8
167.14284	3.7
173.13184	0.5
177.16373	1.9
179.17929	1.0
191.17958	1.5
192.61707	0.5
195.08748	0.5
205.19516	1.8
209.18985	2.0
211.34593	0.5
223.20667	0.8
226.01672	0.5
251.10301	1.0
255.17459	0.6
261.25784	3.2
264.66510	0.6
265.08615	0.7
266.12491	1.6
279.23618	0.6
279.26776	9.8
283.03253	0.6
297.03815	0.9
297.07751	0.7
297.11398	1.3
297.27847	63.1
298.28204	1.2
299.06107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	10.9
68.52703	0.4
70.65652	1.4
70.66027	0.6
70.95870	0.5
71.95258	1.1
98.97573	66.2
106.20609	0.5
116.98607	72.7
119.01904	0.9
119.15402	0.4
130.93298	1.3
134.99643	48.6
137.02965	0.5
140.00165	1.8
142.03465	0.6
148.82602	0.5
153.00697	7.4
154.93387	0.6
158.01245	2.1
172.94347	2.4
174.00739	0.7
177.00948	2.2
182.99619	0.5
190.95367	4.7
192.98790	0.5
197.95091	0.5
208.96373	3.1
214.95416	1.0
216.98643	0.6
219.01956	5.1
220.02103	1.0
232.96408	8.4
234.99727	1.9
235.99771	0.8
250.97462	7.5
251.49286	1.3
251.99048	0.7
256.96387	11.3
261.03049	4.2
263.00079	1.0
263.02771	0.5
272.94220	0.5
274.97461	95.7
275.04404	2.1
275.97940	1.2
292.98508	100.0
293.98901	1.1
297.99161	3.3
298.97766	0.8
310.99512	1.1
315.99744	3.0
316.98770	0.5
319.70276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	14.3
57.03426	1.7
61.02927	0.8
67.24191	0.9
69.03425	2.8
69.99793	4.9
70.06585	1.1
71.15471	0.8
71.95274	1.5
85.02897	6.4
87.04489	1.0
90.61835	0.9
97.02896	3.3
98.21406	1.2
98.97570	66.1
99.04462	1.0
101.00896	0.8
101.06000	1.0
103.33999	0.8
109.74438	0.8
113.07920	0.8
115.02415	1.2
116.98605	70.8
118.06543	1.3
119.01885	2.0
127.03915	2.5
130.93349	1.1
133.03534	0.8
134.99644	44.9
136.05127	2.1
136.06158	28.0
140.00179	1.8
145.04898	1.0
153.00676	9.8
158.01236	2.2
161.02919	2.4
166.07242	3.7
172.94342	2.2
177.00778	1.1
177.80170	0.8
180.97874	1.1
188.07539	1.0
190.95296	5.5
193.10814	1.1
201.00917	1.1
207.10944	0.9
208.96448	3.2
213.02452	1.1
214.95261	1.5
232.96387	7.6
233.01442	1.9
234.99701	1.1
239.11360	2.6
250.97525	8.2
251.02480	6.2
256.96399	14.2
261.03040	1.4
274.97470	94.8
281.05774	1.0
281.70844	1.0
292.98523	100.0
293.03723	4.9
293.99088	1.3
294.98987	1.1
297.99048	3.7
298.07037	1.4
298.11469	3.7
310.99561	1.7
316.00128	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	298.0964
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01144	5.3
69.03410	0.3
71.23800	0.4
75.02697	2.2
80.24084	0.2
81.11525	0.2
82.56072	0.2
94.04034	0.3
97.02895	1.1
98.97572	0.3
103.02158	0.4
108.83884	0.2
119.03549	0.6
136.06171	100.0
137.04590	0.4
137.06516	0.7
145.03159	1.3
153.09222	0.2
163.04210	1.5
164.71364	0.2
182.04941	0.2
193.14140	0.2
195.02477	0.2
200.41693	0.2
210.03979	0.2
298.09668	5.0
298.12515	0.2
299.09952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41391	0.8
52.47518	0.9
53.15646	0.8
55.05507	1.9
56.03244	0.9
56.96550	1.7
57.07063	2.6
62.03080	0.9
69.03407	1.5
69.07056	1.4
70.96207	1.8
71.05006	1.0
71.08611	1.2
79.05492	2.8
81.07031	2.6
83.08611	1.9
85.02878	1.2
89.03899	6.1
91.05794	3.2
93.07014	1.3
95.04938	1.6
95.08601	3.1
95.67458	1.0
97.10155	1.4
107.04939	3.2
109.10194	1.1
117.03349	8.1
123.04424	4.9
135.04416	22.6
137.02344	1.0
139.03893	1.2
145.02826	11.0
147.04417	1.2
148.24594	1.0
153.05412	1.7
163.03886	100.0
164.04236	3.0
171.84317	1.0
225.04453	1.2
230.01419	1.2
252.97763	1.9
257.98410	1.2
266.99786	2.3
283.03091	3.3
299.06079	11.8
301.05975	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54873	1.1
53.42157	1.2
55.01859	1.7
57.07048	1.8
62.29359	1.2
65.88150	1.1
67.05484	1.1
69.07061	2.2
71.62889	1.3
79.05484	1.3
81.07032	1.5
84.51502	1.1
85.02897	3.0
85.06549	1.1
86.09689	1.9
87.32859	1.2
89.03907	6.7
91.05481	1.2
95.04934	1.5
95.08596	1.6
97.47546	0.9
103.99303	1.2
105.07032	1.9
107.04947	3.2
117.02122	1.2
117.03351	7.5
120.08096	1.4
133.10130	1.5
135.04398	21.4
136.06110	1.5
137.02423	1.8
137.05923	2.1
145.02831	13.7
163.03891	100.0
164.04240	1.8
167.03404	2.9
180.91344	1.2
183.08038	2.8
199.78285	1.0
203.03455	2.6
233.04446	1.2
243.15126	1.1
245.04391	1.6
251.03203	1.1
253.08545	2.0
257.08044	2.1
267.17062	1.1
271.05963	1.3
281.06424	1.7
283.03134	1.2
299.05786	10.2
299.10040	2.4
299.13181	2.0
322.20694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01865	5.1
55.05508	29.8
56.96559	3.2
57.03415	6.4
57.07044	9.1
60.06705	2.8
65.03916	4.4
67.05161	4.9
67.05495	65.1
67.49058	2.8
68.08142	2.7
69.07050	22.9
71.04971	9.0
71.63509	4.8
79.05486	89.5
81.03384	9.6
81.07043	58.8
83.04976	19.7
83.08624	16.8
85.02873	4.4
91.05469	71.4
93.07034	98.2
95.04964	27.8
95.08595	38.9
97.06522	8.1
97.10165	7.9
99.08045	3.7
105.07018	56.8
107.04951	7.8
107.08573	20.1
109.06501	9.7
109.10126	11.3
111.08081	5.8
115.77285	3.1
116.98572	4.7
117.06999	10.7
119.08572	32.1
121.06471	3.7
121.10138	10.6
123.08034	9.4
123.11636	3.7
129.06987	26.0
131.08525	4.6
133.06450	3.0
133.10123	17.0
135.11644	5.2
139.03882	6.7
143.08531	11.7
145.06482	3.8
145.10118	18.4
147.08052	4.6
147.11667	57.7
153.09163	3.1
161.05980	8.2
161.09596	9.1
161.13271	17.6
171.11655	43.9
175.07491	6.6
189.11267	3.0
189.12747	18.3
207.13785	37.9
211.07645	4.1
224.08278	3.7
239.06784	3.3
267.10162	12.5
281.17438	100.0
299.05746	6.6
299.09207	14.0
299.12759	12.0
299.16486	2.6
299.19992	14.5
299.23648	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	300.024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.9
65.19270	1.2
66.38936	1.4
70.31712	5.6
76.57481	1.1
78.20663	1.3
90.76549	1.2
98.97578	79.3
100.97153	1.3
109.66386	1.1
116.98615	75.6
133.07292	1.2
134.99654	39.9
140.00151	1.7
153.00687	7.2
158.01237	1.7
164.99519	1.3
176.99455	1.6
177.00952	3.1
183.97466	1.2
186.00038	1.9
212.92276	1.7
219.02010	13.7
220.02046	7.0
221.01787	4.0
230.93280	2.6
240.98843	4.0
254.93378	2.9
258.02930	2.0
258.99753	41.1
259.99994	1.8
263.02869	2.5
272.94400	14.5
276.97812	4.1
277.00797	100.0
278.00961	6.0
282.01181	1.8
288.92191	3.4
290.95529	11.8
294.98560	3.5
299.97934	2.7
300.02155	2.7
300.09943	5.4
301.01480	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	300.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	5.4
57.03442	1.9
59.04996	43.9
61.02920	3.2
63.05835	1.3
63.50859	1.4
67.05498	2.2
69.03418	5.2
70.06578	2.8
71.63255	2.6
73.02899	2.8
73.06533	1.6
79.91444	1.5
81.03384	1.8
84.08127	2.5
85.02895	18.0
87.04453	1.7
88.02213	16.3
89.06025	18.0
95.01354	1.8
95.04938	1.4
97.02890	6.8
98.97575	4.0
99.04443	2.0
103.07579	13.7
107.04904	1.5
108.20187	1.5
109.02859	2.7
114.05489	3.6
116.98630	2.8
119.01879	2.1
119.04931	1.9
120.08082	1.9
121.08606	100.0
123.04401	2.3
124.50654	1.5
127.03914	3.7
134.02739	12.4
134.99663	3.1
136.06190	2.1
137.05971	3.0
138.05475	4.0
138.09119	5.8
139.03911	5.8
145.04919	1.8
147.04427	2.7
152.07048	1.6
161.01247	1.6
161.02892	1.7
163.03893	5.8
164.04190	3.1
166.07236	3.6
167.07057	4.4
183.06000	1.6
202.07025	1.8
219.01720	2.0
226.62753	1.4
237.02696	2.2
253.50803	2.0
289.45508	1.6
300.05954	1.9
300.14508	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	301.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.2
69.03445	0.6
70.06573	0.7
70.28674	2.1
72.08119	0.5
75.92958	0.5
78.56081	0.5
79.05475	0.6
81.07066	0.6
81.09483	0.5
82.40168	0.4
85.02866	1.4
85.07637	1.5
91.05456	0.7
95.04922	1.0
97.02824	0.5
99.04441	0.6
111.22641	0.5
119.04943	0.7
120.07202	0.4
123.85506	0.5
125.07092	0.5
133.10106	0.8
134.99661	0.6
135.04375	0.8
137.49667	0.5
139.03923	4.0
139.07300	0.6
139.08658	0.8
147.04369	1.5
161.02930	0.6
163.03918	1.6
171.07680	0.7
179.03316	0.5
195.90454	0.5
203.03708	0.7
221.03035	0.5
221.05115	1.0
269.05438	0.6
283.05777	0.6
301.12531	100.0
301.17932	2.6
302.12888	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	301.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
56.96560	1.3
62.26732	0.5
67.05498	0.7
68.99804	0.7
69.07036	0.7
70.06573	2.3
71.60549	0.5
72.08140	1.1
73.18523	0.6
74.70226	0.6
79.05478	0.7
84.04532	0.6
84.08133	1.1
85.02892	1.7
85.07656	1.6
86.09694	1.4
91.05450	1.2
95.04947	1.0
97.02926	0.8
98.97563	0.8
107.04929	0.8
109.10160	0.6
111.04465	0.7
115.14592	0.5
119.04938	1.5
123.04411	1.1
133.06558	0.6
135.04404	3.2
137.06035	0.8
139.02904	1.0
139.03902	13.1
140.07047	1.8
147.04414	5.0
148.04732	1.0
149.05960	0.9
151.03911	1.3
153.06961	0.7
161.05949	0.8
163.03912	2.9
165.00812	0.6
166.04938	0.7
173.13243	0.7
177.05444	1.2
181.05035	0.9
182.08130	1.2
203.07129	0.5
239.02357	0.7
245.04512	0.8
255.06461	1.3
283.05948	2.1
283.10663	1.0
284.06262	0.7
301.06921	3.3
301.12555	100.0
302.12955	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	301.2157
Annotation	20,14-retro-retinoic acid
Peak:m/z	Relative Intensity
55.05492	6.7
57.07071	10.3
58.08507	1.9
59.04971	3.2
67.05489	13.2
67.89944	2.0
69.03417	2.8
69.07060	11.0
69.07429	1.6
69.29329	16.5
69.29751	6.1
70.06590	10.0
71.04991	3.2
71.08591	3.0
79.05480	16.0
81.07043	19.7
83.08632	2.6
85.06541	3.1
85.10135	1.9
88.07619	13.6
91.05473	18.2
93.07037	25.8
95.04955	13.8
95.08607	17.3
97.06515	6.1
98.20831	6.7
98.21510	3.7
102.09172	3.8
103.05403	2.4
105.06357	3.8
105.07015	38.3
106.08681	10.6
107.08588	29.7
109.06502	29.8
109.10139	21.7
111.08061	5.3
117.07028	9.4
119.08563	41.3
121.06481	8.1
121.10136	19.4
123.08059	3.2
123.11662	2.4
129.06967	4.8
130.07767	2.9
131.08548	47.7
133.10117	36.3
135.08020	19.6
135.11694	8.9
137.09602	3.5
142.07741	5.0
143.08571	16.4
144.09344	4.9
145.10097	44.2
146.07216	3.7
147.08076	2.7
147.11676	10.9
149.13232	4.6
155.08484	3.7
156.09331	2.8
157.10094	11.3
158.10861	10.2
159.07994	4.2
159.11688	11.9
161.09599	51.6
161.13202	3.1
163.11163	4.2
169.10172	2.7
171.11623	10.1
173.13245	83.5
174.13666	2.1
175.11182	3.6
175.14812	6.0
179.08525	3.2
181.10127	2.5
183.11711	4.8
185.09633	2.1
185.13237	6.8
189.12772	2.5
191.14282	16.3
194.11061	2.7
195.11707	5.6
199.14812	5.2
201.16341	4.2
203.14314	2.4
208.12468	2.1
209.13235	8.4
213.16479	2.8
223.14696	4.2
227.14250	3.4
255.21085	2.4
265.19489	5.5
283.20477	8.7
284.29346	7.9
301.21646	13.6
302.30505	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2158
Annotation	9-cis-Retinoic acid
Peak:m/z	Relative Intensity
51.83537	2.7
53.03941	2.8
55.05505	8.6
57.07069	11.9
60.05032	2.7
67.05507	19.8
69.07059	12.0
69.37161	33.0
70.06568	5.4
71.04959	4.0
79.05489	16.2
79.42874	2.7
80.59974	2.8
81.07041	29.4
81.08834	2.7
83.04984	3.0
83.08620	5.5
85.06540	3.8
88.07642	4.8
91.05471	23.4
93.07043	31.6
95.04955	16.4
95.08582	33.0
95.09089	3.5
97.06536	9.5
98.21109	13.8
102.09148	4.6
105.07015	61.0
106.08652	5.1
107.08584	44.3
109.06512	44.0
109.10153	25.8
111.08084	7.1
117.07038	15.8
118.74680	2.8
119.08563	58.7
121.06493	10.1
121.10132	26.9
123.08048	6.2
123.11731	4.7
128.06247	4.6
129.07013	10.6
130.07793	4.1
131.08559	65.0
133.10121	42.6
135.08038	26.7
135.11714	11.9
137.09540	3.9
142.07759	4.7
143.08524	20.3
144.09279	8.6
145.10117	57.1
146.07242	9.3
147.11676	20.2
149.09619	4.6
149.13274	9.4
155.08562	3.4
156.09344	5.9
157.10162	19.7
158.10886	12.7
159.07957	3.8
159.11662	19.9
161.09596	71.2
163.11118	4.0
169.10158	4.2
170.28552	3.0
171.11691	11.7
173.13240	100.0
174.13620	5.7
174.24408	3.4
175.14838	13.7
181.10139	4.9
183.11668	5.0
185.13249	13.7
187.14902	5.2
189.12798	4.7
191.14275	28.1
194.10872	4.2
195.11679	5.3
199.14844	9.7
201.12752	5.2
201.16376	5.8
208.12451	3.8
209.13264	14.4
213.16350	3.2
223.14763	7.8
227.14381	6.0
237.16228	3.1
243.44974	2.9
255.21097	12.1
265.19528	10.4
283.20508	11.6
284.29480	5.0
301.03210	3.4
301.18100	4.8
301.21533	29.0
301.24759	5.1
302.30493	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	302.0869
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03946	0.4
55.01865	0.5
56.96565	2.5
57.03419	0.8
59.32698	0.2
60.04543	0.2
61.02926	1.8
61.10812	0.2
67.05501	0.3
69.03430	3.5
70.06584	0.7
70.33874	0.5
70.34264	0.7
71.04984	0.6
72.08123	0.3
73.02917	1.0
74.97578	0.3
78.03439	0.6
78.71749	0.2
79.05483	0.3
81.03423	1.5
83.04971	0.2
84.08148	0.5
85.02898	9.7
86.09659	0.3
87.04463	0.5
89.03904	1.2
91.03954	0.7
91.05473	0.5
95.04960	0.3
97.02882	3.8
98.96993	0.4
98.97579	4.2
99.04441	0.6
105.07024	0.3
107.04927	0.4
109.02879	1.2
110.06000	0.2
110.07164	0.5
116.98621	3.8
117.03384	1.0
119.01926	0.3
119.04945	0.6
122.02326	0.4
122.06004	0.8
123.04497	0.3
127.03922	2.4
128.98586	0.4
134.06001	0.9
134.99655	3.2
135.04430	1.9
136.04755	0.5
139.03857	0.3
140.03419	100.0
141.03760	1.4
145.01822	0.3
145.02852	0.9
145.04962	1.6
146.03157	0.3
146.99635	0.8
147.04402	0.9
151.03792	0.3
152.07043	1.9
153.00697	0.5
158.99635	2.2
161.01216	0.3
161.02975	0.6
162.99057	0.3
163.02692	0.3
163.03908	7.3
164.04221	2.2
164.07042	0.4
165.04324	0.3
174.04495	0.3
177.00714	4.6
178.01108	0.4
181.00085	0.3
186.04343	0.4
191.02141	0.3
195.01717	0.6
197.01242	0.3
200.02182	0.4
201.00789	0.3
203.02318	0.5
204.05473	0.5
204.26727	0.2
213.06033	0.2
219.01741	1.7
221.03252	0.5
221.05104	0.4
237.02863	0.9
253.07451	0.3
273.08981	0.7
279.03345	0.4
297.06473	0.8
302.08749	3.4
302.12018	1.3
303.04938	0.9
303.07742	0.7
303.10846	1.6
305.05475	0.3
321.04672	0.3
321.08441	0.5
322.08990	0.4
323.06354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01838	1.3
55.55319	0.8
56.96552	1.9
57.03415	2.5
61.02907	1.5
65.03915	2.4
67.05497	27.6
69.03064	1.4
69.03418	15.2
69.07059	14.6
70.06578	2.1
71.04961	1.7
71.60826	1.4
72.08128	1.2
73.02897	2.5
74.06028	1.0
81.03394	6.9
82.22757	0.8
84.04480	2.3
84.08111	2.3
85.02895	40.1
85.07668	0.9
86.09686	3.6
91.03922	1.2
91.26733	1.0
93.07059	1.3
94.06555	1.7
95.04961	44.8
95.08562	1.2
97.02274	1.8
97.02879	35.3
98.97563	1.1
99.04468	1.0
103.03929	4.6
108.08064	0.9
109.02871	6.3
111.04480	1.0
112.06811	2.1
112.07590	34.5
113.06010	4.8
122.06008	2.3
123.04443	2.3
124.07565	3.1
127.03915	8.1
131.04912	1.3
136.07558	2.9
137.02333	1.5
137.05957	1.2
139.03857	2.7
140.07047	100.0
141.07358	1.9
145.04924	3.6
147.04378	1.6
151.03893	1.1
152.07013	1.2
153.01808	2.3
154.08633	5.8
155.04951	1.0
159.06526	2.3
163.03838	1.1
164.07004	1.3
170.08116	1.1
178.08655	2.8
181.09744	1.8
182.08104	54.1
183.08537	2.3
206.08115	10.7
211.07980	0.9
218.08237	1.3
236.09183	2.6
245.46774	0.9
248.09116	8.3
257.04391	1.7
284.11362	1.5
291.50729	1.2
302.07217	1.7
302.12732	4.5
303.04965	22.3
303.14108	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	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01873	1.2
57.03427	2.1
61.02906	2.5
67.05506	3.7
68.99783	2.1
69.03414	6.7
69.07085	0.7
69.53209	6.8
72.08140	1.4
73.02905	1.7
79.05453	2.3
81.03412	4.6
81.07044	2.5
85.02895	42.9
86.02401	0.8
86.09667	1.1
91.05478	1.0
93.05803	0.9
94.06570	1.0
95.04948	2.9
96.04506	0.8
97.02273	1.4
97.02880	22.3
97.06533	1.0
99.04397	1.6
103.03889	3.2
108.08106	5.7
109.02863	6.0
109.06525	1.0
111.00784	1.2
121.02859	2.2
122.05981	3.9
123.04465	1.1
125.05951	3.3
126.05492	3.3
126.09120	2.4
127.03902	10.8
133.05351	0.8
136.07567	8.7
137.02310	7.2
140.07051	25.4
145.04930	8.7
150.09091	1.7
152.07039	9.0
153.01811	8.8
154.08598	3.3
155.04922	1.0
161.05902	0.7
163.03889	0.9
163.06004	1.2
164.05820	1.1
164.07065	10.9
165.01852	3.0
165.07260	0.8
173.05937	1.2
178.08633	8.9
182.08112	49.3
183.02888	1.0
183.08543	1.4
201.05438	3.2
206.06248	1.5
206.08104	19.6
218.08142	2.2
228.04114	1.2
229.04962	8.4
236.09148	3.2
247.06052	1.2
248.09143	5.9
257.04532	4.5
274.04462	1.3
285.03946	2.0
302.03949	1.4
303.04965	100.0
318.44412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01853	1.0
56.96577	0.7
57.03418	2.3
60.55714	0.5
61.02921	2.9
65.03921	1.3
67.05496	25.1
69.03419	15.3
69.06713	0.8
69.07059	10.6
70.06572	1.4
70.07401	0.5
71.04990	0.9
71.43304	1.1
73.02904	1.5
78.76272	0.6
79.05521	0.7
81.03394	5.0
81.07055	0.9
84.08126	1.4
85.02895	34.5
86.02410	0.9
86.09692	3.2
91.03918	0.9
93.98930	0.6
94.06544	1.1
95.04958	41.4
96.04510	0.5
96.05256	0.9
96.08129	0.6
97.02880	32.3
99.04440	1.7
103.03931	3.9
108.08070	0.7
109.02882	5.4
112.07594	31.1
113.05994	3.8
115.03809	0.5
122.06029	1.5
123.04404	2.2
124.07566	2.7
127.03904	8.2
136.07568	2.7
137.05963	1.0
139.03914	0.9
140.07048	100.0
141.07393	1.9
142.14940	0.5
145.04933	3.9
147.04408	1.1
151.03923	0.9
152.06976	0.9
153.01866	0.7
154.08611	6.1
164.07053	0.9
170.08107	0.9
178.08615	3.1
181.09700	0.9
182.08112	60.8
183.08466	1.4
183.59641	0.5
201.05322	0.6
206.08110	13.1
206.20345	0.6
218.08180	1.6
229.04910	1.0
236.09149	2.1
248.09120	8.0
261.24130	0.6
284.11362	1.2
302.12738	6.2
303.04947	10.1
303.08420	1.0
303.14224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.9
58.79949	0.2
61.42657	0.2
70.30662	0.2
71.60313	0.3
95.96028	0.2
98.97575	2.8
99.97914	0.3
101.00871	0.5
102.96898	0.4
116.98605	3.7
117.98897	0.3
118.98194	0.3
119.01904	4.6
120.01987	0.5
120.97851	0.3
134.99648	3.8
135.99988	0.4
137.02927	2.8
138.98944	0.3
153.00745	1.4
158.99872	0.4
176.02316	0.2
177.00935	11.4
178.01073	2.0
179.00726	0.7
180.00746	0.2
182.99814	0.5
193.04012	0.2
195.01897	0.4
200.02487	0.3
201.00935	0.9
217.04036	2.1
218.03651	1.1
219.01987	20.1
220.02089	4.1
221.01746	2.4
222.01857	1.2
225.00890	2.1
225.02856	0.3
226.01053	0.3
235.99942	0.3
236.99500	0.3
237.03125	0.2
242.03592	0.6
243.01933	5.7
243.04184	0.3
243.38892	0.2
244.02155	1.5
251.76561	0.2
256.96613	0.3
260.04611	0.3
261.03024	100.0
262.03156	21.3
263.02863	2.5
266.03647	0.4
275.04535	0.2
277.00751	0.5
278.01083	0.4
278.62863	0.2
278.97232	0.3
279.00485	4.3
279.03281	0.3
279.97992	0.4
280.00601	1.6
280.10721	0.2
280.99988	0.4
284.04623	6.0
284.99817	1.2
285.04700	2.2
297.98331	0.4
301.00940	0.5
302.01923	0.3
302.97363	0.4
303.00827	2.6
303.05383	7.2
303.09631	0.4
303.10645	0.3
304.00845	0.4
304.05615	0.4
320.98654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03948	0.1
55.01862	0.3
61.02912	0.1
65.03921	0.4
67.01844	0.4
67.05473	0.3
68.99422	0.2
68.99777	2.0
69.03407	0.2
70.14916	0.4
71.01313	0.1
72.08145	0.2
74.09666	0.1
74.52672	0.1
81.03422	0.7
81.07036	0.2
85.02891	0.9
86.03229	0.3
91.05480	0.2
93.03405	0.6
95.04951	0.8
97.02867	0.4
98.03189	0.2
98.20815	0.1
98.21368	0.2
103.05443	0.1
105.03382	0.1
107.01306	0.1
107.04941	0.3
109.02859	1.2
110.03710	0.1
111.00784	1.9
111.04434	0.2
115.05436	0.2
117.07011	0.4
119.04903	0.1
121.02854	1.9
123.04417	0.9
126.05447	0.1
127.03897	0.8
128.04218	0.1
129.06990	0.2
131.04898	0.3
133.02846	0.2
133.06467	0.2
135.04417	0.5
135.05313	0.1
136.07539	0.1
137.02324	8.4
137.03355	0.4
137.07863	0.2
140.07030	0.3
141.07379	0.3
143.04924	0.1
144.13803	0.2
145.06497	0.7
147.04388	0.2
149.02322	0.8
151.03873	0.2
153.01805	9.6
153.07434	0.2
153.82307	0.1
154.02173	0.2
155.04883	1.0
157.06490	0.1
159.04391	0.2
161.05937	0.7
163.03883	1.3
165.01811	3.9
166.02617	0.5
167.03378	0.1
171.02895	0.2
173.05962	1.4
177.01982	0.1
177.05537	0.2
179.03339	0.3
179.08904	0.2
182.08090	0.3
183.02847	1.4
183.04408	0.9
183.08389	0.8
184.04929	0.1
185.05974	0.2
187.03850	0.8
191.03357	0.3
191.07115	0.1
195.02873	0.5
200.04657	0.1
201.05437	3.6
205.04878	0.3
207.02892	0.3
207.08443	0.3
211.03906	0.4
213.05510	0.2
215.03346	0.2
217.05112	0.1
219.02931	0.3
219.06416	0.5
219.08260	0.1
228.04231	0.5
229.04927	8.7
230.05272	0.4
232.03775	0.1
239.03438	0.2
247.05949	1.2
249.09558	0.2
257.04413	4.9
258.04849	0.3
261.04010	0.1
274.04694	1.6
275.05374	0.4
285.03906	2.3
285.12161	0.1
286.04446	0.2
303.04944	100.0
304.05301	4.6
312.65631	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.01856	0.3
65.03927	0.5
67.01845	0.4
67.05488	0.2
68.99428	0.1
68.99783	1.6
69.03407	0.1
69.82980	0.4
72.99760	0.1
81.03412	0.5
93.03378	0.5
95.04947	0.7
97.02883	0.1
98.21210	0.2
105.03378	0.2
107.04967	0.1
109.02866	0.9
110.03624	0.1
111.00785	1.6
111.04406	0.2
114.97380	0.1
117.06993	0.3
121.02850	1.7
122.72620	0.1
123.04396	0.5
127.03902	0.4
131.04903	0.2
133.02818	0.1
133.06438	0.1
135.04428	0.4
137.02321	6.2
137.03322	0.3
138.02640	0.1
143.04865	0.1
145.06442	0.6
147.04311	0.1
149.02357	0.7
151.03880	0.1
153.01805	8.4
154.02148	0.2
155.04893	0.8
155.06032	0.2
157.06458	0.1
159.04390	0.2
161.05974	0.5
163.03897	1.2
164.51813	0.1
165.01817	3.6
166.02617	0.5
173.02257	0.1
173.05968	1.1
174.06299	0.1
177.01817	0.2
177.05417	0.2
179.03366	0.4
183.02864	1.4
183.04416	0.7
185.05930	0.1
187.03868	0.7
191.03374	0.4
191.06978	0.2
195.02890	0.4
201.05441	3.7
205.01106	0.1
205.04961	0.4
207.02821	0.2
211.03908	0.4
213.05508	0.3
215.03374	0.2
219.02875	0.2
219.06520	0.4
228.04138	0.5
229.04930	8.1
230.05313	0.3
232.03656	0.1
233.04486	0.2
239.03346	0.4
245.04506	0.1
246.05194	0.2
247.05956	1.2
257.04419	4.4
258.05008	0.3
274.04703	1.5
275.05426	0.3
285.03940	2.3
286.04471	0.1
303.04947	100.0
304.05295	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.98040	0.1
55.01862	0.5
58.83324	0.1
59.25120	0.1
59.68095	0.1
61.67781	0.1
65.03921	0.5
67.01846	0.4
67.05499	0.2
68.99475	0.2
68.99786	1.8
69.03407	0.2
70.41953	0.4
81.03400	0.5
93.03384	0.5
95.04969	0.8
96.60337	0.1
105.03378	0.2
107.04930	0.2
109.02869	1.1
111.00780	1.9
115.05471	0.1
117.07004	0.3
121.02851	1.7
123.04429	0.7
127.03884	0.5
128.06232	0.2
131.04855	0.2
135.04369	0.4
137.02321	6.9
137.03348	0.3
145.02866	0.1
145.06505	0.7
149.02316	1.0
153.01810	8.8
155.04955	0.7
157.06497	0.2
161.05948	0.5
163.03902	1.2
165.01828	3.8
166.02612	0.7
171.02911	0.2
173.05940	1.3
177.05464	0.3
179.03366	0.3
183.02855	1.7
183.04404	0.9
183.57988	0.1
187.03880	0.7
191.03452	0.2
191.07004	0.2
195.02887	0.4
201.05432	4.3
205.04951	0.4
207.02866	0.2
211.03914	0.4
213.05438	0.3
215.03297	0.2
217.04846	0.3
219.02876	0.3
219.06558	0.6
228.04164	0.6
229.04936	10.1
232.03783	0.2
233.04390	0.1
239.03439	0.2
243.02792	0.1
246.04997	0.2
247.06046	1.3
257.04422	5.0
258.05099	0.2
274.04712	1.5
275.05505	0.3
285.03922	2.4
303.04950	100.0
304.05249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03941	0.2
55.01854	0.3
55.05495	0.2
55.90394	0.1
65.03930	0.6
67.01854	0.2
67.05482	0.3
68.59569	0.2
68.99785	1.6
69.49433	1.3
74.81319	0.2
81.03400	0.4
81.07033	0.4
84.83493	0.2
86.54439	0.1
91.05477	0.3
93.03381	0.6
93.07014	0.3
95.04948	1.0
98.21309	0.5
105.03427	0.2
105.07036	0.3
109.02856	0.9
111.00799	1.6
111.04413	0.2
111.98556	0.2
115.05437	0.2
117.06996	0.2
119.04904	0.2
119.08542	0.3
119.86158	0.1
121.02869	1.9
121.10088	0.3
123.04404	0.6
127.03894	0.4
131.04900	0.4
135.04376	0.6
137.02324	6.4
137.03320	0.3
137.05945	1.0
138.05502	0.5
138.09193	0.2
139.59717	0.2
145.06459	0.6
149.02327	0.7
149.05933	0.2
151.03864	0.4
153.01810	8.7
155.04877	0.7
157.06548	0.3
161.05980	0.6
163.03859	1.2
163.59486	0.1
165.01825	3.5
165.03217	0.2
166.02588	0.4
166.05013	0.7
169.08693	0.1
173.05957	1.5
177.05426	0.2
179.03342	0.2
183.02855	1.1
183.04433	0.7
187.03905	0.6
191.03439	0.3
191.06914	0.2
195.02844	0.3
200.04715	0.2
201.05435	3.8
201.74678	0.1
202.05798	0.2
205.04941	0.5
207.02980	0.2
211.03769	0.2
211.07504	0.2
213.05493	0.2
219.02870	0.3
219.06564	0.5
228.04179	0.3
229.04939	7.6
239.03461	0.3
246.05211	0.2
247.06029	1.1
257.04425	4.1
257.12842	0.2
258.05197	0.2
272.11603	0.3
274.04779	0.8
274.09482	0.2
275.05487	0.4
285.03928	1.7
285.12387	0.5
286.04373	0.2
303.04953	100.0
303.13272	2.4
304.05270	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	303.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.2
65.03919	0.6
67.01839	0.3
67.05471	0.1
68.99773	1.7
71.07994	0.4
81.03394	0.6
82.63225	0.1
84.81388	0.1
84.99490	0.2
93.03384	0.4
95.04950	0.6
105.07014	0.2
107.04937	0.2
109.02860	0.7
111.00780	1.8
117.07017	0.2
121.02843	1.9
122.17304	0.1
123.04397	0.5
127.03912	0.3
131.04886	0.4
135.04391	0.5
137.02322	7.0
137.03365	0.5
138.02716	0.2
145.02965	0.2
145.06488	0.7
149.02307	0.6
153.01808	8.9
154.02037	0.2
155.04889	0.8
156.51152	0.2
159.04340	0.2
161.02234	0.1
161.05937	0.4
163.03888	1.1
165.01811	3.4
166.02533	0.7
173.05954	1.0
177.05528	0.2
179.03426	0.3
183.02835	1.7
183.04407	0.7
187.03900	0.8
191.03358	0.4
191.07077	0.2
195.02827	0.4
201.05424	3.9
205.04973	0.3
207.02890	0.2
211.03862	0.3
215.03352	0.2
219.02991	0.2
219.06561	0.4
228.04156	0.4
229.04912	8.1
230.05316	0.2
232.03670	0.2
239.03471	0.2
247.05977	1.4
257.01733	0.3
257.04407	5.0
258.04663	0.1
274.04666	1.3
275.05359	0.3
285.03909	2.1
286.04037	0.1
303.04935	100.0
304.05258	2.9
321.87930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03923	0.1
55.01855	0.2
62.86111	0.1
65.03918	0.6
66.82666	0.1
66.93769	0.1
67.01843	0.3
68.99422	0.2
68.99776	1.9
69.27583	1.0
69.27990	0.2
81.03404	0.5
93.03403	0.5
95.04969	0.6
103.05415	0.1
105.03367	0.2
106.04252	0.1
107.04925	0.3
109.02856	1.1
110.03652	0.1
111.00781	1.5
111.04417	0.2
117.06986	0.3
119.04877	0.1
121.02839	1.8
123.04398	0.6
127.03890	0.4
129.06927	0.1
131.04836	0.2
133.06416	0.1
135.04387	0.4
137.02315	6.7
137.03358	0.3
138.02753	0.1
141.06763	0.1
145.02782	0.2
145.06454	0.8
149.02277	0.7
151.03932	0.1
153.01801	8.9
155.04865	0.9
155.05948	0.2
157.06462	0.1
159.04372	0.2
161.05975	0.5
163.03897	1.2
165.01801	3.3
166.02637	0.5
171.02986	0.1
173.02429	0.1
173.05942	1.1
177.01784	0.1
177.05424	0.2
179.03387	0.4
183.02843	1.2
183.04384	0.7
187.03880	1.0
189.05420	0.1
191.03369	0.4
191.07089	0.2
195.02844	0.4
201.05429	4.1
205.04932	0.5
207.02852	0.2
207.86928	0.1
211.03871	0.3
213.05426	0.2
215.03302	0.1
219.02875	0.3
219.06502	0.5
228.04210	0.6
229.04921	8.7
232.03825	0.2
239.03357	0.4
245.04457	0.2
246.05263	0.2
247.05951	1.0
247.08179	0.2
257.04391	4.5
267.02823	0.1
274.04697	1.2
275.05389	0.1
285.03888	2.2
303.04932	100.0
304.05273	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	303.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.8
57.03439	2.3
57.07061	6.0
61.02921	3.2
64.59729	1.9
67.05485	4.9
69.03412	7.7
69.87090	11.4
73.02908	3.7
74.81713	1.6
74.97629	1.7
81.03425	4.0
82.64047	1.6
83.04987	1.9
83.06121	2.0
85.02897	13.4
85.06507	1.7
97.02879	8.8
98.20780	2.3
98.97575	97.9
109.02898	5.8
110.07150	17.6
110.97583	1.8
116.98608	87.9
119.01878	2.3
123.04461	3.8
127.03925	5.0
128.98563	4.2
134.99646	46.1
135.04298	2.6
137.05966	2.2
138.06567	1.9
140.00192	3.8
140.03391	5.5
141.03763	4.7
141.05232	10.1
145.04947	3.5
146.99641	3.3
153.00708	5.8
155.01822	1.7
156.07713	2.0
158.01256	4.6
158.99643	44.7
161.03036	3.6
161.04655	5.0
162.98906	2.4
163.03906	6.3
174.04344	1.7
177.00697	100.0
177.04361	3.2
185.04326	3.3
189.00754	2.8
195.01759	11.5
200.02307	8.9
204.05519	2.0
219.01755	26.8
221.05095	3.1
233.06619	2.4
237.02730	12.6
243.05190	2.1
255.03918	2.9
263.21445	1.9
281.10971	1.7
303.04810	7.9
303.10812	58.3
321.08313	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	303.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
53.47091	0.1
55.01858	0.4
59.89259	0.1
65.03922	0.7
66.30048	0.1
67.01852	0.3
67.05489	0.3
68.99782	1.8
69.03414	0.1
71.63420	0.2
79.05479	0.1
81.03401	0.5
81.07050	0.1
91.05441	0.2
93.03393	0.8
95.04967	0.8
98.97580	0.1
103.05446	0.1
105.03407	0.2
105.07004	0.2
107.01263	0.2
107.04929	0.2
109.02856	1.2
111.00778	1.6
111.04441	0.1
115.05447	0.2
117.06989	0.3
119.04932	0.1
121.02847	2.2
122.03652	0.2
123.04398	0.7
127.03885	0.3
128.06165	0.1
131.04929	0.5
135.04410	0.6
137.02322	7.2
137.03329	0.3
137.05948	4.7
138.02667	0.2
138.06293	0.2
145.02803	0.1
145.06483	0.7
147.04382	0.1
149.02336	0.8
149.05957	0.1
151.03877	0.2
151.07567	0.1
153.01801	9.6
154.02113	0.3
155.04881	0.9
157.06430	0.1
159.04405	0.3
161.05957	0.7
163.03883	1.3
165.01811	3.6
166.02620	0.5
170.88716	0.1
171.02904	0.2
173.02414	0.1
173.05988	1.3
177.01799	0.1
177.05457	0.2
179.03349	0.4
183.02856	1.4
183.04391	0.9
187.03908	0.9
191.03340	0.4
191.07002	0.1
195.02826	0.4
201.05431	4.2
202.05760	0.2
202.67665	0.1
203.03333	0.1
205.04982	0.4
207.02927	0.2
211.03886	0.3
213.05553	0.3
215.03351	0.2
219.02908	0.3
219.06479	0.4
228.04175	0.5
229.04927	8.6
230.05374	0.6
232.03706	0.2
233.04504	0.1
239.03426	0.4
243.02820	0.1
245.04428	0.2
246.05296	0.1
247.05963	1.1
257.04398	4.8
258.04883	0.4
271.09665	0.1
274.04727	1.2
275.05258	0.4
285.03925	1.9
285.12100	0.1
286.04535	0.3
303.04941	100.0
304.05286	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	304.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.96556	40.1
62.90231	0.3
63.42208	0.3
67.05489	0.4
69.07049	0.4
70.06576	0.4
71.62016	0.4
71.95264	2.4
72.96018	0.6
74.97622	1.3
79.05481	0.5
81.07052	0.8
83.86592	0.3
84.96003	0.6
88.07616	0.5
89.51662	0.3
92.98627	1.0
95.08603	0.6
96.08971	0.3
96.96565	0.3
97.96858	0.4
97.99203	0.5
105.00167	0.4
105.07061	0.7
107.08527	0.5
109.10139	0.4
110.97590	0.5
119.08590	0.5
121.10136	0.4
123.01210	2.0
127.03899	1.3
127.89829	0.3
128.98598	1.3
135.08003	0.4
137.02705	1.6
139.00693	1.3
139.03870	0.5
141.02229	2.6
143.00166	0.3
145.01689	0.7
145.10098	0.3
146.02826	0.4
146.99628	1.6
149.01216	0.3
151.00719	0.7
151.03941	0.4
153.02194	2.5
154.02214	0.4
155.03775	3.1
157.01712	4.5
159.03247	1.8
161.01192	0.6
163.04279	0.3
165.00761	0.4
165.02127	0.4
167.03812	1.7
169.01695	3.2
169.05391	0.7
171.03271	14.2
173.04829	2.5
175.02788	1.2
176.58949	0.3
177.04330	0.7
177.05725	0.4
179.03539	0.8
181.01775	0.7
181.05331	2.1
183.03273	2.6
185.01213	0.4
185.04840	6.6
185.06448	0.4
187.02728	2.8
187.06419	0.6
189.04311	6.4
191.05920	1.2
193.03763	0.5
194.04843	1.6
195.03297	0.3
195.06920	0.5
197.04863	3.0
199.02771	0.7
199.06413	5.7
201.04321	1.8
201.07933	0.5
203.03943	0.6
203.05864	9.8
205.07426	0.8
207.07025	1.4
208.06339	0.8
209.04837	0.4
209.08531	1.1
211.06450	1.1
212.05908	0.6
215.05766	2.7
217.05487	0.4
217.07411	6.9
219.10544	0.9
220.12256	0.4
221.06886	1.0
221.08743	2.1
222.07961	0.4
223.06445	0.7
225.07965	4.6
225.11525	0.4
226.07523	0.9
227.09531	1.1
229.07565	0.5
230.05260	0.5
232.10229	0.3
233.08580	2.1
235.06444	0.7
235.10138	2.7
237.07982	2.0
237.11635	1.0
239.09554	1.4
240.09137	0.5
241.07394	0.4
241.11018	0.3
242.24857	0.5
243.09035	2.4
245.08546	1.6
245.10706	0.4
248.09605	0.6
251.09532	6.0
253.11069	3.8
255.08875	1.4
257.10568	0.3
258.04831	0.3
261.08054	0.3
263.09470	15.9
264.09821	0.4
269.10605	3.1
271.12115	0.8
274.11099	1.1
279.67648	0.3
281.10565	100.0
282.11023	2.3
286.11218	0.5
292.12280	0.4
292.67465	0.8
299.11618	78.9
300.12024	2.2
304.05273	9.6
304.12152	24.0
304.25555	0.5
304.28418	1.4
305.06088	0.7
305.12442	0.8
308.22925	0.4
317.12772	0.5
322.13211	8.9
323.13593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01875	0.5
55.05494	0.7
56.05028	0.9
56.96558	2.0
57.03426	1.0
58.06564	0.4
61.02916	1.8
62.85894	0.3
63.61752	0.4
65.03965	0.4
68.05009	0.7
68.99783	0.4
69.03422	3.2
69.07061	0.7
70.06577	1.7
71.04986	0.8
71.61077	0.8
73.02910	1.0
74.06066	0.6
79.05487	4.0
80.05016	0.6
81.03396	1.3
81.05796	2.7
81.07048	4.2
82.06568	1.2
83.04982	0.6
85.02414	0.6
85.02902	8.9
86.06049	1.3
86.09690	3.4
87.04453	1.0
91.05487	0.7
94.06547	0.7
94.66128	0.4
95.04974	1.3
96.04485	1.7
96.08123	7.6
97.02876	2.9
98.06046	0.7
98.97614	1.5
99.04463	0.8
102.05531	0.8
104.54131	0.4
105.06980	0.4
106.06536	0.6
107.04962	0.5
109.02863	1.7
111.04440	0.5
112.07615	1.0
112.42451	0.5
113.06057	0.6
114.05518	1.7
116.98630	1.7
119.01917	0.7
123.04427	3.0
124.07584	100.0
125.07960	0.9
127.03909	3.4
128.98616	0.5
134.99603	1.0
139.03906	1.4
142.04958	0.7
142.08629	22.8
143.11781	1.3
145.04938	1.0
146.99628	1.3
149.01208	0.7
149.02354	1.3
151.03873	1.5
153.01807	1.5
155.03384	0.5
157.09714	0.5
157.13348	0.7
161.01215	0.6
161.02907	1.1
165.05663	0.5
177.00656	0.9
179.03389	0.5
185.09250	3.7
187.14412	0.8
189.00804	0.5
193.00175	0.4
202.06230	0.6
219.01761	0.7
230.69466	0.4
231.06502	0.9
237.02864	2.0
248.68047	0.5
259.06088	1.0
266.14145	0.4
269.52341	0.4
286.13931	2.3
287.05435	1.0
304.05621	0.7
304.10477	1.7
304.13971	1.0
305.06326	0.7
305.09137	0.7
305.12067	9.7
323.10220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.03430	2.0
61.02925	1.6
67.05495	0.9
68.52787	0.8
69.03423	2.8
70.98108	15.4
71.04985	1.0
71.61052	1.0
71.95263	3.2
72.96043	1.7
73.02921	1.3
74.97579	3.7
81.03413	1.8
81.04550	1.9
84.96031	5.0
85.02892	7.7
85.06535	1.2
88.99158	10.6
91.03984	0.8
95.06077	0.9
97.02884	6.0
98.97571	70.9
101.00890	1.6
102.96994	0.8
107.00217	3.5
109.02856	0.8
110.97533	4.2
112.99145	2.7
113.03510	1.1
115.00722	2.9
115.03917	1.1
116.98608	60.1
119.01899	5.2
119.33315	0.8
121.01685	0.8
124.95460	4.9
124.99203	0.8
125.02338	4.0
125.07159	2.2
127.03941	3.6
128.98611	8.2
129.03917	0.8
131.00172	7.6
131.01869	4.4
131.05504	4.6
133.01717	4.5
133.03503	3.0
134.75978	0.8
134.99643	40.0
136.06229	1.1
140.00203	1.3
140.98624	2.7
141.06665	1.1
142.96512	13.4
143.00160	4.0
143.01866	0.9
143.03372	4.6
143.08119	8.9
144.98122	3.1
145.01744	2.4
145.03503	2.0
145.04984	1.2
146.99635	11.3
149.01221	4.3
149.06586	8.8
149.07632	0.9
151.02788	1.9
153.00705	8.5
154.96553	1.0
155.01967	3.2
156.98160	1.3
157.03508	1.9
158.01282	1.6
158.99625	10.6
159.05040	1.0
160.46529	0.9
160.97585	12.9
161.01169	8.5
161.03008	3.1
161.06615	4.0
162.99199	3.0
163.02786	1.2
165.00687	5.9
170.96001	4.5
170.99687	1.5
172.97543	6.8
173.01283	2.6
173.03040	5.8
173.04266	0.7
173.06584	5.1
174.99103	7.3
175.04582	1.3
177.00685	14.0
177.06168	0.8
177.28152	0.9
179.02353	3.3
179.07686	2.7
183.03297	1.2
183.99164	1.0
184.97581	6.6
185.01273	1.6
185.03067	1.1
185.06546	5.3
186.99185	5.1
187.04576	0.8
187.08136	1.0
188.97057	35.1
189.00665	9.7
189.02272	0.8
189.04547	0.8
189.06226	1.3
190.95729	1.3
190.98625	27.9
191.02278	6.4
193.00179	11.7
195.01863	1.5
195.53923	1.1
197.03067	0.9
197.06699	1.3
199.04626	1.1
201.00636	3.7
202.98618	20.1
203.02359	4.8
203.04144	2.6
203.07622	8.9
205.00179	15.0
205.01917	1.1
206.98123	26.3
207.01749	11.2
208.96646	1.3
208.99684	7.6
209.01201	0.7
209.03323	1.8
209.06653	0.9
211.01234	1.8
211.98785	1.8
212.96933	3.7
214.98619	7.2
215.04149	1.0
215.07623	11.5
217.00215	4.1
217.09177	1.5
219.01740	6.3
220.99657	19.8
221.03214	1.4
221.05064	6.2
223.01225	7.5
224.56360	0.9
224.99333	3.0
225.02795	1.0
226.00333	1.2
227.07642	1.6
230.98105	35.3
231.07225	0.8
232.96524	3.4
232.99666	19.5
235.01295	8.7
237.02802	4.6
239.00690	5.1
239.07701	1.0
244.99655	6.5
245.05176	3.6
245.08777	1.6
246.02948	1.0
247.01225	1.5
248.99149	25.6
250.97653	2.4
251.00856	3.4
253.02397	1.1
253.99727	1.8
256.01535	1.6
257.08768	1.5
263.00726	35.0
267.00165	5.6
272.00885	1.1
275.00824	1.4
275.09879	3.5
281.01785	29.2
286.02505	1.7
287.09753	2.1
295.07010	1.0
299.02802	4.5
300.04147	1.0
304.03278	1.2
304.98926	1.7
305.02075	2.1
305.05551	9.1
305.11905	73.2
323.02890	2.9
323.06671	8.7
323.11554	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	305.0651
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02398	0.9
55.01861	1.2
64.33964	0.6
64.62201	0.5
65.03938	1.9
67.01855	5.0
67.05493	1.9
68.99780	6.3
69.03409	1.4
70.67786	2.0
79.01849	0.7
81.03424	1.4
83.01339	0.9
85.02888	0.9
95.04973	3.8
97.02906	1.6
105.03366	1.2
109.02856	1.9
111.00809	1.5
111.04423	7.1
119.26973	0.6
121.02862	8.1
123.04417	66.7
125.02329	1.0
127.03897	15.8
129.01816	0.9
129.07018	1.0
133.02850	3.3
134.18336	0.6
135.04408	4.6
137.02345	2.0
139.03883	10.4
139.04939	1.0
139.05360	0.7
145.06479	1.0
147.04416	3.1
149.02325	60.2
150.02974	2.2
151.03896	8.1
153.01811	100.0
154.02271	1.1
155.03363	12.1
155.77873	0.7
157.06444	3.3
160.05176	0.7
161.02313	4.4
161.05951	1.3
163.03912	2.9
167.02115	1.1
167.03404	12.8
167.04739	0.6
169.01311	0.7
171.02876	14.7
171.04256	1.0
175.03882	2.7
175.07556	1.4
177.05574	0.9
179.03387	6.5
183.02921	1.0
185.05972	8.3
189.05470	1.2
195.02895	15.4
203.03366	4.4
203.06995	1.1
213.05434	12.3
217.05045	0.9
231.06503	42.8
232.06805	0.9
241.04903	5.6
245.04439	1.2
258.05249	2.5
259.05984	58.7
260.06287	1.8
269.04437	0.7
273.93756	0.6
277.06781	1.1
287.05472	22.3
305.06482	20.8
305.15634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
54.36980	0.5
55.01853	1.2
56.96563	3.4
58.31247	0.6
59.69771	0.7
65.03910	2.6
67.01832	1.6
67.05478	2.2
68.99779	4.7
69.03397	1.5
69.07030	0.7
71.10167	1.6
71.73047	0.6
77.03887	0.9
79.26151	0.8
81.03394	1.5
91.05461	1.4
93.03355	1.0
95.04952	4.9
97.02864	0.9
98.97565	2.5
105.03363	2.1
105.07001	0.8
107.04949	1.1
109.02826	1.6
110.97555	0.8
111.00765	1.0
111.04436	6.4
112.99104	1.1
115.05447	0.8
116.98588	2.0
117.07005	1.1
121.02851	10.2
123.04419	66.4
125.09644	1.0
127.03902	17.7
128.98576	3.1
129.06964	2.1
131.00168	3.0
131.04868	0.7
133.02837	4.3
134.99612	2.1
135.04408	3.1
137.02299	2.5
137.05942	3.0
137.75986	0.6
139.03888	13.2
143.00192	1.2
145.06487	0.8
146.99612	2.5
147.04411	3.2
147.08029	0.9
149.01270	4.3
149.02328	70.1
150.03023	1.6
151.03868	8.7
153.01814	100.0
155.03474	1.0
157.06461	4.7
161.01170	3.2
161.02354	5.4
161.05943	0.9
163.03880	2.0
163.07556	1.4
167.02116	1.3
167.03403	13.5
167.04866	1.0
171.02919	2.1
171.04359	0.9
175.03911	2.8
175.07553	2.2
179.03398	9.6
185.01242	1.8
185.05983	9.5
189.00647	0.7
189.05417	0.8
191.02252	0.8
193.04999	0.7
195.02881	19.7
197.05965	1.3
199.02209	0.7
203.02220	3.1
203.03731	1.2
203.06952	0.9
213.05435	15.1
217.04892	1.6
221.03409	1.8
231.06503	52.4
232.06873	2.0
237.02777	0.9
241.04965	7.5
245.03157	1.1
258.05267	2.4
259.06006	64.8
260.06561	1.1
269.04395	0.8
286.12686	0.7
287.05469	23.2
287.13898	1.5
305.06500	25.8
305.09668	0.9
305.14633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02385	1.1
51.09058	0.8
53.03945	0.9
55.01864	1.9
55.04465	0.8
56.96544	1.0
65.03905	2.4
67.01838	2.1
67.05520	3.8
68.99393	0.7
68.99765	4.3
69.03414	3.6
70.06586	1.2
71.63224	0.9
72.08152	0.9
77.03967	1.0
79.05462	1.6
81.03392	2.2
81.07035	1.2
81.74306	0.8
84.08147	1.1
85.02884	2.0
86.09678	1.1
91.05456	2.4
93.07021	2.1
95.04957	4.6
97.02867	2.5
97.06495	1.1
99.04456	0.8
105.03369	2.1
105.07025	2.2
107.04961	2.4
107.08593	1.2
109.02888	4.2
111.00793	2.4
111.04454	8.2
116.98615	1.2
119.04906	1.1
119.08522	1.0
120.08078	1.1
121.02851	10.0
121.06478	1.6
121.10109	1.1
123.04415	69.8
124.04730	1.5
125.09609	1.4
127.03902	31.6
133.02820	4.2
135.04411	2.9
137.02307	1.7
137.05939	3.2
139.02867	0.5
139.03880	14.5
139.05472	1.2
139.07544	0.8
141.01849	0.9
147.04367	2.7
149.02325	66.2
150.03067	2.4
151.03868	15.4
153.01811	100.0
155.03433	4.2
157.06462	5.0
161.02295	5.1
163.03902	2.3
167.03416	12.4
169.01253	1.3
171.02899	1.6
175.03908	4.0
175.07434	1.4
179.03377	12.1
185.05956	9.9
191.08168	2.4
195.02866	18.8
199.04047	0.8
203.03419	3.9
203.07022	1.2
213.05426	14.6
215.07034	1.0
220.94527	0.8
224.08102	1.2
229.05145	1.3
231.06502	52.1
232.06772	0.9
241.04906	6.2
245.04428	1.3
249.04008	1.3
251.10835	0.8
258.05283	2.0
259.05988	58.7
260.06293	1.9
269.09012	0.9
269.12634	1.3
277.07031	1.6
287.05460	23.8
287.10245	3.6
287.13666	1.5
288.05768	1.4
305.02658	2.5
305.06335	27.6
305.10941	5.0
305.14713	2.0
306.06644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01856	0.3
65.03915	0.4
67.05499	1.0
68.99780	0.7
69.07064	0.4
71.06663	0.4
71.06970	0.3
72.14015	0.2
77.03926	0.6
79.05486	0.7
80.04993	0.3
81.03400	0.4
81.07043	1.6
91.05462	2.9
93.05783	0.3
93.07033	2.7
94.06559	0.7
95.04946	1.8
95.08578	0.6
96.08116	0.6
105.04509	0.3
105.07042	0.3
107.08581	0.5
108.08140	1.4
109.02852	0.4
109.06493	0.3
109.10141	0.9
111.00793	0.4
111.08097	0.3
121.02913	0.5
122.06013	3.2
123.04396	0.5
123.11701	0.3
124.07578	8.8
125.09542	0.3
126.05507	1.3
127.03892	2.2
133.10144	0.3
136.07558	100.0
137.02298	0.7
137.07907	2.0
138.09103	0.6
139.02840	0.5
139.03879	0.6
140.07014	1.3
149.13222	0.3
150.05499	0.9
151.03874	0.8
152.07043	17.7
153.01811	1.0
153.76450	0.3
154.02148	0.8
155.02298	0.9
162.05598	0.3
164.07042	78.4
165.01851	0.3
165.07379	1.4
166.08591	0.5
170.08110	5.8
173.11763	0.6
179.03371	0.7
182.08107	18.7
184.09703	0.4
201.05409	0.3
203.06013	0.6
229.04897	0.8
230.05017	0.3
231.05579	1.1
245.12852	0.4
259.05029	0.8
287.04602	0.5
287.10999	0.2
287.13843	7.0
305.05502	27.1
305.14679	2.4
305.24765	0.6
306.05792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05516	0.4
57.35540	0.4
67.05500	1.1
69.51634	2.8
69.52040	0.8
77.03907	0.8
79.05465	0.5
80.04996	0.5
81.07040	1.0
89.26735	0.5
91.05471	2.3
93.07048	2.4
95.04970	1.2
95.08573	0.7
96.08064	0.6
97.06514	0.4
107.38069	0.5
108.08118	1.7
109.10139	1.0
122.06033	3.1
124.07581	8.7
126.05498	1.4
127.03886	0.5
128.19768	0.4
136.07562	100.0
137.02232	0.4
137.07899	1.3
138.09117	0.5
140.07040	1.2
141.17676	0.4
152.07050	20.8
164.07050	77.8
165.07381	1.1
170.08145	5.0
182.08112	19.6
238.22932	0.4
287.13821	6.6
305.05502	7.6
305.14951	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
51.02358	0.8
53.03934	3.1
55.01854	2.3
55.05259	1.4
55.05506	19.7
56.96555	1.6
57.07062	4.0
59.05008	0.9
62.30324	0.7
65.03934	1.4
67.05500	35.5
69.03423	1.7
69.06712	1.4
69.07063	18.9
69.55984	6.2
71.04984	1.7
71.08622	1.0
73.06541	0.9
77.03878	0.8
79.05486	72.3
80.05823	1.1
81.03395	0.9
81.07050	42.0
82.07362	0.9
83.04971	2.1
83.08612	11.0
84.80804	0.6
85.06525	1.8
86.65755	0.7
91.04890	1.3
91.05466	28.7
93.07033	100.0
94.07351	1.0
95.04957	10.2
95.08597	29.3
97.06514	3.3
97.10148	7.1
98.20921	2.5
98.21511	1.0
101.06023	0.8
105.04501	1.5
105.07023	16.9
107.04964	2.3
107.08583	52.2
108.08917	1.1
109.06517	3.3
109.10149	14.6
111.08091	2.1
111.11743	1.0
117.07036	3.8
119.04980	1.0
119.08568	15.2
121.06490	2.5
121.10133	42.5
122.10480	0.7
123.08078	1.6
123.11703	3.3
125.09594	3.5
129.07010	2.5
131.08556	9.3
133.06470	2.4
133.10124	9.1
135.08061	2.5
135.11678	50.5
137.05966	1.9
143.08525	2.6
145.10114	7.1
147.08018	3.7
147.11673	5.0
149.09621	1.7
149.13248	27.0
150.13475	0.9
157.10103	1.9
159.11646	3.4
161.09616	2.0
161.13263	3.2
162.10440	1.0
163.11151	1.7
163.14784	8.7
171.11671	2.0
173.13254	2.1
175.11185	1.1
175.14827	1.2
177.16339	1.6
185.13223	1.8
187.11125	0.7
187.14818	1.3
187.89459	0.8
189.12816	1.0
195.13890	1.0
199.07083	0.7
199.14693	0.8
203.12784	2.2
209.15306	1.3
213.16345	1.3
221.15430	0.9
223.17029	1.4
231.17586	0.8
235.16956	1.6
249.18555	2.4
255.17357	0.9
259.20590	1.5
263.16266	1.1
263.20074	2.9
273.18442	6.0
287.23724	5.1
305.05936	0.8
305.21121	71.6
305.24780	72.2
306.16995	1.1
306.21500	4.6
306.25192	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	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
52.72072	1.4
53.03926	3.5
55.01864	1.8
55.05505	16.8
56.96566	3.5
57.03431	2.0
57.07067	8.0
59.04995	4.6
65.03948	1.9
67.05157	2.6
67.05500	29.8
67.82256	1.6
69.03419	7.4
69.06709	2.2
69.07063	29.2
69.58736	10.9
69.59146	3.8
70.06590	6.4
70.99286	1.7
70.99682	1.6
71.04628	2.6
71.04990	29.1
71.08631	2.9
73.06569	2.0
79.05485	29.1
81.03400	2.7
81.07051	100.0
82.07392	2.0
83.04977	6.4
83.08603	12.7
84.08128	2.1
85.06525	6.4
86.09724	2.0
88.07613	1.9
91.05464	19.4
93.07038	75.5
95.04967	13.3
95.08598	57.6
97.06516	6.2
97.10151	5.7
98.21457	3.4
98.97569	3.2
99.08089	7.0
102.09159	1.9
105.07024	42.6
107.04926	1.6
107.08589	77.3
109.02878	3.4
109.06532	11.0
109.10142	42.3
111.08080	6.6
111.11715	2.8
113.09653	3.3
116.98619	2.7
117.07024	4.4
119.08568	42.8
120.61422	1.8
121.06503	1.8
121.10131	63.0
122.10506	2.0
123.04409	7.2
123.08034	7.5
123.11703	23.4
125.05990	2.8
125.09595	10.7
127.03909	63.5
127.11181	14.2
128.04266	2.8
129.06973	1.7
130.07860	1.9
131.08559	11.9
132.10262	2.0
133.02895	1.8
133.10123	28.8
134.99640	2.1
135.08060	3.2
135.11684	34.7
137.05914	2.0
137.09618	9.0
137.13274	6.9
139.03896	11.9
139.11168	4.5
142.07809	2.2
143.08574	5.7
143.10658	12.8
145.10112	25.3
146.11755	2.9
147.04387	3.1
147.11685	29.9
149.06009	3.9
149.09662	2.5
149.13252	29.4
151.03896	22.3
151.11108	9.0
151.14871	1.7
153.01720	1.6
153.12726	5.7
155.03419	2.7
157.10100	7.0
159.11673	22.4
161.06006	2.6
161.09607	2.5
161.13284	12.6
163.11176	6.7
163.14803	7.1
165.12741	6.6
167.10730	2.5
167.14299	2.0
171.11679	5.3
173.13289	11.4
175.03891	4.0
175.14825	6.9
177.12633	2.1
177.16351	7.6
179.03406	19.8
179.14285	1.8
181.12186	2.6
185.13248	6.3
186.52017	1.6
187.14795	4.9
189.16437	8.9
190.12279	1.8
191.14284	2.8
191.17883	2.3
193.15897	3.3
195.17508	6.5
199.14832	6.9
200.20164	5.9
201.16353	29.7
203.03372	2.1
203.17940	5.3
205.15891	5.4
213.16393	6.2
215.18018	2.5
217.19614	2.3
219.17461	6.4
223.16940	5.4
227.17862	2.3
231.17575	2.8
234.11017	1.9
244.22696	9.2
245.18863	1.7
245.22734	2.3
269.22678	13.3
277.06912	2.2
287.05585	8.4
287.16473	4.1
287.23648	30.1
305.05969	27.5
305.11307	2.9
305.17523	4.2
305.21274	3.8
305.24774	53.5
306.17117	3.9
306.26431	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	306.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.23155	0.7
55.01860	1.0
56.96558	0.8
57.03413	1.6
58.06588	1.3
58.99579	0.8
61.02922	1.7
65.03921	1.9
68.04998	1.8
69.03427	5.9
70.06580	0.8
70.32419	0.8
71.60822	0.7
73.02896	1.1
76.84244	0.6
81.03380	2.4
81.07024	1.0
84.04467	2.3
84.08131	5.2
85.01115	2.2
85.02899	15.4
87.04471	0.9
91.03990	1.2
91.05498	1.1
93.07014	0.8
97.02923	3.4
98.00631	2.1
98.97567	1.2
98.98468	1.3
99.02693	3.8
99.04437	1.5
103.03918	1.2
105.07001	1.7
109.02849	2.4
112.02136	1.0
113.02956	1.9
119.08543	0.9
123.04442	4.2
126.03730	26.8
127.03884	3.8
127.04566	2.2
130.06537	0.9
132.24684	0.8
132.95842	2.0
137.05975	1.8
139.03886	6.8
140.04222	1.1
143.08548	1.1
144.04771	100.0
145.05020	3.3
145.10132	1.1
147.04428	2.0
149.02332	0.9
150.96883	1.4
151.03926	2.2
152.04289	0.9
155.03383	3.1
155.97414	0.8
158.05934	0.9
163.03886	1.6
169.13470	0.9
174.96838	1.7
186.05814	3.5
215.13896	1.3
229.16357	0.8
243.17113	2.0
260.06268	1.5
285.05554	0.8
287.98090	1.1
288.05753	1.3
306.10007	18.9
306.17035	8.0
307.16714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28733	0.3
58.02938	0.4
60.17801	0.3
63.98096	0.3
64.80071	0.3
65.03934	0.3
66.44179	0.3
69.07051	1.1
70.33273	0.3
70.86751	0.6
70.87088	0.6
79.05485	0.7
81.07046	0.4
83.08575	0.3
91.05456	0.6
93.07053	0.5
94.04190	1.6
109.10114	0.6
122.03630	6.0
126.09077	0.4
133.10060	0.6
135.11678	1.1
137.05962	100.0
138.06325	1.0
151.11143	0.4
153.12746	1.0
170.15364	1.7
182.15366	2.8
200.69370	0.3
217.09520	0.3
282.69351	0.3
306.20602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.2
59.06102	0.2
59.92195	0.2
70.70417	0.7
97.56848	0.2
101.00855	0.5
119.01910	4.8
134.99791	0.4
137.02936	2.6
140.98715	0.2
145.75743	0.2
153.00821	0.2
154.47295	0.2
158.99861	0.3
173.70172	0.2
177.00923	9.4
178.01038	0.7
179.00983	0.2
182.99829	0.2
193.04051	0.3
194.44708	0.2
195.02036	0.4
195.50082	0.2
201.00949	0.6
217.04060	2.2
218.03702	0.2
219.01979	19.1
220.02089	1.1
221.01926	0.6
225.00838	2.0
240.05682	0.2
242.03500	0.6
243.01932	5.9
258.06860	0.3
260.04657	0.5
261.03027	100.0
262.03125	5.8
263.03485	0.4
265.02670	0.3
266.03537	0.7
284.04700	8.2
285.04794	0.7
302.03604	0.5
302.05737	0.6
307.06116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86267	1.7
56.96563	9.0
57.10528	1.7
62.57323	1.8
69.03413	2.7
77.00867	1.8
82.99866	2.0
85.02887	7.1
97.02881	4.5
98.97595	5.5
101.00874	17.9
103.02431	10.0
105.00349	2.1
113.00825	3.6
115.02422	13.3
117.03992	1.9
119.01913	84.2
120.01977	2.2
121.01654	3.9
121.03474	13.3
127.03890	2.0
129.03970	5.4
131.01888	27.4
133.03470	23.6
137.02945	17.6
143.01886	14.0
145.01688	2.5
145.03441	37.0
146.03516	2.7
146.99686	2.6
147.01407	2.5
147.05006	6.2
149.02899	10.9
151.04471	2.2
155.01871	27.1
156.02661	2.3
157.03462	34.8
159.04993	10.8
161.02943	29.7
163.04575	19.7
165.00743	2.4
168.99744	3.4
171.05064	3.8
173.02939	35.7
175.02989	2.4
175.04512	34.3
177.00815	2.5
177.02452	6.6
177.06067	4.3
181.03722	2.6
185.02928	10.3
187.00880	16.1
187.02505	2.4
187.03014	2.8
187.04468	18.6
189.02426	2.8
189.06087	3.3
190.98596	3.7
191.03989	7.3
193.00150	2.7
197.02965	2.9
199.04483	12.7
203.04007	8.7
205.01949	5.5
205.05504	12.8
205.07246	2.4
208.99600	4.0
215.00372	17.4
217.05562	4.6
219.03500	8.0
221.05040	41.5
222.05115	3.4
229.01967	5.4
229.05544	3.3
231.13860	2.5
233.01544	2.7
235.01175	3.7
239.06038	2.4
245.05063	6.8
247.02983	32.0
247.06624	52.3
259.06506	2.3
261.02975	2.6
263.06094	3.3
265.04526	4.4
265.07681	89.0
266.08118	3.2
288.09195	3.8
289.04044	5.9
307.08298	100.0
308.08649	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31131	1.5
55.01858	2.0
56.96562	19.5
57.03439	2.9
61.02906	4.0
62.18997	1.6
62.86847	1.5
67.05486	2.4
69.03425	7.1
70.21141	5.5
72.85355	1.4
73.02904	3.6
77.00877	2.8
79.05506	1.9
81.03417	2.3
82.99883	1.6
84.95989	1.7
85.02895	15.0
87.49259	1.4
88.51013	1.4
88.99134	1.8
97.02867	7.6
98.97549	10.9
99.04430	2.6
100.99125	2.0
101.00848	14.6
103.02400	6.7
109.02842	2.0
109.92799	1.6
110.97534	1.8
113.00800	2.8
115.02435	9.9
116.98633	7.6
119.00118	3.2
119.01907	100.0
119.04887	1.7
120.01981	5.8
121.01633	2.7
121.03509	8.6
121.04208	1.6
122.35853	1.4
125.62636	1.5
127.03893	10.5
128.98573	5.2
129.03979	3.6
131.01892	19.0
133.01768	1.6
133.03459	26.5
134.99632	5.0
135.04343	2.4
137.02940	26.2
139.02768	2.3
139.03888	47.6
142.03481	4.2
143.01894	15.8
143.08200	1.5
145.01662	1.9
145.02425	1.9
145.03456	34.1
145.04736	2.5
145.10039	2.5
146.99593	4.7
147.01338	3.8
147.03166	2.3
147.05077	7.5
149.01163	2.5
149.02937	8.2
151.04536	2.1
155.01883	19.0
156.02634	1.7
157.03452	29.3
158.99609	2.9
159.04936	6.8
161.02953	32.8
162.03200	2.1
162.99095	3.3
163.02615	3.5
163.04391	12.4
165.00725	4.8
167.84502	1.5
168.99782	6.1
170.99644	2.6
171.01295	3.1
171.04985	4.3
173.02953	31.6
174.03090	1.9
174.99069	3.8
175.03021	2.2
175.04509	27.3
177.00821	3.4
177.02400	11.7
177.05873	4.3
181.03564	3.1
181.04987	2.9
185.02922	13.9
185.13174	4.4
187.00882	20.2
187.02647	2.8
187.04460	12.6
188.00926	1.8
189.00656	2.7
189.02376	3.0
189.06026	5.3
190.98618	3.5
191.02272	3.2
191.03935	9.4
193.00179	7.9
196.99324	5.2
197.02882	2.5
198.79054	1.5
199.04501	9.0
200.04341	1.8
201.02423	2.8
201.04184	1.6
203.04002	11.5
205.00192	2.7
205.01900	6.4
205.03757	2.5
205.05566	9.7
208.99615	8.6
215.00328	28.8
217.00070	3.3
217.01982	3.1
217.05634	3.3
217.08943	2.8
219.01796	3.3
219.03467	7.0
221.05063	31.9
223.00957	1.5
226.09497	1.9
227.03949	2.8
229.01945	7.7
229.05544	3.0
231.13756	2.3
233.01448	2.2
235.01144	3.3
237.02660	4.8
239.06050	3.1
241.05463	2.1
245.05067	10.7
246.05237	2.2
247.02924	45.1
247.06584	37.2
248.03061	3.8
248.06764	2.7
261.03098	4.6
263.06070	1.9
265.04080	8.1
265.07672	71.8
266.07730	2.6
270.04373	3.4
277.07614	5.3
287.05075	2.8
288.09186	4.3
288.98837	2.5
289.04153	11.4
289.07034	3.1
307.04895	9.6
307.08420	76.6
307.13882	3.6
308.08707	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	307.081
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00280	0.4
55.01868	0.9
55.05502	0.5
56.96562	0.7
58.81723	0.4
59.04995	0.3
59.06101	1.2
60.04508	0.3
65.03925	1.0
67.03842	0.3
67.05497	1.2
68.99774	0.9
69.03423	0.9
69.07062	0.4
70.06580	0.4
70.46534	0.3
70.60191	0.6
70.60588	0.7
76.02221	1.1
79.05481	0.5
81.03415	0.6
81.07049	1.1
82.51893	0.3
83.04969	0.5
84.04499	0.4
85.02895	2.1
85.06512	0.6
89.03889	0.4
91.05485	0.8
93.03411	0.6
95.04971	1.5
97.02892	0.8
98.97598	0.4
98.98454	0.7
107.04929	1.1
109.06578	0.4
109.10153	0.4
111.04424	1.4
115.07574	0.4
116.98573	0.4
117.09383	0.3
119.01884	0.3
119.04940	0.6
121.02853	1.1
123.04428	3.0
126.55515	0.3
127.03898	4.5
127.07555	0.5
130.06523	0.9
131.04929	1.2
131.08591	0.6
133.02846	1.5
135.04395	3.7
136.07593	0.3
139.03886	100.0
140.04198	2.0
145.02826	0.5
145.06522	0.3
145.08585	0.5
146.06084	0.3
147.04385	2.0
149.02281	0.4
149.06007	0.9
151.03873	4.4
153.05458	0.9
155.01089	0.6
155.03383	4.4
156.43648	0.4
157.07620	0.7
158.06021	0.9
159.04395	2.2
163.02524	0.5
163.03888	10.3
163.05199	0.6
165.05476	0.4
167.03455	0.4
167.06975	0.4
169.04959	2.4
175.02707	0.3
177.05444	3.0
179.04874	0.6
181.04941	5.8
195.06537	2.5
201.05476	0.5
205.04962	1.0
206.58261	0.3
223.06053	1.3
237.02814	0.4
242.99576	0.4
247.06094	0.7
250.98625	0.3
289.07065	1.6
289.11765	0.4
290.06641	0.5
307.08090	1.4
307.12952	0.6
307.16864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
67.01852	4.7
67.05501	1.2
68.99780	5.7
71.31318	1.3
81.03393	1.3
83.04974	0.7
87.00813	0.6
91.05452	2.3
93.03400	1.2
95.04973	0.7
96.00716	0.7
97.02905	1.0
98.21192	0.9
107.04951	1.2
109.02858	3.0
111.04413	2.3
119.04927	11.0
119.64442	0.7
121.02896	0.8
123.04417	53.6
124.04789	2.0
127.03908	3.4
130.06509	18.1
131.04874	1.0
131.06941	0.7
132.04445	4.6
133.02870	0.9
135.04422	1.8
137.02318	6.5
137.05923	0.9
139.03893	32.9
146.05962	1.5
147.04395	33.0
148.04755	1.1
149.02379	1.1
149.05991	0.8
151.03874	1.7
155.03377	100.0
156.03703	3.4
157.07594	17.2
157.50978	0.6
158.05995	20.4
159.04436	1.2
161.05972	1.4
163.03899	5.3
165.04128	1.3
165.05464	20.4
166.05745	0.8
167.03397	0.8
173.05847	0.9
173.07195	1.6
175.08653	11.5
177.05464	4.0
181.04948	0.7
187.03879	2.3
190.15292	0.7
199.08784	0.8
201.06729	1.1
203.08252	0.8
219.06625	0.7
229.05013	2.1
243.07585	2.6
261.08725	11.2
262.09210	0.7
271.06174	2.4
289.07059	6.8
307.08301	3.1
315.01385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0808
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00297	0.5
55.01866	0.6
55.05507	0.2
57.03425	0.2
58.18892	0.1
63.28499	0.1
65.03930	1.0
67.01882	0.1
67.05496	0.8
67.23933	0.1
68.99790	0.9
69.03413	0.3
70.54535	0.6
79.05476	0.2
81.03376	0.2
81.07050	0.2
83.04968	0.5
85.02321	0.1
85.02887	0.3
87.93733	0.1
91.05466	0.2
93.03384	0.7
93.07035	0.2
95.04959	1.5
97.02911	0.2
99.92643	0.1
103.05396	0.2
107.04928	1.4
111.04412	1.5
117.03384	0.3
119.04951	0.3
121.02881	0.9
121.06501	0.2
123.04405	1.7
127.03905	0.7
130.06508	0.5
131.04903	1.0
133.02831	1.5
135.04408	2.8
139.03885	100.0
140.04221	2.0
145.02837	0.6
146.06017	0.4
147.03404	0.2
147.04347	1.0
149.05911	0.9
151.03886	4.0
153.01819	0.5
153.05469	1.0
155.03362	0.7
157.07617	0.5
158.05971	0.3
159.03183	0.3
159.04385	2.7
163.03886	9.8
164.04199	0.3
165.05457	0.4
167.07028	0.5
169.04953	2.4
175.08743	0.2
175.89493	0.1
177.05447	3.0
179.03357	0.2
179.06946	0.3
181.04944	5.4
195.06517	3.6
205.04895	0.7
205.47746	0.2
206.49185	0.2
219.06319	0.2
223.06041	1.3
247.05981	0.6
261.08643	0.3
265.07123	0.2
271.06235	0.2
273.08792	0.2
289.06934	0.8
307.08115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	20.6
57.03423	2.9
61.86560	1.2
63.25237	1.1
64.90637	1.2
69.03414	4.3
71.04967	1.2
73.02873	1.7
77.00877	2.0
79.86118	1.1
81.03399	1.9
82.99810	1.7
84.96020	2.3
85.02895	9.5
86.09118	1.2
91.03973	1.3
91.05443	1.2
93.37302	1.3
95.01913	1.4
97.02888	5.1
98.97570	11.9
99.04443	1.3
100.99143	2.9
101.00860	16.8
102.00922	1.3
103.02435	8.0
110.97554	1.9
113.00862	3.3
115.02419	12.3
116.98624	9.7
117.04005	1.7
119.01907	100.0
120.01999	3.5
121.01668	5.7
121.03460	8.8
127.02375	1.9
127.03920	5.8
128.98578	5.0
129.03983	3.4
131.01884	26.0
132.01923	1.7
133.01724	1.4
133.03455	28.1
134.03598	1.1
134.99654	6.3
135.05063	2.0
137.00864	1.3
137.02925	25.0
139.02829	1.2
139.03882	8.0
141.03960	1.2
142.03488	4.8
143.00157	1.6
143.01878	15.4
143.08260	1.3
144.98129	1.7
144.99818	3.0
145.01689	2.5
145.03450	39.1
145.04713	2.0
145.05092	1.7
145.10098	2.4
146.03564	2.0
146.99625	6.2
147.01398	3.2
147.03204	1.6
147.05049	7.9
149.01175	1.5
149.02927	10.2
151.04495	3.5
155.01904	20.6
156.02713	1.9
157.01662	3.9
157.03450	31.7
157.10143	1.7
158.03595	1.7
159.01384	2.7
159.05093	6.4
161.01416	2.6
161.02934	33.4
161.04291	1.6
162.03157	2.3
162.99185	2.8
163.02687	3.9
163.04491	19.7
165.00748	3.2
167.01981	2.0
168.99866	7.1
169.03409	2.3
170.99667	1.5
171.05020	3.9
173.01471	1.7
173.02951	34.3
174.03055	1.6
174.99190	2.9
175.02774	6.3
175.04489	34.0
177.00989	2.2
177.02441	9.9
177.03853	1.8
177.06055	4.9
179.04077	1.5
181.00151	1.4
181.03687	2.5
181.05542	3.7
183.01781	1.7
184.04601	2.3
185.02907	10.1
185.13240	1.4
187.00870	15.4
187.02692	4.2
187.04428	12.4
187.07828	1.7
188.01051	1.6
189.00739	2.4
189.02448	3.1
189.06111	4.2
190.98634	3.8
191.02245	3.4
191.04018	7.6
193.00200	11.1
196.99315	1.7
197.02963	2.9
199.02754	2.0
199.04449	12.4
200.04442	2.7
201.02383	2.1
203.03992	11.3
205.00211	2.4
205.01872	8.1
205.03761	2.4
205.05577	12.1
206.98016	1.4
207.01765	2.0
208.99692	4.9
211.01195	4.5
215.00359	25.5
216.00418	1.9
217.00104	2.3
217.01970	2.9
217.05615	7.6
217.08958	1.6
219.01874	4.6
219.03694	9.4
219.07083	2.1
221.05031	34.9
222.05444	1.7
229.01950	7.6
229.05574	2.7
231.13806	2.7
233.01447	3.0
235.01208	11.6
237.00711	1.4
237.02736	2.9
237.53308	1.6
238.01988	1.6
239.06120	3.5
241.05652	2.5
243.01892	2.0
245.05046	9.2
247.02998	48.4
247.06667	45.9
248.03125	3.0
248.07022	1.9
253.02295	1.5
261.03018	27.3
262.03091	1.5
263.06094	2.6
265.04120	7.0
265.07718	93.4
266.07925	4.4
270.04575	3.6
277.07626	3.1
283.06940	5.6
284.04529	1.9
288.09293	5.4
288.98718	1.6
289.04129	7.9
307.05200	6.5
307.08673	98.5
308.08823	6.5
325.07809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
56.96561	1.7
60.03131	1.3
65.03972	1.3
67.01856	1.2
67.05495	3.9
69.03417	3.0
69.07056	2.0
70.06586	2.5
70.81080	3.3
71.04977	1.9
72.08157	1.8
74.48470	1.2
76.02210	3.1
79.05472	2.4
81.03400	3.0
81.07031	5.5
81.76059	1.1
83.04974	1.8
83.08589	1.5
84.04501	2.3
84.08131	1.7
85.02883	5.3
86.09667	2.0
91.05457	4.4
93.07018	3.4
95.04965	2.5
95.08607	1.9
97.02898	2.9
98.98446	3.2
99.04428	2.2
99.77012	1.0
103.03918	2.7
105.07008	3.4
107.08569	1.9
109.02859	1.7
109.06484	1.8
109.10158	1.8
109.55659	1.5
111.04410	1.8
116.98595	1.5
117.68533	1.1
119.04906	2.9
121.06515	1.9
121.10159	1.4
123.04443	11.3
127.03895	7.6
130.06523	88.4
131.04970	1.2
131.06891	2.4
131.90750	1.1
132.04453	20.0
133.06493	1.9
133.10194	1.4
137.02338	2.4
139.03893	47.9
140.04205	2.1
141.01953	1.1
145.04929	2.3
146.06021	6.2
147.04404	9.5
149.09595	1.9
151.03934	3.2
151.11188	2.7
155.03391	15.4
157.07605	77.5
158.06004	100.0
158.08044	3.5
159.06325	2.2
161.05991	1.7
162.02206	1.7
163.03932	8.0
164.25929	1.3
165.05432	2.9
173.07111	4.1
175.08667	49.6
176.07065	1.4
176.08876	1.9
177.00743	1.5
177.05464	2.6
179.04976	1.4
197.07112	2.2
199.08661	2.3
201.06639	3.5
203.08223	5.6
221.09192	3.4
225.06696	1.2
243.07649	9.9
245.09128	2.3
247.04771	1.4
247.07025	2.6
254.85347	1.3
261.08713	50.0
262.08942	2.6
271.07294	1.6
289.08334	14.5
307.09131	6.6
307.12616	2.6
307.16934	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01873	2.0
55.05505	3.3
56.96556	2.0
57.03434	5.6
57.07062	0.8
59.05011	1.1
59.73709	0.5
61.02924	2.5
67.05497	3.8
68.41092	0.5
69.03423	29.1
69.06487	0.5
69.07063	10.2
69.24563	0.7
71.01363	1.4
71.04990	7.0
71.61380	0.7
73.02901	4.1
79.05495	2.4
80.92319	0.5
81.03410	25.9
81.07052	9.2
82.06581	0.5
83.04964	1.3
83.08621	1.8
85.02898	78.3
85.06524	1.0
86.03233	0.7
87.04440	1.3
91.03956	0.8
91.05480	2.6
93.07034	4.6
94.04181	1.0
95.04967	2.4
95.08592	6.9
97.02885	25.6
97.06532	1.3
97.10166	1.2
98.21069	0.7
98.97594	1.5
99.04448	42.1
99.08095	0.8
100.04728	0.6
101.02362	1.1
103.03934	86.4
104.04250	0.8
105.07011	2.9
107.08585	4.2
109.02872	23.2
109.06498	1.9
109.10169	4.8
111.08067	1.3
111.11708	2.4
115.03963	0.8
116.98625	1.1
119.08585	2.1
121.06514	1.0
121.10162	3.5
122.03635	1.6
122.06026	0.6
123.08083	1.6
123.11708	2.5
127.03908	100.0
128.04254	1.3
131.08580	1.4
133.10123	2.1
135.08075	1.5
135.11676	1.6
137.05971	23.7
138.06259	0.7
139.03911	5.5
139.11156	2.7
143.08609	1.0
145.04948	35.8
145.10162	1.2
146.99628	0.9
147.08121	1.0
147.11710	1.2
149.01196	0.6
149.13210	1.2
151.07492	0.7
151.11140	1.4
153.01859	0.7
158.99631	0.7
159.11633	1.0
161.09583	0.6
161.13235	1.1
163.03938	0.8
163.05992	11.6
163.11226	0.7
165.09122	1.4
172.03885	0.6
175.14970	0.6
187.06004	15.5
188.06189	0.6
189.00722	0.7
205.07076	9.6
215.17870	0.6
253.07126	0.8
259.40482	0.5
266.04495	0.9
271.08154	2.8
271.16864	0.6
271.24036	1.2
281.06958	4.9
284.05594	0.6
287.11386	2.5
289.09317	0.6
289.18002	0.9
289.25113	1.4
296.12149	0.7
299.08102	1.4
307.06305	1.1
307.09402	3.0
307.15457	1.0
307.19162	1.4
307.26340	5.4
307.62830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13374	0.5
53.03937	5.3
55.01857	2.1
57.03424	3.9
61.02909	2.9
69.03416	25.6
69.08781	0.5
70.88256	1.4
71.04987	6.6
73.02901	3.7
81.03406	25.2
81.07035	0.6
83.01331	0.8
85.02890	84.5
86.03214	1.1
87.04424	1.1
91.03944	0.9
91.05482	0.6
96.12370	0.5
97.02872	20.8
99.04437	44.4
100.04783	0.9
103.03925	90.1
104.04283	1.2
105.07058	0.7
109.02859	21.6
115.03883	0.8
123.04424	0.5
124.07590	0.9
127.03895	100.0
128.04216	1.7
136.07553	6.6
138.09114	6.5
139.03905	1.9
145.04932	31.9
146.05240	0.6
152.07095	1.3
163.03859	0.6
163.06001	9.2
164.07063	10.0
169.04768	0.5
182.08049	2.9
183.09454	0.5
183.16013	0.5
187.05981	15.7
188.06331	0.6
192.50873	0.5
205.07048	8.5
246.40079	0.5
253.06975	0.9
271.08093	2.7
289.09283	1.1
289.15173	0.7
300.72745	0.5
307.16437	0.7
308.68823	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.7
55.05499	4.1
55.55913	2.1
56.96552	3.3
57.03429	12.5
59.04974	2.4
67.05493	11.6
69.03418	24.6
69.07063	7.0
70.96555	4.7
71.01324	3.6
71.04974	12.1
73.02898	6.9
79.05471	8.4
81.03404	3.1
81.07041	13.6
83.04962	16.3
83.08571	3.6
85.02895	30.5
85.06522	2.8
87.04456	5.2
90.13525	2.3
91.05450	13.5
91.58453	2.2
93.07009	6.9
94.84039	2.1
95.04960	18.7
95.08601	11.7
95.85222	2.2
97.02869	6.6
97.06497	5.0
98.98478	4.7
99.04446	13.7
100.71338	2.2
101.02345	2.8
103.03938	6.7
103.05463	38.0
105.07019	13.2
107.04950	6.6
107.08567	5.5
109.02871	5.6
109.06488	4.3
109.10152	9.8
109.17432	2.2
111.04429	14.9
113.05983	8.4
115.05446	28.8
117.07020	32.9
119.04938	20.5
119.08567	5.0
121.06458	5.9
121.10124	6.4
123.04381	2.9
123.11694	3.1
124.07613	3.5
127.03922	11.5
128.06197	7.0
129.05467	6.1
129.07002	15.1
131.04916	83.6
131.08540	10.2
133.06467	10.1
133.10114	3.5
134.03644	2.7
135.07968	3.4
136.05255	1.9
137.05963	55.5
139.03880	2.6
139.05370	2.9
141.06975	22.3
143.04918	15.2
143.08559	2.6
144.05688	8.0
145.06477	48.2
146.03604	8.8
147.04399	39.0
147.08028	4.2
148.05156	7.5
149.05965	29.6
150.06705	2.5
151.03804	3.2
151.07539	32.4
153.06956	4.3
154.07724	3.9
155.00969	2.4
155.04883	4.5
155.06078	3.6
155.08511	12.6
157.06497	16.8
158.07254	6.7
159.04407	9.8
159.08040	9.7
160.05174	28.4
161.05975	28.1
161.09631	2.3
162.03078	2.9
162.06738	5.2
163.03928	6.8
163.07526	100.0
165.05473	5.7
165.06946	5.1
165.09085	24.4
167.06978	4.0
168.05667	3.7
169.06461	22.0
170.59753	2.4
171.04382	5.5
171.08211	2.8
172.05231	6.2
173.05913	12.0
173.09641	2.6
174.06766	11.9
175.07539	67.2
176.04681	8.6
176.08305	6.1
177.05457	51.0
177.09059	25.7
178.06177	6.9
179.07028	29.5
181.08650	3.9
183.08034	15.9
185.05988	8.4
186.06709	7.6
187.07532	46.0
188.04628	2.7
189.05435	6.3
189.09091	22.9
190.06250	7.2
191.06995	60.3
191.10643	3.3
193.08539	18.6
195.06500	9.6
197.05940	17.7
198.06650	3.5
199.07509	10.2
200.08304	6.8
201.05559	3.4
201.09090	35.7
203.07085	24.4
204.07707	3.8
205.04884	3.0
205.08607	20.5
205.12254	2.8
207.06378	3.6
209.07982	2.5
210.06746	3.4
211.07494	13.3
213.05453	3.8
213.09088	3.6
214.06245	3.6
215.07056	8.3
215.10703	17.0
217.08553	22.1
219.10097	6.7
221.08061	3.3
225.09052	7.7
228.07765	7.7
229.08589	48.9
231.10126	6.3
233.08057	23.1
239.07146	2.4
241.08670	3.9
243.10155	21.5
245.08018	7.8
247.09721	12.8
259.09656	10.5
261.11188	8.3
264.04874	3.1
264.07773	5.5
271.09650	8.8
286.10928	2.7
289.10742	14.7
289.14819	2.4
307.06125	51.5
307.11835	45.7
307.26257	4.9
317.92926	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	307.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.3
55.05510	6.4
56.14692	2.5
56.96544	3.0
57.03424	9.3
59.04994	4.4
59.34315	2.4
63.88113	2.3
65.98042	2.6
67.05487	10.6
67.66679	2.7
69.03411	21.9
69.07050	8.1
71.01310	3.3
71.04984	9.6
71.63859	3.9
73.02903	4.9
76.96264	2.5
79.05484	7.4
81.03410	4.3
81.07053	14.8
83.04984	15.4
83.08585	3.6
83.20187	2.5
85.02888	26.0
85.06551	3.7
87.04454	9.2
91.05489	20.2
93.07029	7.6
95.04958	10.6
95.08597	8.9
97.02860	3.0
97.06526	5.1
98.98426	4.0
99.04449	10.5
99.08059	2.9
101.02390	4.3
103.03930	4.3
103.05452	35.6
105.07013	12.3
107.04937	5.6
107.08575	8.4
109.02901	5.6
109.06488	2.8
109.10132	6.5
111.04436	10.8
113.05994	4.5
115.05440	23.3
116.06181	2.6
116.98611	3.0
117.07004	27.3
119.04933	11.3
119.08567	5.9
121.06499	9.7
121.10109	4.5
123.04443	6.2
123.11733	7.8
127.03905	10.4
128.06227	7.6
129.05486	4.2
129.06984	10.4
131.04916	67.1
131.08591	5.5
133.06467	2.9
133.10088	5.7
135.08002	4.2
137.05966	40.4
139.03873	6.6
141.07002	20.4
143.04919	12.0
143.08566	3.9
144.05678	8.3
145.06474	38.2
146.03612	8.0
147.04407	35.3
147.08018	3.3
148.05139	3.8
149.05962	19.8
151.07549	28.9
151.11165	3.7
153.06973	4.6
155.04924	5.8
155.08611	6.0
157.06494	15.3
158.07254	6.3
159.04399	9.4
159.08069	8.3
160.05176	19.7
161.05963	26.4
162.06691	6.3
163.03903	3.7
163.07532	100.0
165.05469	4.5
165.06943	3.9
165.09074	22.0
167.07010	3.8
168.05675	5.0
169.06476	23.8
171.04388	4.5
171.08092	3.7
173.06021	8.2
173.09642	4.1
174.06731	10.2
175.07539	52.7
176.04678	6.0
176.08299	2.7
177.05453	48.2
177.09039	21.0
178.06219	8.0
179.07034	21.9
181.08533	3.5
183.08067	11.8
185.05992	7.6
186.06752	7.2
187.07497	33.0
189.05388	5.5
189.09091	18.0
191.07022	47.4
191.10690	4.3
193.08626	15.5
195.06584	5.8
197.01167	5.0
197.05974	14.3
198.06842	4.0
199.07504	7.5
200.08310	5.3
201.09102	31.4
203.07016	20.7
205.05132	3.1
205.08614	22.6
211.07513	14.2
213.05518	5.1
213.09023	4.9
214.06227	3.9
215.07091	6.7
215.10599	16.1
217.08560	17.0
219.10178	8.6
221.08034	4.3
225.09131	7.0
229.08568	40.2
231.06421	3.4
231.10123	4.2
233.08101	21.6
243.10150	22.4
245.08102	5.5
247.09676	8.3
247.87889	2.8
255.04123	3.2
259.09680	9.4
261.11218	10.5
264.04852	3.8
271.09845	4.6
286.10693	6.2
289.10733	14.5
289.18130	5.5
307.06232	26.1
307.11862	38.9
307.26346	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	307.1284
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01852	1.4
56.96541	0.4
57.03423	0.5
67.05499	0.5
68.99786	0.4
69.03415	0.8
69.07057	0.7
70.06575	0.8
70.21866	0.5
70.22279	1.2
72.08121	0.3
76.02225	0.4
79.05468	0.8
81.03426	0.4
81.07037	1.0
83.04973	0.5
84.04435	0.4
84.08116	0.5
85.02884	1.3
86.09679	0.9
91.05460	1.1
93.07014	0.9
94.06563	0.6
95.04935	0.9
95.08566	0.7
96.04487	0.4
97.02909	0.5
97.06546	0.4
98.06033	0.9
98.97583	0.6
98.98446	0.6
99.04453	0.8
101.32540	0.3
103.03938	0.9
103.05483	0.3
105.07015	1.1
107.08582	0.8
108.04452	0.9
109.02832	0.7
109.06485	0.5
116.98634	0.4
119.04887	0.4
119.08594	0.6
121.02834	1.2
121.06530	0.4
121.10146	0.4
122.06018	1.8
123.04404	1.2
124.07549	0.7
127.03896	1.3
127.11137	0.6
129.06982	0.6
131.08559	0.6
132.08066	0.6
133.06487	0.4
133.10098	0.7
135.08041	1.6
135.09007	0.3
136.07515	0.8
137.05997	0.5
139.03883	1.7
139.44292	0.3
140.07043	2.0
143.08467	0.5
145.04987	0.3
146.05934	0.6
146.09631	0.5
147.04372	2.8
148.07574	1.0
150.09148	0.4
151.07471	0.6
153.01808	1.6
155.01028	0.5
155.08557	0.5
157.10197	0.4
159.07954	0.4
160.07526	1.7
161.05919	0.4
162.09079	0.7
163.03923	0.7
163.08669	1.1
168.06534	1.4
170.09605	0.7
172.07510	0.4
173.07086	0.4
174.09100	2.5
177.05359	0.7
177.10191	1.5
178.08609	13.6
182.08150	0.8
182.09581	0.4
184.07552	1.6
186.09152	0.5
187.08669	1.4
188.07030	2.9
188.10806	0.4
190.08661	0.5
191.08130	0.8
196.09689	0.8
198.09187	1.7
201.06541	0.5
201.10237	3.0
202.08618	5.4
204.10214	0.8
205.04993	1.9
205.09702	3.7
206.08089	2.7
207.06412	0.8
212.07079	0.8
215.08170	0.4
215.11772	0.6
216.10301	2.5
217.04924	2.5
217.09608	0.6
219.07751	1.0
219.11230	4.9
220.09750	2.2
226.08617	2.0
228.10220	0.6
229.09735	4.3
230.08121	3.3
233.04489	1.9
235.05974	2.1
235.10561	0.4
237.03769	0.4
243.11278	1.6
244.09648	3.5
245.04417	1.9
247.10756	11.8
248.09160	0.9
254.08173	0.9
261.03885	4.5
261.12335	1.2
262.10583	2.1
265.11801	11.6
271.10727	1.5
272.09109	1.4
289.03381	3.3
289.11771	15.0
290.10028	0.6
307.04550	3.6
307.12836	100.0
308.13300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01867	12.7
55.05505	44.3
57.03429	35.3
67.05164	2.7
67.05497	39.9
69.03418	4.5
69.07055	10.7
69.89254	2.5
70.04057	2.5
70.04499	2.0
70.34806	11.3
76.58763	2.5
79.05485	34.9
81.03396	3.8
81.07047	27.1
83.04967	7.3
83.08611	17.4
91.05462	20.9
93.07024	17.5
95.04944	7.2
95.08582	8.8
97.06532	3.8
97.10164	29.5
105.03380	6.7
105.06366	2.8
105.07018	17.6
107.04929	19.5
107.08588	23.6
109.06500	9.2
109.10139	9.5
111.08060	3.8
115.05450	2.5
117.07033	17.9
119.08556	20.2
121.02862	2.4
121.06522	12.9
121.10123	5.9
123.04422	2.9
123.08028	3.8
125.09626	23.1
128.06148	3.5
129.06958	4.7
131.04956	2.2
131.08540	10.7
133.06461	3.1
133.10130	5.9
135.08009	18.0
137.09599	7.1
139.03847	7.4
141.06985	3.1
143.08525	5.7
145.06465	5.8
145.10138	7.8
147.08051	7.9
147.11609	3.4
149.09644	4.1
153.09087	10.0
157.10126	2.9
159.08025	61.1
159.11638	5.1
161.09642	3.6
163.07487	6.6
169.10065	4.3
169.99808	3.0
171.10204	2.3
171.11594	4.5
173.09624	8.9
173.13278	3.2
175.11211	2.7
177.09149	4.4
183.11751	3.4
185.09598	5.0
187.11119	2.4
187.14795	3.9
189.11186	8.0
193.12144	3.8
197.13271	3.4
215.14401	11.2
216.25471	2.4
225.12866	2.6
233.15329	17.5
243.17458	7.7
253.15909	7.8
261.18427	6.2
271.16919	34.8
289.17938	100.0
307.20163	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	10.2
53.99842	1.5
55.01855	14.6
55.05504	52.4
56.96549	3.6
57.03429	30.1
57.07066	2.6
61.17968	1.6
61.58421	1.5
65.03918	4.8
67.05495	66.0
69.03410	8.4
69.07058	21.1
69.99026	8.4
71.04990	9.9
79.05483	53.8
79.05955	3.2
79.11968	1.5
81.03406	15.9
81.07043	57.8
82.69386	1.6
83.04971	31.8
83.08608	24.6
85.06524	4.6
86.09686	6.0
91.05465	69.2
93.06462	3.5
93.07030	68.2
95.04959	42.6
95.08598	41.0
97.06509	29.8
97.10157	29.4
99.04456	2.6
99.08084	2.6
103.05481	4.6
104.10705	1.9
105.03374	29.4
105.07009	47.9
107.04938	25.3
107.08582	42.5
109.02849	2.3
109.06509	24.5
109.10148	19.6
111.04435	11.8
111.08064	14.4
113.05988	5.0
115.05444	6.9
117.06998	31.5
118.74423	1.7
119.04905	4.3
119.08566	60.5
121.02841	4.2
121.06477	23.9
121.10114	15.1
123.04402	5.6
123.08040	8.6
123.11687	3.3
124.99977	5.0
125.05963	1.9
125.09620	29.7
127.07556	2.5
127.48972	1.7
128.06226	8.6
129.06979	14.8
130.07751	3.8
131.04887	5.0
131.08543	36.6
133.06471	15.9
133.10115	42.2
135.08028	31.0
135.11646	3.4
137.05936	9.5
137.09586	6.9
139.03862	10.1
139.07494	3.1
141.06984	7.0
142.07733	5.5
143.08549	22.0
144.05690	1.8
144.09358	2.1
145.06458	12.9
145.10115	19.0
147.08025	13.7
147.11687	9.9
149.09598	27.9
149.13223	2.1
151.07544	3.5
151.11108	6.8
153.06929	3.2
153.09085	6.7
154.07779	4.6
155.08537	10.6
156.09305	5.7
157.06584	2.2
157.10104	14.9
158.10698	2.7
159.08041	26.5
159.11665	11.5
161.06004	2.6
161.09569	13.4
161.13214	2.6
163.07527	8.9
163.11104	4.6
163.14761	2.6
165.09090	5.0
165.12717	2.8
167.08528	7.9
167.10631	2.7
168.09258	2.7
169.10101	15.3
169.12341	2.6
170.10841	2.0
171.11687	10.5
173.09616	11.6
173.13242	7.3
175.11151	7.2
177.09079	14.1
179.04771	2.0
179.08533	5.2
179.10576	2.9
181.10095	6.5
182.10876	8.6
183.11647	11.5
184.07291	4.1
184.12439	2.2
185.09604	2.8
185.13191	3.4
187.11130	7.2
187.14850	3.3
189.11191	23.9
189.12703	3.3
191.10658	5.1
191.14267	2.4
193.10109	7.4
193.12076	3.2
194.10857	2.9
195.10121	7.2
195.11697	5.5
196.12459	3.0
197.13249	11.9
198.13911	2.4
199.11090	2.3
199.14848	2.5
201.12770	2.8
206.10907	3.3
207.11699	9.5
208.12424	2.5
209.13174	6.6
211.14766	5.6
213.11150	2.8
215.14308	6.8
215.17986	2.5
217.12128	2.7
219.11729	3.7
219.13780	4.4
221.13203	6.8
223.14723	7.0
225.16313	4.4
227.14238	2.7
229.15869	1.8
231.11658	2.2
233.13353	3.0
233.15245	8.5
234.13797	1.7
235.15025	2.5
237.16455	3.3
240.09837	4.5
243.17389	6.1
247.23560	1.7
248.15636	3.1
251.14174	3.4
253.15952	5.0
259.14847	3.6
260.15570	1.7
261.18469	19.0
263.17899	7.8
265.18158	2.8
271.16904	31.9
274.17123	2.4
275.19916	2.6
279.21036	2.7
286.63629	3.5
289.17902	100.0
290.18347	3.4
292.18369	2.1
307.09543	4.3
307.18784	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.19
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.69006	3.2
53.03933	3.9
54.76763	3.2
55.01860	22.5
55.05301	3.5
55.05505	38.6
57.03431	70.6
57.07062	3.5
59.58965	3.5
62.67403	3.3
65.03915	5.8
66.76184	3.3
67.05496	63.4
69.03411	5.8
69.07058	28.8
70.67056	11.4
71.04970	8.5
79.05486	52.6
81.03398	7.8
81.07047	63.3
82.58289	3.1
83.04482	3.7
83.04972	75.1
83.08591	13.9
85.06550	6.8
87.18449	3.3
91.05469	66.5
93.07031	60.8
95.04978	24.5
95.08589	43.2
97.06506	22.9
97.10144	9.7
98.21046	5.5
99.04431	9.5
99.08002	5.7
105.07018	52.0
107.04941	91.9
107.08580	44.4
108.05715	4.5
109.06521	36.2
109.10141	16.3
111.04434	35.9
111.08080	8.7
115.05439	5.2
117.07008	21.0
119.08569	36.5
121.06496	24.9
121.10103	17.3
123.04430	6.3
123.08028	8.7
123.11695	3.2
124.81685	3.3
125.05952	9.4
125.09618	11.4
128.06168	4.5
129.06984	11.0
131.08549	28.4
133.06467	10.5
133.10120	25.0
135.04436	4.5
135.08025	29.4
135.11674	14.1
137.05969	59.9
137.09596	11.0
138.06296	46.3
139.03853	19.6
139.07480	4.7
139.11134	4.0
141.06987	6.5
143.08543	8.7
145.06485	7.2
145.10124	25.5
147.08041	13.7
147.11652	15.3
149.05992	13.6
149.09601	14.6
149.13211	7.1
151.07489	5.0
151.11235	5.2
153.09137	6.2
155.08478	11.6
157.10091	9.9
159.08023	17.4
159.11664	13.4
161.09572	11.9
161.13272	7.8
163.07524	7.0
163.11137	15.1
165.12689	11.1
166.13092	11.6
169.10089	8.5
171.11656	13.0
173.09581	9.9
173.13239	12.0
175.11255	5.5
177.09081	7.9
177.12669	26.0
178.13455	4.8
179.14171	4.1
183.11591	6.1
185.09439	4.5
187.11153	3.7
187.14789	10.1
189.12692	6.2
197.13130	6.5
203.12830	4.2
205.15829	14.4
215.14304	7.3
219.14127	3.8
233.15352	42.4
239.17863	4.5
243.17404	13.5
253.15790	7.1
257.19055	4.8
261.18488	28.3
271.16888	36.3
275.20038	37.2
289.17993	100.0
289.21292	8.6
290.21912	18.6
295.96814	3.8
307.18973	9.7
307.22308	11.6
307.24609	13.6
313.02362	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	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01873	30.7
55.05502	47.4
56.96557	4.1
57.03433	75.1
57.07070	5.4
60.16443	4.0
65.03923	6.5
67.05497	77.4
68.35818	4.1
69.03423	6.2
69.07056	27.9
70.22009	5.1
70.22344	19.3
71.04988	4.5
79.05487	58.6
81.03411	6.8
81.07051	71.2
83.04976	66.5
83.08617	18.7
85.02908	3.6
85.06526	10.6
91.05473	70.5
93.07042	57.8
95.04971	32.2
95.08602	59.7
97.06519	35.2
97.10172	13.5
98.21468	5.0
98.80607	4.4
99.04436	8.8
105.07019	58.7
107.04945	75.4
107.08591	58.0
109.06500	54.0
109.10155	23.5
110.06859	5.5
111.04431	46.7
111.08067	6.8
113.06056	5.6
115.05451	8.3
117.07041	26.1
119.08572	43.3
120.08775	5.5
121.02865	11.3
121.06491	23.1
121.10172	29.9
123.04467	11.5
123.08073	10.8
123.11739	6.7
125.06002	12.1
125.09580	11.2
127.07661	4.2
129.06966	14.6
131.08562	29.2
131.13882	4.5
133.06485	17.3
133.10118	29.1
135.08034	31.5
135.11664	13.5
137.05972	59.0
137.09589	13.9
138.06310	38.7
139.03908	24.0
141.07045	5.5
142.07794	5.9
143.08578	16.4
145.06477	11.1
145.09128	4.1
145.10097	23.2
147.08032	18.7
147.11688	18.7
149.05957	15.1
149.09618	23.8
149.13283	7.1
151.07576	6.2
153.09088	5.0
155.08534	14.5
157.10158	8.7
159.08005	21.7
159.11673	18.7
161.09639	14.5
161.13263	8.9
163.07578	17.2
163.11154	24.4
165.12750	18.6
166.13145	21.2
169.10147	9.1
171.11670	11.9
173.09619	12.3
173.13219	8.8
174.13525	5.2
175.11156	7.7
177.09138	5.0
177.12762	24.6
182.59114	4.0
183.11678	5.2
185.09596	4.2
187.11250	7.0
187.14845	5.3
189.12755	8.9
197.13271	10.2
201.09132	4.4
201.12706	6.4
203.12759	8.2
205.15889	18.1
215.14304	9.5
217.12262	8.7
219.13608	4.0
225.16388	6.1
229.19395	5.6
233.15337	39.1
234.04514	4.0
239.17995	5.6
243.17505	14.6
247.20776	4.9
253.15894	4.9
257.19006	10.1
261.18463	33.3
271.16895	26.8
275.20062	56.8
289.18008	100.0
289.21274	9.9
290.18536	8.8
290.21957	24.6
307.19199	8.1
307.22464	18.3
307.24771	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	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03925	7.2
55.01862	15.7
55.05505	40.7
55.93515	4.5
56.96554	3.4
57.07039	4.1
65.03885	3.1
67.05173	3.1
67.05501	41.8
68.05801	4.4
69.03407	5.3
69.07054	21.5
71.04957	4.1
71.08622	3.8
71.61711	2.8
71.62164	4.0
71.92998	2.7
79.05483	44.5
81.03394	12.1
81.07039	66.7
83.04971	52.0
83.08583	12.3
85.06523	6.0
91.05460	43.5
91.50080	2.6
93.07040	36.1
95.04954	23.8
95.08585	36.2
97.06519	16.7
97.10123	10.0
98.06030	8.5
98.98500	3.0
99.08065	5.2
103.05403	4.1
105.07016	40.1
107.04952	14.9
107.08576	34.5
109.06496	33.8
109.10143	16.0
111.04419	6.5
111.08034	7.0
117.06982	18.2
119.08559	32.9
121.02860	5.6
121.06488	18.4
121.10104	11.6
123.04376	4.7
123.07991	8.8
123.11637	3.2
125.09576	7.2
128.06149	4.2
129.06975	8.6
131.08545	20.8
133.06496	4.8
133.10112	21.0
135.04391	4.0
135.08006	12.4
135.11676	8.7
137.05972	16.0
137.09613	8.7
138.06261	5.9
139.03889	6.3
143.08524	7.0
145.06445	6.3
145.10091	12.9
147.08032	20.6
147.11633	12.1
149.05957	3.8
149.09572	13.2
149.13174	6.7
151.07600	3.4
151.11142	5.6
153.09000	4.1
157.10165	6.0
159.08008	13.5
159.11646	13.6
161.09587	8.3
161.13182	6.3
163.07480	10.5
163.11111	6.5
165.12718	32.2
169.10121	6.9
171.11696	5.4
173.09581	7.0
173.13165	7.8
175.11104	8.2
177.08998	3.2
177.12732	8.6
183.11661	4.8
185.09610	4.1
187.11107	8.7
187.14807	5.3
191.14278	3.4
197.13168	3.7
203.12733	3.6
205.12132	5.6
207.13803	7.3
211.14639	3.9
219.17387	3.4
233.11661	11.7
233.15372	4.9
233.77452	2.8
238.66570	3.4
243.17343	6.7
247.16663	3.5
251.16357	5.4
253.15863	7.4
261.18387	7.5
266.07117	3.6
267.06760	4.6
271.16891	42.4
275.20044	30.2
284.07993	6.1
285.07761	5.4
288.64954	3.1
289.17914	55.7
289.21497	18.4
290.18097	4.2
302.04681	3.1
307.09570	5.5
307.18939	21.1
307.22598	49.6
307.28149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03927	1.4
55.01856	2.1
55.05257	0.7
55.05503	9.4
57.03424	1.4
57.07064	1.1
59.04975	2.5
67.05163	1.1
67.05494	15.6
69.07059	8.9
69.48545	5.8
71.04981	7.4
73.06541	1.3
79.05481	16.7
81.03446	0.8
81.07045	18.5
83.04946	2.2
83.08620	5.5
84.97338	0.6
85.06528	3.1
87.04435	1.4
87.08089	0.8
91.05469	21.6
93.07032	21.3
95.04959	4.1
95.08038	0.9
95.08593	13.2
97.06502	6.7
97.10141	2.7
99.08067	1.8
105.03365	1.2
105.07014	29.7
107.04938	1.1
107.08578	14.3
109.06496	10.3
109.10147	7.7
110.07277	1.2
111.08070	2.4
113.09618	0.8
115.05406	0.9
117.07004	7.4
119.08559	24.2
120.08881	0.7
121.02853	1.9
121.06476	5.2
121.10120	8.8
122.07211	0.9
123.08057	8.4
123.11673	1.7
125.09592	2.0
129.06979	2.0
130.07823	0.7
131.08543	10.8
133.10104	17.0
135.08051	6.2
135.11687	4.8
137.09608	7.7
139.03903	1.1
139.11139	1.7
141.06944	1.1
143.08545	2.1
145.10100	10.6
147.08043	1.5
147.10484	0.8
147.11658	16.4
149.09592	5.3
149.13223	1.8
151.11159	10.3
155.08466	1.4
157.10114	2.8
159.08005	1.3
159.11696	5.6
161.09586	1.2
161.13278	3.8
163.11174	7.1
165.12724	8.6
166.00580	0.7
169.10069	1.4
170.05043	0.8
171.11687	2.7
173.09579	0.7
173.13220	4.5
175.11259	0.9
175.14775	1.2
177.12791	2.9
179.14273	2.2
183.11664	2.2
185.13242	1.2
187.11200	0.8
187.14746	1.5
189.12756	1.1
191.14284	1.6
197.13249	2.5
201.12767	0.9
211.14760	1.1
215.14343	0.8
219.71783	0.6
229.19507	4.8
233.15334	1.3
233.19144	1.0
239.17970	7.5
247.20599	3.9
249.18491	1.5
257.18979	9.6
261.18427	0.7
265.17990	0.9
271.16959	0.9
275.20026	45.7
276.20398	2.7
277.63205	0.7
289.17999	2.1
289.21426	1.5
307.22626	100.0
308.22980	5.1
311.09958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	1.8
55.01858	4.5
55.05259	1.4
55.05502	19.7
57.03431	6.0
57.07057	3.7
59.04976	3.7
65.03922	2.9
67.05497	41.6
69.03421	5.5
69.06714	1.6
69.07056	20.1
69.54636	3.7
69.55069	4.0
71.01328	0.9
71.04984	34.6
73.06532	2.5
73.28276	0.9
75.22297	0.8
79.05482	36.9
81.03401	6.5
81.07046	59.8
82.07372	1.0
83.04960	3.7
83.08606	7.7
85.02878	1.0
85.06522	3.9
87.04458	1.2
91.05470	32.0
93.06458	1.9
93.07030	32.1
94.04180	0.9
95.04966	8.7
95.08591	25.5
97.06518	14.2
97.10168	4.7
99.04432	4.5
99.08086	8.0
103.05453	1.5
105.07016	31.0
107.04942	9.5
107.08586	26.2
108.05740	1.3
109.06508	20.0
109.10130	12.3
110.07333	1.2
111.04426	93.6
111.08066	6.1
111.11716	1.3
112.04786	1.5
113.05964	1.2
113.09618	1.7
115.05439	1.7
117.07008	8.1
119.08568	23.8
121.06492	8.3
121.10120	16.5
123.08054	14.2
123.11702	6.0
124.08836	1.6
125.05982	8.6
125.09599	9.0
128.06232	1.4
129.06995	2.9
131.08557	12.9
133.06529	1.8
133.10117	17.6
134.10379	1.0
135.08061	5.7
135.11671	8.6
137.05959	1.7
137.09587	8.8
139.03799	0.9
139.07526	2.4
139.11140	0.9
141.06973	1.4
143.08546	3.1
145.10109	10.2
147.08037	1.8
147.11665	13.2
149.09579	8.8
149.13226	3.4
151.11143	7.1
153.09044	1.9
153.39670	0.8
153.57178	0.8
155.08510	1.0
157.10078	2.7
159.11642	7.9
161.09605	3.4
161.13234	6.3
163.07556	1.2
163.11131	4.2
163.14771	1.4
165.12740	4.8
167.10663	1.1
169.10046	2.2
171.11636	5.7
173.11801	1.6
173.13130	4.5
175.11223	1.1
175.14767	2.5
177.12782	2.0
183.11629	1.8
185.13211	1.2
187.11212	2.2
187.14815	1.7
189.12813	1.2
189.16356	1.0
197.13237	1.2
201.12802	2.5
203.12697	1.9
203.14403	1.4
229.19553	3.1
231.17290	0.9
239.17931	3.1
243.17261	1.0
247.20506	4.8
257.18985	5.6
275.20029	43.3
276.20392	2.2
279.23209	3.6
289.18375	1.3
289.21552	6.4
307.22632	100.0
308.23007	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.32133	0.8
53.03940	3.7
54.43523	0.6
55.01866	4.6
55.05509	9.8
57.03421	2.3
57.07066	2.0
61.26517	0.7
65.03938	1.0
67.05502	22.2
69.03425	1.3
69.07063	9.9
70.76808	1.3
70.77141	0.8
71.05013	1.6
73.06557	0.6
79.03567	0.6
79.05486	32.7
81.03412	5.0
81.07050	100.0
82.07385	1.7
83.04968	4.1
83.08618	7.4
85.06538	2.7
91.05476	13.8
93.07038	17.0
94.07397	0.8
95.04967	9.1
95.08593	12.7
97.06512	6.4
97.10169	1.4
99.08073	1.7
105.07025	14.8
107.04945	4.7
107.08579	12.6
109.06509	50.1
109.10152	6.0
111.04459	0.8
111.08093	2.4
117.06992	5.0
119.08578	12.8
121.06505	3.7
121.10119	8.6
123.08073	5.8
123.11711	3.0
124.76925	0.6
125.09636	1.1
129.07021	1.5
131.08580	6.8
133.06465	1.3
133.10117	12.5
135.08080	2.6
135.11665	4.0
137.05957	1.4
137.09639	2.4
138.06294	1.2
143.08560	2.1
145.06490	1.2
145.10098	7.4
147.08023	1.4
147.11676	11.0
149.09615	5.5
149.13232	6.9
151.11145	3.4
155.01018	1.1
155.08635	1.1
157.10153	2.3
159.08127	0.7
159.11664	6.7
161.09656	1.3
161.13249	2.0
163.07382	0.8
163.11131	4.8
163.14859	2.8
165.12747	3.6
169.10185	0.9
171.11656	1.7
173.09529	1.1
173.13208	3.3
175.11140	3.4
175.14853	1.2
177.12738	1.2
177.16302	0.8
179.14386	1.5
183.11748	1.7
185.13136	0.8
187.11186	1.3
187.14810	1.2
189.12695	1.4
191.14346	0.8
193.12187	3.6
197.15315	0.7
201.12663	0.8
205.12227	1.2
207.13811	1.2
213.03894	0.6
217.15982	0.9
219.13843	1.5
229.19547	3.8
239.17961	2.1
247.20564	4.8
257.18976	4.7
275.20044	54.7
276.20517	3.0
289.18048	2.2
289.21716	1.8
307.17319	0.9
307.22656	20.7
308.23032	1.4
308.29599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03928	1.6
55.01879	4.1
55.05502	13.0
57.03413	2.7
57.07048	2.6
59.04981	1.3
59.24690	0.8
60.65535	0.9
65.03922	1.9
67.05495	28.3
69.03411	2.4
69.06715	1.6
69.07056	20.0
69.39153	7.9
71.04991	1.7
73.89996	0.8
79.05477	16.3
81.03387	1.3
81.07047	32.5
82.19006	0.7
82.59142	1.0
83.04971	5.7
83.08602	5.4
85.06527	2.0
91.04952	1.5
91.05473	19.1
93.06461	1.3
93.07036	25.8
94.07398	1.1
95.04948	9.7
95.08035	1.5
95.08595	18.9
97.06530	5.1
97.10155	3.4
97.94907	0.9
98.21358	3.1
104.41822	0.9
105.07014	25.5
107.04933	7.4
107.08587	15.8
109.06500	11.5
109.10150	11.3
111.08071	2.0
117.06997	6.3
119.08572	13.0
121.02819	1.1
121.06487	10.2
121.10119	9.0
123.08054	7.4
123.11677	3.0
125.09589	1.2
129.06999	2.4
131.08545	14.7
133.06459	2.1
133.10115	20.8
135.08054	5.8
135.11636	4.9
137.06003	1.3
137.09599	3.8
139.07486	1.0
139.11122	0.8
140.71944	0.9
141.06938	1.6
143.08525	3.6
143.26588	0.8
145.06439	2.0
145.10101	10.5
147.08011	3.1
147.11659	12.8
149.09583	5.3
149.13194	3.3
151.11194	9.2
153.08940	1.1
155.08524	1.9
157.10088	2.8
159.08002	1.8
159.11688	7.0
161.09590	2.7
161.13222	3.0
163.11169	5.8
164.31952	0.8
165.09094	1.0
165.12712	2.0
169.10081	1.8
171.11655	2.6
173.09605	1.5
173.13240	5.4
175.11137	3.2
175.14848	1.2
177.12735	3.2
183.11690	2.5
187.11143	2.1
187.14757	1.5
189.12827	1.1
191.14265	3.7
193.12184	1.0
197.13249	1.5
201.12704	3.0
203.14394	1.3
207.13765	3.9
215.17923	1.9
219.13770	7.9
229.19484	3.2
233.15320	1.6
237.14960	1.0
239.17931	3.8
247.20567	3.7
249.18475	1.3
257.19009	14.2
275.20029	100.0
276.20343	4.3
289.18335	1.7
289.21606	4.9
307.22620	59.0
307.31058	1.6
308.23016	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.0
55.01611	2.5
55.01865	29.5
55.05508	17.2
57.03436	7.9
65.03933	3.0
67.05496	46.9
67.38975	1.3
69.03427	1.6
69.07062	41.3
71.04979	2.4
71.35751	1.5
71.36105	3.1
79.05479	40.7
81.03406	34.1
81.07045	100.0
83.04966	13.7
83.08585	8.6
85.06537	6.9
91.05467	46.6
92.32312	1.6
93.07032	45.1
95.01331	6.6
95.04960	14.3
95.08591	40.0
97.06514	62.1
97.10144	3.5
98.21150	2.4
99.04435	1.8
99.08068	3.7
105.07020	70.5
107.04945	23.3
107.08583	24.1
109.06509	20.4
109.10150	8.3
111.04362	1.8
111.08079	6.0
115.05412	2.1
117.06997	17.3
119.08558	34.0
121.06483	6.6
121.10135	8.4
123.04401	2.9
123.08057	10.2
123.11729	2.9
125.09637	4.4
129.07037	2.4
131.08545	23.0
133.06435	1.9
133.10115	38.6
133.11066	2.6
135.08043	6.1
135.11676	18.9
137.09554	3.7
139.07507	4.3
141.07002	2.3
143.08560	3.8
145.06473	2.9
145.10109	18.4
147.11655	14.9
149.09576	13.8
149.13275	10.7
151.11218	3.8
157.10115	4.2
158.51357	1.5
159.07986	1.8
159.11674	18.9
161.13240	6.5
163.11169	5.9
165.09044	3.7
165.12717	3.0
169.10106	4.4
171.11746	3.6
173.13228	3.4
177.12715	16.4
179.14268	13.6
183.11687	4.0
185.13248	2.6
187.11177	8.0
187.14795	2.5
203.14250	1.8
205.12201	2.6
209.15372	4.6
215.17889	2.3
219.13696	1.4
219.17419	25.5
229.19577	2.4
239.17841	4.3
247.20541	6.3
257.18967	7.8
260.33463	1.6
275.20032	88.6
284.97809	1.9
307.22610	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	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.02385	1.4
53.03940	3.7
55.01656	1.1
55.01868	12.4
55.05259	2.3
55.05504	29.1
55.18040	1.1
56.05851	1.6
57.03419	4.7
57.07063	3.0
59.04976	3.1
65.03922	2.5
66.67972	1.1
67.05497	49.2
68.05841	2.6
69.03414	3.6
69.07060	21.4
70.07391	1.3
70.24432	3.6
70.24850	2.7
70.28299	1.1
71.04986	15.2
73.06532	1.7
79.05482	40.4
79.12173	1.0
81.03404	2.9
81.07048	44.8
82.07378	2.6
83.04962	6.0
83.08611	13.0
85.05276	1.6
85.06535	5.4
85.38056	1.0
91.05467	32.6
93.06461	2.0
93.07035	32.7
94.07366	1.4
95.04967	9.1
95.08592	31.1
96.08128	1.1
97.06522	20.8
97.10155	11.7
98.06046	9.9
98.20805	1.6
99.04435	1.2
99.06373	3.2
99.08073	15.8
102.29961	1.1
105.07014	42.4
107.04945	7.1
107.08582	53.8
108.08921	1.5
109.06506	21.3
109.10137	18.5
111.04438	5.9
111.08066	4.2
112.07586	1.6
115.05469	1.7
117.07010	9.0
119.08563	32.2
121.06498	9.3
121.10125	14.7
123.08054	6.9
123.11703	3.0
125.05994	2.1
125.09605	14.8
129.06976	3.4
131.08571	13.2
133.10112	28.5
134.10463	1.4
135.08047	9.0
135.11693	7.7
137.05952	5.3
137.09596	11.3
137.13206	1.8
138.06313	2.2
139.03960	1.9
139.11223	1.7
141.06978	1.6
143.08597	2.6
145.06448	1.7
145.10106	14.6
147.08061	1.3
147.11668	16.4
148.11954	1.1
149.09595	14.9
149.13179	2.9
151.11159	6.5
153.09058	3.3
155.08548	1.5
155.10660	1.6
157.10094	3.6
157.12225	1.1
159.08101	1.4
159.11659	10.3
161.13167	5.6
163.07568	2.0
163.11185	6.5
165.09062	1.6
165.12764	7.0
171.11696	5.0
173.11713	9.1
173.13264	6.5
175.11177	2.5
175.14801	1.2
177.12743	5.1
179.14262	1.3
180.73831	1.2
183.11618	2.7
185.13246	1.6
187.13295	2.0
187.14798	1.6
193.12280	2.2
197.13298	1.4
201.12743	1.7
203.12762	12.2
207.13649	1.6
213.14799	1.3
229.19470	3.6
233.15356	3.7
239.17911	6.1
247.20540	5.6
257.18945	11.4
269.67548	1.1
271.16980	2.8
275.20026	71.3
276.20370	3.9
283.33435	1.1
285.10101	2.0
289.17953	7.2
289.21548	9.5
307.22626	71.7
307.28192	100.0
308.22974	3.4
320.84665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03942	3.0
55.01868	28.2
55.05506	24.3
57.03423	4.2
57.07064	2.3
65.03929	2.5
67.05496	48.7
69.03409	4.1
69.05562	1.5
69.07063	19.8
69.66216	13.7
71.04983	3.3
79.05486	34.5
81.03404	5.4
81.07046	77.2
83.04974	6.5
83.08618	11.1
85.06551	4.0
91.05468	30.9
93.07027	38.9
95.04961	31.2
95.08595	40.4
97.06521	46.1
97.10156	7.3
98.20737	3.4
98.21331	3.9
105.07020	35.6
105.07668	3.4
107.04956	11.5
107.08582	26.9
109.06504	14.0
109.10133	14.3
111.04469	2.3
111.08110	4.1
117.07008	10.9
119.08559	30.5
121.02885	2.4
121.06499	7.1
121.10130	20.3
122.18421	1.6
123.08054	11.3
123.11702	8.1
124.68909	1.7
125.09637	9.1
129.07011	3.4
131.08569	19.7
133.10106	26.8
135.08038	7.5
135.11668	9.0
137.09633	10.7
137.13249	4.7
138.06369	1.7
139.07559	2.9
139.11224	2.4
141.07016	1.9
143.08453	3.8
145.10107	15.6
147.08047	3.1
147.11665	16.7
149.09586	20.6
149.13216	5.8
151.11179	4.9
153.09126	2.1
157.10110	4.9
159.11688	11.4
161.09613	2.5
161.13261	6.6
163.11172	17.0
165.09143	3.3
165.12732	7.0
169.10153	3.3
171.11673	4.2
173.13258	10.5
175.11224	4.2
177.12729	3.8
183.11720	3.5
185.13277	1.9
191.14340	2.6
193.12285	2.9
203.12692	2.3
205.12198	2.7
229.19562	4.4
237.14828	2.6
239.17912	4.2
247.20551	9.2
255.20169	1.7
257.18951	14.7
261.67426	1.9
275.20038	100.0
276.20386	6.2
289.18228	4.3
289.21594	17.3
307.19263	2.6
307.22650	39.4
307.26001	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03923	1.6
55.01853	2.5
55.05507	23.4
57.07072	9.0
59.04977	2.2
65.08030	1.2
67.05500	25.0
69.03419	5.0
69.07062	78.2
70.11340	6.1
71.04977	5.7
78.57124	1.2
79.05484	17.2
81.07049	100.0
82.07395	1.8
83.04975	3.1
83.08611	22.0
85.06541	11.1
88.79585	1.2
91.05457	12.0
93.06454	2.5
93.07035	41.8
95.04972	6.7
95.08598	56.9
97.06543	8.0
97.10152	7.2
98.21421	2.1
99.08089	3.5
105.07022	64.0
106.21124	1.3
107.08585	36.0
109.06506	13.0
109.10140	32.8
111.08076	8.5
111.11716	13.9
117.07002	2.3
119.08573	27.6
121.10133	62.2
122.10506	1.4
123.08028	5.2
123.11699	46.6
124.12023	1.3
125.09630	3.1
125.13281	1.8
127.03905	1.7
127.07545	1.7
131.08533	3.1
133.10107	6.7
135.07993	2.3
135.11662	13.0
135.13573	1.2
137.09651	2.9
137.13225	10.3
139.03883	5.1
139.11151	17.3
145.10121	6.0
147.11676	41.2
149.13245	17.2
151.11159	6.4
151.14807	2.3
153.12759	11.1
154.37033	1.3
159.11682	3.5
161.13275	6.3
163.14806	5.6
165.11357	2.8
165.12750	57.0
167.14317	8.9
173.13281	2.1
175.14812	3.3
177.16360	2.2
179.14264	1.2
183.13799	4.2
187.14809	3.2
189.16408	3.7
193.15858	1.9
201.16234	2.1
203.18011	1.9
215.17979	3.5
233.18985	1.8
245.22655	3.9
250.35110	1.4
265.89975	1.4
271.24231	7.1
277.25302	3.3
277.74628	1.5
285.10104	1.4
289.17944	3.1
289.25244	34.7
290.25772	1.5
294.65851	1.5
307.26300	62.2
308.26633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.50011	0.7
53.03925	1.6
55.01867	1.7
55.05253	1.1
55.05503	16.5
56.96557	8.3
57.03437	1.2
57.07067	5.7
59.04982	2.2
65.03913	1.1
65.48837	0.7
67.05170	0.9
67.05498	15.1
69.03418	6.8
69.07059	100.0
70.07383	1.3
70.65907	2.7
71.04979	3.2
71.08616	2.3
72.28011	0.7
72.78756	0.7
73.02902	1.2
79.05484	9.1
81.03383	2.7
81.07046	54.8
83.04952	3.0
83.08605	10.8
85.02892	4.4
85.06535	6.8
91.05465	6.7
93.06470	1.4
93.07034	23.5
95.04963	4.0
95.08592	38.4
97.02892	1.2
97.06514	8.1
97.10168	6.1
99.04433	2.3
99.08070	1.1
101.06004	1.2
103.03929	3.5
105.07011	20.9
107.04929	1.0
107.08585	20.0
109.02856	1.1
109.06512	5.3
109.09441	1.5
109.10136	19.9
111.04427	0.9
111.08064	5.7
111.11707	27.0
113.09526	0.8
117.06992	1.3
119.08553	11.2
121.06480	2.7
121.10127	25.6
122.20422	0.9
123.08037	2.8
123.11696	22.4
124.12048	0.8
125.09595	4.6
125.13245	1.8
127.03913	4.6
127.11129	1.1
131.08548	1.1
133.10126	6.4
135.07986	1.8
135.11668	8.1
137.09590	1.3
137.13222	6.0
139.03891	7.2
139.11163	27.7
145.04942	1.6
145.10130	2.2
147.11676	14.8
149.09578	1.1
149.13237	9.8
150.13503	0.9
151.11174	4.4
151.14763	2.5
153.12735	3.8
157.01689	1.1
159.07988	1.0
159.11671	2.5
161.13271	5.0
163.11159	0.8
163.14789	4.3
165.12735	16.6
167.14240	1.7
171.03261	1.1
173.09470	1.0
173.13255	2.5
175.14783	4.3
177.12698	1.2
177.16348	3.1
183.13722	1.1
185.04826	2.5
187.14836	2.2
189.16380	2.2
191.17929	2.1
201.16335	1.3
203.05818	4.1
203.17943	1.8
205.15833	1.2
215.17944	2.3
221.06894	1.1
229.07344	1.1
231.06934	0.9
231.21005	1.6
237.07848	1.0
245.22653	2.1
249.07968	1.5
259.24246	1.6
267.09003	26.8
271.16843	0.9
271.24173	5.1
277.25272	3.5
284.06500	1.3
285.10062	54.7
289.17957	3.0
289.21863	1.6
289.25165	16.6
290.10648	1.3
292.13507	0.8
303.11127	2.4
307.09555	1.5
307.19254	1.6
307.26276	36.1
308.11761	6.2
308.26627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2627
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03931	1.9
55.01854	1.5
55.05258	1.1
55.05505	15.0
56.39153	0.8
56.96561	9.6
57.03424	1.1
57.07069	5.9
59.04985	1.8
63.48067	0.7
67.05498	13.7
69.03430	7.0
69.07062	100.0
70.11374	4.1
71.04972	2.7
71.08623	2.1
76.02237	0.8
79.05477	10.5
81.03401	2.9
81.07050	50.4
82.07365	0.9
83.04969	3.2
83.08611	10.2
85.02893	5.6
85.06525	5.0
91.05453	6.0
93.07034	24.5
94.07368	0.9
95.04956	6.0
95.08598	40.5
96.53682	0.8
97.02888	1.3
97.06529	6.5
97.10161	5.6
98.21386	0.9
98.98370	1.1
99.04437	2.2
99.08092	2.1
103.03931	4.8
105.07025	21.0
106.07378	0.8
107.04939	1.8
107.08585	18.9
109.02899	2.2
109.06540	5.7
109.10149	20.4
109.26938	0.8
111.08080	4.4
111.11713	26.0
113.06047	1.0
114.48217	0.7
119.08566	10.9
121.06506	3.1
121.10135	28.2
123.08065	2.5
123.11696	21.4
125.09634	3.7
127.03915	4.6
127.11139	0.9
131.08543	2.6
133.10115	6.3
135.08003	1.9
135.11693	8.6
137.09592	1.9
137.13245	5.6
139.03902	7.4
139.10081	1.4
139.11165	25.3
143.08531	0.9
145.04945	1.4
145.10085	2.5
147.11668	12.2
149.09631	1.0
149.13228	10.0
151.11145	4.8
151.14777	2.3
153.12761	3.5
157.01706	1.4
159.07883	1.0
159.11665	3.6
161.09604	1.2
161.13274	3.4
163.11165	2.1
163.14780	3.8
165.12723	15.9
167.14330	2.0
169.12262	1.0
171.03325	1.5
173.13264	3.4
175.14836	2.9
177.16348	2.1
179.14267	1.0
183.13840	1.2
185.04852	2.9
187.14859	2.5
189.04433	1.0
189.16370	2.9
191.17928	1.6
193.15883	1.1
201.16331	1.1
203.05888	4.6
203.17960	1.4
207.17485	0.9
211.06358	1.3
215.17941	2.4
217.19527	1.1
223.61015	0.8
229.07251	1.0
231.06993	1.1
239.09528	1.1
241.07449	1.1
245.22690	2.2
249.08014	2.9
259.24188	1.1
267.09033	24.5
271.16858	0.9
271.24158	6.2
277.25305	2.9
284.06540	2.9
285.10068	60.4
289.17984	3.9
289.25250	15.7
289.28403	0.7
290.10645	2.0
303.11139	2.7
307.09479	1.2
307.26318	31.1
308.11737	5.6
308.26584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19542	0.3
53.03946	0.3
57.03424	0.5
61.02924	1.4
65.03944	0.3
69.03421	3.2
71.07963	0.4
71.08289	0.4
73.02907	0.6
81.03407	1.1
85.02409	0.5
85.02895	6.7
87.04460	0.6
91.03928	0.5
91.05465	3.1
96.83917	0.3
97.02867	2.0
99.04472	0.3
109.02863	0.7
117.05734	0.8
117.74947	0.3
118.06528	58.7
119.06872	0.9
127.03913	1.0
145.04965	0.9
146.05989	100.0
147.06320	1.2
156.48798	0.3
162.05473	0.9
190.04941	0.5
213.40009	0.3
308.11240	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	308.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.65010	0.8
55.05503	6.4
56.05022	1.3
56.96555	2.6
57.03421	2.4
58.06598	1.0
59.04982	0.8
60.04524	9.0
61.02910	1.9
65.03916	1.5
67.05480	2.2
69.03426	10.2
69.07065	1.6
69.88068	1.3
69.88475	3.5
70.04076	2.1
70.06568	2.3
71.04985	1.8
73.02922	1.1
73.06554	1.4
76.02206	3.2
81.03408	5.7
83.04971	24.4
84.04484	2.5
84.08136	1.0
85.02411	1.6
85.02897	19.2
85.06509	2.2
87.04443	1.3
88.07586	0.9
91.03926	1.1
95.04955	3.6
97.02884	8.4
98.97565	2.5
99.04432	1.9
100.07633	0.9
107.04945	1.8
109.02872	6.3
110.59956	0.9
111.04430	100.0
111.08050	1.7
116.98563	2.6
118.06528	1.6
119.04967	1.4
127.03910	5.1
128.01619	7.2
128.07018	0.9
128.10716	2.8
129.09117	1.7
130.06561	1.1
134.99622	2.0
139.03879	2.6
140.04169	1.4
141.51494	0.8
145.04956	3.6
146.02676	2.3
146.05974	5.5
146.08128	2.2
146.11745	3.4
147.04390	2.8
157.07462	1.0
163.03883	2.2
169.04860	1.5
177.00722	1.4
178.09695	0.8
179.04861	1.9
204.08719	1.0
216.06454	1.0
219.01964	0.8
219.07942	0.9
231.13847	1.9
237.02794	4.3
237.07535	1.4
249.14966	0.9
255.08513	3.9
267.00189	1.3
308.16968	2.8
309.08533	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	308.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.6
55.01870	9.3
55.05505	87.7
56.05014	4.7
57.03424	3.4
57.07066	2.9
59.04984	3.9
61.88070	1.6
65.03930	7.9
67.05495	36.9
68.05025	3.7
69.03414	6.2
69.07060	54.7
69.52356	5.6
69.52776	7.3
70.04049	2.6
70.06568	2.2
71.04995	2.1
77.03895	2.4
79.05482	92.7
80.05007	11.5
80.05786	2.8
81.03402	1.9
81.07048	40.2
82.06552	5.4
83.04973	18.9
83.08610	37.1
84.08101	1.5
85.06535	1.7
91.05464	43.6
92.04989	23.3
92.05564	1.6
92.05826	2.3
93.05787	8.8
93.07032	57.4
93.07624	3.3
94.06567	11.4
94.07376	1.3
95.04958	18.4
95.08582	14.1
96.04479	3.1
97.06533	2.8
97.10155	50.2
98.06017	1.8
98.20670	1.4
98.21220	5.3
100.02451	1.9
103.05483	2.0
105.04497	3.3
105.07014	16.6
106.06547	20.0
107.04949	2.2
107.07318	3.1
107.08565	20.4
108.08118	4.1
109.06511	2.6
109.10123	8.1
110.06005	2.7
110.09699	1.7
111.08074	4.4
116.06232	3.4
117.07003	9.3
118.03542	3.3
118.06578	8.0
119.07320	3.9
119.08557	8.0
120.08085	12.8
121.10124	23.6
123.04069	2.1
123.08051	2.7
124.11197	2.4
125.09614	52.9
129.06976	5.6
130.06548	1.6
131.07541	2.6
131.08537	28.1
132.08055	4.4
133.08868	5.8
133.10062	3.4
134.09657	5.4
135.08049	2.8
135.11649	2.5
138.12755	9.1
143.10675	9.8
145.10107	3.9
146.09558	6.8
148.11189	78.8
149.11479	1.6
157.10129	1.8
159.11612	2.9
161.09535	1.9
161.13210	2.0
163.11139	2.1
165.12685	1.9
166.13162	2.1
176.14319	16.6
185.13266	2.6
186.12805	2.6
204.13824	22.2
222.14874	21.7
231.13692	1.9
255.17462	1.5
262.18546	1.6
270.90701	1.3
272.20084	1.9
273.18549	2.5
276.20309	1.7
290.18326	5.8
290.21106	100.0
291.19409	5.1
291.22055	2.5
297.19266	3.0
308.22202	31.5
308.28415	3.3
308.70361	1.9
315.17984	1.7
330.25809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.82633	0.2
53.03913	0.2
55.01872	0.2
55.05513	0.5
57.03428	0.3
57.07050	0.3
58.02952	0.3
59.04989	0.2
67.05493	1.0
69.07052	0.8
70.04065	0.6
71.05000	0.2
71.08612	0.4
71.61472	0.4
79.05496	1.2
81.07054	2.5
83.04970	0.3
83.08595	0.4
91.05464	1.0
93.07015	0.8
94.04175	1.5
95.04944	0.7
95.08594	1.0
95.09177	0.2
97.06519	0.5
105.07003	0.8
107.04937	1.0
107.08578	0.7
109.06510	0.7
109.10133	0.5
117.06963	0.3
119.08563	0.6
119.41977	0.2
120.08839	0.2
121.10135	0.3
122.02828	0.4
122.03636	5.2
125.09596	0.2
131.08554	1.0
133.10069	0.4
135.08034	0.6
137.05959	100.0
137.13240	0.3
138.06290	2.5
145.10114	0.3
149.09633	0.4
153.12743	0.2
172.16939	1.6
183.11676	0.2
184.16978	3.0
185.13231	0.3
191.50476	0.2
193.12192	0.3
231.13745	0.4
273.18475	0.4
288.11191	0.3
290.18311	0.5
291.19519	1.8
291.22665	0.4
308.18790	0.3
308.22208	0.8
309.24728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01863	4.4
55.05508	15.5
56.05022	3.5
57.03431	1.6
57.07088	1.4
64.05685	1.0
65.03930	4.6
67.05499	76.7
68.05012	2.0
68.05840	1.8
69.07063	77.6
69.34441	11.2
70.04081	1.9
71.04987	5.2
79.05485	32.8
80.05005	17.3
80.05825	1.3
81.07051	66.1
82.06578	3.2
83.04973	5.3
83.08624	6.5
84.08139	1.6
85.06558	2.8
91.05472	20.8
92.05001	4.5
93.05786	4.9
93.07035	43.7
94.06560	10.4
95.04959	8.3
95.08603	28.7
96.04475	1.8
96.08123	4.6
97.06515	3.1
97.10155	2.8
98.06053	4.5
98.20787	2.5
98.21438	2.7
105.07017	15.6
106.06557	11.4
107.04957	3.1
107.07395	2.3
107.08584	19.3
108.04510	1.6
108.08105	5.4
109.06523	3.7
109.10159	11.9
110.06003	1.8
110.09676	2.2
111.04427	2.0
111.08073	1.8
113.05958	1.4
117.07012	13.6
118.06549	3.2
119.04945	1.3
119.07307	1.7
119.08627	6.4
120.08107	9.1
121.06511	2.9
121.10120	5.8
122.09632	2.4
123.08073	3.3
123.11696	1.2
125.09689	1.5
126.09100	1.2
129.06972	2.7
131.08551	13.3
132.08083	3.0
133.10112	14.8
134.09631	6.1
135.08081	5.6
135.11668	17.0
137.06030	1.1
143.08546	1.8
145.10130	3.1
146.09567	1.3
146.17975	1.2
147.04373	1.2
147.08069	1.7
147.11700	2.7
147.35046	1.2
148.11203	9.2
149.09644	2.2
149.13245	10.2
151.11183	4.6
157.10133	1.5
159.11678	11.7
161.76863	1.1
162.12805	2.4
163.11172	1.1
169.12268	1.4
176.14334	27.8
176.15811	2.0
177.12755	5.3
194.15410	6.4
204.13782	10.6
222.14868	41.8
223.15163	1.9
245.18890	1.5
263.20224	1.3
272.19907	1.5
273.18478	4.5
290.21121	100.0
291.19510	6.0
291.22028	3.2
308.22235	5.0
309.16110	1.2
309.20670	2.0
309.24380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01859	0.8
55.05505	2.0
56.96543	0.6
57.03433	10.6
59.04982	1.3
61.02905	1.9
61.96447	0.4
67.05492	0.5
69.03419	2.2
69.07059	0.7
70.06574	0.4
70.83636	0.6
70.84019	0.7
71.01344	1.4
71.04988	25.0
73.02911	5.4
75.04475	13.7
79.05489	0.9
80.47977	0.4
81.03408	0.9
81.07069	0.5
83.04979	5.6
85.02898	100.0
86.03222	0.7
87.04460	2.3
91.05456	2.6
93.07066	0.6
95.05003	0.8
97.02869	4.7
97.06542	0.7
98.97572	0.7
99.04470	1.4
101.06005	1.5
103.03937	1.1
105.07070	0.5
107.08569	0.5
109.02190	0.3
109.02873	1.5
109.06521	0.4
109.10160	0.5
111.04431	3.7
116.98648	0.7
119.04896	0.4
119.08548	0.5
123.04435	0.5
123.08082	0.5
127.03902	3.4
128.98593	0.5
129.05470	26.6
131.08699	0.4
134.99751	0.7
145.02884	1.0
145.04959	1.4
145.10097	0.7
147.04544	2.5
147.06506	15.5
151.03897	0.6
158.99496	0.5
163.07555	0.4
165.07588	1.4
171.06566	1.2
177.05505	1.1
191.07104	0.4
225.07567	0.7
235.13385	0.6
237.02858	0.7
255.08653	0.8
277.08539	0.6
289.69904	0.4
291.19376	0.5
309.11581	1.3
309.17007	0.5
327.07416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
53.04165	0.5
55.01872	2.4
55.05503	17.5
56.96554	1.1
57.02794	0.5
57.03434	2.3
57.07074	3.3
58.93862	0.4
59.04977	1.5
65.03925	0.5
67.05163	0.8
67.05496	12.9
69.03411	2.8
69.07061	15.1
70.14758	2.7
71.01323	0.9
71.04974	1.5
71.08614	1.2
79.05483	28.0
81.03400	1.5
81.07047	29.5
83.04977	2.6
83.08604	10.3
85.02883	1.5
85.06522	2.6
91.05468	9.6
93.07030	35.3
95.04963	6.1
95.08593	13.4
97.06516	3.4
97.10153	12.5
98.98484	0.7
99.08074	1.7
105.07014	6.4
107.04946	1.4
107.08578	9.8
109.06531	2.4
109.10144	7.4
111.04464	0.6
111.08081	3.0
111.11716	3.4
113.05987	1.0
117.06989	1.5
119.04885	0.6
119.08566	5.2
121.06483	1.0
121.09303	0.9
121.10137	14.7
123.08057	6.8
123.11691	26.4
125.06009	0.6
125.09620	11.2
127.02379	0.5
129.06999	1.0
131.08542	2.0
133.10150	2.9
135.08090	2.8
135.11688	4.0
137.09608	1.5
137.13242	1.5
143.08530	1.3
143.10632	0.7
145.10117	2.3
147.04384	2.2
147.08011	1.2
147.11667	2.1
149.09601	1.1
149.13242	2.0
153.09116	0.9
153.12737	4.3
155.08568	0.7
157.10138	1.7
159.08070	0.7
159.11649	1.0
161.09572	1.2
161.13188	1.1
163.03833	0.6
163.11159	1.0
163.14841	1.0
165.09164	1.1
165.16412	0.5
171.10262	0.8
171.11662	1.3
173.09650	1.0
175.11182	0.6
175.14749	0.5
177.16383	0.7
183.11884	0.5
185.13281	0.9
189.11214	11.9
189.12894	0.8
193.12259	0.9
217.19656	0.6
217.33652	0.6
219.13657	0.8
220.97356	0.5
221.15388	0.8
223.13312	1.0
226.07895	0.5
227.17992	0.6
237.16425	0.6
245.19089	1.5
255.17378	1.1
263.19937	1.2
273.18466	5.4
291.19498	6.9
291.26700	1.6
309.16702	100.0
309.27975	3.0
310.17230	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	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03932	5.7
55.01860	20.2
55.05503	29.2
56.85157	2.8
57.03432	55.9
64.24485	2.6
67.05165	4.2
67.05499	57.9
69.03419	6.7
69.06778	2.5
69.07066	32.2
69.65112	3.0
70.42468	12.5
71.04981	15.2
75.82178	2.5
79.05483	53.4
79.39800	2.5
81.03404	18.4
81.07047	68.0
83.04974	16.1
83.08601	10.1
85.06529	12.4
91.05465	52.8
93.07031	57.4
95.04960	25.7
95.08037	4.4
95.08601	57.1
96.49547	2.6
97.06520	74.2
97.10110	4.9
99.04432	5.4
99.08076	32.3
105.07013	48.2
107.04931	20.1
107.08578	48.3
109.06504	28.4
109.10139	27.9
111.04427	23.2
111.08091	4.7
112.30807	2.9
113.05980	5.8
115.07539	7.8
117.07030	23.4
119.08559	32.6
121.06494	16.2
121.10139	19.6
123.08043	13.9
123.11714	3.2
125.05951	3.0
125.09653	4.5
127.07542	12.7
129.06985	10.7
131.08546	34.1
133.06502	6.0
133.10118	32.3
135.08023	27.0
135.11655	13.9
137.09613	5.7
141.06924	5.0
143.08519	8.9
145.06490	6.0
145.10106	24.8
147.08035	9.6
147.11649	7.3
149.09608	15.6
149.13281	3.4
151.11143	15.3
153.09056	7.9
157.10083	10.5
159.08080	3.7
159.11667	14.9
161.09581	11.7
161.13222	2.9
163.11162	4.5
171.11691	9.5
173.09698	3.9
173.13228	8.0
175.11172	9.3
177.12708	3.9
183.11705	4.7
185.13173	5.4
187.11177	4.3
187.14796	3.9
189.12704	2.8
191.14317	3.1
195.11868	3.5
195.13632	3.2
197.13277	4.2
199.14867	9.4
201.12668	5.7
207.13776	6.6
217.15810	17.3
219.13786	7.9
221.15445	6.9
227.17905	7.0
233.15366	11.4
235.17003	4.7
237.14786	5.0
245.19023	6.1
251.16429	24.5
255.17392	6.6
263.20056	11.8
273.18451	43.4
291.19485	100.0
309.20544	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03911	3.4
55.01867	11.7
55.05503	37.4
57.03437	32.4
67.05498	41.3
69.03426	3.8
69.07047	9.2
71.04972	5.7
71.07123	8.9
79.05485	51.4
81.07051	74.5
83.04976	8.4
83.08605	19.7
85.06538	8.0
87.85947	3.6
91.05478	28.9
93.07043	28.3
94.29666	3.4
95.04957	14.0
95.08604	18.8
97.06511	8.8
97.10169	16.6
99.08064	6.3
105.07032	25.8
107.04961	18.8
107.08563	26.4
109.06516	30.4
109.10160	11.7
111.08102	6.0
117.07008	26.5
119.08565	48.4
121.06492	13.0
121.10146	12.5
122.58346	3.0
123.08055	13.9
125.09606	19.8
128.06216	3.6
129.06979	9.6
131.08549	24.9
133.10123	10.0
135.08060	11.7
137.09612	5.0
143.08545	11.4
145.06514	3.2
145.10132	23.0
147.08006	21.5
149.09625	8.5
157.10147	12.0
159.08124	4.4
159.11658	8.3
161.09621	10.6
163.11205	6.2
171.11728	6.0
173.13286	5.1
175.11189	7.8
175.25670	3.4
187.47502	3.1
189.11179	17.3
191.14156	3.6
194.48218	3.0
199.14841	4.7
210.14949	3.9
217.15826	6.5
219.13747	9.0
235.16951	5.7
244.41066	3.1
245.19084	5.1
246.95854	3.5
249.14813	6.8
255.17397	8.6
263.20020	5.0
273.18427	63.6
274.19003	4.9
291.19516	100.0
292.20013	5.0
309.20520	4.8
321.75015	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.48750	1.3
53.03946	2.0
54.22790	1.6
55.01864	9.8
55.05505	16.3
57.03415	6.4
57.66104	1.5
64.33244	1.2
67.05168	1.8
67.05495	27.5
69.03413	2.5
69.07048	5.2
69.99164	6.5
71.04986	3.1
79.05045	2.6
79.05476	26.1
81.03364	1.6
81.06572	3.1
81.07046	55.9
83.04966	20.4
83.08604	9.2
85.02905	8.1
85.06533	6.1
89.31481	1.4
90.72921	1.4
91.05466	12.2
93.07035	20.2
95.04955	13.4
95.08594	7.9
97.06499	4.5
97.10146	7.3
99.04439	3.1
103.07606	1.4
105.07027	12.3
107.04932	5.0
107.08570	13.2
109.06493	17.8
109.10136	6.0
111.04428	35.2
111.08060	8.1
113.05974	10.3
117.07010	11.7
119.08566	24.0
121.06463	8.3
121.10151	10.2
123.08056	8.3
125.05955	1.5
125.09613	7.1
129.06964	4.7
131.07642	1.3
131.08530	9.5
131.63257	1.4
133.10124	3.2
135.08025	8.2
135.11674	7.7
137.09572	2.8
143.08525	4.5
145.10100	17.0
147.08034	11.5
147.11690	2.0
149.09576	5.8
151.11162	1.8
153.12704	10.4
157.10065	3.4
159.08054	1.3
159.11685	2.4
161.09633	4.5
163.11171	19.5
165.08977	2.9
168.60045	1.6
173.09663	3.1
181.12207	15.5
185.13153	1.9
189.11131	6.7
191.10663	13.1
195.11945	1.4
203.64322	1.4
209.11690	1.7
217.15794	2.4
220.89575	1.3
223.13249	6.1
227.12770	9.8
245.19133	2.1
249.14845	7.2
255.17458	3.5
273.18457	26.6
273.21219	2.7
274.18628	1.9
291.04102	1.4
291.19507	100.0
292.19794	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03936	5.1
55.01872	6.4
55.05510	14.1
55.87172	1.4
57.03430	4.0
67.05501	27.6
69.03423	2.9
69.07058	8.6
71.04980	4.7
71.15498	3.5
79.05486	37.4
81.03400	8.1
81.07052	100.0
83.04977	6.7
83.08625	5.5
85.02888	2.7
85.06519	2.7
88.74593	1.5
91.05478	19.6
93.07041	19.2
95.04964	17.6
95.08595	16.3
97.06535	2.7
97.10168	4.4
105.07015	13.6
107.04930	9.1
107.08606	12.0
109.06513	92.5
109.10135	4.8
111.04443	7.1
111.08080	3.3
113.06017	4.4
116.06345	1.6
117.07012	10.0
119.08581	15.7
121.06496	5.2
121.10130	9.7
123.04415	1.4
123.08042	8.1
125.09650	4.4
129.06992	6.2
130.81836	1.4
131.08575	10.5
133.10104	5.4
135.08034	10.1
135.11703	5.6
137.09641	3.0
143.08551	5.8
145.06479	2.6
145.10101	13.0
147.08061	5.9
147.11696	3.1
149.09624	6.6
153.12683	1.6
157.10141	2.8
159.11711	5.0
161.09628	12.1
163.11183	6.7
166.83687	1.4
171.11612	2.8
173.09657	2.0
175.11183	2.7
177.12711	2.6
181.12236	4.9
189.11223	2.0
191.10646	5.5
199.11259	1.5
217.15974	4.1
223.13258	1.4
227.12877	1.7
245.19014	2.2
249.14949	1.9
255.17505	2.7
273.18524	18.1
291.19525	51.3
309.20874	2.0
309.24118	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	0.9
55.01868	4.1
55.05506	20.1
57.03414	1.3
57.07065	0.7
59.04993	0.6
61.58099	0.4
67.05496	10.0
68.05827	0.4
69.03422	3.0
69.07059	10.1
70.04124	0.3
71.04975	1.0
79.05482	10.7
81.03416	1.8
81.06572	0.7
81.07044	13.0
83.04974	3.0
83.08135	0.7
83.08607	10.4
85.06538	0.5
91.04974	0.4
91.05467	7.5
93.07034	8.3
95.01311	1.1
95.04958	4.6
95.08593	4.9
97.02872	1.4
97.06503	1.5
97.10157	15.7
98.10507	0.7
101.09641	0.6
103.05430	0.4
105.03377	0.4
105.07012	6.1
107.04958	2.5
107.08582	8.3
108.08889	0.4
109.02858	1.0
109.06498	1.6
109.10126	2.7
111.04430	1.5
111.08056	1.4
117.07007	2.7
119.04912	0.8
119.07770	0.6
119.08568	6.1
121.06485	2.2
121.10099	2.6
123.04447	0.6
123.08046	4.8
125.09615	12.3
126.25420	0.4
129.06979	1.2
130.07738	0.5
131.08514	3.5
133.06483	2.0
133.10101	2.1
135.08078	2.3
135.11661	1.1
137.09598	1.4
142.07733	0.4
143.08531	1.4
145.10098	3.3
147.08051	3.5
147.11659	2.1
149.09613	1.7
149.13213	0.7
151.11176	0.5
153.09088	1.1
153.12677	0.6
157.10100	1.6
159.11655	1.2
161.09581	1.3
162.10356	0.9
163.11157	1.7
165.09073	2.1
169.12163	0.5
170.90717	0.4
171.10167	0.9
171.11731	1.0
175.11191	1.4
177.12715	0.4
179.10561	0.4
181.10043	0.4
181.12265	0.6
187.11089	0.6
189.11209	7.6
189.12772	0.5
191.10611	0.6
193.12215	1.1
199.11223	0.4
205.12064	0.5
217.12305	0.4
217.19440	0.4
221.11700	0.8
223.13235	5.1
223.15240	0.4
230.05609	0.5
235.13304	0.4
236.59163	0.4
245.18987	1.1
249.14827	1.4
255.17343	1.1
263.19943	0.8
273.18451	9.3
274.18909	0.6
285.10159	0.6
291.19501	100.0
292.19849	5.8
309.20544	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	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.05748	1.9
53.03930	4.1
55.01863	20.2
55.05502	26.7
57.03419	7.8
57.07058	3.3
61.16512	2.0
67.05497	67.1
69.03404	4.2
69.07061	22.5
69.45180	1.7
69.79173	1.6
71.04990	9.3
71.07018	2.8
71.07336	3.7
72.20000	1.9
79.05482	36.3
80.05811	2.3
81.03424	3.6
81.07047	80.3
83.01330	2.2
83.04982	16.6
83.08607	13.1
85.02845	2.2
85.06529	5.8
91.05473	43.8
93.07032	43.6
95.04946	14.0
95.08589	27.2
96.47408	2.0
97.06498	5.8
97.10173	3.0
98.21015	2.6
99.04463	4.2
99.08081	2.2
105.07018	46.4
107.04932	8.6
107.08575	49.9
108.08903	1.9
109.06506	11.0
109.10143	79.8
109.85008	2.3
110.10487	2.3
111.04439	6.1
111.08065	12.0
113.05997	6.2
117.06985	6.8
119.08562	17.9
121.06449	11.1
121.10100	13.1
123.08027	5.9
123.11687	9.6
125.05962	2.8
125.09597	3.1
127.07531	2.9
128.06155	3.4
129.06985	3.7
131.08537	13.3
133.06491	9.0
133.10109	100.0
134.10455	3.3
135.08020	5.9
135.11664	7.3
137.05930	3.0
137.09660	4.9
139.07533	4.2
142.48927	2.1
143.08524	6.1
145.10054	12.1
146.10460	2.1
147.08041	10.0
147.11662	8.3
149.09596	5.3
151.11156	66.0
152.11505	3.6
157.10083	4.4
159.11711	5.0
161.09586	14.8
161.13235	2.6
163.07390	2.4
163.11185	2.6
165.09167	2.5
167.10725	2.7
169.12238	20.7
171.11702	6.5
173.09569	2.2
173.13359	2.3
175.11156	4.2
177.09169	2.6
179.10670	3.8
179.14299	2.0
181.08517	3.6
185.13315	2.5
187.11070	2.6
189.12689	5.6
203.14232	3.5
207.13884	2.1
215.12843	12.1
217.12260	3.7
226.52127	2.0
227.18047	3.8
231.13878	2.4
233.94307	2.0
245.18880	16.1
255.17546	2.7
263.20016	19.2
273.18448	41.4
273.21194	3.6
274.18723	2.6
291.19513	70.3
292.19943	5.1
309.20566	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03925	4.8
55.01866	15.0
55.05255	2.3
55.05502	30.1
57.03415	4.7
57.07056	2.2
65.03902	2.4
67.05498	64.2
69.03410	3.9
69.07058	29.6
69.65132	13.1
71.04975	8.1
79.05481	46.3
81.03418	2.9
81.07046	72.5
83.01335	3.5
83.04979	15.1
83.08615	11.8
85.06519	7.4
91.05470	48.4
93.06462	3.4
93.07033	54.1
95.04937	15.9
95.08595	33.2
97.02886	2.5
97.06506	8.7
97.10159	3.7
98.20852	3.7
98.21392	2.3
98.36103	1.7
99.04431	4.7
99.08073	3.2
100.38352	1.6
105.07017	47.5
107.04934	11.8
107.08577	47.3
109.02831	2.2
109.06508	12.9
109.10143	62.2
110.10509	1.6
111.04420	6.7
111.08061	9.0
113.06018	3.1
117.07000	11.5
118.03452	2.0
119.08552	21.4
121.06493	14.0
121.10108	14.7
123.04423	4.0
123.08053	6.4
123.11691	10.4
125.05972	5.2
125.09649	3.3
127.07562	2.7
129.07011	8.7
131.08559	15.4
133.06485	11.7
133.10106	73.2
135.08018	8.9
135.11665	11.4
137.05965	5.1
137.09552	4.0
139.07513	9.5
142.07765	2.5
143.08559	10.8
145.10089	14.1
147.08032	14.3
147.11665	7.9
149.09612	8.9
149.13222	3.3
151.11165	45.2
154.53107	1.7
157.10109	6.4
159.08049	3.4
159.11682	5.3
161.09573	15.9
161.13206	6.2
163.11157	4.8
165.09084	3.5
167.10590	2.4
169.12170	14.2
171.07967	2.5
171.11705	9.1
173.09605	3.4
175.11163	8.2
175.67828	1.5
177.09125	5.0
177.12749	2.4
177.16486	1.7
179.10629	4.1
179.14284	3.4
181.08603	3.2
181.12215	3.4
185.13275	3.5
187.11148	2.6
189.12720	6.6
199.14798	3.3
203.14305	4.9
213.12810	2.6
215.12744	5.2
217.12202	4.9
223.13193	2.1
226.18355	2.0
227.17944	5.4
231.13853	2.6
235.13245	3.0
245.18974	19.4
249.14890	1.7
249.18524	1.8
255.17331	4.8
263.20004	26.4
269.50861	1.6
273.18457	62.3
274.18619	2.8
291.19507	100.0
292.19794	6.2
309.20538	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	309.2055
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03927	5.8
55.01862	12.0
55.05502	31.2
57.03432	70.8
57.07062	4.2
58.96873	2.4
59.96040	3.0
65.03926	6.2
65.60870	2.8
67.05495	63.4
69.03424	3.7
69.07067	25.7
70.87325	4.2
70.87648	6.9
71.04993	16.4
79.05486	79.7
81.03419	11.4
81.07045	100.0
83.04973	13.1
83.08622	15.7
85.06522	11.3
85.41645	2.9
91.05473	64.4
93.07037	79.8
95.04956	28.2
95.08598	51.2
97.06524	43.9
97.10140	7.5
98.21169	3.8
99.08081	27.7
105.06361	6.2
105.07021	60.7
107.04960	18.5
107.08578	55.2
108.08934	3.7
109.06501	32.2
109.10130	19.2
111.04440	4.6
111.08067	9.0
113.05991	8.2
115.05467	5.1
115.07594	4.2
117.07005	32.3
118.65214	3.0
119.08570	40.8
121.06492	13.2
121.10119	35.2
121.45114	2.7
123.08080	16.6
123.11690	5.9
125.06039	3.6
125.09604	7.1
127.07555	15.7
128.06178	4.3
129.06998	15.0
131.08565	34.3
133.06480	6.8
133.10109	31.0
135.08066	27.0
135.11665	17.1
137.09642	6.0
142.07773	3.9
143.08574	15.5
145.06502	4.8
145.10110	34.8
147.08049	11.5
147.11682	13.9
149.09613	15.4
149.13252	9.0
151.11188	5.2
153.09077	4.5
155.08586	4.2
157.10126	18.4
159.08084	4.5
159.11624	17.5
161.09633	12.8
161.13275	5.5
163.11154	4.9
165.12703	4.2
169.10071	4.6
171.11673	12.0
173.13266	12.1
175.11156	12.4
177.12677	4.7
179.10733	6.4
181.12213	5.4
183.11690	7.3
185.13235	5.3
187.11189	4.5
187.14780	4.2
189.12743	4.4
189.16386	3.8
191.14334	5.1
195.11568	3.6
195.13681	4.6
197.13264	3.3
199.14844	10.4
201.12727	5.2
205.12181	3.7
207.13712	4.5
217.15851	34.0
219.13759	14.7
221.15497	7.7
223.13281	5.9
227.17865	9.2
233.15416	14.3
235.16882	8.3
237.16457	4.7
245.19043	12.8
249.14821	6.6
251.16292	15.2
255.17422	9.3
263.20084	19.3
273.18439	58.3
288.82846	3.4
291.19495	87.0
292.19791	6.7
309.20572	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03900	1.5
55.01865	6.2
55.05506	27.1
57.03437	1.5
59.04994	1.2
60.15548	1.1
65.03913	1.4
67.05496	20.1
69.03423	5.4
69.07058	13.0
69.24921	1.2
70.69584	2.6
70.69917	2.1
71.04984	1.5
79.05489	18.7
81.03413	2.3
81.07047	22.9
83.04977	4.5
83.08614	15.0
91.05466	10.3
93.07036	15.3
95.04964	8.5
95.08595	10.7
97.06525	2.4
97.10159	24.0
105.07027	11.0
107.04928	6.4
107.08581	12.2
109.06542	3.0
109.10167	3.4
111.04440	2.6
111.08083	3.0
117.07009	4.6
119.08574	10.7
121.06521	1.6
121.10152	5.7
123.08041	12.1
123.11726	2.0
125.09619	18.0
129.06999	2.2
131.08533	5.7
133.06450	1.8
133.10115	4.7
135.08051	4.3
135.11732	2.3
137.09601	2.2
143.08549	2.6
145.10101	5.6
147.08026	5.5
147.11708	3.6
147.70032	1.3
149.09645	1.9
153.09114	2.5
154.52934	1.3
157.10127	2.4
159.11688	1.5
161.09639	1.5
163.11150	2.8
165.09047	2.6
171.11710	2.1
173.09650	1.8
173.13228	1.3
175.11227	2.9
187.11125	1.3
189.11211	14.6
193.12216	1.6
211.13286	1.7
221.11734	1.5
223.13249	4.5
231.13658	1.4
237.16501	1.7
245.18971	3.0
249.14827	2.7
255.17377	3.2
263.20178	1.4
273.18484	16.5
277.25565	1.2
291.19519	100.0
292.19879	4.9
309.16360	3.0
309.20578	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	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	4.7
55.01851	4.4
55.05511	22.2
57.03405	8.7
57.07048	4.1
65.03922	2.5
67.05499	36.4
69.03377	1.9
69.07056	25.2
71.04996	2.6
71.08624	1.9
79.05487	34.7
81.03365	2.7
81.07053	56.8
83.04955	3.4
83.08625	11.3
88.08373	2.0
91.04961	3.1
91.05474	46.3
92.05753	2.7
92.06292	2.2
93.07037	83.4
95.04961	63.5
95.08597	42.8
97.06523	21.1
97.10131	3.1
103.05416	3.5
105.07020	79.6
107.04917	4.0
107.08582	45.9
109.06522	13.5
109.09586	2.2
109.10145	24.9
115.05419	4.7
116.06251	2.7
117.07003	18.0
119.08571	64.2
121.06493	10.6
121.10130	100.0
122.10430	2.6
123.08034	12.9
123.11658	10.8
124.20802	1.9
128.06171	8.0
129.07004	13.2
130.07716	8.6
131.08554	41.0
133.06432	3.7
133.09236	3.0
133.10124	46.3
134.10378	1.9
135.08038	9.2
135.11702	10.6
137.09576	3.3
141.06929	6.7
142.07787	16.3
143.08546	32.0
144.09369	10.3
145.09055	3.3
145.10101	50.0
146.10527	2.5
147.07967	5.8
147.11658	12.0
149.09546	4.2
149.13138	4.0
153.06963	2.6
154.07693	2.9
155.08539	13.1
156.09314	12.3
157.08925	2.7
157.10104	37.3
158.10800	4.0
159.07925	3.2
159.11668	39.1
161.09549	8.1
161.13199	5.8
166.07718	2.2
167.08524	3.9
168.09296	3.0
169.10129	17.4
170.10846	6.5
171.11699	20.5
173.09637	3.4
173.12195	1.9
173.13261	19.9
174.24661	2.1
175.11099	4.5
175.14729	8.7
179.08505	3.7
181.10060	8.6
182.10844	4.7
183.11702	15.0
184.12369	3.5
185.09593	2.0
185.13234	12.1
187.11229	12.4
187.14784	27.2
189.12657	4.4
192.09160	2.1
193.10051	4.9
194.10928	3.1
195.11609	7.2
196.12344	3.5
197.13185	11.3
198.15973	1.9
199.14819	13.4
201.12706	4.9
206.10791	2.5
207.11734	3.0
208.12337	2.3
209.13159	7.2
211.14790	9.3
213.12805	2.7
213.16257	6.4
215.14282	4.8
221.13176	4.6
223.14763	4.7
225.12576	3.0
225.16257	5.9
233.13170	2.4
234.14067	3.1
235.14676	7.1
237.16145	2.5
239.17770	6.0
241.15784	2.5
249.16257	3.2
252.18561	2.3
253.15775	4.5
253.19527	2.9
265.19485	4.0
281.22549	7.8
291.19501	7.4
309.21954	77.8
310.22226	3.5
331.71399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03928	3.8
55.01855	3.1
55.05295	1.3
55.05503	13.6
57.03423	3.0
57.07052	3.3
59.04975	1.3
59.43989	1.0
67.05495	39.5
69.03407	2.7
69.07059	16.2
69.96442	1.9
69.96858	4.7
71.04972	4.0
71.08624	47.5
77.39806	1.2
79.05481	33.3
81.02962	1.0
81.03413	6.6
81.06570	2.0
81.07049	44.9
83.04977	11.0
83.08613	10.4
85.06529	3.6
91.05473	21.3
93.07033	58.1
95.04959	10.7
95.08594	37.1
97.06528	10.1
97.10138	4.3
99.08082	44.7
99.08739	2.0
105.07018	18.4
107.04950	5.9
107.08581	28.1
109.06500	4.1
109.10146	14.0
111.08080	3.2
113.09593	2.0
117.06977	4.0
119.08573	14.7
121.06522	1.9
121.09298	2.0
121.10134	29.2
123.08034	3.6
123.11682	2.1
127.11196	1.8
129.06970	1.6
131.08539	4.2
133.06529	1.4
133.10110	10.7
135.08070	1.6
135.11679	37.4
137.09618	6.0
139.11119	2.1
141.09125	3.0
143.08511	2.8
145.10086	6.2
147.11644	4.7
149.09590	1.4
149.13223	12.8
151.11157	18.2
153.12692	4.2
157.10135	2.4
159.11661	4.6
161.13249	12.1
163.11142	7.3
163.14760	1.4
167.10617	3.0
171.11667	2.2
175.14815	2.0
177.12759	4.6
179.14288	100.0
181.12248	2.6
185.13193	2.7
189.12724	2.9
195.13748	2.3
199.14850	2.1
207.17326	1.5
217.15855	1.3
221.15289	2.0
235.16869	5.2
241.19508	3.1
259.20569	4.7
277.21600	65.4
291.19644	5.6
291.22672	1.9
309.24274	6.0
326.14786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01863	1.1
57.03426	2.0
57.07067	4.9
60.04512	0.6
61.02924	3.5
62.06081	1.0
66.51166	0.6
67.05212	0.7
67.05502	8.4
69.03417	7.0
69.07050	1.6
70.71300	1.8
71.00294	0.7
71.04980	6.7
73.02930	1.5
75.15062	0.6
81.03424	3.7
85.02898	39.7
85.06516	4.9
87.04474	0.9
91.03938	2.9
95.04960	12.5
97.02869	7.9
99.04445	1.5
104.93917	0.6
109.02865	2.3
113.05996	35.8
114.06374	0.9
127.03909	9.2
131.07027	100.0
132.07359	0.8
145.04935	14.1
147.04395	1.2
149.08128	1.4
163.03891	2.4
163.05960	4.2
261.63300	0.8
293.12283	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05503	36.0
56.96574	0.3
69.54145	0.8
69.54559	1.7
73.59198	0.3
81.07052	0.3
83.04970	100.0
84.05295	0.7
101.06022	0.4
111.04427	17.4
112.04786	0.3
129.05466	0.5
193.08578	0.4
194.34689	0.4
211.09634	7.8
244.10426	0.8
254.22528	0.3
263.65704	0.4
325.30466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57915	0.4
53.03942	1.1
55.01871	0.7
55.05505	39.6
56.96574	0.5
57.03434	0.6
57.07075	0.8
67.05502	2.6
69.03434	0.8
69.07055	2.3
69.43216	3.4
69.43636	1.3
72.08147	0.5
79.05489	1.4
81.07040	3.3
83.04973	100.0
83.08627	1.4
84.05305	1.0
89.28681	0.4
90.52943	0.5
91.05485	1.5
93.07040	2.2
95.04975	1.0
95.08576	2.9
97.06549	0.6
97.10192	0.8
101.06033	1.1
105.07048	1.4
107.08609	2.1
109.06542	1.4
109.10152	1.3
111.04432	18.2
111.05202	0.9
115.87329	0.4
115.89276	0.4
117.06986	0.7
119.08603	1.7
121.10138	1.7
123.11713	0.7
125.09658	1.3
129.05476	1.1
129.31590	0.5
131.08542	0.7
133.55084	0.6
135.11678	1.0
139.03902	1.4
145.10103	1.1
149.09618	0.7
149.29643	0.5
155.08640	0.5
157.10136	1.3
159.11627	0.9
163.11140	0.6
165.16306	0.5
181.10201	0.6
189.11316	0.7
209.13388	0.8
211.09642	7.4
217.07721	0.6
235.47743	0.5
237.11462	0.5
239.17941	0.6
269.10474	0.5
275.20047	0.9
278.44238	0.5
293.21255	1.0
311.09500	0.6
311.18146	3.2
311.23651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01865	0.3
55.05504	39.0
55.74725	0.3
62.05210	0.3
69.96613	1.1
81.07066	0.4
83.04970	100.0
84.05319	1.0
95.08586	0.3
98.21159	0.8
101.05994	0.6
102.22107	0.3
111.04427	17.5
129.05469	0.7
133.10094	0.4
136.36409	0.3
140.42229	0.3
209.11719	0.8
211.09634	7.9
237.11253	0.5
311.14813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96635	0.4
53.03935	0.9
54.41689	0.4
55.05502	36.5
62.74126	0.4
70.41887	1.3
79.56028	0.6
83.04967	100.0
84.05312	0.9
98.20871	0.6
101.05999	0.5
105.69016	0.4
111.04424	17.9
112.04788	0.5
129.05472	0.5
189.45044	0.5
211.09613	8.2
244.72676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01865	0.3
55.05504	39.0
55.74725	0.3
62.05210	0.3
69.96613	1.1
81.07066	0.4
83.04970	100.0
84.05319	1.0
95.08586	0.3
98.21159	0.8
101.05994	0.6
102.22107	0.3
111.04427	17.5
129.05469	0.7
133.10094	0.4
136.36409	0.3
140.42229	0.3
209.11719	0.8
211.09634	7.9
237.11253	0.5
311.14813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.09073	1.9
53.03935	2.6
55.01867	2.9
55.05507	39.9
57.03427	2.6
57.07072	4.3
67.05501	17.9
69.03426	7.1
69.07074	9.6
70.73646	5.5
79.05493	13.8
81.07047	27.6
83.04973	100.0
83.08611	6.4
91.05473	11.4
93.07049	15.9
95.04966	6.6
95.08601	17.3
97.06491	3.5
97.10223	2.2
105.07026	10.7
107.04936	2.5
107.08601	13.9
108.23503	2.0
109.06527	5.7
109.10161	11.3
111.04424	21.5
111.08060	3.8
114.26172	1.6
117.07027	3.8
119.08572	13.3
121.06436	2.6
121.10153	9.6
123.08083	4.6
123.11749	4.1
125.09564	2.7
129.05666	1.8
129.22945	1.9
131.08580	5.6
133.10138	14.8
135.11668	3.7
137.09639	2.8
138.96698	1.8
145.10123	7.5
147.11687	7.3
149.09601	5.3
149.13319	2.1
149.64285	1.8
151.11218	2.4
157.10117	3.4
159.11754	3.7
161.13258	2.3
163.11186	4.0
165.12822	2.4
169.10164	2.6
173.13289	2.2
179.71259	1.8
183.11835	2.0
191.10696	3.9
193.04816	2.1
203.14287	2.0
209.11731	10.8
211.09685	5.3
212.91252	1.8
223.13321	4.8
235.16907	3.8
237.11246	7.2
239.17953	3.6
257.19006	5.2
265.21576	2.2
275.20071	36.0
293.20889	11.4
311.23822	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	3.3
55.01861	11.2
55.05506	48.4
57.03416	4.9
57.07066	9.0
63.27540	2.7
67.05161	4.8
67.05495	64.0
69.03446	2.7
69.07058	30.4
69.46662	14.9
69.47086	9.3
71.04977	8.8
71.27865	2.8
79.05483	35.6
81.03401	8.2
81.07050	64.2
83.04980	37.5
83.08598	27.7
85.06527	4.6
91.05466	29.8
93.07034	43.0
95.04953	28.4
95.08597	56.3
97.06522	11.0
97.10167	9.0
105.07024	38.5
107.04940	11.2
107.08575	41.9
109.06521	8.9
109.10146	36.6
111.04421	14.8
111.08074	12.3
117.07002	9.6
119.08567	28.7
121.06503	6.1
121.10109	23.8
123.08049	11.8
123.11700	8.3
125.06067	2.9
125.09617	10.5
129.06999	6.1
131.08554	16.8
133.10110	32.6
135.08063	9.2
135.11659	15.4
137.09618	8.7
143.08557	4.0
145.10112	23.0
147.10558	2.7
147.11627	14.3
149.09613	24.6
149.13304	3.9
151.11169	12.2
152.06339	2.6
153.12692	5.3
157.10135	5.9
159.11661	13.4
161.09647	4.6
161.13271	6.5
163.11191	22.9
165.12787	4.2
169.10205	3.4
169.12236	5.6
171.11682	4.9
173.09544	3.1
173.13255	6.4
175.11212	2.5
177.12704	6.7
181.12129	3.9
189.11270	8.4
191.10707	6.1
197.13121	3.6
209.11635	19.6
219.13916	3.2
223.13242	21.0
228.41017	2.8
229.19594	3.2
237.11197	10.6
239.17874	7.0
247.20555	7.8
255.12308	5.3
257.18939	14.3
265.21637	5.9
275.20032	100.0
276.20197	3.6
288.86047	2.7
293.21082	85.0
294.21539	4.1
311.22113	10.8
311.25449	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	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03926	3.5
55.01870	14.3
55.05505	66.1
57.03420	5.1
57.07061	3.5
67.05167	2.4
67.05499	32.4
69.03409	4.6
69.07063	21.8
70.89114	4.0
71.04966	6.3
73.32038	1.2
79.05051	2.5
79.05480	34.2
81.03404	7.3
81.07047	36.2
83.04971	53.0
83.08607	34.9
85.02896	8.2
85.06524	3.8
90.93267	1.4
91.05458	20.7
93.07030	35.9
95.04954	70.8
95.08599	17.8
97.06525	8.9
97.10160	27.7
99.04426	6.5
99.08086	2.3
105.07015	22.5
107.04955	8.1
107.08578	39.6
109.06519	8.8
109.10146	11.6
111.03691	2.6
111.04426	47.9
111.08061	14.4
117.06977	7.0
119.08561	20.1
121.06488	4.6
121.10130	22.4
123.08046	5.8
123.11679	2.6
125.05977	2.7
125.09620	27.7
129.06938	3.5
129.13362	1.5
131.08565	17.9
133.10109	9.9
135.08022	6.8
135.11665	12.5
137.09618	2.1
139.11154	2.9
143.08542	2.7
145.10094	21.3
147.08032	4.2
147.11641	8.3
149.07802	1.7
149.09604	40.4
153.09081	4.9
153.12720	8.7
155.08543	1.5
157.10202	2.7
159.11697	8.5
161.13173	2.4
163.11160	34.1
167.10744	2.4
171.10181	2.0
171.11673	2.6
173.09705	3.3
173.11818	1.7
173.13232	3.5
177.12747	3.7
181.12199	11.8
187.11119	3.5
189.11197	34.0
191.10619	8.4
191.29935	1.5
193.12262	2.7
205.12236	6.3
209.11714	10.8
211.13287	2.3
223.13258	87.6
224.13649	2.1
227.12704	4.7
229.19482	3.7
235.16968	3.6
237.11162	6.5
237.14732	2.4
239.17805	4.5
255.12335	2.1
257.19055	8.7
275.20035	91.2
293.21069	100.0
294.21426	3.4
311.22034	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	311.221
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03934	2.6
55.01854	4.4
55.05504	45.9
57.03424	3.0
57.07068	5.4
67.05493	24.2
69.03416	2.5
69.07059	12.2
69.47098	9.8
71.04993	2.4
72.66393	1.0
79.05480	14.2
81.03397	1.9
81.07043	33.9
83.04971	100.0
83.08614	7.9
83.95184	1.0
84.05293	2.2
84.21241	1.1
85.06538	2.3
91.05459	15.8
91.74789	1.0
93.07030	16.1
95.04959	4.8
95.08598	17.9
97.06538	6.4
97.07053	1.0
97.10165	2.9
99.08073	1.9
104.58026	0.9
105.07022	15.1
105.80332	1.2
107.04953	2.5
107.08585	15.0
109.06504	7.7
109.10145	12.9
111.04430	22.9
111.08076	4.7
117.06998	3.3
119.08575	15.7
121.06482	2.6
121.10123	10.2
123.08066	4.1
123.11690	4.5
125.05925	1.5
125.09632	3.5
129.06963	1.2
131.08588	6.0
133.10139	15.5
135.08040	2.3
135.11687	5.7
137.09598	5.0
137.13260	1.5
143.08540	1.2
145.10100	8.1
147.11662	8.3
149.02376	1.6
149.09599	5.5
149.13246	2.5
151.11185	4.5
153.12740	1.4
157.10144	1.8
159.11668	5.4
161.09593	1.6
163.11140	6.4
165.12691	1.6
169.10193	1.4
170.30211	1.2
171.11746	1.7
173.13205	2.9
175.11111	1.5
177.12727	1.1
180.32187	1.3
181.12270	1.4
182.74730	1.1
183.11758	2.0
187.14726	1.3
193.05035	2.3
197.13213	2.1
203.14349	1.5
209.11720	8.9
211.09554	8.5
215.17744	1.4
223.13258	3.3
229.19499	2.2
235.16881	1.5
237.11182	4.8
239.17828	3.0
247.20531	2.9
251.20064	1.7
255.12332	1.5
257.18967	7.3
265.21625	2.2
275.20029	42.9
276.20413	2.6
293.17648	1.9
293.20978	21.5
311.21716	2.1
311.25040	2.8
311.74887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01852	1.9
55.05503	12.0
57.07066	2.3
59.04994	0.5
65.03938	0.6
66.06443	0.4
67.05492	5.6
69.03409	1.2
69.07059	4.6
69.28240	5.2
71.04979	0.4
71.08626	9.5
79.05492	5.3
81.03400	0.8
81.07047	5.9
83.04599	0.4
83.04972	3.9
83.08604	5.7
85.06487	0.4
91.05477	2.4
93.07021	3.4
95.04951	2.9
95.08596	2.9
97.06524	0.5
97.10156	8.3
98.21246	2.2
99.08082	5.4
105.07040	1.9
107.04970	1.5
107.08590	4.3
108.05741	0.9
109.06502	1.5
109.10127	1.7
111.04427	1.9
111.08062	0.9
117.07037	1.0
119.08578	1.4
121.06502	4.0
121.10143	1.0
123.08065	1.3
123.11681	0.4
125.05992	0.8
125.09615	5.7
126.02397	0.4
131.08527	1.1
133.10086	1.3
135.08031	1.1
135.11670	0.7
143.10625	0.5
145.10158	0.6
147.11700	0.6
149.09586	1.6
149.13249	0.9
151.11139	2.0
153.05408	1.1
163.11174	1.0
164.11942	0.9
165.12704	0.9
177.12720	2.1
187.11104	0.5
189.11177	3.2
202.15810	0.5
209.11688	5.8
211.13202	0.5
223.13168	0.7
237.11224	4.7
247.20523	0.8
255.12296	1.1
257.18954	0.5
265.21359	0.5
275.20032	5.7
285.11670	0.4
293.21066	100.0
294.21454	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	311.221
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.40171	3.1
53.00499	3.1
53.23723	2.7
55.01860	4.7
55.05503	45.0
57.03428	11.8
57.07071	32.9
67.05505	26.9
69.07061	61.4
71.08619	14.1
71.62171	3.7
71.62623	4.6
79.05483	19.8
80.32211	4.4
81.07046	34.7
83.04955	10.0
83.08608	49.4
91.05475	15.5
93.07036	21.4
95.04968	7.2
95.08614	23.6
97.06531	7.1
97.10178	30.0
105.06994	14.0
107.04923	5.1
107.08584	18.2
109.10164	16.6
109.45288	3.2
111.04433	11.3
111.08066	5.3
111.11700	10.0
117.07034	5.4
119.08586	13.5
121.10143	19.7
123.08070	3.5
125.05996	4.9
125.09603	8.8
131.08545	13.1
133.10100	16.6
135.04362	5.5
135.08058	4.8
135.11656	8.8
137.09621	6.9
138.83488	3.8
145.10115	13.3
147.11613	6.1
149.09602	9.7
150.42320	3.2
153.05463	7.7
157.10083	3.9
159.11737	7.3
159.90648	3.5
163.11133	12.1
169.10165	3.7
173.13239	3.7
175.11159	5.7
181.12244	4.5
189.11246	3.3
190.89786	3.7
209.11696	27.6
237.11176	23.2
238.64569	3.9
239.17909	9.4
255.12238	8.4
257.19046	10.9
265.21768	4.0
275.20035	71.2
276.20520	5.3
293.17947	5.6
293.20935	22.6
311.25815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.96748	1.6
51.02371	1.6
53.03933	2.1
55.01851	6.4
55.05254	2.8
55.05504	45.8
55.63610	1.4
56.96540	2.0
57.03428	2.7
57.07076	13.6
59.04980	3.8
59.47383	1.5
65.03938	2.9
67.05499	77.5
69.03413	5.0
69.07060	69.4
69.42960	16.8
71.04972	7.6
71.08614	3.4
77.75493	1.7
79.05057	2.4
79.05488	42.5
81.03422	3.7
81.07049	100.0
82.07349	2.0
83.04981	11.4
83.08607	33.6
85.06526	13.7
85.10159	2.7
91.05463	31.7
93.07034	45.5
95.04950	9.6
95.08599	98.2
97.06519	10.0
97.10157	24.5
99.08078	8.9
105.07024	28.7
105.67518	2.0
107.04942	4.4
107.08580	39.5
109.06492	6.9
109.10148	62.7
111.08072	8.9
111.08768	1.6
111.11708	14.2
117.07000	12.0
119.08565	29.4
121.06474	5.5
121.10130	28.6
123.08063	5.5
123.11684	23.9
125.09621	18.8
125.13242	3.4
129.07037	2.5
131.08546	16.1
133.10114	24.6
135.08038	5.9
135.11691	11.6
137.09575	9.2
137.13196	11.5
139.11139	3.9
143.08595	4.4
145.10110	16.3
147.08104	2.6
147.11662	15.9
149.09618	13.1
149.13213	11.0
151.11192	2.5
151.14810	7.9
153.12703	3.0
155.10637	2.2
157.10126	5.9
159.08084	1.7
159.11659	11.3
161.09578	2.8
161.13266	3.8
163.11195	9.9
163.14778	6.3
165.12729	2.7
165.16370	3.8
167.14302	3.2
169.10065	2.6
171.11682	3.4
173.02260	2.0
173.11719	11.1
173.13249	7.7
175.11217	3.3
175.14781	2.4
177.12854	3.4
177.16347	2.0
181.12305	2.0
183.11711	4.1
185.13150	2.6
187.14732	1.9
189.11224	10.4
195.13914	2.6
197.13249	3.0
213.05542	3.8
213.16441	2.2
219.17525	2.1
223.13289	2.3
229.19435	4.4
233.18988	2.6
235.16951	3.1
239.17914	6.6
247.20671	3.0
249.18631	1.6
257.18958	12.6
267.13745	2.1
275.20032	93.8
275.27231	4.3
276.20389	3.4
293.21109	23.8
293.28467	8.9
311.12732	3.3
311.22165	5.1
311.29367	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	311.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83942	6.5
55.05495	26.9
57.07063	20.6
67.05495	47.3
69.07056	67.7
71.62637	11.6
79.05477	25.2
81.07040	55.3
83.04961	11.0
83.08606	20.7
91.05482	41.6
93.07027	100.0
95.04964	61.1
95.08591	90.8
97.06515	29.2
97.10120	10.4
105.07021	71.5
107.08567	50.2
109.06495	14.7
109.10139	44.1
117.07011	14.6
119.01519	6.3
119.08567	78.0
121.06477	27.0
121.10151	40.6
123.08071	31.5
123.11683	16.2
129.06949	9.9
131.08553	25.1
133.10143	47.0
135.08051	13.1
135.11671	13.0
142.07814	9.1
143.08562	15.0
145.10124	50.7
147.11671	26.7
153.05508	8.4
155.08510	8.2
157.10066	22.7
159.11694	61.3
161.09622	22.2
161.13293	11.5
171.11732	13.4
173.13300	12.6
175.14743	17.1
177.16371	15.7
185.13275	9.8
187.11111	8.8
189.16345	21.9
201.16417	9.1
209.11693	16.1
237.11200	26.5
274.38034	8.5
275.20084	9.1
311.23636	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	0.8
55.01859	1.4
55.05504	39.1
55.40052	0.4
57.03429	15.3
57.07068	19.7
59.56748	0.5
67.05498	5.5
69.07058	42.9
70.07399	0.8
71.04986	0.6
71.08227	0.6
71.08621	12.0
71.36546	0.8
73.02887	1.0
79.05466	3.2
81.07049	7.7
83.04957	1.7
83.08607	39.8
84.08917	1.0
85.06512	0.6
85.10164	4.5
93.07029	4.3
95.08590	6.1
96.33376	0.5
97.06526	3.6
97.10152	26.0
97.24512	0.4
98.10513	0.8
98.21169	0.7
98.70055	0.5
104.36758	0.5
105.25088	0.4
107.08587	3.3
109.10114	2.2
111.08055	1.6
111.11707	8.1
121.10138	4.5
123.11706	0.7
125.09624	1.3
125.13277	2.3
135.11650	4.2
137.13242	1.0
139.11156	0.9
149.13245	2.1
153.12767	0.8
163.14801	1.2
186.26871	0.5
218.28552	0.5
219.21077	1.0
223.79240	0.5
237.22061	1.3
240.49469	0.4
258.91882	0.4
262.71646	0.5
311.25757	100.0
312.26108	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	0.7
55.01866	1.8
55.05507	40.9
57.03182	1.0
57.03434	16.2
57.07071	20.0
67.05502	6.4
69.07063	47.4
69.57603	5.2
71.04978	0.7
71.08627	12.8
73.02894	1.0
79.05483	3.9
81.07054	8.1
83.04962	0.9
83.08612	41.2
85.10173	5.5
93.07033	5.1
95.08603	6.8
97.06532	3.9
97.10165	29.8
98.21510	0.6
107.08585	3.9
109.10149	3.6
111.08064	1.6
111.11716	9.8
121.10139	4.5
123.11727	1.5
125.09600	1.7
125.13269	2.2
129.05505	0.7
135.11674	4.6
137.13310	0.8
139.11172	1.8
149.13252	1.9
163.14798	0.7
167.14211	0.6
177.16422	0.7
193.63670	0.6
219.21045	1.4
282.68872	0.8
293.21036	0.6
311.25784	100.0
312.26135	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	1.2
55.01837	0.6
55.05505	35.4
57.03431	14.3
57.07070	19.0
67.05160	0.7
67.05498	7.0
68.99771	1.2
69.07061	39.2
69.29942	2.8
69.30373	3.1
71.08624	10.6
79.05476	4.0
80.64168	0.5
81.07052	8.5
83.04951	2.0
83.08608	35.9
85.10175	4.8
89.03523	0.5
91.05458	1.7
93.07031	5.5
95.04964	1.2
95.08597	5.7
97.06522	3.6
97.10160	27.6
105.03372	1.0
105.06992	1.1
107.08583	3.8
109.06487	0.7
109.10137	2.8
110.29674	0.6
111.04432	1.1
111.08056	2.3
111.11714	8.5
112.34653	0.6
117.52419	0.5
121.10136	5.7
123.11661	1.8
124.26408	0.6
125.05977	1.0
125.09592	1.3
125.13264	1.2
132.28282	0.5
135.04399	21.8
135.11687	3.9
137.13237	1.2
138.71722	0.5
139.11151	1.0
146.07271	1.5
147.04366	0.6
149.13245	1.8
151.95908	0.6
153.12677	0.6
161.09602	32.5
162.09917	1.8
163.14784	1.0
167.14403	0.6
177.05479	2.5
203.10747	1.1
209.11722	2.6
219.21033	1.4
223.13229	0.6
225.33881	0.5
237.11197	2.2
237.22198	0.6
307.80066	0.6
311.16391	23.8
311.25769	100.0
312.16571	4.0
312.26138	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.294
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
50.85855	1.6
53.03946	1.7
55.01871	2.9
55.05505	28.0
56.65974	1.8
56.96554	2.7
57.03426	3.1
57.07070	24.9
59.04998	1.8
67.05498	31.9
69.07065	67.2
70.07415	2.1
71.04990	2.4
71.08620	15.1
71.61825	2.5
79.05478	14.1
81.03423	2.4
81.07051	100.0
83.04984	2.8
83.08611	33.7
85.06541	14.8
91.05470	10.6
93.07035	23.5
95.04937	2.2
95.08599	81.9
96.08916	1.9
97.06525	5.0
97.10162	22.6
98.10435	2.0
98.97594	2.3
99.08076	13.0
105.07036	7.2
107.08578	22.3
109.06508	2.4
109.10146	47.9
110.10525	1.6
111.08076	14.9
111.11702	16.4
113.09646	2.7
117.07022	2.2
119.08517	3.7
121.06503	1.4
121.10120	13.1
123.11690	29.5
125.09631	3.9
125.13264	8.7
127.11145	1.9
131.08585	3.8
133.06548	1.8
133.10103	4.8
135.11691	8.7
137.05989	3.9
137.13254	29.7
139.03886	5.5
139.11153	3.5
139.14876	2.1
145.10112	4.2
147.11739	2.2
149.09653	2.5
149.13248	20.6
151.14824	7.8
153.12703	2.1
155.14270	3.2
159.11649	2.1
163.11134	1.9
163.14749	8.8
165.16367	3.0
167.14311	9.1
179.17932	3.2
183.17308	2.1
187.03889	2.5
191.17920	2.5
212.40892	1.7
213.05432	3.6
214.18069	2.0
267.13818	2.0
275.19992	5.5
275.27408	4.2
281.28488	2.2
293.20380	1.6
293.28284	22.8
311.09399	2.6
311.12891	4.8
311.16190	2.1
311.29379	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	311.294
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
50.91190	1.4
52.30323	1.3
53.03945	2.1
55.05256	2.0
55.05505	40.2
57.07070	23.5
59.04980	2.0
67.05154	2.6
67.05495	33.9
69.03429	2.1
69.07059	100.0
69.74846	10.2
71.04980	1.5
71.08620	10.0
73.06544	1.8
74.75753	1.3
79.05485	13.0
81.07048	93.0
82.07355	1.5
83.04970	3.7
83.08131	2.3
83.08614	44.7
85.06530	15.4
85.10181	3.1
91.05461	4.2
91.66713	1.3
93.07032	24.5
95.04932	2.1
95.08595	89.2
97.06513	6.3
97.10151	29.8
98.20751	1.5
99.08080	14.5
105.07005	5.3
107.08580	25.7
109.10143	56.2
110.10495	1.9
111.08062	10.0
111.11703	20.3
119.08553	4.0
121.10129	15.6
123.11694	29.4
125.09633	3.2
125.13277	7.3
129.06894	1.9
133.10115	1.9
135.11652	13.1
137.13245	18.1
139.14833	1.8
147.11691	3.0
149.13237	20.2
151.14780	10.1
151.45909	1.7
153.12738	8.6
157.10075	1.7
159.11716	2.5
163.14799	9.3
165.16391	6.5
167.14288	4.5
177.16360	3.6
179.17978	3.3
184.16919	1.8
191.17877	1.8
193.19322	1.9
205.19513	1.5
219.21005	1.7
249.25708	1.8
249.38808	1.4
265.25128	3.2
266.21243	2.2
275.20035	1.5
275.23639	2.1
275.27267	5.9
293.24713	5.7
293.28354	15.0
294.20633	4.1
311.12695	2.7
311.25815	3.9
311.29330	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	312.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01862	0.8
55.05502	0.3
56.05020	0.2
56.96555	2.8
57.03428	1.5
59.04980	0.3
60.04501	0.2
61.02921	2.2
69.03421	4.5
69.07034	0.1
70.03733	0.1
70.06576	0.5
70.31430	0.1
70.55030	0.1
70.55344	0.3
71.01342	0.1
71.04982	1.9
72.04510	0.1
72.05355	0.1
72.08147	0.4
73.02902	1.4
74.06060	0.3
75.73699	0.1
76.07644	0.1
77.00891	0.1
79.05495	0.2
81.03398	1.9
82.06576	0.1
83.01331	0.2
83.04964	0.2
84.08134	0.4
84.96015	0.3
85.02894	10.5
86.03236	0.4
86.09691	0.3
87.04446	1.2
88.07639	0.1
91.03948	0.7
91.05460	0.1
95.06076	0.4
95.08586	0.2
96.04494	0.1
97.02878	4.6
98.03220	0.2
98.97567	2.0
99.04436	1.1
101.02375	0.2
102.96890	0.2
104.07031	0.1
107.04932	0.2
108.08132	0.3
109.02867	1.3
109.05116	0.5
110.06009	0.2
110.07140	0.2
110.97552	0.2
111.08117	0.1
113.03466	0.5
113.35441	0.1
115.02395	0.1
115.03914	0.6
116.98612	2.3
117.04010	0.4
117.05614	0.2
117.98986	0.2
118.06516	0.1
119.01881	0.7
119.04945	0.2
120.08058	0.1
120.97900	0.2
124.07581	0.2
127.03899	3.0
128.04251	0.2
128.98611	0.6
130.93256	0.3
131.00136	0.4
131.01880	0.3
132.01826	0.2
132.08083	1.6
132.08998	0.2
133.05032	10.5
134.99641	2.2
135.05046	0.2
136.06166	1.0
136.07544	0.5
137.02934	0.2
137.05960	0.2
138.05463	0.1
138.98946	0.2
140.02373	0.2
143.00156	0.2
145.03459	0.3
145.04935	2.4
145.10110	0.2
146.99637	1.0
147.03250	0.3
147.04376	0.4
148.07549	0.2
149.01192	0.5
150.07733	100.0
151.06215	0.2
151.08188	1.4
152.04231	0.2
152.06998	0.4
153.00604	0.4
154.93240	0.1
155.02946	0.1
157.01718	0.2
157.03456	0.2
158.01375	0.2
158.99625	0.5
161.01196	0.5
161.02950	0.5
161.04628	0.2
162.00153	0.2
163.02771	0.2
163.04272	0.2
163.06036	0.6
165.00729	0.4
167.02072	0.3
170.05029	0.1
170.99622	0.2
171.55457	0.1
172.02753	0.2
172.04779	0.3
172.94234	0.3
173.03011	0.2
174.97630	0.2
175.02744	0.2
176.99203	0.2
177.00754	0.8
177.04176	0.3
178.04970	0.3
179.02118	0.2
180.04507	0.2
180.99998	0.2
181.03568	0.3
182.03288	0.1
183.00810	0.2
185.02861	0.1
186.99109	0.4
189.00677	0.5
190.95276	0.8
192.98582	0.3
193.00198	0.2
195.01675	0.2
199.04352	0.2
201.00648	0.4
201.04340	0.3
208.96426	0.5
209.12857	0.3
210.04184	0.2
210.06294	0.2
211.00252	0.2
211.02689	0.2
211.04669	0.2
216.96814	0.2
216.98674	0.3
219.01787	0.8
220.02260	0.2
221.04959	0.6
222.05664	0.3
223.04642	0.2
230.06725	0.3
230.09163	0.2
231.04425	0.2
231.07721	0.2
232.04926	0.2
232.96445	1.0
234.99692	0.7
237.02766	1.4
245.13867	0.3
249.01416	0.2
250.97459	0.5
263.00964	0.2
264.95117	0.1
268.20148	0.2
269.05170	0.1
281.05524	0.3
294.09723	0.2
295.06860	0.4
297.15869	0.1
306.96646	0.2
307.13785	0.3
311.58795	0.2
311.61465	0.1
312.12979	31.1
312.60019	0.2
313.03152	0.3
313.07358	0.3
313.13254	1.2
323.10144	0.2
324.10428	0.3
330.01620	0.2
330.07416	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1295
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
50.27924	0.3
56.96537	1.0
57.03416	0.7
58.90070	0.3
59.27218	0.3
69.03403	0.8
69.07046	1.3
70.00647	1.5
70.06585	2.6
71.06092	0.4
72.39973	0.3
73.06514	0.3
76.13788	0.4
81.03407	0.4
81.07021	0.4
85.02896	1.1
89.34792	0.3
97.02900	0.3
97.06448	0.4
107.04942	0.4
110.03509	3.8
115.07549	1.9
116.98596	0.4
123.04429	0.5
128.04517	0.7
129.86865	0.3
133.08571	0.7
137.08209	1.7
139.03972	0.4
147.04396	0.6
153.04062	2.6
162.07745	0.7
163.03859	0.7
163.18690	0.4
180.08772	100.0
181.09122	1.7
205.15411	0.3
213.12350	1.0
248.05641	0.4
248.10039	0.3
250.10674	0.4
267.03796	0.5
272.04279	0.3
312.12579	0.4
312.32544	0.3
313.08896	0.4
319.57468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01862	1.8
57.03429	3.6
61.02920	10.8
63.01657	0.6
68.81829	0.6
69.03424	14.4
69.06705	0.9
69.07066	10.2
70.06582	0.8
71.04972	2.2
71.12772	1.9
72.63048	0.6
73.02910	3.7
81.03407	5.8
85.02895	100.0
87.04459	2.9
87.07683	0.4
87.08096	19.8
91.03942	7.8
97.02881	23.4
99.04444	4.5
101.02334	0.9
105.09132	2.1
109.02854	6.1
115.07575	0.7
123.04443	1.5
127.03904	26.1
133.08588	6.9
137.21135	0.7
145.04942	52.5
147.04388	2.8
163.03902	2.5
163.06017	12.1
199.75041	0.8
295.13959	1.8
308.66379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01857	2.9
55.05507	25.8
56.05841	2.3
56.96560	9.1
57.03433	1.5
57.07073	12.1
60.08175	0.7
64.82428	0.8
67.05155	1.5
67.05496	18.8
68.05827	3.8
69.03426	1.2
69.07063	15.7
70.07386	3.6
71.03671	2.0
71.04975	2.1
71.08651	1.0
75.03764	0.8
78.38399	0.8
79.05487	11.7
80.05809	3.0
81.06565	1.4
81.07047	25.6
82.07385	5.2
82.46049	0.8
83.04974	45.9
83.08602	4.9
84.05296	2.2
84.08954	1.5
85.06530	2.2
91.05468	13.5
92.05809	4.7
93.07030	16.0
94.07363	4.5
95.04965	6.3
95.08049	0.9
95.08607	13.7
96.05276	1.8
96.08916	4.5
97.06533	2.3
97.10158	1.7
97.45891	0.8
98.06882	1.4
99.08080	0.9
104.10719	1.1
105.07024	14.7
106.07346	6.0
107.04965	5.3
107.08570	10.5
108.05274	2.6
108.08933	4.5
109.06512	7.3
109.10139	5.9
110.06844	2.3
110.10471	2.2
111.04431	10.0
111.08065	1.6
117.07032	4.2
118.07325	2.2
119.08584	10.0
120.08887	4.7
121.06503	6.6
121.10149	4.6
122.06818	2.5
122.10467	3.0
123.08040	3.7
123.11701	1.9
124.08395	1.2
124.12069	1.2
125.09566	1.1
128.98584	1.6
129.06972	1.6
131.08572	7.3
132.08890	4.2
133.06488	2.2
133.10124	10.2
134.10469	5.8
135.08012	2.9
135.11682	2.8
136.08365	1.3
136.11996	1.6
137.09622	1.6
141.06969	1.0
143.08490	1.3
144.08943	1.0
145.10104	6.0
146.10452	4.7
146.63478	0.8
146.99626	4.1
147.07976	2.1
147.11642	7.9
148.08453	0.9
148.10893	0.8
148.11969	4.5
149.09584	3.3
149.13249	2.3
150.09972	1.6
150.13564	1.1
151.11195	5.5
152.11530	1.9
155.03697	1.1
156.08875	1.2
157.10083	1.9
158.10484	1.4
159.08032	1.2
159.11716	4.7
160.11989	2.6
161.09601	1.1
161.13155	1.4
162.09857	1.4
162.13525	1.2
163.11111	2.4
164.11551	1.9
171.03239	1.5
171.11720	1.3
173.13258	2.7
174.09866	1.2
174.13573	1.7
175.02757	1.5
175.11136	1.8
175.14796	0.9
176.11577	1.6
177.12669	1.6
178.13092	1.0
183.11673	1.0
184.12022	1.2
185.04839	2.1
187.11156	1.2
187.14699	1.0
188.11501	1.3
189.04240	1.3
191.14232	1.6
199.06389	2.7
201.04285	1.0
201.12692	1.2
202.13083	1.6
203.05957	4.0
207.13918	1.1
208.14084	1.3
210.12083	1.0
211.09599	3.4
215.14284	1.2
217.07440	6.8
217.15758	1.0
219.13812	2.3
220.14064	2.4
221.06911	1.0
223.02786	1.8
223.08517	1.6
226.05125	1.0
229.19615	1.5
230.19873	2.0
237.04366	3.4
238.11636	1.1
239.17882	1.2
240.18257	1.6
248.20859	2.9
249.07924	1.0
255.05423	1.1
257.18991	5.7
258.19302	10.9
267.08997	1.4
275.20032	36.2
276.20383	100.0
277.20764	2.1
280.09900	2.5
292.19894	1.3
293.21027	14.7
294.21432	50.8
298.10690	1.0
307.15784	1.6
312.32532	1.8
331.15753	13.0
332.15924	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05505	32.3
56.96547	0.8
57.07068	27.8
61.53084	0.4
61.88287	0.4
64.67623	0.4
67.05492	0.8
69.03436	0.4
69.07059	0.9
70.24202	1.4
70.24582	0.9
71.21516	0.4
79.05460	0.6
81.07057	1.1
83.04971	100.0
83.08599	0.6
84.05302	1.0
85.06537	3.3
93.07025	1.0
98.21548	0.5
101.71408	0.5
105.07054	0.5
109.10159	0.6
111.04430	26.6
119.08632	0.4
129.05475	0.7
135.11693	0.4
141.84273	0.4
164.60934	0.5
193.08565	1.2
195.10175	1.2
211.09590	2.5
213.11172	4.7
234.68600	0.5
301.67047	0.6
310.67734	0.5
313.16486	0.9
313.28506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.05507	27.6
57.07071	29.7
69.88090	2.9
83.04974	100.0
84.79040	0.6
85.06542	3.0
98.20856	0.7
101.06004	0.7
111.04432	26.6
116.80740	0.5
129.05455	0.7
193.08595	0.7
211.09648	12.9
213.11259	1.0
246.51743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01872	0.5
55.05506	29.5
56.96553	0.9
57.07070	27.8
60.44349	0.5
67.05489	0.7
69.07040	0.6
70.89126	0.9
70.89486	1.0
76.83044	0.5
79.05448	0.5
80.11002	0.5
81.07051	0.8
83.04973	100.0
85.06532	3.1
85.72475	0.4
95.08620	0.9
98.21364	0.7
101.06021	0.9
107.08604	0.8
109.10156	0.6
111.04430	25.8
112.04683	0.5
121.10159	0.5
129.05466	0.7
166.41594	0.5
193.08632	1.0
211.09610	10.9
213.11325	1.8
306.31113	0.5
313.16800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05507	31.9
57.07072	30.6
70.67777	1.4
83.04973	100.0
84.05304	0.7
85.06535	2.8
91.28381	0.5
101.06029	1.1
111.04433	26.1
129.05516	1.1
148.90907	0.4
180.96776	0.5
191.04314	0.5
193.08629	1.1
211.09637	9.8
211.11462	0.7
213.11244	1.7
222.39311	0.5
313.16888	0.7
313.88171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68677	0.4
55.05501	5.7
57.03431	15.1
57.07070	44.2
67.05500	6.9
69.07059	8.2
70.00756	0.6
70.01183	2.0
71.08624	30.3
79.05458	0.7
81.07047	11.5
83.08611	8.6
85.06520	0.7
85.10172	14.8
85.62101	0.5
89.06027	3.1
93.07040	0.7
95.08594	16.7
97.06551	0.5
97.10143	3.7
98.20856	0.9
98.21423	0.6
99.11693	1.2
103.07561	1.7
109.10138	7.9
109.72788	0.4
111.08058	0.5
111.11675	1.4
117.09140	0.5
119.94704	0.5
123.11675	3.7
125.13251	0.6
137.13245	1.4
152.36835	0.5
165.16316	0.6
183.34387	0.4
220.32684	0.5
239.23642	3.9
250.40332	0.4
257.24738	5.0
283.85400	0.5
298.27499	0.9
313.27328	100.0
314.27557	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.8
56.41681	0.4
56.99903	0.3
57.03432	14.8
57.07069	43.4
67.05167	0.6
67.05495	8.1
69.06725	0.5
69.07063	7.5
69.38205	4.0
71.08623	27.0
71.52048	0.4
72.08943	0.4
76.21350	0.4
79.05468	1.1
81.07050	10.9
83.08608	8.2
85.06557	0.5
85.10172	15.6
89.06016	2.4
93.07023	0.6
95.08596	16.2
97.06499	0.5
97.10159	4.9
98.21455	0.8
99.08071	0.5
99.11698	1.2
100.41587	0.3
103.07556	2.1
107.08575	0.8
108.11212	0.4
109.10149	6.9
111.11703	1.1
113.13239	0.4
117.09113	0.6
122.80277	0.4
122.81170	0.4
123.11713	3.1
125.13246	0.8
137.13202	1.3
157.06363	0.4
165.16179	0.6
221.22716	0.6
232.05165	0.4
239.23645	3.1
257.24701	3.9
275.25787	0.6
298.27444	0.4
313.27328	100.0
314.27661	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
55.05507	5.4
57.03144	0.5
57.03430	12.9
57.07068	42.7
60.08135	0.9
67.05498	8.0
69.07059	7.1
69.38059	3.8
69.38477	1.0
71.08623	27.1
75.04457	0.8
79.05490	0.7
81.07050	11.5
83.04964	1.1
83.08607	8.3
85.06521	0.8
85.10172	14.4
89.06010	1.9
91.05439	0.7
93.07028	1.5
95.08594	16.2
97.10158	4.7
99.11717	0.9
103.07561	1.3
107.08570	1.1
109.10139	7.6
111.04483	0.5
111.08077	0.4
111.11693	1.7
111.94774	0.4
113.13276	0.5
117.09134	0.7
119.08541	0.7
121.10145	0.5
123.11696	2.7
125.13239	0.6
135.11693	0.7
137.13234	1.4
147.65549	0.4
151.14777	0.6
165.16441	0.5
212.23755	1.0
221.22736	0.7
239.23692	4.2
252.67659	0.4
257.24710	3.5
284.63397	0.4
298.27460	0.9
313.27335	100.0
313.36423	3.6
314.27734	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	314.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01862	2.9
55.05492	2.6
56.05010	1.0
56.96566	4.7
57.03429	6.6
57.07072	1.9
58.02962	1.7
58.06601	1.7
59.04983	3.3
60.04494	2.1
60.98876	0.7
61.02928	9.1
62.06098	1.0
67.05487	1.3
69.03062	1.5
69.03424	19.5
69.07072	0.9
70.06592	3.7
71.01347	1.7
71.04987	21.8
71.52826	1.8
72.04492	0.8
73.02901	3.6
73.06522	1.1
74.06058	2.7
75.04453	1.0
76.03991	3.6
79.05434	0.9
81.03408	7.3
81.07039	1.2
83.04976	6.0
85.02898	52.9
85.06553	1.9
86.06064	4.2
87.04459	3.0
88.03969	1.0
89.06024	100.0
89.63260	0.8
91.03941	3.5
95.06087	3.8
96.04438	1.2
97.02882	21.6
98.06057	1.1
98.97572	14.4
99.04443	6.7
101.02359	1.1
101.06026	6.0
104.07097	1.4
107.04964	1.1
108.08097	2.2
108.54928	0.8
109.02863	5.7
112.07606	1.1
115.03876	1.3
116.07089	2.7
116.98611	13.1
117.05482	1.4
119.01936	1.1
127.03906	13.2
128.98575	1.0
130.08627	0.7
133.04913	0.9
134.05980	1.0
134.08073	2.4
134.09654	1.2
134.99657	7.4
135.06523	41.5
136.06194	8.6
136.07265	1.1
136.07489	0.9
143.01888	3.1
143.03334	1.3
145.04945	8.4
147.04372	1.3
152.07280	5.0
152.09167	40.9
152.10559	2.3
153.00684	0.9
158.99625	8.6
159.03296	1.3
161.01210	0.9
161.02951	6.4
161.04640	1.9
173.02982	0.8
177.00716	15.1
178.07156	0.8
179.03432	1.1
185.02911	1.1
190.95340	0.9
191.04010	0.9
191.05768	2.3
192.05399	0.8
195.01683	1.2
196.08067	0.8
200.02293	1.2
201.00691	0.9
203.02322	1.4
203.04024	2.0
211.14398	2.5
219.01740	7.5
237.02800	3.1
245.05005	0.9
248.99168	1.2
270.21719	2.2
287.09726	1.8
296.13266	1.6
303.07391	4.8
314.08945	1.7
314.14917	6.7
315.07352	1.2
315.10541	6.2
321.08621	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	314.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
56.96549	2.9
59.61489	0.9
61.02917	1.7
61.39620	0.9
67.05482	1.2
68.04500	0.8
69.03426	2.2
70.06581	2.2
71.04974	0.9
71.60295	1.7
72.08154	1.6
73.02937	1.4
73.06547	48.8
74.06883	1.4
81.03420	1.4
81.07059	1.6
85.02894	9.6
89.06019	22.5
89.45525	1.1
90.86101	0.9
95.04973	1.5
97.02890	4.4
98.97603	2.0
101.02378	1.4
105.03381	1.4
106.76695	1.1
107.04964	2.3
107.07076	1.7
109.02838	1.3
116.98613	1.6
117.03389	1.4
117.09116	5.2
122.03654	1.3
123.04437	4.3
124.07617	1.9
127.03875	2.5
131.04877	1.3
133.02849	4.7
135.04420	2.2
135.10153	100.0
136.10498	1.3
145.02811	1.3
145.04990	1.6
150.03107	11.7
150.05453	2.2
151.03851	3.0
152.01637	2.2
152.07036	5.5
154.02634	1.9
161.02347	4.2
163.03902	6.1
164.04230	1.2
178.02528	1.5
178.04965	1.6
179.03352	10.3
185.09090	1.1
288.47861	1.0
314.12769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.196
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.01864	0.7
55.05508	0.8
56.96553	0.3
67.05502	1.1
68.05023	1.4
69.05809	1.2
69.07058	0.6
70.06587	37.4
71.04990	3.6
71.15795	0.3
71.16102	0.2
72.08150	0.5
72.30506	0.3
73.87418	0.2
79.05483	1.2
81.03422	0.5
81.07049	1.4
82.06578	0.7
83.04975	0.7
83.07359	1.7
83.08618	0.4
84.08123	1.2
85.02902	0.5
85.06528	0.4
88.03965	0.3
91.05482	0.6
93.07059	1.7
94.80302	0.2
95.04977	0.6
95.08585	0.7
96.08128	0.8
97.06520	0.5
97.10177	0.5
98.06055	0.5
105.07030	0.8
107.04945	0.4
107.08590	0.9
109.10138	0.5
111.04440	1.6
111.08059	0.4
119.08577	0.5
121.06470	0.3
121.10139	1.4
123.04408	1.3
123.08021	0.3
124.07520	0.4
131.08586	0.4
133.10127	0.4
134.99588	0.3
135.11687	0.8
137.05951	0.7
138.06276	0.3
140.07033	0.6
140.87013	0.2
142.08658	1.8
145.10089	0.7
145.87538	0.2
149.09698	0.3
151.07520	0.4
152.07866	0.6
153.12743	0.8
158.08119	0.4
163.11111	1.4
173.09666	0.3
181.12196	1.0
191.03426	0.6
191.10699	0.5
226.18016	2.0
227.12822	0.7
236.16425	3.5
254.17496	43.8
255.17786	1.2
278.17654	0.5
296.18527	5.8
313.03967	0.3
314.19586	100.0
315.05121	0.3
315.08597	0.9
315.12366	0.6
315.19907	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1046
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.05504	0.4
56.96564	0.7
57.03432	0.4
61.49683	0.3
68.80048	0.3
69.03434	0.7
70.29607	1.3
72.08135	0.3
81.03398	0.4
82.06563	3.9
83.79667	0.3
85.02897	1.1
87.73695	0.3
90.24011	0.3
91.05452	0.3
93.20434	0.3
95.08628	0.3
97.02856	0.4
98.97590	0.6
107.04953	0.4
116.98592	0.7
119.01920	0.6
135.04427	0.5
145.03409	0.3
153.05347	1.0
153.06552	6.4
159.03433	0.4
159.04945	0.3
161.02972	0.3
163.03923	0.9
179.03374	0.4
185.04190	0.7
195.07681	0.8
213.06085	0.4
221.05095	0.6
222.48865	0.3
285.08157	0.5
315.10461	100.0
316.10800	3.3
333.09537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.8
55.01865	7.4
56.96560	14.9
57.03433	13.8
57.06819	1.5
57.07071	16.1
58.99834	1.8
60.00272	1.3
61.01107	1.5
61.02920	12.1
62.06067	1.9
67.05492	14.3
69.03074	2.6
69.03423	39.6
69.07072	1.8
70.03743	1.8
71.04968	3.9
71.05662	1.5
71.06006	3.0
73.02911	13.5
76.98888	1.3
77.00907	1.7
81.03413	11.6
81.07053	2.1
82.99858	1.5
83.04969	2.5
84.04479	1.7
84.08118	1.4
85.02898	95.7
85.06539	8.0
86.03226	3.3
87.04453	6.2
91.03938	5.2
95.73799	1.4
97.02872	34.0
98.97568	16.3
99.04428	7.4
100.32148	1.6
101.00882	5.7
101.02362	2.8
103.02374	1.5
108.08096	3.6
109.02879	7.7
110.97552	2.3
111.02888	1.2
115.02354	2.0
115.03928	1.9
116.98617	18.3
119.01908	26.3
120.01991	2.6
123.05589	1.6
127.03902	37.0
128.04199	1.6
128.98578	6.0
129.03990	1.7
131.01888	7.6
132.03453	2.3
133.03473	7.7
134.99649	8.2
135.03198	1.8
136.07538	8.7
137.02898	3.8
137.05931	1.9
138.03317	1.6
140.96858	1.3
141.02245	1.5
143.01880	56.4
144.02019	6.5
144.03407	1.8
144.99788	4.8
145.01651	2.9
145.03477	7.2
145.04938	21.7
145.10120	1.5
146.99663	4.4
147.01337	1.5
149.02930	1.9
151.04434	2.6
153.03938	7.3
153.05635	5.1
153.06721	13.2
154.08618	3.0
155.01878	9.4
157.03484	4.3
158.99646	2.3
159.03284	3.6
159.04977	1.8
161.02942	100.0
162.03052	11.2
162.04524	4.3
163.00885	2.2
163.02705	4.2
163.03854	3.2
164.07068	6.8
167.01974	4.1
170.99529	1.9
171.05045	2.7
172.99287	1.9
173.02965	18.8
174.03162	2.0
174.04503	11.8
174.54628	1.6
174.97639	5.3
175.04503	5.0
177.00793	4.2
177.02415	2.1
177.04369	2.1
179.09094	1.3
183.04997	23.7
183.55077	2.8
184.04585	6.4
185.01361	2.8
185.02942	13.5
185.04590	2.2
185.06549	2.9
185.13202	1.5
186.02963	1.8
186.04459	2.0
187.02899	2.1
187.04510	3.2
189.00728	2.2
189.02397	1.8
189.06120	2.3
190.95424	3.1
190.98552	1.4
191.03960	3.2
192.05533	8.7
192.55719	1.4
192.98685	10.7
197.03006	3.6
197.06569	2.3
201.00665	1.9
201.06143	1.6
203.02286	2.8
203.03979	43.0
204.04100	5.5
205.00186	2.3
205.01950	1.8
205.05597	1.7
211.04504	2.6
213.00211	2.6
213.02379	2.0
213.06078	2.6
215.04012	3.6
216.07303	3.2
217.01970	1.8
217.05479	2.0
218.21262	1.5
219.00049	3.1
219.01872	5.5
221.04996	10.6
225.02597	1.9
225.07854	13.7
225.58017	2.7
227.07716	3.7
231.13547	1.6
233.05203	2.4
234.08382	11.7
234.58260	1.7
235.06503	2.9
237.02769	3.0
244.98146	1.8
245.05060	31.1
246.05222	3.5
247.04755	3.0
257.05026	2.8
262.99094	2.3
263.06116	16.6
264.06363	3.1
274.00687	1.5
275.06006	4.7
287.09729	44.0
288.09943	9.9
290.96973	5.3
293.07324	2.8
294.06226	1.6
295.08655	4.9
297.08475	2.7
305.07095	4.3
305.10803	5.2
306.10825	2.0
308.97940	1.7
315.07092	8.7
315.12555	3.4
316.13812	3.2
333.08557	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	315.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06468	0.5
50.31581	0.5
53.00275	0.5
55.05503	9.1
57.07070	100.0
58.07405	1.1
64.26628	0.6
67.05499	0.7
69.58324	3.4
69.58738	1.4
73.80079	0.5
77.37917	0.5
81.07067	1.6
83.04974	58.0
84.05301	1.2
85.06536	11.7
95.08601	0.8
105.07079	0.6
109.10242	0.7
111.04432	35.6
122.68775	0.6
129.05498	1.6
135.07085	0.6
198.29738	0.5
213.11194	15.5
219.73911	0.6
279.23148	0.8
315.18304	0.7
333.19278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.8
55.05496	9.7
57.03431	15.4
57.07072	4.1
58.01775	2.9
61.02908	7.3
65.03925	3.8
67.05484	20.6
68.99784	3.4
69.03419	29.7
69.07047	13.3
70.06580	11.5
70.60445	11.8
71.04980	12.6
72.08151	43.4
73.02905	9.5
79.05486	23.2
81.03402	23.1
81.07045	48.0
83.04976	11.3
83.08614	5.2
84.08129	3.4
85.02894	83.3
86.09694	6.5
88.87325	3.0
89.10782	22.0
91.05455	25.2
93.06455	6.2
93.07035	99.1
95.04962	19.2
95.08601	38.8
97.02875	21.9
97.06519	8.5
98.21385	4.4
99.04440	9.2
103.03931	5.0
105.07024	37.0
107.04935	7.1
107.08585	98.9
109.02882	5.0
109.06504	14.2
109.10122	17.5
111.04436	7.5
111.08097	6.5
115.03847	7.0
115.05470	5.7
117.06974	7.4
119.04901	4.5
119.08566	28.7
120.08123	6.4
121.06493	7.8
121.10134	17.1
123.04404	10.1
123.08054	8.1
125.06014	5.3
125.09662	3.2
127.03886	16.2
129.07001	9.4
131.04956	3.3
131.08542	14.1
133.04947	9.3
133.06456	4.7
133.10081	19.5
135.08025	6.1
135.11685	100.0
137.02310	4.3
137.09593	5.3
137.13225	9.0
141.06996	15.2
142.07767	4.3
143.08540	8.6
145.04947	11.3
145.06575	4.2
145.10147	15.1
147.04379	5.1
147.08049	8.9
147.11674	16.1
149.09633	7.9
151.07539	6.8
151.11177	12.0
153.01836	4.5
153.06998	6.6
153.12694	30.7
155.08527	7.5
157.06471	3.2
157.10059	9.4
159.08008	3.9
159.11670	10.2
161.09616	3.9
161.13190	4.3
163.11186	11.4
163.42862	3.1
165.07092	3.3
165.12749	41.7
167.08559	3.8
169.06474	8.9
169.10150	4.0
171.11665	7.7
173.09602	4.4
173.13274	4.9
175.07529	4.6
175.11110	3.9
175.30116	3.2
181.12213	6.2
183.11723	4.2
189.12704	7.5
190.04997	4.3
193.12231	6.6
195.02893	46.4
195.04469	8.7
197.06020	10.3
201.12762	8.8
207.13812	4.2
213.05484	10.1
219.13631	7.4
223.03885	22.0
225.05492	6.5
227.12723	7.0
231.13763	10.4
241.05005	7.4
243.13922	7.9
249.14877	7.5
254.17714	3.4
255.10240	4.1
261.14835	15.3
269.04477	51.7
270.04764	3.6
271.05908	4.2
279.15854	25.7
283.09622	12.1
287.05472	8.7
297.03986	7.8
297.16916	12.3
297.21762	7.7
298.04443	4.1
315.04849	29.3
315.12408	9.4
315.17670	19.8
315.23172	4.1
316.04507	3.5
328.44431	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	316.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.1
67.52288	2.3
70.04408	13.3
71.95229	3.1
91.05817	2.9
98.37038	2.0
98.97572	68.5
98.98184	5.0
116.98605	76.6
119.01917	10.1
134.98618	2.9
134.99648	55.2
137.02934	6.2
140.00183	3.0
153.00699	10.6
153.01778	2.8
155.01242	3.3
158.01221	3.5
168.05753	2.1
177.00931	22.8
178.01033	2.7
179.00729	6.0
190.95415	3.0
192.98705	4.7
208.96429	4.2
215.01637	2.4
216.98759	7.1
219.01991	40.6
220.02116	8.3
221.01717	13.2
232.96338	7.1
234.99792	19.6
235.99829	3.2
239.09506	2.8
242.03688	2.6
243.01826	2.9
250.97432	5.8
252.94475	4.6
253.00943	2.7
256.05093	4.6
256.96448	14.1
258.96341	3.7
261.00128	4.8
261.03003	72.8
261.05597	4.6
262.03156	4.2
263.02805	6.4
274.00894	3.8
274.97464	100.0
276.97809	2.9
277.00818	3.1
278.01105	2.8
279.00757	4.4
284.04547	3.9
288.92230	3.3
289.95575	6.2
290.45853	2.2
291.95389	3.4
292.98425	89.3
297.98935	4.3
298.95953	4.4
299.46268	2.6
301.51663	3.2
306.93024	3.0
316.07486	25.8
316.98694	3.7
333.96768	4.4
334.08759	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.8
59.00212	0.7
69.03423	2.3
70.06577	2.2
70.53349	1.8
70.53708	1.6
71.23405	0.7
72.08149	1.8
79.05479	1.4
80.23741	0.8
81.07054	1.3
84.08120	0.8
85.02881	3.1
85.07060	0.7
86.09692	1.2
89.03893	5.1
91.05463	3.6
97.02856	1.6
98.97555	2.1
101.44923	0.8
107.04932	3.0
109.06496	0.8
116.98601	1.6
117.03384	7.6
119.04908	4.7
120.05271	1.0
121.60954	0.8
123.04378	1.5
126.09147	2.7
127.03889	1.0
127.99072	0.8
128.98584	1.3
130.49811	0.7
134.99651	2.4
135.04408	14.8
136.07556	1.7
136.59155	0.8
137.05956	3.1
139.03865	1.0
145.02853	12.0
146.99669	1.1
147.04395	11.9
148.04739	0.8
151.02524	0.7
154.08611	18.9
154.09816	1.7
155.07071	0.9
163.03896	100.0
164.04204	2.3
177.05435	1.0
199.36794	0.8
219.01709	1.0
237.02737	1.9
288.49255	0.8
293.09167	3.6
316.13812	1.0
317.11987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79737	0.2
55.05507	1.1
56.28197	0.2
57.03438	0.3
57.15523	0.2
69.03393	0.3
70.06557	0.2
70.68092	0.2
70.97777	0.7
72.08124	0.2
79.05495	0.5
81.03393	0.2
81.07063	1.2
82.06561	0.3
83.08582	0.3
84.04485	0.3
84.08089	0.2
85.02895	0.8
97.02857	0.3
97.05268	0.4
98.06041	0.5
98.09686	0.4
98.97578	0.3
100.14064	0.2
106.00526	0.2
108.08067	0.7
109.06493	1.1
110.06016	0.7
111.06758	0.3
124.07545	0.2
125.08279	0.2
126.09140	0.9
134.04495	0.2
139.06282	1.0
141.52403	0.3
143.81909	0.2
154.08612	100.0
155.08968	0.7
261.62128	0.2
266.51266	0.2
268.82513	0.2
271.00464	0.2
317.01010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19324	0.5
53.03931	0.7
53.43391	0.4
54.39722	0.4
55.01841	0.9
55.79181	0.4
56.96547	0.5
57.03431	1.1
58.82465	0.4
59.40411	0.4
60.04517	0.7
60.11163	0.4
61.02908	1.9
67.05518	0.6
68.05021	0.4
69.03418	6.4
69.07066	0.7
70.06581	2.0
70.60606	1.2
71.04962	0.7
71.80733	0.5
72.08137	1.7
73.02897	1.1
79.05477	1.2
80.05021	0.6
81.03409	1.4
81.05802	0.7
81.07038	2.6
82.06558	1.9
84.04482	0.8
84.08128	0.5
85.02899	8.6
86.09702	5.9
87.04475	1.1
88.84326	0.5
89.03929	0.4
91.03915	0.6
91.05472	3.8
93.05760	1.3
93.07027	1.4
94.06563	1.3
95.04943	1.2
96.08117	4.0
97.02879	3.9
106.06519	0.5
107.04940	0.7
108.08105	18.4
109.02877	1.1
109.06541	0.9
110.06040	1.4
111.04441	0.4
116.07076	2.4
118.06541	0.8
119.04929	0.9
121.02825	0.6
121.06479	0.5
122.03587	0.4
123.04418	5.4
123.06779	1.3
124.07578	18.9
126.09145	0.5
127.03898	2.1
130.06534	0.8
134.99603	0.6
136.06412	0.8
136.07556	13.9
137.02298	0.5
137.05946	3.4
138.09096	0.8
139.03920	2.3
145.04935	1.4
147.04466	2.8
153.01869	0.8
153.05424	0.9
154.08612	100.0
155.03352	2.1
155.04510	0.8
155.06818	0.5
155.08932	1.7
161.05997	1.0
163.03886	1.4
165.05464	7.3
165.06815	0.6
166.08646	1.5
171.14980	0.6
173.12926	1.6
176.06918	0.5
177.05501	0.8
178.08627	1.3
185.04350	0.5
188.29587	0.5
190.18021	0.5
196.09732	0.5
199.14439	0.5
199.18028	1.0
203.05249	0.5
213.10135	0.4
216.22694	0.4
227.17453	0.7
276.44379	0.5
287.10220	0.9
299.05649	0.6
299.09073	0.7
299.12579	0.5
316.08029	0.7
316.11578	1.9
316.14240	2.2
316.28513	0.5
317.06351	1.0
317.12323	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	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.04234	0.3
55.01875	0.3
55.05508	4.9
56.05028	4.4
57.03443	0.9
57.07082	2.3
60.04520	100.0
61.04868	0.4
63.19377	0.3
64.83002	0.3
67.05497	7.1
68.05019	0.8
69.07062	5.1
69.34424	1.7
69.34848	1.8
71.08624	0.5
72.04490	1.7
74.06078	2.3
79.05487	3.6
80.05019	0.9
81.07047	8.2
82.06573	1.2
83.04965	1.4
83.08603	3.0
84.08135	0.4
85.10180	0.3
85.33430	0.3
86.06033	0.6
87.04468	1.3
90.05555	1.0
91.05460	2.5
93.07037	3.6
94.06569	0.6
95.04964	0.7
95.08599	6.3
96.08127	0.6
97.06557	0.7
97.10162	2.0
98.06062	0.7
105.07027	1.2
107.08606	1.3
109.10153	2.5
110.09682	0.5
111.04427	0.3
111.11690	0.5
112.07602	0.5
116.07141	0.3
119.08565	1.3
121.10143	1.6
122.09640	0.6
123.11698	1.2
133.10097	1.1
135.11687	1.2
137.09607	0.5
137.13231	0.5
141.33894	0.3
147.11703	0.4
212.08749	0.3
229.73549	0.4
250.25217	1.2
251.23674	0.5
262.25333	1.5
268.26392	0.5
272.42203	0.3
280.23218	0.6
280.26334	12.4
281.26752	0.5
298.27368	14.8
299.27701	0.9
316.28442	54.9
317.17215	0.4
317.20825	0.5
317.28711	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	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.56683	0.1
65.03915	0.5
68.99779	0.4
69.03403	0.1
70.06603	0.1
70.95220	0.2
70.95568	0.1
92.02606	2.4
93.03391	2.2
95.01291	0.1
95.04946	0.2
98.21107	0.2
109.02850	0.3
111.00800	0.2
120.02084	0.2
121.02847	1.8
121.06485	0.1
122.03632	0.2
123.04403	0.1
124.05245	0.1
126.03094	1.0
131.04921	0.1
133.02771	0.2
135.04369	0.1
135.08170	0.1
137.02298	0.6
137.05981	0.2
139.03871	1.4
145.06517	0.2
147.04362	0.1
149.02342	0.2
151.03885	1.4
152.01057	0.1
153.01807	14.2
154.02249	0.1
155.04897	0.2
161.05960	0.2
163.03897	0.4
165.01837	0.9
165.05530	0.2
166.02602	0.3
170.02092	0.2
172.05275	0.1
173.05981	0.4
175.07504	0.3
177.01770	0.1
177.05446	0.5
179.03424	0.3
183.02837	0.4
183.04448	0.3
187.03903	0.3
189.05458	0.1
190.06221	0.2
191.03419	0.1
192.04160	0.1
194.02213	0.1
200.04623	0.7
201.05467	1.5
201.14825	0.1
203.03365	1.2
204.04143	0.1
205.04875	0.2
211.03944	0.1
215.03416	0.1
217.04935	2.3
218.05705	1.2
219.02921	0.5
228.04140	3.2
229.04926	5.8
230.05423	0.1
231.02885	0.8
232.03612	0.2
233.04478	0.2
239.03508	0.1
245.04422	3.3
246.05228	3.0
247.02371	0.2
256.03693	0.5
257.04404	4.0
257.07025	0.2
258.05002	0.1
259.02301	0.2
260.03110	0.6
261.03992	0.1
261.07541	0.5
271.05984	0.3
273.00919	0.1
273.03876	2.9
274.04684	6.1
284.03101	0.9
285.03909	6.9
286.04544	0.3
287.01852	0.2
288.06311	0.3
289.03458	0.4
299.05481	0.3
301.03421	0.3
302.04178	19.5
303.04568	0.4
317.06506	100.0
318.06851	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96030	0.2
55.01872	0.3
56.96553	0.2
57.03417	0.2
65.03937	0.8
67.05475	0.3
68.99780	0.5
69.03412	0.4
69.07069	0.2
70.06589	0.2
71.63896	0.3
72.08136	0.3
79.05487	0.3
81.03397	0.2
81.07038	0.3
85.02894	0.3
86.66760	0.2
91.05453	0.5
92.02605	2.7
93.03397	2.4
93.07040	0.2
95.08591	0.4
97.02905	0.2
98.97563	0.2
99.48462	0.2
101.29028	0.2
105.06997	0.3
107.04891	0.2
107.69759	0.2
109.02866	0.5
109.10142	0.3
111.00807	0.4
111.04408	0.2
116.63907	0.2
116.98639	0.2
121.02841	2.0
121.10156	0.1
122.03617	0.3
123.04403	0.7
126.03136	1.1
127.03888	0.3
131.04904	0.3
131.08501	0.2
133.02957	0.2
133.10254	0.2
135.04372	0.4
135.08040	0.2
137.02347	0.5
137.05977	1.2
139.03877	1.2
145.06383	0.3
147.04414	0.4
150.03159	0.3
151.03889	1.8
151.07466	0.4
153.01811	15.1
153.62804	0.2
161.05977	0.3
163.03864	0.4
165.01869	1.3
165.05507	0.8
166.02650	0.3
167.07144	0.3
170.02074	0.2
173.05957	0.4
175.07594	0.3
177.05466	0.6
179.03415	0.2
183.02922	0.4
183.04425	0.2
187.03857	0.4
189.05499	0.3
190.06252	0.2
200.04674	0.5
201.05449	1.6
203.03345	1.1
204.04286	0.2
215.03320	0.2
217.04947	2.3
218.05687	1.7
219.02907	0.4
225.09221	0.2
228.04105	3.0
229.04942	6.5
230.05370	0.2
231.02853	0.8
239.03236	0.2
243.06548	0.3
245.04440	3.2
246.05200	3.0
255.17857	0.5
256.03616	0.3
257.04437	4.4
260.03152	0.7
261.03909	0.2
261.07574	0.5
271.06000	0.3
273.03915	3.4
274.04706	6.5
284.03296	0.8
285.03922	6.6
299.09778	0.3
299.20102	0.3
301.03311	0.4
302.04187	20.6
303.04446	0.4
317.06522	100.0
318.06842	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.1
65.03935	0.8
66.04699	0.1
67.01856	0.2
68.99767	0.5
69.03414	0.1
69.94358	0.4
79.05487	0.1
81.03403	0.1
81.07037	0.1
92.02612	3.0
93.03394	2.9
93.03855	0.1
94.04197	0.2
95.01350	0.1
95.04948	0.2
97.17174	0.1
98.20899	0.1
105.03374	0.1
107.04947	0.1
109.02862	0.3
109.06515	0.1
111.00812	0.4
115.05406	0.1
117.07002	0.1
120.02121	0.1
121.01973	0.1
121.02847	2.4
122.03638	0.3
123.04413	0.2
124.01557	0.1
124.05122	0.1
126.03122	1.2
129.06995	0.1
131.04889	0.1
133.02853	0.1
133.06525	0.1
135.04384	0.1
137.02312	0.6
137.05975	0.2
138.03117	0.1
139.03882	1.6
145.06450	0.2
147.04488	0.1
149.02338	0.2
150.03105	0.2
151.03891	1.5
151.05066	0.1
152.00978	0.2
153.01805	18.5
154.02248	0.2
155.04854	0.3
159.04323	0.1
161.06013	0.2
163.03905	0.5
165.01807	1.3
165.05476	0.1
166.02586	0.3
170.02046	0.2
172.05113	0.1
173.05971	0.5
176.04634	0.1
177.01811	0.2
177.05434	0.5
179.03323	0.3
181.02798	0.1
183.02841	0.5
183.04419	0.3
186.03145	0.1
187.03894	0.4
189.05440	0.2
190.06233	0.3
191.03317	0.1
192.04054	0.2
200.04642	0.7
201.05438	1.7
201.07141	0.1
203.01468	0.1
203.03349	1.7
204.04106	0.2
205.04967	0.1
208.03912	0.1
213.05458	0.1
215.03369	0.1
217.02826	0.2
217.04935	3.0
218.05708	1.5
218.11752	0.1
218.88396	0.1
219.02869	0.7
219.06316	0.1
220.03639	0.1
228.04138	4.0
229.04929	7.8
230.05341	0.2
231.02885	1.2
232.03624	0.2
233.04453	0.2
239.03369	0.4
241.04958	0.1
243.03064	0.1
243.06329	0.3
245.04414	4.1
246.05203	3.7
247.02264	0.1
256.03702	0.6
257.04416	5.0
258.05054	0.3
259.02118	0.2
260.03217	0.9
261.07401	0.5
267.02768	0.1
271.06079	0.4
273.03891	3.7
274.04672	7.2
275.05112	0.2
284.03180	1.0
285.03900	9.0
286.04486	0.4
287.01859	0.4
288.06189	0.5
299.05511	0.1
301.03375	0.5
302.04169	23.4
303.04584	0.6
317.06506	100.0
318.06866	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.04694	0.1
54.49345	0.1
65.03936	0.6
66.04720	0.1
66.13992	0.1
67.01864	0.1
68.99768	0.4
69.96082	0.4
81.03405	0.1
91.05414	0.1
92.02608	2.8
93.03394	2.9
94.04198	0.2
95.01302	0.1
95.04962	0.1
95.27478	0.1
105.06996	0.1
106.65054	0.1
107.04956	0.1
108.02047	0.1
109.02869	0.2
109.06512	0.1
111.00758	0.4
113.07571	0.1
115.70937	0.1
120.02045	0.1
121.02856	1.9
122.03641	0.2
123.04469	0.1
126.03130	1.0
131.04872	0.1
133.02832	0.2
135.04456	0.1
137.02328	0.6
137.05940	0.2
139.03876	1.4
145.02827	0.1
145.06430	0.3
149.02318	0.2
149.05946	0.1
150.03114	0.3
151.03896	1.4
152.01077	0.1
153.01808	15.8
154.02197	0.2
155.04872	0.3
161.05920	0.1
163.03883	0.3
163.72185	0.1
165.01819	1.1
165.05437	0.1
166.02577	0.3
170.02095	0.2
172.05170	0.1
173.05940	0.5
176.04688	0.2
177.01814	0.1
177.05521	0.4
179.03371	0.2
183.02838	0.4
183.04396	0.3
186.03180	0.1
187.03902	0.2
189.05522	0.2
190.02528	0.1
190.06175	0.2
191.03401	0.1
192.04126	0.2
194.02187	0.1
200.04643	0.6
201.01511	0.1
201.05421	1.6
203.03348	1.4
204.04129	0.2
205.04987	0.1
211.03972	0.1
213.05489	0.1
215.03458	0.1
217.04950	2.7
218.02298	0.1
218.05708	1.1
218.11696	0.1
219.02852	0.6
228.04143	3.4
229.04926	7.2
230.05319	0.2
231.02824	1.2
232.03618	0.2
233.04457	0.1
239.03354	0.2
242.57318	0.1
243.06549	0.3
245.04433	3.6
246.05205	3.5
246.07770	0.2
256.03601	0.5
257.04410	4.7
258.05209	0.2
259.02332	0.2
260.03180	0.7
261.07526	0.5
267.02847	0.1
271.06024	0.3
273.03900	3.3
274.04675	6.5
275.05005	0.1
284.03143	0.9
285.03906	7.6
286.04465	0.3
287.01782	0.3
288.06271	0.3
301.03452	0.4
302.04175	21.9
303.04486	0.3
317.06516	100.0
318.03156	0.2
318.06866	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	317.1015
Annotation	Cajanol
Peak:m/z	Relative Intensity
50.20361	0.5
52.56236	0.8
53.03931	0.8
53.62454	0.6
54.23525	0.6
55.01860	1.5
55.05482	0.9
67.05486	1.9
68.99771	1.4
69.03422	17.7
70.06550	0.8
71.01060	1.0
71.01404	1.2
72.08145	1.4
79.05508	0.9
81.03407	1.0
81.07047	1.0
85.02915	0.8
91.05470	3.9
93.07057	0.6
95.04951	1.7
97.02901	1.2
98.97523	0.6
103.17012	0.7
104.68170	0.6
105.03409	0.7
105.43629	0.6
107.04939	1.3
109.06514	1.0
111.04433	1.0
117.12077	0.6
119.04916	7.9
121.02852	0.6
121.06517	1.0
123.04415	61.1
125.05975	0.8
129.07024	0.8
131.04942	0.9
133.06477	0.9
135.04393	0.9
137.02318	1.6
137.05977	5.4
139.03891	7.0
141.05469	5.6
143.04939	1.3
147.04395	22.8
148.04794	0.6
149.05971	4.0
149.07922	0.7
151.03874	1.8
151.07529	1.4
153.01805	1.4
153.05443	6.0
154.08635	1.0
161.05954	6.1
163.03894	2.7
165.01790	2.8
165.05461	100.0
166.05952	1.0
167.03360	0.8
175.07484	0.7
177.05519	3.3
179.03433	1.7
179.07079	4.1
179.08492	0.9
183.02913	3.7
189.05467	2.8
191.03300	1.1
195.02925	1.4
195.06509	3.0
204.13748	0.6
207.06514	6.9
261.03723	0.7
271.09689	0.7
287.10098	2.2
289.03421	1.3
299.06290	0.7
299.09241	4.1
317.02792	3.6
317.06555	4.3
317.10236	27.5
318.10345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
56.96548	1.0
65.03968	0.5
69.03417	2.7
70.06586	1.3
71.63327	0.7
72.08147	3.9
79.05492	0.6
81.03416	1.0
81.07059	1.0
82.22236	0.5
83.05023	0.5
84.08141	0.9
85.02892	2.2
85.53936	0.5
86.09711	1.3
89.10807	1.4
91.05480	1.7
95.04961	0.7
97.02883	1.0
98.09689	1.5
107.04932	1.0
108.08129	0.6
108.20445	0.6
109.02869	0.6
109.10137	0.5
111.04404	0.6
119.04954	1.6
123.04420	6.0
124.07591	0.5
127.03925	0.7
135.04350	0.5
137.05989	2.6
139.03873	2.4
145.10135	0.7
147.04396	5.7
148.04741	0.6
151.03937	0.5
151.07584	0.8
153.05460	0.6
154.08617	1.5
155.03415	2.6
155.04674	0.6
155.06796	11.3
155.08994	1.8
161.05923	0.6
163.03876	0.9
165.01903	0.6
165.05469	11.7
166.05801	0.6
171.13577	0.5
179.03391	1.0
185.04211	9.5
189.05429	0.7
195.06415	0.5
197.13275	0.5
203.05176	3.4
211.07399	0.6
211.13225	0.5
213.10101	0.4
219.91296	0.5
253.09586	0.4
256.18976	0.7
281.04761	0.5
287.10269	3.4
299.10049	1.5
299.23428	0.7
317.12094	100.0
317.62216	0.5
318.12363	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1381
Annotation	O-Methylodoratol
Peak:m/z	Relative Intensity
55.01861	4.1
55.05507	1.1
55.76782	1.0
59.48596	0.9
61.06732	1.0
62.28543	0.8
65.03917	2.5
67.05490	2.1
68.99785	1.6
69.03429	13.7
69.72416	4.7
69.72824	2.5
70.06573	1.8
72.08132	1.6
78.61103	1.0
79.05465	2.8
81.07050	2.3
86.09705	1.4
91.05471	24.6
93.07052	2.2
94.04164	2.9
95.04963	6.3
97.02865	1.1
103.05460	4.7
105.07025	2.6
107.04951	3.7
109.06498	3.6
111.04428	2.2
115.05453	1.7
115.28451	1.0
117.07034	1.3
119.04924	16.3
119.08630	1.3
121.06482	11.3
122.03630	4.6
123.04419	50.7
124.04732	1.2
125.05994	2.1
128.06210	4.8
129.06987	14.8
131.04904	3.3
133.06433	2.5
135.04395	4.3
135.08063	1.4
136.05191	1.9
137.05963	100.0
138.06345	2.2
139.03871	7.5
141.05450	3.8
141.06940	1.1
143.04878	1.4
145.06471	2.9
146.03674	1.3
147.03220	1.6
147.04393	31.8
147.08003	6.2
148.04706	1.4
149.05972	26.2
150.06718	4.6
151.03906	3.3
151.07529	62.3
152.07910	1.2
153.01790	2.5
153.05455	6.4
153.06918	2.4
154.08650	1.4
155.08653	3.4
157.06499	8.9
160.05144	2.3
161.05981	9.2
163.03906	4.1
163.07530	4.8
165.05479	77.2
165.06972	10.7
166.05833	2.1
167.08546	6.6
169.06451	2.5
175.07538	36.6
176.07814	1.7
177.05460	2.9
178.07729	5.1
179.06950	2.4
179.08488	1.7
181.06450	1.6
182.07266	3.0
183.02788	1.9
183.08018	3.8
189.09055	2.2
193.06470	8.9
193.08521	3.3
193.10040	5.0
195.06548	2.4
195.08043	7.8
197.06053	4.9
197.09583	1.9
199.07639	1.3
203.08537	1.3
206.07234	1.4
207.06447	5.4
209.09660	1.0
210.06758	7.4
211.07506	7.7
212.08092	1.7
213.05521	2.0
213.09015	6.5
221.05957	10.0
221.09560	8.0
223.07530	3.6
225.08971	6.9
227.06964	1.4
227.10658	2.6
235.07553	1.4
238.06108	3.0
238.09941	1.4
239.06990	8.8
239.10703	2.8
241.08458	5.9
243.06351	1.3
249.09058	4.0
253.08595	10.2
253.12242	8.2
255.06544	2.1
255.10080	1.9
256.07224	2.4
258.08807	4.2
267.10089	1.5
270.08829	3.1
271.09583	26.8
272.10013	2.1
273.11157	17.3
281.11688	3.1
281.78931	1.1
287.10184	6.0
287.12912	1.6
299.05591	2.4
299.09412	5.0
299.12744	19.9
317.02747	4.0
317.06482	4.1
317.10263	23.4
317.13855	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.01880	0.4
55.05486	0.5
57.03424	1.2
57.86285	0.2
61.02925	1.9
61.86431	0.2
67.05509	0.5
69.03424	4.5
69.07056	0.6
70.06572	0.8
71.04987	0.6
71.63174	0.3
73.02898	0.8
79.05474	0.7
81.03407	1.5
81.07063	0.6
82.06566	1.0
83.04964	0.3
84.04498	0.3
85.02893	8.7
86.09689	0.4
87.04459	0.7
91.03955	0.6
91.05457	1.1
93.07014	1.8
95.04962	0.4
95.08589	1.3
96.04477	2.7
96.08132	2.1
97.02892	3.8
97.05251	1.8
97.06520	1.0
98.06044	0.3
99.04441	0.5
100.07575	0.8
108.08119	0.5
109.02858	1.1
109.06483	0.7
110.06034	5.1
110.09673	3.6
111.04409	0.3
111.08076	0.7
120.08051	0.8
121.05621	0.6
121.06490	8.6
121.53879	0.2
123.06786	0.4
125.08340	0.9
126.09139	8.4
127.03906	1.7
127.59570	0.2
137.02307	0.4
137.06026	0.4
137.16380	0.2
138.05505	0.8
138.09123	19.5
139.03880	1.1
139.07556	1.8
139.09402	0.4
140.10622	0.3
145.04939	1.3
147.04391	1.0
150.09108	0.3
151.03874	0.3
153.01868	0.4
155.03380	2.4
156.10182	100.0
157.10527	2.2
168.10216	1.3
173.12881	0.6
180.10162	0.5
187.07576	0.4
191.03520	0.3
198.11217	0.9
208.30191	0.3
222.11252	0.4
270.09744	0.3
277.12891	0.7
288.10492	1.0
301.11890	2.0
318.12036	0.3
318.15335	3.1
319.04501	0.9
319.12491	0.7
319.15433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0443
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
55.01882	0.2
63.20449	0.2
65.03943	0.3
65.26970	0.2
67.01852	0.3
68.99787	2.8
69.03425	0.3
69.31024	1.9
69.31446	0.7
79.01830	0.3
81.03381	0.3
83.32292	0.2
90.17020	0.2
91.05464	0.2
93.03436	0.3
97.02867	0.5
98.21600	0.3
109.02854	2.0
111.00783	3.5
111.04465	0.5
121.02864	0.3
121.06516	0.5
125.02360	0.6
127.03911	0.6
133.02843	0.5
133.06479	0.5
137.02325	2.8
139.03908	0.5
147.04343	0.3
149.02351	0.3
153.01814	16.8
153.05440	0.4
161.05927	0.6
165.01825	5.0
166.02608	0.9
169.03644	0.2
171.04391	0.6
177.05470	0.5
179.03362	2.3
183.02855	1.8
189.01599	0.2
189.05421	1.8
193.01337	0.4
193.05052	0.3
195.02827	1.3
199.03891	0.7
203.03366	1.0
204.04140	0.2
207.02925	0.4
208.03664	0.2
217.04958	6.2
219.02805	0.5
221.04445	0.7
227.03403	0.6
229.05029	0.4
232.03732	0.2
235.02313	0.2
235.05911	0.6
244.03616	0.5
245.04425	6.8
255.02875	1.1
261.04013	0.2
263.05472	0.9
267.68259	0.2
273.03925	6.8
280.61935	0.2
290.04080	1.5
301.03424	1.1
319.04453	100.0
320.04834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0442
Annotation	Myricetin
Peak:m/z	Relative Intensity
51.02372	0.1
51.64725	0.1
51.74630	0.1
55.01851	0.4
64.13016	0.1
65.03903	0.6
67.01853	0.3
68.99479	0.1
68.99778	3.3
69.03419	0.3
69.41326	0.1
71.01348	0.2
71.36426	0.2
71.78106	0.1
79.01842	0.4
81.03416	0.6
82.79015	0.1
86.26032	0.1
91.05456	0.1
93.03382	0.4
95.01293	0.2
97.02868	0.3
103.05465	0.1
105.07015	0.2
107.01311	0.2
107.04961	0.1
109.02863	2.6
111.00791	5.3
111.04445	0.6
115.05429	0.2
119.01265	0.2
121.02870	0.5
121.06507	0.5
123.04414	0.1
125.02313	0.7
126.03123	0.5
127.03896	1.0
133.02884	0.5
133.06462	0.3
135.04413	0.2
137.02327	4.4
137.03397	0.2
139.03888	0.9
143.03426	0.3
145.06494	0.1
147.04405	0.7
149.02306	0.3
149.05956	0.1
151.03915	0.2
153.01810	23.1
153.05389	0.3
154.02158	0.4
161.02318	0.3
161.05972	0.9
163.03911	0.3
165.01823	7.7
166.02612	1.1
167.03369	0.1
171.04376	0.8
173.05963	0.2
175.03883	0.4
177.05453	0.8
179.03378	3.2
183.02895	2.4
183.04419	0.3
189.01750	0.2
189.05447	2.5
191.03374	0.2
192.04121	0.2
193.01297	0.8
193.04990	0.2
194.02112	0.3
195.02898	1.4
199.03894	1.1
200.04642	0.1
203.03349	1.5
204.04056	0.2
207.02896	0.9
208.03625	0.3
209.04431	0.2
216.04128	0.3
217.04950	9.0
219.02948	0.6
221.04411	0.8
223.02191	0.1
227.03397	1.1
229.04974	0.5
231.02858	0.7
232.03703	0.6
233.04478	0.2
234.05116	0.1
235.02357	0.7
235.05885	0.6
239.01816	0.3
243.03127	0.1
244.03719	1.0
245.04434	10.4
246.04820	0.2
249.03992	0.2
255.02844	1.4
257.04337	0.2
261.03824	0.1
262.04709	0.2
263.05490	1.6
272.03101	0.3
273.03900	10.2
274.04388	0.2
283.02414	0.3
290.00995	0.2
290.04172	2.7
291.04922	0.4
301.03375	2.2
319.04446	100.0
320.04773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73068	0.1
55.01871	0.4
61.48245	0.1
63.29846	0.1
65.03924	0.4
67.01858	0.4
68.99780	3.6
69.03403	0.4
70.99151	0.2
71.01353	0.1
71.01763	0.1
79.01835	0.4
81.03407	0.5
85.02879	0.1
90.82304	0.1
91.01151	0.1
91.05439	0.1
93.03387	0.4
97.02866	0.5
103.05450	0.2
105.03391	0.2
105.07016	0.2
107.01315	0.2
107.04899	0.1
109.02866	2.3
111.00791	4.2
111.04416	0.7
115.05440	0.2
117.07021	0.1
119.04976	0.1
121.02853	0.6
121.06509	0.4
123.04388	0.2
125.02356	0.5
126.03123	0.3
126.99635	0.1
127.03911	0.7
131.04947	0.1
133.02795	0.5
133.06487	0.2
135.04391	0.1
137.02322	4.1
137.03391	0.2
139.03891	0.7
143.03360	0.4
145.06476	0.2
147.04359	0.5
149.02307	0.3
149.05992	0.2
151.03897	0.3
153.01808	21.6
153.05406	0.3
154.02119	0.2
155.04883	0.1
159.04391	0.2
161.02354	0.2
161.05971	0.8
163.03891	0.2
165.01820	5.7
166.02618	1.0
167.03326	0.1
171.03088	0.2
171.04346	0.7
173.05930	0.2
175.03871	0.4
177.05466	0.6
179.01790	0.2
179.03362	2.7
183.02879	1.9
183.04434	0.1
188.04626	0.1
189.01811	0.2
189.05460	2.3
191.03445	0.3
193.01308	0.6
193.04980	0.3
194.02167	0.2
195.02876	1.3
199.03899	0.8
203.03360	1.5
204.04132	0.1
205.05008	0.1
207.02847	0.7
208.03615	0.2
209.04395	0.1
216.04190	0.2
217.04942	7.2
218.05222	0.2
219.02904	0.4
221.04419	0.8
227.03360	0.8
229.04990	0.5
231.02824	0.6
232.03564	0.4
233.04515	0.2
235.02332	0.5
235.05966	0.7
239.01863	0.2
244.03587	0.7
245.04430	8.9
246.04834	0.2
248.03291	0.1
249.03828	0.1
255.02873	1.2
259.02258	0.1
261.03967	0.1
262.04727	0.2
263.05408	0.9
272.03125	0.3
273.03906	7.7
274.04340	0.1
283.02368	0.3
290.00897	0.1
290.04166	2.1
291.04831	0.4
300.99960	0.1
301.03430	1.6
319.04440	100.0
320.04758	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	319.0446
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
50.54614	0.2
55.01875	1.0
65.03949	0.4
67.05486	0.3
68.99783	2.6
69.07039	0.2
70.01024	1.2
79.05511	0.2
81.03416	0.9
91.05489	0.3
93.07042	0.3
95.01325	0.8
95.04967	0.6
95.08610	0.3
95.41981	0.2
95.49650	0.2
97.02915	0.3
99.00820	0.2
106.01841	0.2
107.01327	0.5
109.02866	1.3
111.00806	0.6
111.04434	0.6
113.02401	0.4
115.05470	0.6
121.02842	1.1
123.00784	1.7
123.04427	0.8
124.72957	0.2
125.02357	0.8
126.09050	0.2
127.03891	0.8
133.02901	0.3
133.06415	0.3
137.02336	20.5
137.03397	1.5
138.02715	0.3
139.00296	0.4
139.03925	0.6
141.01930	0.3
142.02634	0.4
143.03406	0.2
143.04932	0.6
143.90369	0.2
147.04387	1.0
149.02339	0.6
150.03113	0.5
151.00233	0.4
153.01816	6.4
157.10156	0.3
159.04372	0.3
161.02316	0.3
161.05965	0.9
163.03911	0.3
165.01796	1.4
169.01318	5.6
170.01762	0.2
171.02943	0.3
171.04370	2.4
175.03885	0.6
177.05408	0.4
179.03363	0.5
181.01318	1.5
183.46535	0.3
185.00815	0.5
189.05453	1.8
195.02864	0.3
199.03908	3.2
201.05386	0.2
203.03329	1.0
207.02782	0.2
217.04980	3.7
221.04472	0.4
227.03441	1.6
229.04967	0.4
231.02779	0.5
235.05937	0.4
244.03661	0.5
245.04428	5.6
249.03934	0.5
255.02940	1.7
257.04550	0.3
263.05450	0.8
271.10858	0.3
273.03918	19.0
274.04263	0.6
275.05423	0.3
283.02301	1.0
284.03091	0.3
290.04184	0.6
291.04901	0.4
301.03427	13.1
301.11560	0.4
302.03931	0.6
312.35312	0.2
319.04456	100.0
320.04745	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01864	5.1
56.96560	80.0
57.03437	17.4
61.02922	31.6
69.03419	16.4
69.96167	16.7
71.04976	3.2
73.02905	11.8
74.97574	4.0
81.03405	5.2
84.96026	8.1
85.02906	28.5
86.03245	3.9
91.05482	3.1
97.02876	14.7
98.03255	4.4
98.20784	3.8
98.97568	29.7
100.99117	10.0
101.00867	4.2
105.02053	3.7
107.01763	2.8
110.01271	4.4
110.97568	6.5
111.02087	2.9
113.00913	3.0
113.02419	3.1
116.98604	27.9
117.98979	2.8
119.00161	5.4
119.01840	33.8
119.04961	4.0
119.51969	3.2
127.03909	11.3
128.02333	23.0
128.04248	4.6
128.52434	3.3
128.98566	21.2
130.01904	2.8
131.00154	8.6
131.01901	7.3
132.00587	3.4
133.01746	2.8
133.03476	7.1
134.99652	14.6
135.03093	13.9
135.04352	4.7
137.02869	9.6
140.02278	2.9
142.96513	5.8
143.00180	3.6
143.01863	4.3
144.03612	8.7
144.98149	4.0
145.01723	3.8
145.03467	7.7
145.04922	4.0
146.99635	29.3
147.03111	6.7
147.04384	8.4
147.53217	4.4
149.01198	22.9
149.02884	3.3
150.01685	4.7
155.03407	4.6
156.03621	31.6
156.53815	22.6
157.03638	9.4
158.99644	8.7
161.01219	6.0
161.02899	12.6
162.01743	4.0
162.99146	10.7
163.03854	20.5
164.04256	3.2
165.00732	20.5
167.02280	9.1
168.01768	3.1
168.04683	4.6
170.99657	3.5
171.02301	3.5
172.97461	3.6
173.01477	2.9
173.02986	9.9
174.99181	7.1
175.02702	4.5
175.04517	4.9
177.00764	14.8
177.02159	3.8
179.02138	3.1
183.01984	4.8
188.96991	6.4
189.00717	14.0
189.02278	4.2
190.98592	14.4
191.02272	6.2
191.03918	6.3
193.00188	12.6
193.03676	4.2
201.00723	8.4
202.98668	2.7
204.02913	3.7
206.98080	5.6
207.01756	5.7
207.05107	15.6
208.99670	30.9
209.03159	5.2
211.01361	2.8
213.03363	25.9
213.53516	10.6
214.03729	5.3
217.01974	6.4
217.03723	3.7
219.01773	9.6
219.05188	3.4
220.04128	27.8
221.05052	9.8
222.03847	14.7
222.05798	5.9
222.54027	7.5
227.00616	5.4
228.05682	13.1
228.55878	19.9
229.04742	11.4
232.01164	3.4
235.02902	6.6
237.00629	4.7
237.02635	13.7
237.06375	12.8
237.56410	19.9
238.06485	6.8
238.56514	3.9
239.06200	4.6
251.04495	4.8
255.01614	5.9
255.03957	6.5
257.05090	4.8
258.97562	5.9
259.06628	5.2
269.05484	5.0
272.99203	7.4
273.02786	9.1
279.03708	4.2
290.99777	2.9
291.03796	3.7
293.05392	5.7
294.05972	3.7
301.08655	4.9
301.11624	6.5
311.06464	5.9
312.07043	3.3
319.03751	4.2
319.10281	100.0
319.13187	5.9
337.08060	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	319.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98569	1.0
55.01862	2.1
55.05503	1.7
55.93513	2.1
56.94306	1.9
56.96558	6.8
57.03433	1.3
57.07070	1.5
59.24439	0.9
61.02920	1.9
67.05486	3.0
69.03415	6.6
70.06588	2.0
70.95849	2.3
71.63192	1.4
72.08141	1.1
72.93781	12.1
73.02906	1.8
80.83264	1.0
81.03397	3.6
81.07044	1.7
83.04970	1.6
85.02897	9.3
85.06557	1.0
88.96880	1.6
90.94808	12.0
91.03947	1.0
91.05474	2.3
92.63599	1.0
95.04970	1.8
95.08571	1.6
97.02878	4.6
98.97572	7.0
99.04430	1.3
101.00894	1.0
102.94794	1.8
104.96395	1.4
105.06980	1.0
108.95836	5.4
109.02818	2.7
110.07136	2.3
110.97608	1.1
112.07558	1.4
113.96373	1.1
115.70357	1.1
116.96347	2.5
116.98588	6.3
117.03314	1.1
119.01898	4.9
119.04899	1.2
119.08530	1.0
120.95879	1.3
126.05605	1.2
127.03913	3.8
128.96335	1.8
128.98589	2.2
131.01920	2.7
131.97346	1.1
132.95825	35.7
133.03465	1.9
134.97398	5.2
134.99670	5.0
137.05952	3.9
138.05531	2.0
139.03741	2.5
139.05850	2.1
140.96324	1.3
143.01880	1.3
143.08591	1.3
144.95819	8.3
145.03479	2.4
145.04935	1.8
146.97386	3.4
146.99568	2.4
147.04280	2.0
148.98985	1.8
150.96873	26.4
155.01930	1.4
155.03386	1.6
155.97411	2.3
156.99408	1.3
157.03514	2.2
157.04704	16.7
158.97371	15.9
158.99623	3.0
159.00954	2.0
161.01283	1.1
161.03003	2.8
162.96886	10.9
163.02678	1.3
163.03908	3.6
168.95836	2.8
169.03458	1.6
171.04991	2.9
173.02995	2.7
174.96880	81.4
175.02769	2.9
175.04434	1.0
175.97226	1.9
176.98457	10.7
177.00714	4.6
183.05016	1.3
185.04240	2.5
186.96889	13.7
187.04480	2.4
188.07568	1.1
189.00662	1.2
192.97922	8.6
193.03749	2.4
199.00548	12.3
199.02266	1.9
201.06064	1.6
203.03682	1.6
203.05281	4.6
203.97263	1.3
204.97905	4.8
207.01599	1.4
211.00507	9.3
215.99548	2.8
216.97998	10.0
217.01678	2.8
217.03741	1.4
219.01804	3.7
221.05016	7.0
229.01747	2.1
234.98979	65.2
235.99344	1.6
237.02750	8.0
240.03201	1.5
241.01616	1.3
245.05066	2.8
247.06529	2.8
251.12473	3.5
252.99968	10.6
253.12344	1.3
258.00473	5.0
259.02603	2.6
259.06723	5.6
269.13422	1.8
271.07889	2.4
273.09570	21.9
281.13440	6.6
283.13309	3.0
291.09158	5.1
301.03638	16.6
302.13235	1.4
309.08771	1.3
319.04654	20.7
319.09927	100.0
319.13525	17.7
319.18564	5.0
320.04944	1.7
320.10065	1.3
321.08563	1.1
337.09274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56829	0.3
56.19643	0.3
57.03235	0.6
57.03513	0.6
63.91863	0.3
69.03497	0.4
69.07146	0.4
69.95673	0.3
70.06678	0.6
70.20989	0.3
71.61328	0.6
81.03574	0.4
81.07128	0.5
85.02480	0.6
85.03029	2.3
86.32325	0.4
91.05563	0.5
95.05077	0.4
95.08702	0.5
97.03013	0.5
109.03014	0.5
111.04591	0.4
113.09707	0.5
116.56259	0.3
128.60304	0.3
139.11319	0.6
147.04539	0.5
151.03954	0.4
155.03358	2.0
157.08652	2.7
157.12276	0.4
163.04021	1.4
171.09293	1.2
172.11441	0.4
174.09300	0.7
177.05641	0.5
181.07777	0.4
182.09721	0.6
183.09294	0.7
184.09868	2.0
185.10782	0.4
194.08478	0.7
197.07153	0.6
198.07851	0.7
199.08572	1.8
199.12285	1.6
200.10822	0.7
209.10762	0.8
210.09254	0.4
210.11647	0.5
211.08612	1.6
211.12300	0.4
212.09419	3.9
213.10226	3.4
225.10120	2.0
226.10966	9.1
227.11761	12.2
228.10217	5.3
228.12219	0.7
229.09715	0.8
231.07759	0.4
234.99007	0.6
239.11874	0.7
240.08981	0.6
241.09717	0.5
245.12949	0.9
254.10542	0.7
255.11282	6.3
256.11749	0.5
257.09299	0.6
270.09970	16.6
271.10748	3.6
272.11526	16.3
273.12329	9.5
277.12991	0.9
283.10773	7.2
284.11090	0.8
301.11798	100.0
302.12192	5.8
319.04929	1.8
319.12820	41.6
320.13116	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65004	0.7
53.03941	1.5
55.05495	1.8
56.05030	5.6
56.96548	0.8
57.05813	1.0
60.05633	2.0
62.33728	0.6
65.03938	0.8
67.05499	0.9
68.02637	5.0
68.99785	0.8
69.03412	1.8
69.04549	1.2
69.07053	1.4
69.30353	5.8
69.30761	0.9
70.06584	4.2
72.08154	0.7
79.05494	0.7
81.03418	1.9
83.04974	1.1
83.06093	2.2
84.04510	1.3
85.02895	2.2
86.09683	1.5
90.28169	0.6
91.05471	2.0
92.05013	0.7
93.07026	1.8
95.04982	0.8
95.06087	2.9
95.08597	0.7
96.02087	0.6
96.04458	0.6
97.02859	0.9
97.06515	1.9
98.97536	0.7
99.04465	0.7
105.03385	0.8
105.07006	0.7
106.06534	1.0
109.02862	0.9
111.04435	6.4
111.05556	6.9
113.07136	3.5
117.05751	0.7
118.06525	1.1
119.04940	2.3
120.04427	3.0
121.02966	0.5
123.04419	1.7
123.05481	0.9
123.06733	0.8
126.06628	3.2
126.09106	1.3
127.03958	1.4
127.07414	1.9
130.06525	0.7
132.04436	13.6
132.05385	1.2
132.08107	1.3
134.05994	3.4
137.02271	0.9
137.05994	1.2
139.03891	4.4
139.11159	1.9
140.08144	3.2
146.08403	0.8
147.04390	7.0
148.03943	2.0
149.05933	1.1
150.05482	6.4
151.03952	3.0
151.06110	6.3
152.07039	3.1
153.01801	1.5
155.03375	48.4
156.03709	1.9
157.09808	0.6
157.12231	3.1
159.09161	0.7
163.03903	1.9
165.05374	1.2
166.04956	5.5
167.03314	0.7
174.05524	0.8
176.07028	2.0
177.05450	1.7
182.04568	0.7
187.08606	5.3
189.06558	1.0
191.03352	0.6
194.04459	1.3
199.14948	0.8
202.09764	3.7
203.03444	0.8
203.08134	3.8
211.08546	0.8
216.11272	1.2
218.97415	0.8
230.09264	3.1
231.07620	28.5
232.07932	1.0
232.10744	1.7
233.09251	1.1
233.13901	7.6
234.12306	1.0
236.98436	1.3
242.09164	2.1
245.04411	1.7
257.10403	4.2
259.11868	25.0
260.10217	1.6
260.12558	0.9
260.98453	0.8
271.10867	0.8
273.03864	1.9
273.12573	0.6
274.63254	0.7
277.12924	83.8
278.13190	3.0
283.10843	3.2
284.11316	2.9
289.11896	0.8
301.03256	1.0
301.11453	5.8
302.12430	48.3
303.12607	1.6
319.04602	11.4
319.15222	100.0
320.04871	0.9
320.15500	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	320.065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90643	1.4
56.96291	1.5
56.96557	27.2
58.94503	1.4
60.89182	1.4
60.97294	1.4
66.25073	1.5
67.97147	1.4
69.03435	1.5
69.97194	9.0
80.33057	1.5
84.96027	7.2
98.97569	61.6
110.97574	6.9
116.98609	46.8
119.01901	2.3
120.86212	1.5
124.99137	2.4
128.98590	12.5
131.00168	2.7
134.99651	33.1
140.00192	2.3
140.98549	2.4
143.00150	16.5
146.99643	17.9
149.01237	4.3
153.00682	6.3
158.01219	3.1
158.99655	19.5
161.01219	31.8
161.02686	3.2
165.00789	3.0
170.99617	3.3
173.01279	3.8
174.99080	2.2
177.00705	42.6
179.00815	2.0
179.02243	2.7
189.00728	7.7
189.02327	2.3
195.01704	6.3
200.02225	3.0
206.00314	3.9
207.01770	4.1
216.98714	3.0
219.01781	22.9
220.02127	4.4
221.01828	3.5
221.05135	3.5
234.99768	4.4
237.02805	68.5
238.03189	2.6
248.01297	3.3
249.02867	4.3
255.03850	100.0
256.04199	2.0
257.01892	2.3
259.99988	2.4
260.04437	3.9
261.02789	2.3
272.94424	1.8
273.04901	4.4
277.00830	1.9
278.01080	2.5
278.05466	5.1
279.03827	71.8
284.00220	2.1
295.98093	2.1
296.97571	5.6
297.04895	84.1
300.04163	2.5
312.03894	1.7
314.94162	2.8
315.01984	1.6
315.60898	1.8
320.02780	2.1
320.06528	12.0
321.06671	1.8
333.87952	1.8
337.98700	1.8
338.02939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.5
55.93515	4.0
56.94299	3.2
56.96560	1.8
57.07060	0.8
67.05495	3.3
70.06570	0.9
70.95851	4.4
71.61958	1.4
71.92990	1.1
72.93777	16.5
79.05482	1.9
81.03414	6.5
81.07028	1.3
88.07618	1.8
88.96893	3.0
90.94816	10.2
91.05456	3.4
93.07001	1.5
95.04936	2.1
105.07009	2.1
107.08599	0.9
108.95860	4.7
113.96386	1.9
116.96361	1.6
119.55208	0.8
126.98418	3.0
128.96339	3.3
130.97888	1.6
132.10130	1.2
134.97382	1.2
134.98938	1.2
135.07083	0.8
136.95271	1.0
138.98407	4.4
140.96288	1.6
141.06989	0.9
142.97929	2.4
144.95775	1.1
144.99437	2.9
146.97382	2.8
146.98892	0.9
148.98982	2.5
149.00389	0.9
150.98404	2.2
151.02037	2.6
152.99942	1.4
154.97882	5.6
156.99492	2.3
158.97368	1.5
160.98866	0.9
162.96892	1.7
164.99936	6.7
166.97900	6.6
168.99501	2.6
170.97379	2.0
171.01021	1.2
172.98920	8.5
176.98532	1.2
178.97885	3.4
179.01561	1.1
180.99474	3.0
182.97426	2.1
184.98936	6.0
186.01248	4.6
187.00568	2.5
192.99524	3.1
195.01047	2.0
196.98984	4.9
199.00465	1.7
199.02083	1.6
200.02751	2.0
200.98404	1.4
201.02028	1.4
201.03619	9.2
203.01591	0.9
207.00974	1.1
209.02513	1.0
211.00447	2.3
211.02219	1.9
213.01695	1.1
213.03603	16.6
214.99976	1.1
215.05278	1.6
219.00999	1.6
223.02110	1.3
227.72514	0.9
229.03262	1.5
231.04810	1.1
233.06245	2.0
239.03799	1.0
241.05313	2.3
259.04224	1.8
261.05746	2.4
277.05267	1.3
279.06708	17.0
279.09497	1.3
293.04657	0.9
295.06372	1.1
297.07806	100.0
298.08112	2.6
315.08926	1.6
319.30328	6.8
320.04910	4.6
320.09412	20.9
320.30643	3.8
321.09750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54164	1.6
55.01859	2.4
56.05013	1.8
56.96555	13.5
57.03432	3.8
59.06490	1.5
61.02914	9.5
67.05502	2.1
69.03416	11.3
69.07063	34.4
70.06573	5.9
70.12208	4.2
70.12619	5.5
72.08163	3.2
73.02914	5.1
79.05495	1.7
81.03412	10.8
85.02898	48.9
86.09711	3.8
87.04505	2.3
89.03910	9.8
91.03950	2.9
91.05473	1.9
95.04961	3.6
97.02885	21.9
98.97577	13.1
99.04449	4.1
103.03952	1.7
107.04931	2.5
109.02874	89.9
110.03210	2.1
110.97562	2.6
111.04465	1.8
112.07603	4.8
115.09588	1.6
116.07124	2.1
116.98608	15.3
117.03376	7.2
119.01931	3.3
123.04399	23.2
127.03910	11.4
128.98599	4.9
134.99649	10.9
135.04424	13.9
137.05894	2.3
139.03905	3.5
140.07069	15.6
141.05453	100.0
145.02844	7.4
145.04962	12.6
146.99608	9.6
147.04391	8.9
150.96877	2.3
153.01810	2.2
158.08112	28.9
158.99701	2.1
159.02652	4.3
161.01207	3.9
163.02522	2.9
163.03889	57.7
164.04254	7.0
167.06996	2.4
175.08607	3.2
177.00681	4.2
177.05511	1.8
180.08676	3.4
182.08138	3.2
189.05525	2.3
197.01288	3.5
201.00632	1.9
203.03548	2.6
207.06465	2.1
219.01624	10.3
220.96791	1.7
221.02954	17.3
221.04926	3.2
221.09163	2.4
234.99019	2.1
237.02811	20.9
239.04103	3.6
247.06378	2.1
255.03854	2.3
263.04025	4.3
267.08746	3.3
279.03564	4.7
279.07498	7.2
287.05981	2.1
320.13599	3.3
321.05164	3.2
321.08636	9.0
338.08530	2.4
341.05316	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	321.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.1
56.05024	1.7
56.96562	36.2
57.03426	2.7
61.02914	2.4
66.85418	1.6
69.03418	6.1
70.06588	4.9
70.08249	1.6
70.83707	4.8
72.08154	3.5
72.93765	1.6
73.02903	2.9
74.97606	3.2
77.00902	3.0
81.03413	4.6
81.07045	3.1
81.44253	1.5
84.08119	2.6
84.96024	4.3
85.02896	14.2
85.07661	4.1
86.09676	1.9
87.04474	1.7
88.81315	1.5
89.03911	3.6
90.55457	1.5
91.05479	4.5
97.02901	8.8
98.97571	18.0
99.04400	2.0
101.00880	5.9
104.05357	1.6
107.08674	1.5
109.02876	2.3
110.97570	4.0
111.04472	1.7
112.50998	1.5
114.09169	2.3
115.02470	3.5
115.97844	1.7
116.98605	18.0
117.03356	3.0
119.00157	1.8
119.01908	45.5
119.04961	3.8
120.02011	2.8
121.01683	2.9
123.04409	4.9
125.02363	1.6
127.03913	4.0
128.07085	3.6
128.98595	4.5
131.00240	1.8
131.01889	16.3
133.01718	2.1
133.03494	10.0
134.03580	1.6
134.99631	16.0
135.03304	3.1
135.04410	6.4
135.05211	2.2
137.02953	15.7
139.03880	5.1
141.01805	1.6
142.03429	2.7
143.00142	1.7
143.01884	3.6
145.03630	8.0
145.10106	2.4
146.99661	10.7
147.01350	1.8
147.04337	16.5
149.01241	3.3
149.02951	5.5
150.99095	4.0
151.04541	2.8
153.00716	3.0
155.01833	9.2
157.03459	6.1
158.01300	2.0
158.99654	4.5
159.02670	3.2
159.05016	7.4
159.11319	1.7
161.01277	8.6
161.02954	13.8
162.99213	2.5
163.03851	30.8
164.04308	2.7
165.00732	3.5
168.99969	5.3
169.03453	2.3
171.05005	8.4
173.02943	26.5
173.06503	1.8
174.00758	2.5
174.99159	3.3
175.02827	3.1
175.04541	4.8
177.00749	10.0
177.02257	2.8
177.04323	6.6
177.06024	4.9
180.11449	1.7
181.03632	2.1
183.01593	1.8
185.00847	1.9
185.03065	2.7
186.99361	2.2
187.00897	8.8
189.00786	3.3
189.02443	6.2
189.06042	11.4
190.98688	2.5
191.02298	2.3
191.04001	4.8
192.01860	1.9
193.00212	11.4
195.01808	2.7
195.03418	1.8
195.05293	3.5
197.01125	1.9
197.02898	1.9
199.04630	2.0
201.00740	3.0
201.02411	24.9
201.04198	3.1
201.06090	2.6
203.00227	1.7
203.02061	5.6
203.04010	7.0
205.00191	2.9
205.02031	4.7
207.01680	2.3
213.02521	4.8
213.04263	1.9
213.06096	3.9
215.00362	13.4
219.01709	8.3
219.03503	75.9
220.03897	1.6
221.02979	100.0
221.05057	12.3
222.03166	6.9
223.01196	3.9
223.04887	5.8
224.04030	2.0
229.02003	5.6
229.04979	1.6
231.03452	8.3
233.05090	10.6
237.02686	19.8
239.02087	4.1
239.04034	27.8
239.06190	7.0
242.05098	4.8
244.04620	3.0
245.02942	6.2
245.05139	3.3
247.02977	24.9
248.03096	1.8
249.04500	6.2
249.06557	4.0
255.03954	2.6
257.03375	6.0
259.04825	3.5
261.02264	9.7
261.04816	3.3
261.08292	8.6
263.03992	28.7
264.04257	2.0
265.04037	7.1
270.04446	2.5
277.05743	4.0
279.03513	22.1
279.09268	19.5
286.05637	2.3
289.04083	4.8
295.06949	4.5
297.02789	3.3
298.00900	2.4
298.18701	3.1
302.05521	1.8
321.04251	9.5
321.06744	19.1
321.10364	15.4
322.04669	1.8
339.08310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78470	1.1
56.96549	9.3
58.99825	1.1
59.36168	1.1
60.71417	1.1
69.03399	2.5
71.23251	3.5
82.99839	1.8
85.02845	4.6
91.02406	2.8
94.99830	1.6
97.02859	3.0
98.97563	11.0
101.00861	17.8
103.02419	2.5
109.03460	1.7
110.97550	1.6
111.05515	3.4
113.00809	2.1
115.02410	13.5
116.98605	7.1
117.03939	1.9
117.09869	1.1
119.01910	100.0
120.01998	3.4
121.03441	1.7
123.05471	3.9
127.03825	1.2
128.98546	2.7
129.03937	2.8
131.00198	1.4
131.01891	20.6
133.03455	47.9
134.99599	2.9
135.05000	4.4
137.02939	32.5
141.06575	8.5
142.03506	1.7
143.01880	11.4
144.99777	2.7
145.03481	11.1
146.99611	3.4
147.01308	1.4
147.03178	1.5
147.05020	6.2
149.01170	2.2
149.02853	5.0
151.04475	10.8
155.01869	8.7
156.02650	1.5
156.05032	1.3
157.03467	7.1
158.99593	4.7
159.00940	1.3
159.04999	10.8
159.07587	3.5
161.01268	3.2
161.02939	24.3
163.02704	1.4
163.04419	3.5
165.00639	1.8
168.07637	1.3
168.99788	9.6
170.99747	1.4
171.01305	4.4
171.04994	8.7
173.02946	23.2
175.04465	7.2
177.00653	5.9
177.02338	2.4
177.04375	1.9
177.05991	5.1
179.02200	1.3
179.03934	2.3
183.04951	2.1
185.02921	3.1
185.06586	1.5
187.00859	31.9
188.00851	1.5
189.00868	1.5
189.02414	15.9
189.04146	1.9
189.06006	7.9
191.02391	1.7
191.03987	22.0
195.07082	2.8
196.99257	6.1
197.02917	3.5
201.00594	4.4
201.02359	8.3
201.05975	3.3
203.03922	5.4
205.00421	1.4
205.01949	11.5
205.05397	1.4
207.03487	1.6
213.06015	2.2
215.00348	35.9
217.01929	2.1
217.05423	2.6
219.01622	4.6
219.03442	10.7
219.07112	10.8
221.03081	2.4
221.05035	18.2
223.01157	1.6
225.02499	1.7
229.01836	12.1
230.01993	1.3
231.03333	4.1
231.07182	7.5
233.01286	4.9
233.05042	28.0
233.08543	2.2
235.02776	1.5
237.02792	3.2
241.02203	1.3
243.01488	1.3
245.05125	8.4
245.07300	1.9
247.02974	73.1
248.03052	4.9
249.04582	7.4
251.06195	2.7
255.07091	4.0
259.06570	2.0
261.02332	1.8
261.08273	17.2
265.04086	13.2
270.04376	3.4
273.07971	4.0
279.03110	1.9
279.05676	3.8
279.09192	19.7
289.04007	11.4
303.00354	1.3
307.04877	1.5
309.40164	1.3
321.06406	9.2
321.09900	85.7
322.10287	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99652	1.0
56.96559	9.0
57.03407	1.8
60.54086	1.1
61.02908	2.6
65.40009	1.2
69.03389	3.5
69.59144	1.1
69.76080	2.8
69.76488	4.7
71.04958	1.4
73.02890	1.0
77.00889	2.3
80.73998	1.1
81.03363	1.7
82.99828	1.6
84.96006	1.3
85.02889	6.7
91.02401	3.5
97.02849	3.7
98.20656	1.1
98.97568	13.1
99.04385	1.2
101.00864	15.7
103.02425	2.4
109.02820	1.2
109.03474	1.6
110.97470	1.5
113.00809	4.5
115.02399	14.4
115.67239	1.2
116.98618	10.4
117.03951	4.6
119.01905	100.0
120.01983	2.1
127.02387	1.6
127.03837	2.4
128.98537	4.0
129.02220	1.4
129.03912	3.6
131.00182	2.6
131.01886	29.5
133.03445	38.5
134.99596	3.0
135.05043	7.6
135.70894	1.3
137.02936	25.3
143.00070	1.6
143.01881	10.6
143.08897	1.1
144.99765	2.9
145.03435	11.1
145.04593	1.6
145.04926	1.4
146.99596	1.8
147.01373	1.4
147.03210	2.9
147.04967	4.8
149.01112	1.3
149.02959	5.3
151.04504	9.4
153.00545	1.6
155.01872	15.7
156.02591	4.4
156.04944	1.4
157.03441	7.1
158.99635	2.3
159.05023	18.2
161.02937	23.3
163.00845	1.4
163.04376	4.7
168.99797	7.9
171.01331	3.4
171.05008	21.5
173.02942	26.5
173.06526	4.0
174.02951	1.2
175.04488	6.0
177.00676	3.4
177.02390	3.4
177.04324	3.4
177.05995	7.7
179.03911	2.3
183.01398	1.4
183.04993	3.2
185.02887	3.3
185.06480	1.5
186.99306	1.7
187.00861	23.4
187.04417	1.6
189.00699	2.3
189.02397	13.9
189.03944	1.7
189.06036	14.7
191.02316	1.9
191.03958	14.6
191.07494	1.6
193.00114	1.2
195.05215	2.8
196.99272	4.7
197.02878	1.7
199.04370	1.4
201.02344	3.6
201.04295	2.4
201.06032	6.6
203.03993	5.8
203.07573	3.5
205.00244	1.6
205.01900	10.1
205.05449	1.8
210.02330	1.3
213.05975	5.1
215.00337	31.2
216.00447	1.8
217.01869	1.4
219.01630	3.9
219.03453	3.9
219.05309	1.2
219.07085	7.7
221.02963	3.8
221.05009	32.4
222.05235	1.2
227.03943	1.6
229.01903	10.7
231.03380	2.5
231.07039	4.7
233.01291	3.3
233.05038	18.8
237.02721	7.3
238.01855	1.4
243.07095	2.2
245.04982	5.9
247.02980	62.1
248.03224	2.5
249.04440	3.8
251.06195	1.2
255.07002	1.5
261.08212	28.8
265.04013	10.7
270.04480	3.6
273.08203	2.3
279.09225	47.4
289.04016	9.9
302.10681	1.8
307.04858	1.7
321.06552	10.5
321.10266	67.3
322.10376	2.6
339.09406	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.8
67.05492	1.0
69.07047	0.5
69.49712	1.1
69.50134	2.5
74.18905	0.4
79.05456	0.7
81.07031	1.4
83.04971	1.0
85.06519	0.4
91.05479	0.8
93.07036	0.7
95.04951	0.5
95.08590	1.4
99.69746	0.4
105.07037	1.1
107.08566	1.2
109.06487	0.5
109.10139	1.1
119.08549	1.1
123.08035	1.1
133.10188	0.6
135.11662	0.5
145.10106	0.6
147.11693	0.5
151.07513	1.6
159.11729	0.6
207.13750	0.8
237.02870	0.5
261.33389	0.4
314.19800	0.4
321.16690	100.0
322.16934	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03949	13.9
55.01860	8.9
55.05508	25.9
57.03431	4.1
57.07054	2.8
57.12705	2.4
58.39141	2.1
60.88017	2.3
65.06468	2.0
66.64674	2.5
67.05158	4.0
67.05500	53.1
69.07064	38.4
71.04998	3.8
71.63662	2.2
79.05487	46.5
81.03413	37.2
81.07050	73.4
82.07376	2.6
83.04964	6.5
83.08602	14.0
85.06530	4.3
91.05470	48.8
93.07030	41.9
95.04977	14.4
95.08601	47.0
97.06525	14.0
97.10175	4.7
99.08099	2.3
105.07025	72.8
106.07337	4.0
106.67918	2.2
107.04954	9.8
107.08586	32.9
109.06505	5.9
109.10169	18.5
111.08068	3.9
117.07011	11.2
119.08572	44.7
121.06529	4.7
121.10129	16.4
122.10489	2.1
123.08040	5.3
123.11704	4.7
125.09644	3.1
129.06973	3.3
131.08571	27.8
133.10121	55.7
135.07993	4.9
135.11702	11.3
143.08530	2.8
145.10149	18.2
147.11665	21.7
149.09590	8.6
149.13142	2.8
151.11169	5.8
153.12660	3.8
157.10141	2.6
159.11694	8.7
161.13219	9.3
161.95596	3.0
173.13264	3.5
175.14847	3.5
187.14819	2.6
197.13303	2.4
201.16425	4.7
205.15938	2.9
207.17458	26.4
217.14264	4.7
247.20517	14.3
269.17166	2.8
275.23682	5.4
285.22073	7.9
299.06122	3.1
303.23175	100.0
304.23389	5.7
321.24060	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	322.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63309	0.6
55.01847	0.6
57.03429	1.0
61.02916	1.6
69.03419	1.4
70.06573	2.5
71.04977	0.6
71.60813	0.7
72.08160	0.9
73.02902	1.6
73.05085	0.6
74.06072	4.6
79.05461	1.2
83.04996	0.8
84.04506	0.9
85.02873	2.2
86.09672	1.4
91.05444	1.6
95.04942	1.1
97.02895	1.4
98.97527	0.7
107.04979	1.4
109.02850	0.8
110.71899	0.6
111.04418	0.9
116.98598	1.0
119.04935	1.7
120.08084	0.9
122.55936	0.7
123.04404	2.3
125.05956	1.8
127.03881	1.2
129.62355	0.7
133.06406	0.9
133.67450	0.7
139.03889	6.8
140.04198	0.6
142.06508	2.0
143.07013	1.1
144.08051	1.2
146.09636	0.7
147.04407	5.4
147.09148	2.0
149.06044	1.0
155.03381	4.1
158.99600	0.9
160.07568	1.3
162.05505	0.9
163.03830	5.0
172.07425	1.0
172.08694	6.5
173.07086	1.5
175.07436	1.0
175.08679	6.4
176.07053	1.2
176.09492	1.0
177.00591	0.7
177.05452	1.5
179.03375	0.7
181.05006	0.8
186.05481	1.7
189.08810	3.2
189.10275	1.7
190.09749	31.4
191.08145	4.0
202.09813	4.1
203.08142	3.9
204.06601	0.8
205.04906	0.8
207.11203	0.8
214.09660	3.0
215.08089	1.2
216.11375	1.2
217.09705	4.4
227.10532	3.6
228.11287	12.3
229.09685	1.2
232.10794	4.2
235.10832	1.4
240.11404	3.4
244.10855	3.6
245.09233	3.7
245.11440	1.1
247.10553	0.9
256.10770	24.4
257.11108	0.8
258.12448	1.5
263.10239	11.7
268.10779	2.3
274.11844	19.1
286.11832	7.6
291.09622	3.9
292.12943	1.8
299.06140	0.7
304.12900	16.8
305.11169	0.9
322.13931	100.0
323.12109	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	322.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05505	0.6
56.05028	0.6
56.96532	0.4
57.03420	0.5
61.02908	0.9
65.03933	0.4
67.05486	0.6
69.03419	2.2
69.07059	0.6
69.73801	2.5
70.06581	1.4
71.04990	0.8
72.08138	0.5
73.02899	0.6
74.06071	2.4
79.05483	4.1
81.03390	0.6
81.07030	2.2
81.42747	0.4
83.04974	3.2
83.08593	1.9
84.04477	0.6
85.02899	5.7
85.06516	0.5
86.09679	0.6
88.03948	0.5
91.05460	4.7
93.07009	0.7
94.06532	0.6
95.04952	0.5
96.87768	0.3
97.02884	1.4
105.07005	1.3
107.08575	46.1
108.08908	1.2
109.06512	0.5
111.04394	0.5
121.02933	0.4
123.04372	0.6
125.09609	100.0
126.09933	2.8
127.03889	1.5
131.04951	0.4
135.04445	0.5
135.11729	0.4
136.07538	0.7
139.03885	2.0
140.04178	1.0
143.10706	0.5
145.04950	0.9
146.06021	1.3
147.04375	0.9
149.02303	1.0
150.02733	1.7
151.03799	0.4
153.01816	2.3
154.02098	2.1
160.07558	5.4
160.13295	0.7
163.03893	1.3
164.07143	0.5
167.06973	0.7
174.05434	0.6
181.06146	0.5
201.05586	0.4
205.04987	0.4
230.05313	0.7
233.04649	0.6
248.06392	1.6
261.59802	0.5
263.10266	0.6
276.05771	2.6
291.10196	0.6
304.05392	0.9
304.12213	0.4
305.02942	2.1
305.11380	0.6
322.06232	1.0
322.13922	1.6
322.22101	1.3
323.03806	0.5
323.12781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05507	5.4
57.03432	0.6
57.07070	0.8
60.04508	0.6
62.06081	100.0
63.18922	0.4
67.05499	15.6
69.07058	5.3
69.49810	0.4
71.04981	0.7
71.08168	1.1
79.05482	9.0
81.06570	1.0
81.07047	15.9
81.07512	1.0
83.08613	2.2
91.05457	4.6
93.07028	10.5
95.04970	1.5
95.08590	11.5
95.09144	0.8
96.08955	0.5
97.06540	0.9
97.10152	2.6
105.07006	3.3
107.08583	6.4
109.10129	5.3
112.78367	0.5
117.07050	1.1
119.08564	3.2
121.10130	4.7
123.11688	2.7
125.09641	2.0
126.87731	0.5
131.08582	2.1
133.10143	1.6
135.11653	3.4
137.09676	0.7
137.13240	1.2
141.71448	0.5
145.10181	2.0
147.11705	1.2
149.13301	2.2
159.11774	1.5
161.13326	0.9
163.14844	1.0
173.13287	1.0
177.16425	1.4
200.16437	0.7
201.16476	0.5
203.12758	0.8
223.13358	1.1
228.19579	0.6
240.19620	0.8
242.21202	0.6
243.21107	3.0
248.29370	0.5
248.98001	0.6
261.22131	3.8
273.18491	0.8
290.26907	0.6
291.19501	12.5
304.26465	2.3
305.21198	2.6
305.24924	2.0
305.29892	0.6
322.27390	13.5
322.30899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33089	2.6
53.03949	2.7
56.05020	3.8
56.34269	2.6
56.96284	5.5
56.96559	100.0
57.02505	2.9
57.03421	6.0
57.07049	3.9
61.02919	23.5
69.03424	20.4
69.45514	3.8
69.45914	22.4
70.98104	10.5
71.04995	3.2
72.96006	3.6
73.02896	10.4
74.06065	29.2
74.97613	18.2
75.05594	5.4
75.06408	2.6
80.84713	2.3
81.03404	5.2
81.07056	3.3
83.04975	2.8
84.96024	5.0
85.02895	34.4
87.04465	3.4
88.99146	8.0
91.03936	3.8
97.02889	17.1
98.96923	3.8
98.97569	78.1
99.04438	3.8
100.99143	3.6
107.00186	5.0
107.51774	2.6
109.02874	3.0
110.97583	2.7
113.02371	5.2
116.98606	79.7
116.99431	5.6
117.98895	2.7
119.01884	8.7
120.02018	2.9
121.01628	4.8
127.03905	13.4
128.98595	7.2
131.00146	7.5
131.01878	4.7
132.98009	6.0
133.01657	5.4
133.03395	5.1
134.99638	87.1
135.03207	3.6
137.02863	2.8
140.00226	4.0
142.96475	8.9
143.01868	10.1
145.03529	2.6
145.04942	6.3
146.99652	18.7
147.04366	4.3
149.01224	10.5
150.99129	43.1
153.00662	18.5
155.01894	6.2
156.98093	3.4
157.03461	3.1
158.01250	3.9
158.99637	15.2
160.97600	13.6
161.01204	7.8
161.02925	24.8
161.04652	7.2
162.99130	6.3
165.00702	17.3
169.00221	24.3
170.95972	4.9
170.99573	4.7
173.02953	17.3
174.99106	15.6
175.02774	3.3
175.04436	3.9
177.00706	24.5
177.08549	3.1
178.98643	4.3
179.02231	4.1
183.01756	3.8
184.97545	10.3
185.02957	6.2
186.99184	2.9
188.97049	38.5
189.00661	16.9
190.98648	6.2
191.02266	7.2
191.03911	6.4
193.00194	60.7
193.01868	6.0
195.01765	4.9
197.03065	3.4
201.00620	4.7
201.06039	5.1
202.98634	24.5
203.04073	13.7
205.00169	6.1
206.98119	33.5
207.01630	14.8
211.01253	14.8
211.98682	3.6
212.96968	3.7
216.01855	4.7
217.00117	9.9
219.01717	13.7
220.06778	10.1
220.99651	46.2
221.03059	4.9
221.05170	4.1
224.99127	4.4
227.04309	3.1
228.02020	14.0
228.05701	5.5
230.03482	3.0
230.98074	33.4
232.99709	4.0
233.06781	6.8
235.01212	10.4
237.02756	21.0
239.00642	20.2
239.52974	3.3
242.07185	8.9
244.99669	19.5
245.05089	7.6
248.99223	23.4
249.02693	8.7
253.99702	4.3
255.03961	3.1
257.01825	3.6
263.00723	70.1
263.06381	6.4
267.00012	3.5
281.01770	48.2
281.05405	19.3
286.02151	4.9
299.02872	22.0
304.03345	6.4
305.01691	7.9
321.08444	3.1
323.02737	6.5
323.07043	39.2
323.10727	4.6
323.12537	3.5
341.07382	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	323.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77671	1.1
56.96559	12.8
69.03420	1.7
71.26003	2.1
71.26344	1.6
73.02895	1.3
97.02874	4.3
98.25788	1.3
98.97574	57.3
116.98614	65.3
117.98984	1.6
119.01885	5.4
128.98570	1.4
134.99646	43.6
137.02934	3.5
140.00223	2.2
143.01935	1.3
146.07953	1.3
146.99666	1.5
153.00690	9.0
158.01294	1.5
162.59134	1.1
174.98570	2.3
177.00949	5.9
178.01015	9.8
179.00694	3.4
180.94707	2.0
183.99834	1.2
198.95866	9.5
198.98508	4.4
202.01048	3.6
203.00711	1.8
219.00021	2.4
219.01974	28.2
219.03918	2.1
220.02115	100.0
221.01772	39.0
222.02339	1.3
222.98433	2.8
225.40952	1.2
240.96878	1.5
240.99278	6.5
242.03598	1.7
243.03772	6.3
244.03337	2.8
256.96664	3.0
257.96686	6.1
258.97485	2.9
258.99820	32.9
259.99884	2.1
261.03043	4.9
272.94586	1.7
274.94235	1.9
274.97607	2.7
275.97864	2.7
277.00784	78.8
278.01004	3.2
280.42789	1.3
290.95386	1.8
295.01730	1.4
298.94202	1.4
298.97708	2.1
299.97763	30.0
300.03348	1.3
300.97424	13.9
303.01065	1.7
306.94781	1.3
309.96146	1.6
310.59766	1.6
318.99838	3.3
322.99271	4.9
323.99170	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
51.02378	0.8
53.03930	1.6
55.01858	3.6
56.96552	0.8
58.71834	0.7
59.80885	0.6
60.13087	0.7
65.03919	1.7
67.01842	2.9
67.05492	3.3
68.99780	8.6
69.03421	2.3
69.07056	0.8
70.06580	2.9
71.04980	1.1
71.61394	1.2
72.08126	0.9
74.06056	0.6
75.05586	3.3
77.03917	1.5
78.04695	2.8
79.05488	2.0
81.03394	2.1
81.07025	1.0
83.01344	4.5
83.04966	2.4
84.08123	1.0
85.02895	2.9
86.09685	3.1
91.05475	4.2
93.03399	1.3
93.69593	0.8
95.04961	8.0
97.02870	3.1
98.06026	0.7
98.97576	1.0
99.00806	1.1
103.05441	1.5
105.03351	2.3
105.07014	1.7
106.04169	1.0
107.04925	2.6
107.08578	1.3
108.08058	0.8
109.02857	5.0
111.00784	1.8
111.04441	5.4
112.01556	1.0
113.02335	2.8
115.03912	1.3
115.05440	2.2
116.07073	2.3
116.98623	0.8
117.03407	0.9
119.04923	7.1
121.02908	1.1
123.04414	92.4
124.05215	23.7
125.02343	4.0
126.03123	1.2
127.03899	4.3
129.01840	0.7
131.04895	2.1
133.02849	1.7
133.06459	1.3
135.04404	5.6
136.07545	0.9
137.02319	5.8
137.05949	1.5
139.03886	38.8
140.04260	1.0
141.01796	2.8
143.03334	0.9
143.04900	2.2
145.02815	0.8
145.06461	0.8
146.05977	2.4
147.04387	20.5
148.04857	0.9
149.02335	1.6
149.05945	1.1
150.03119	1.7
151.03860	6.8
152.04671	22.3
153.01826	8.3
154.02577	4.3
155.03374	100.0
156.03685	1.4
161.05930	4.1
163.03894	15.6
165.01820	0.8
165.05470	8.3
167.03418	3.6
169.04984	1.3
171.02904	3.7
171.04213	1.0
173.07158	1.0
175.03883	1.7
176.10179	1.2
177.05385	4.5
179.03308	4.5
179.04610	0.6
181.04913	1.2
182.02095	1.7
183.02820	3.8
185.05952	1.1
187.07414	0.8
189.05449	1.8
191.08328	1.0
193.04962	0.9
197.04456	2.0
201.05492	1.0
203.03304	1.0
203.07103	0.7
205.04979	1.1
207.07689	4.4
213.05545	1.4
217.04883	1.5
217.09682	0.8
231.06483	1.0
241.04939	1.9
245.04372	1.9
259.05914	1.5
277.07285	1.5
287.05402	1.7
287.13577	0.8
288.08981	0.8
288.12238	0.8
290.07932	3.6
291.10089	0.9
305.06384	3.4
305.14761	1.1
323.07346	2.2
323.12112	5.6
323.16809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0757
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.03949	1.2
55.01863	3.8
57.03386	0.7
57.55593	0.6
65.03928	2.2
67.01858	2.6
67.05499	3.2
68.99781	6.9
69.03408	1.6
70.06582	0.8
71.04981	0.7
71.24869	1.7
75.05582	1.9
77.03918	1.5
78.04694	2.1
79.05480	1.9
81.03417	2.7
83.01334	3.3
83.04977	2.0
83.89503	0.6
85.02881	1.7
86.09706	1.2
87.00753	0.6
91.05468	5.8
93.07020	0.6
95.04973	9.3
95.08545	0.6
97.02883	2.0
99.00800	1.5
99.04435	0.8
103.05418	1.0
105.03378	2.2
105.07031	1.3
106.04160	1.1
107.04922	2.1
109.02866	4.5
111.00813	1.5
111.04433	4.8
112.01547	1.1
113.02374	3.3
115.03921	1.1
115.05419	1.7
117.03383	0.8
119.04935	13.0
121.02874	0.8
122.06011	1.6
123.04417	94.5
124.05225	22.3
124.07571	1.0
125.02368	3.3
126.03138	1.3
127.03905	4.2
131.04916	2.0
133.02809	1.4
133.06424	1.6
135.04396	4.7
136.07568	3.2
137.02341	6.9
137.05951	1.9
138.09114	0.7
139.03893	36.3
140.04221	1.2
141.01804	4.0
141.05484	0.6
143.04910	0.9
145.02826	2.1
145.06432	1.2
147.04396	39.9
148.04749	0.9
149.02322	1.7
149.05927	2.1
150.03111	1.2
150.05466	0.6
151.03877	7.2
152.04672	22.7
153.01805	8.0
153.05321	0.7
154.02599	4.6
155.03378	100.0
156.03731	1.5
156.06316	0.6
159.04474	0.7
161.05969	4.6
163.03885	8.0
164.07018	3.7
165.05470	13.7
167.03404	3.2
168.06601	0.7
169.04979	1.7
169.06342	0.9
171.02882	3.4
171.04291	1.1
171.57567	0.7
173.05959	1.0
175.03883	1.4
177.05458	6.7
179.03392	5.8
181.04941	2.4
182.02100	2.4
183.02852	3.4
187.03831	0.8
189.05522	2.8
191.07144	0.6
197.04443	1.9
199.03900	1.2
201.05493	0.8
203.03355	1.0
203.08710	0.7
213.05453	1.1
217.04942	3.1
231.08148	1.3
241.04913	1.3
245.04431	1.7
248.08281	1.3
263.05515	1.9
263.10330	0.8
269.04514	0.9
271.06180	0.9
281.08145	0.9
287.05420	1.7
287.13824	1.5
288.06299	0.9
288.12598	0.7
290.07794	2.4
291.10266	3.1
293.08026	0.6
305.06573	1.7
305.14673	1.4
306.07364	1.2
323.07565	1.2
323.12839	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	323.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63194	1.6
53.03907	5.5
55.01870	8.0
55.02061	2.0
55.05501	25.9
57.02286	1.8
57.03388	5.2
57.07056	3.1
61.01146	10.0
64.90963	1.8
65.03905	3.2
67.05498	59.1
69.03374	5.1
69.07058	25.7
71.04979	8.8
71.08585	2.2
75.02669	2.0
78.04626	1.8
79.05486	49.2
81.03362	7.0
81.07047	100.0
82.17866	1.7
83.04972	16.1
83.08611	12.3
85.06525	8.0
87.02679	11.2
91.05470	57.9
91.57456	2.0
93.07035	50.6
95.04954	13.3
95.08592	33.4
97.06458	5.8
97.10090	6.8
99.04365	1.7
99.08049	4.0
102.44214	2.0
103.43172	1.5
105.07018	69.3
107.04938	11.1
107.08585	37.1
109.06538	11.3
109.10145	37.9
111.04385	2.7
111.08014	7.3
113.04163	2.8
117.06992	14.7
119.08569	43.1
121.06485	8.4
121.10128	16.2
123.04336	1.8
123.07976	7.5
123.11720	8.6
125.04120	7.5
125.09534	3.6
127.02133	15.3
128.06158	1.6
129.07161	10.2
131.08542	23.5
133.06461	8.7
133.10112	65.6
134.10413	1.6
135.08032	8.9
135.11682	11.7
137.05946	2.1
137.09517	4.9
139.05692	3.9
139.07443	3.7
139.11115	1.6
141.07002	1.6
141.09090	1.6
143.08444	7.1
145.06442	2.6
145.10086	19.3
147.07909	6.2
147.11676	19.2
149.09622	15.3
149.13179	4.0
151.11165	41.0
152.11331	2.0
153.07176	3.3
155.08514	3.2
157.10016	6.6
159.07957	3.0
159.11685	9.7
161.09485	7.5
161.13133	7.2
163.11040	6.4
165.07343	1.8
167.08826	3.9
169.10042	2.6
171.11545	6.9
173.13153	5.4
175.11003	5.1
175.14751	2.9
176.88574	1.5
177.08954	6.2
177.12689	2.3
179.10551	4.6
181.10297	2.9
181.12021	1.8
183.11653	2.1
183.13669	13.7
185.13145	2.4
187.10898	1.9
189.12653	4.1
191.14099	1.7
193.15643	1.6
195.11839	1.8
197.13177	2.1
199.14490	1.9
213.16203	1.8
217.12090	1.8
219.13599	1.8
227.17653	2.0
229.14156	2.8
233.15070	2.3
239.17773	4.5
245.18802	7.4
255.17203	3.4
257.18762	6.2
263.19836	6.8
273.18521	16.1
275.20035	64.1
276.20029	2.3
277.21356	2.1
291.19522	28.9
305.21240	12.6
323.20120	71.0
324.20422	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01866	3.5
55.05505	17.5
56.07782	0.5
57.03432	1.1
57.07057	0.7
59.04992	1.0
62.05815	0.6
62.06084	6.0
63.06401	0.5
65.03913	1.0
65.87293	0.5
67.05164	0.7
67.05495	11.7
69.03429	3.5
69.07058	13.2
70.21912	0.8
70.22324	1.8
70.65881	0.5
71.04998	1.1
73.06525	0.8
79.05482	12.3
81.03396	2.1
81.07044	12.2
83.04951	2.1
83.08613	8.6
85.02930	0.5
85.06506	0.6
89.72042	0.5
91.05471	7.8
93.07028	9.4
95.01323	0.9
95.04968	5.5
95.08594	6.0
97.02901	2.6
97.06490	1.3
97.10162	15.6
105.03355	0.6
105.07018	8.0
107.04929	2.7
107.08575	9.2
109.06521	1.7
109.10137	3.1
111.04397	0.8
111.08064	1.7
113.52089	0.5
117.07000	3.3
119.04958	0.7
119.07912	0.5
119.08585	6.4
121.06458	2.3
121.10133	3.1
123.08037	3.8
125.09618	13.2
129.07001	1.3
131.08553	5.3
133.06488	3.1
133.10135	2.9
135.08044	4.9
135.11662	0.9
137.09575	2.0
143.08545	1.6
145.10109	2.8
147.07997	3.2
147.11636	1.8
149.09618	1.3
153.09074	2.4
155.08456	0.6
157.10115	1.5
159.11696	1.5
159.29854	0.5
161.09578	1.5
163.11122	1.7
165.09090	2.0
169.10091	0.8
171.11588	0.6
175.11108	1.1
187.11194	0.6
189.11172	1.0
199.11102	0.8
199.12810	0.6
203.12744	7.3
205.12321	1.2
221.11688	0.6
223.13261	9.2
237.14818	2.4
245.19029	1.2
249.14821	1.5
255.17450	0.9
262.52698	0.6
263.20108	0.8
273.18460	9.0
277.00906	1.0
291.19510	100.0
292.19891	2.5
297.42514	0.6
300.06244	0.7
305.21060	21.6
306.21298	1.0
323.22168	4.1
323.27438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03938	2.2
55.01866	7.5
55.05505	8.9
57.03433	29.0
57.07058	1.6
65.03942	1.6
67.05161	1.8
67.05499	28.2
69.03416	2.2
69.07055	4.4
69.48746	2.1
69.49146	10.3
71.04964	3.2
79.05488	18.0
81.03378	2.5
81.07053	33.7
83.04550	1.2
83.04970	8.9
83.08617	5.7
85.02902	2.3
85.06061	1.9
85.06538	26.1
91.05482	12.1
93.07043	15.4
95.04965	41.3
95.08600	6.4
97.06518	2.4
97.10162	1.8
99.04449	1.5
105.07016	9.6
107.04955	4.1
107.08589	11.3
109.06505	33.2
109.10125	4.1
111.04433	12.2
111.08058	4.9
113.05999	100.0
117.06998	7.3
119.08561	11.6
121.06509	5.4
121.10114	6.0
123.08057	2.6
125.09635	3.1
129.06985	3.4
131.08562	9.5
133.10109	3.9
135.08047	22.7
135.11716	5.6
137.09621	1.6
142.67346	1.3
143.08542	4.4
145.10120	9.9
147.08061	5.2
147.11665	1.7
149.09595	4.3
149.13226	1.7
153.12737	5.9
155.08458	1.3
157.10072	3.5
159.08063	1.9
159.11670	3.9
161.09570	6.1
163.11153	8.8
165.09067	1.2
171.11679	2.0
173.09618	1.9
173.13147	1.3
175.11183	1.8
181.12206	8.0
191.10712	5.9
198.14403	1.1
199.14777	1.8
201.12831	1.5
213.16290	1.3
217.15862	7.4
222.45473	1.1
223.13260	1.3
226.25005	1.3
227.12773	8.2
227.17941	2.1
245.18991	1.4
249.14964	1.9
255.17528	2.7
273.18488	23.8
277.01077	1.3
291.19522	72.4
292.19849	1.3
305.21094	7.7
323.22055	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
53.03931	1.0
55.01863	3.6
55.05504	13.1
57.03419	2.6
57.07052	1.6
58.74995	0.8
59.04990	2.0
59.51574	1.0
61.41477	0.9
65.03937	1.1
67.05502	14.6
68.50616	0.9
69.03421	1.7
69.07060	12.6
69.87984	5.9
71.04973	3.5
79.05491	17.6
81.03410	2.1
81.07054	15.7
83.04965	4.7
83.08608	5.0
85.02873	1.3
85.06541	3.4
91.04949	1.6
91.05472	17.3
93.07028	17.5
95.04957	6.8
95.08603	13.8
97.06519	4.0
97.10148	3.0
98.21070	3.4
105.07024	18.7
107.04955	5.5
107.08590	12.2
109.06519	7.5
109.10139	4.1
110.07305	1.0
111.04427	4.1
111.08060	3.1
113.05947	1.5
117.07007	7.0
119.04938	1.2
119.08565	12.7
121.06500	8.1
121.10161	6.5
123.04400	1.4
123.08069	6.3
125.05972	7.1
125.09610	2.0
125.94031	0.9
128.06200	2.0
129.07007	5.3
131.08554	13.5
133.06485	4.1
133.10123	9.4
135.08061	6.9
135.11713	5.9
137.05959	5.4
137.09579	3.1
139.07509	2.6
139.11212	1.2
142.07753	1.5
143.08542	5.5
145.06468	1.2
145.10095	9.6
147.08047	7.2
147.11626	4.5
149.09634	7.0
149.13237	1.5
151.07491	4.6
151.11179	1.8
155.08632	1.4
157.10135	5.3
159.08022	2.2
159.11696	5.3
161.09598	12.2
161.13226	1.9
163.11185	6.3
165.09055	1.9
165.12735	1.2
167.10652	2.0
169.10085	1.4
171.08101	1.3
171.11626	4.6
173.09653	1.3
173.13206	1.4
175.11179	8.0
177.09152	1.0
177.12717	2.2
183.11673	1.0
185.13193	1.6
187.08673	1.0
187.11108	2.7
189.12701	4.0
191.10625	0.9
191.14243	1.7
193.12219	1.5
199.11121	1.9
203.14278	2.1
207.13695	1.1
213.12770	1.3
213.16389	1.3
221.15265	3.4
223.19890	0.9
227.14038	1.0
227.17906	2.3
232.37827	1.0
237.14754	1.7
245.19012	4.4
247.16974	1.6
249.14957	2.7
255.17580	4.3
259.20627	1.9
263.20087	2.5
267.15887	1.9
273.18481	20.4
277.21609	2.5
279.19522	1.9
287.20029	35.2
288.20297	1.4
291.19443	2.2
305.21066	100.0
306.21390	3.6
323.22186	18.2
323.26382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.01869	16.3
55.05504	39.0
57.03438	6.7
64.02525	3.3
67.05496	71.8
69.03428	8.8
69.07053	23.0
71.04993	7.7
79.05484	44.8
81.03391	4.2
81.07039	87.9
83.01319	4.5
83.04968	23.6
83.08609	13.7
85.06551	11.1
91.05473	65.7
93.07028	61.3
95.04987	18.6
95.08593	47.6
97.06503	8.7
97.10168	8.6
97.57712	4.1
99.08185	4.2
105.07030	53.5
107.04964	11.6
107.08585	45.2
108.66969	3.6
109.02895	5.8
109.06503	11.6
109.10159	46.0
111.04422	7.9
111.08095	11.7
117.07011	16.2
119.08558	26.3
121.06495	20.6
121.10130	22.3
123.04433	6.7
123.08067	8.3
123.11708	14.8
128.06133	4.8
129.07037	9.7
131.08580	22.3
133.06506	16.2
133.10106	80.7
135.08054	14.0
135.11699	15.9
137.09607	6.9
139.07549	9.7
143.08553	12.0
145.10086	19.9
147.08040	16.4
147.11693	11.9
149.09636	15.9
151.07513	4.5
151.11163	81.0
157.10118	7.9
159.11711	8.0
159.60707	3.9
161.09569	21.2
163.11169	7.8
165.09048	5.1
171.08116	4.9
171.11630	7.0
173.09628	7.7
175.11153	7.7
177.09097	14.3
179.10600	18.8
181.08627	4.8
181.12271	5.5
183.13762	27.1
185.13290	8.3
187.11240	4.3
189.12666	9.1
199.11244	4.1
227.17984	4.5
229.14383	7.6
245.19058	20.1
255.17532	4.5
263.20096	23.1
269.37161	4.0
273.18488	53.7
290.74890	3.7
291.19537	100.0
305.21234	13.0
310.87570	4.0
323.22263	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01872	13.5
55.05507	29.0
55.33242	1.6
56.30519	1.6
57.03426	6.9
57.07052	1.8
58.58965	1.8
59.07355	1.6
60.93501	1.7
61.01146	8.4
65.03931	3.5
67.05500	66.8
69.03430	4.7
69.07063	26.6
69.40340	17.6
71.04981	9.5
75.02699	2.4
79.05482	52.2
81.03423	9.3
81.07050	100.0
83.01337	3.2
83.04973	19.5
83.08627	11.4
85.06538	7.5
87.02677	9.5
91.05470	62.4
93.07035	57.0
95.04975	14.4
95.08601	33.6
97.06520	8.3
97.10181	4.6
98.20782	3.1
98.21426	4.2
99.04453	2.5
99.08088	3.5
105.07019	68.5
107.04958	14.7
107.08583	41.4
109.06506	14.8
109.10143	43.5
111.04420	3.3
111.08073	9.3
113.04216	2.2
116.27705	1.8
117.07025	14.1
119.08572	43.9
121.06509	13.6
121.10128	17.5
123.08092	9.9
123.11701	13.0
125.04195	7.7
125.05975	2.4
125.09648	4.6
126.05064	2.6
127.02142	12.2
127.07554	2.3
129.07101	9.4
131.08554	21.0
133.06462	10.6
133.09097	4.2
133.10114	80.9
135.08054	6.6
135.11703	11.3
137.04233	2.3
139.05702	2.6
139.07533	8.4
143.08549	9.6
145.06483	2.7
145.10120	19.9
147.08047	8.9
147.11665	16.1
149.09593	15.0
149.13272	4.9
151.11169	59.2
153.07341	3.7
155.08604	3.3
157.10123	5.8
159.08066	3.1
159.11655	10.6
161.09532	10.7
161.13239	8.1
163.11255	3.8
165.07254	2.6
167.08887	5.4
169.10054	2.3
171.11719	10.2
173.13249	5.5
175.11130	3.9
175.14793	3.4
177.09052	10.6
177.12775	3.1
179.10623	8.9
181.10454	3.9
183.12065	2.5
183.13771	24.3
185.13170	4.4
187.11281	2.3
187.14804	3.3
189.12732	4.3
197.13272	3.2
217.12218	1.8
229.14177	3.4
229.19409	3.5
233.15274	2.2
239.18011	3.4
245.18930	11.3
255.17525	2.3
257.19000	6.8
263.20120	9.9
273.18478	24.7
275.20020	53.2
276.20337	2.2
291.19516	37.8
296.16885	2.3
305.21307	16.0
323.20523	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
55.01854	2.7
55.05298	1.9
55.05511	21.5
55.07528	1.5
57.03437	4.2
57.07061	4.8
59.04981	5.5
65.03939	3.1
67.05500	33.3
69.03431	12.1
69.07062	40.8
71.04987	35.3
71.61691	2.9
79.05486	28.0
81.03412	3.5
81.07053	100.0
83.04965	8.3
83.08614	16.5
85.02890	2.1
85.06525	5.4
91.05472	19.6
93.07036	78.3
95.04964	14.9
95.08599	70.1
97.06534	10.0
97.10159	11.4
99.04469	2.2
105.06372	2.6
105.07024	27.2
107.04933	3.6
107.08585	61.4
109.06522	8.9
109.10146	58.4
111.08054	8.1
111.11687	6.6
113.05956	3.9
117.07012	4.7
119.08572	22.6
121.06520	5.6
121.10132	85.2
123.08057	6.2
123.11688	29.8
125.05953	5.7
125.09620	6.4
125.13223	2.0
126.21986	1.8
131.08563	5.1
133.10135	20.2
135.08022	2.7
135.11684	36.5
137.05952	3.9
137.09598	9.4
137.13235	4.0
139.07530	4.2
139.11163	7.6
143.08562	2.1
143.10638	5.4
145.10114	19.3
147.11679	10.2
149.09596	2.9
149.13278	12.7
151.11148	5.3
153.12749	13.6
157.10123	3.4
157.12128	2.0
159.11635	8.9
161.05946	1.9
161.09610	2.1
161.13246	4.4
163.11174	22.5
163.14799	2.7
165.12668	2.3
171.11708	2.5
175.14838	5.4
177.12817	3.3
177.16394	2.5
181.12234	23.0
187.14783	5.4
191.18040	2.2
201.16374	7.1
203.18115	2.2
205.15857	3.7
213.16385	4.3
223.16907	6.6
224.08519	2.2
231.08089	2.5
231.17369	2.5
245.33502	2.1
250.66220	2.4
269.22653	3.7
283.06491	2.3
287.16211	2.1
287.23663	6.5
291.09970	2.6
293.24869	3.3
305.24741	22.2
306.52216	2.3
323.09061	7.0
323.12506	4.3
323.19315	2.9
323.25891	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	324.1053
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
54.37922	0.5
55.01884	0.8
65.47005	0.6
67.05499	1.0
68.75288	0.6
69.03410	1.5
69.07043	1.9
69.35989	0.6
70.06573	1.3
71.04959	0.7
71.24350	0.7
71.24715	1.4
76.03999	3.1
77.48568	0.6
79.43616	0.7
81.07049	0.6
82.35715	0.6
84.04501	1.4
85.02885	2.7
88.28791	0.6
89.03915	1.9
91.05475	2.2
92.74014	0.5
95.41058	0.6
96.04505	0.7
97.02866	0.8
98.97562	0.7
99.04476	0.7
109.10175	1.5
111.05560	1.1
111.11727	0.8
116.98603	0.7
117.03375	6.8
118.50581	0.7
119.04993	0.8
125.07065	0.8
127.11137	1.0
130.04973	1.6
133.04945	0.7
135.04414	1.8
136.07614	0.8
139.05029	1.9
145.02829	16.6
145.04668	0.7
147.04405	2.3
149.05939	2.1
150.09079	0.9
159.19684	0.6
163.03879	11.3
165.68625	0.6
167.11775	1.2
172.68056	0.8
174.05539	0.6
177.03175	2.1
177.05457	31.0
178.05862	0.8
186.05478	0.8
187.95895	0.8
191.08096	1.5
195.11276	3.4
203.10295	0.8
237.02792	0.7
303.05017	1.7
306.03262	1.5
307.03848	0.8
324.10504	100.0
324.15213	4.7
325.10818	4.3
325.14005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1074
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.19582	0.2
51.98721	0.3
53.71087	0.3
57.03429	0.7
60.04506	0.3
61.02912	0.5
63.58648	0.3
65.03891	0.3
69.03426	1.8
69.07022	0.5
70.06586	0.6
70.61894	0.3
70.95779	0.7
70.96122	0.4
71.04972	0.8
72.08134	0.3
76.03996	2.1
76.07629	1.3
76.95290	0.3
79.05476	0.4
81.07047	0.8
82.35130	0.3
84.08138	0.5
85.02885	1.3
85.06520	0.8
86.09695	0.4
89.03898	0.6
89.54012	0.3
91.05476	2.2
95.87905	0.3
97.02872	0.6
99.04447	0.9
99.08051	0.4
105.06998	0.3
107.04922	1.8
109.06502	0.4
117.03365	0.8
119.04922	2.0
120.04470	1.4
120.08087	0.6
123.04391	0.4
127.03918	0.6
127.07550	2.6
133.31812	0.3
135.04427	1.4
139.03888	0.8
140.04228	0.4
144.04362	0.4
145.02817	1.2
145.08554	1.4
146.05966	0.4
147.04388	3.2
160.07484	0.4
162.05484	100.0
163.03888	28.4
163.05829	1.4
166.08669	0.4
172.08691	1.1
175.08722	0.4
177.05435	1.0
179.03419	0.4
185.04192	0.5
186.04459	0.4
188.07039	0.8
190.09735	6.2
191.08153	3.1
206.08080	0.5
209.93658	0.3
233.23953	0.3
307.12875	1.7
324.07440	0.9
324.10638	4.8
324.15521	12.1
324.19397	0.6
331.91553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03935	1.4
55.01859	1.4
56.96566	0.7
57.03428	3.3
61.02930	3.7
67.05495	1.8
69.03424	13.3
69.07071	1.5
70.06576	0.7
71.04976	2.5
71.27671	0.8
72.08144	0.9
73.02908	3.3
74.06058	0.8
76.04000	4.2
76.07646	1.2
79.05495	0.9
81.03409	5.1
81.07044	1.6
82.06563	0.9
83.08602	0.9
84.08135	1.3
85.02899	31.2
86.09671	1.2
87.04472	1.7
89.03911	1.9
91.03972	1.2
91.05466	9.3
95.04971	1.3
97.02893	8.3
99.04445	2.9
103.03935	6.0
105.07040	1.2
107.08594	0.7
109.02864	3.3
109.10145	5.6
110.06049	1.6
115.05434	4.7
116.04983	3.5
116.98606	0.8
117.03388	3.9
117.05775	3.2
117.07004	0.8
118.06535	69.6
119.04914	1.6
119.06882	2.4
120.05268	1.0
123.04404	4.3
124.04760	3.0
126.18729	0.9
127.03909	7.5
127.11209	7.6
129.94734	0.7
130.06514	15.7
131.07278	1.1
132.08087	11.6
134.06007	1.7
135.04430	1.4
139.03885	3.1
140.04158	1.0
141.77330	0.7
142.06523	3.0
144.03371	1.2
144.04439	17.8
145.02847	11.9
145.04910	2.7
145.06488	1.2
145.12250	2.2
147.04362	4.0
147.09103	1.2
148.04735	3.6
149.05992	2.5
155.03400	4.0
156.03693	3.8
158.06001	2.9
160.07582	16.3
161.08000	0.9
162.05492	100.0
163.03899	4.8
163.05750	2.5
164.10979	0.6
168.78790	0.8
173.07100	1.7
174.05472	5.6
175.08751	0.7
177.03201	1.5
177.05457	24.2
178.05779	0.8
180.13922	0.8
184.07582	0.9
186.05490	8.3
191.08145	12.7
204.06557	30.3
205.06685	1.0
228.06660	0.8
244.09929	0.8
288.08698	2.1
306.09796	5.1
307.12854	4.7
324.09970	1.3
325.03635	1.6
325.14053	3.6
326.80350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93453	1.0
53.03938	2.8
55.01861	2.3
55.05502	4.1
56.05025	2.7
56.96566	6.9
57.03432	7.4
57.07075	7.0
58.06605	6.8
59.04983	1.2
59.77989	1.0
60.04517	21.6
61.01097	1.1
61.02921	10.0
65.03939	1.0
67.05498	6.9
69.03071	1.8
69.03422	28.0
69.07046	1.3
70.03750	2.3
70.06586	29.6
70.08280	4.3
70.08696	1.8
71.01334	1.4
71.04974	6.5
72.08144	3.0
73.02921	7.1
73.86691	1.0
74.06076	2.5
74.97601	1.2
75.04451	1.7
75.27005	1.0
75.68108	1.1
76.03993	5.2
76.07633	3.8
79.05474	1.8
81.03410	8.0
81.07047	1.3
82.06560	3.0
83.04976	10.9
84.08134	34.3
84.95987	1.5
85.02898	68.0
85.06545	6.3
86.03227	2.9
86.06065	2.9
87.04462	7.0
88.07623	7.5
89.03912	1.9
91.03935	4.9
91.05457	4.1
93.07031	1.6
96.08127	3.8
97.02888	24.7
97.06491	2.9
98.03210	1.6
98.09692	1.5
98.97569	13.6
99.04471	5.8
100.07610	3.5
101.05999	3.1
102.05521	1.5
102.09169	3.2
107.04935	2.2
109.02854	6.9
110.97540	1.7
113.03478	1.2
114.09161	3.8
115.03866	1.8
116.98605	17.3
117.03313	1.0
118.08649	12.6
119.01856	3.5
119.04875	5.2
124.91492	1.0
126.09143	2.8
127.02951	1.6
127.03905	20.6
127.07580	2.8
128.04243	2.5
128.98586	4.1
129.09123	2.1
131.04895	1.2
134.99641	6.3
135.04410	4.1
136.06155	1.4
137.05983	4.4
143.01897	3.4
144.10165	7.8
145.01718	1.3
145.02901	1.9
145.04967	15.0
145.07588	21.0
145.08557	1.9
146.11725	2.5
146.99637	5.2
147.04373	10.8
148.04741	1.5
158.99631	9.2
160.00006	1.3
161.01196	3.9
161.02953	5.0
161.04602	5.6
161.54794	2.5
162.05574	5.7
162.11241	100.0
163.02666	2.3
163.03902	12.8
163.05988	2.0
163.08665	11.4
163.11598	2.3
164.04182	1.2
170.99683	2.4
173.02817	1.3
177.00679	17.4
177.05600	1.8
178.01033	1.6
178.52908	1.2
179.02219	1.4
179.05463	1.7
188.07071	1.1
189.00693	5.0
191.03831	1.4
195.01744	1.4
200.02437	1.2
200.04326	1.9
201.00635	2.3
203.04114	1.2
206.08171	2.6
206.10103	2.0
217.05632	1.4
219.01790	10.3
220.02133	1.8
221.03288	1.4
223.04686	1.1
233.06786	2.5
233.56920	5.5
237.02765	6.2
242.07263	3.3
242.57486	7.9
243.07492	3.7
244.07787	2.2
251.03618	1.1
261.02887	2.9
279.03891	2.0
293.05234	1.3
306.15417	2.0
309.08450	2.6
321.04926	2.1
321.08563	2.5
322.08957	2.1
324.10684	2.3
324.16498	56.3
325.10156	3.1
325.13925	16.0
325.17053	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	324.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87473	1.0
53.03933	1.5
55.01852	4.3
55.05505	2.4
56.96558	1.2
57.03434	5.4
57.07075	1.4
59.03704	1.2
59.05014	1.2
61.02926	12.7
67.05479	3.5
69.03081	1.0
69.03428	18.3
69.07031	1.5
69.80094	5.6
70.06576	2.4
71.01339	1.0
71.04976	3.9
72.08161	1.6
73.02893	5.0
73.66631	0.9
76.03994	5.9
76.07610	2.2
79.05488	2.0
81.03416	9.3
81.07043	3.7
82.09674	1.0
83.04926	1.4
84.08109	1.6
85.02898	100.0
85.06534	87.1
86.06882	1.2
86.09669	1.5
87.04437	3.2
89.03920	1.9
91.03486	0.9
91.03951	7.9
91.05465	3.7
93.07067	1.7
93.70798	0.9
95.04919	1.7
97.02879	24.1
97.06499	1.2
98.21323	2.6
98.97575	1.0
99.04451	5.9
101.02397	1.5
103.03944	2.0
105.07043	1.4
107.04929	3.8
107.08591	2.5
109.02867	8.8
109.06538	1.4
109.10128	2.7
115.03947	2.1
117.03358	2.6
118.06526	2.7
119.04924	2.1
121.02876	1.3
123.11669	1.2
127.03914	26.4
127.07551	16.8
130.05014	1.9
133.06516	1.3
134.05988	1.6
134.99577	1.6
135.04385	3.1
139.03894	1.6
145.02882	9.2
145.04948	52.0
145.08575	38.7
147.04393	5.5
149.05966	2.2
151.11154	1.2
160.07565	4.0
162.05490	6.9
162.07552	1.1
162.09047	2.9
162.11224	2.0
163.03900	24.1
163.05977	19.0
164.04163	1.5
175.07527	1.1
177.03288	1.5
177.03888	1.2
177.05452	13.7
178.05855	1.5
180.06424	1.1
188.06996	7.0
190.09743	1.1
193.08379	1.4
223.08066	2.3
229.10648	6.1
232.68044	1.2
303.04944	1.8
307.12036	1.4
324.10764	6.4
324.15509	1.6
325.02921	1.4
325.09131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
56.13799	0.6
56.96556	0.7
57.03416	1.2
61.02911	1.1
61.79246	0.6
67.05486	2.2
68.47501	0.6
69.03413	2.7
69.07054	1.1
69.98012	3.2
71.04962	1.0
71.08626	28.5
79.05475	0.8
81.03409	1.1
81.07047	2.2
85.02419	0.8
85.02898	10.3
86.09703	3.9
91.03939	0.8
91.05467	1.1
93.07045	1.7
97.02862	1.8
97.10186	0.8
99.04442	1.2
99.08083	37.5
105.07031	1.2
107.08582	0.8
109.02861	0.8
109.06479	1.0
109.10140	2.7
119.08614	0.9
127.03902	1.6
127.11178	36.4
132.10217	1.8
133.10147	1.6
137.05974	2.8
145.04962	0.8
145.12222	100.0
146.12576	1.5
147.08093	0.7
147.11594	1.1
151.11174	4.8
175.07489	1.2
204.40060	0.6
278.21185	1.0
324.13092	0.8
324.21655	2.5
325.10562	1.5
325.14139	1.3
333.58795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0914
Annotation	Skimmin
Peak:m/z	Relative Intensity
62.86048	0.2
69.03413	0.4
71.12692	0.4
79.05495	0.3
81.03400	0.3
81.07093	0.2
84.96287	0.2
85.02895	0.8
89.01530	0.2
89.03918	0.2
91.05474	4.0
97.02852	0.4
98.59039	0.2
107.04948	7.7
117.03386	0.2
119.04937	6.5
127.07489	0.3
135.04404	0.8
145.02776	0.4
147.04381	0.5
150.03000	0.2
163.03889	100.0
164.04219	3.2
177.05469	0.5
301.14349	0.3
325.14026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05495	0.2
61.02900	0.3
65.03945	0.2
67.05490	0.4
68.99763	0.3
69.03414	0.9
69.60632	0.2
69.87412	0.8
70.06586	0.4
71.04976	0.4
72.08140	0.3
73.02900	0.3
79.05477	0.5
80.25925	0.2
80.29984	0.2
81.03429	0.4
81.07059	1.0
84.04487	0.2
84.08128	0.3
85.02903	1.8
89.03917	0.2
91.05473	4.7
93.07020	0.2
95.04971	0.4
95.08561	0.2
97.02871	0.7
97.06524	0.2
98.20827	0.3
99.04455	0.2
103.99634	0.2
105.07011	0.4
107.04949	8.0
107.08583	0.3
109.02855	0.3
109.06453	0.4
109.10140	0.7
117.03396	0.2
119.04090	0.4
119.04939	7.0
119.08490	0.2
120.08036	0.2
121.10124	0.2
123.04416	0.4
123.11699	0.3
127.03885	0.7
127.11179	0.3
128.07822	0.3
129.06979	0.2
133.02831	0.2
135.04417	1.1
135.08052	0.2
137.05971	0.4
145.02814	0.5
145.04988	0.3
146.06010	0.4
147.04396	3.3
148.04739	0.3
151.11168	1.2
152.07092	0.4
163.03889	100.0
163.13251	0.4
164.04248	2.3
173.09103	0.2
177.05536	0.5
191.10126	0.3
204.06615	0.2
237.02718	0.2
261.12231	0.2
289.11069	0.4
325.03302	0.2
325.09839	0.3
325.12878	0.2
325.15985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02721	3.9
55.01866	4.2
55.05503	5.8
57.03414	3.8
63.75190	4.1
65.31366	3.8
67.05496	9.2
69.03422	25.9
69.90649	14.2
69.91066	8.4
71.01341	5.7
71.04995	9.7
73.02924	5.8
79.05477	5.5
79.55408	3.7
81.07059	10.6
83.04981	8.8
85.02905	30.8
87.04467	4.5
91.05495	5.4
95.04964	14.0
95.08604	8.2
103.05459	14.6
105.07006	4.2
107.04964	11.2
109.10159	6.9
111.04413	5.5
113.06008	13.6
115.05456	13.3
117.07008	7.6
119.04942	10.4
129.05486	8.7
129.07007	9.5
131.04922	38.8
135.04343	5.0
135.08055	4.1
137.05969	57.8
141.06981	6.0
143.04930	7.5
143.08533	4.3
145.06470	9.8
147.04407	26.3
149.05992	15.2
151.07550	24.0
155.08647	4.3
156.05757	4.7
157.06525	14.7
159.04431	7.7
160.05214	8.7
161.05954	11.2
163.03894	8.2
163.07538	73.1
167.04927	5.7
167.07021	11.8
167.08510	4.9
169.06537	7.8
174.06731	6.9
175.07556	48.3
176.04684	7.0
177.05479	29.9
179.07010	25.1
185.06036	7.3
187.07585	13.5
189.09119	13.1
191.07008	42.7
193.08665	6.5
195.06543	6.2
197.06007	11.2
199.07552	16.1
201.09055	12.2
203.07098	15.7
205.08548	7.9
207.06638	4.5
211.07645	7.1
213.05159	3.8
215.07007	4.2
217.08609	40.6
218.78186	3.6
221.08150	6.8
229.08629	28.9
231.10191	9.6
233.08072	16.6
243.10123	7.6
247.09537	4.6
253.05000	6.9
259.09677	28.6
277.10666	9.3
289.10687	11.2
293.11575	5.2
295.11792	4.6
307.11752	22.6
310.11728	4.2
325.03372	4.6
325.13989	17.6
326.03122	7.5
326.06613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52867	7.5
55.05487	11.5
57.03426	10.1
66.94652	8.6
67.05483	22.9
69.03419	29.5
69.07063	12.1
71.04978	16.7
71.61382	13.7
79.05468	13.3
81.07037	26.9
83.04959	20.1
83.34073	8.7
85.02913	58.8
85.06504	9.8
91.05476	22.7
93.07018	16.4
95.04942	28.2
95.08585	24.4
97.06541	10.7
103.05455	24.0
105.06992	13.7
107.04936	19.0
107.08614	14.8
109.10155	20.6
111.04423	20.3
113.05965	28.1
115.05445	19.7
117.07005	13.2
119.04903	12.6
119.08563	15.4
121.06516	11.5
121.10120	12.9
123.04395	34.9
123.11649	11.6
129.05490	14.6
129.06978	16.2
131.04901	79.8
134.98854	8.0
135.04398	14.3
137.05962	100.0
141.06999	9.6
143.04863	20.0
145.06488	12.5
147.04376	50.7
149.05954	18.4
151.07547	53.2
157.06448	23.1
159.04425	23.4
159.08055	10.1
160.05151	8.6
161.05971	29.6
162.03030	9.8
163.03989	15.4
163.07512	99.9
167.07027	19.3
169.06471	23.4
173.05942	10.8
175.07512	70.2
177.05450	60.0
177.09125	15.4
179.06999	41.5
185.05992	12.7
187.07544	28.8
189.09099	34.1
191.07001	78.7
193.08490	11.9
195.06557	10.5
197.05962	20.1
198.06641	10.2
199.07561	29.8
201.09082	27.3
203.06969	22.6
205.08586	9.2
211.07780	11.6
215.07031	14.2
217.08575	54.4
229.08601	51.0
231.10118	28.6
233.08096	30.7
259.09641	42.7
277.41449	7.8
289.10599	25.7
293.08051	12.1
293.40503	8.0
295.11896	9.8
307.11731	39.5
325.07202	56.4
325.10736	18.2
325.14270	31.9
326.07040	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	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.14460	0.2
55.01856	0.2
55.05470	0.2
56.96558	1.9
57.03416	0.4
58.06609	0.2
60.04509	0.2
61.01134	0.2
61.02914	0.7
69.03428	1.7
69.07074	0.2
70.06565	0.3
71.04979	0.3
71.63279	0.3
72.08142	0.4
73.02882	0.4
76.03967	0.3
76.07623	0.4
79.05482	0.3
81.03423	0.5
83.93439	0.2
84.08112	0.3
85.02898	2.8
87.04446	0.4
89.03898	0.3
91.05463	0.9
97.02906	1.4
98.97568	1.4
107.04916	0.5
109.02810	0.3
115.26194	0.2
116.98611	1.9
117.03383	0.2
117.05711	0.2
118.06525	3.3
119.01892	0.5
119.04922	0.7
121.01602	0.3
123.04437	0.3
127.03900	1.0
128.98561	0.3
133.07605	3.7
134.99648	1.0
135.04378	0.7
135.51715	0.2
136.06126	0.3
137.05914	0.3
139.03912	0.6
145.07594	100.0
146.08405	2.0
146.99643	0.5
147.04395	1.8
147.09137	0.5
149.01262	0.3
152.05652	0.8
153.06439	0.6
158.99594	0.4
161.01193	0.2
161.02896	0.3
161.55901	0.2
162.99266	0.3
163.03893	2.8
163.05049	1.2
163.08652	61.8
164.04277	0.4
164.09015	0.6
165.00697	0.2
177.00792	0.5
178.02924	0.3
187.41306	0.2
193.00244	0.3
193.03709	0.3
193.08333	1.3
212.04039	0.3
219.01888	0.3
220.04245	0.3
225.00652	0.3
237.02826	0.7
243.01756	0.4
261.03018	0.5
325.13916	87.1
326.14380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03930	5.9
55.01865	28.0
55.05503	41.1
56.96557	17.0
57.03432	17.8
57.07067	3.1
59.04982	3.5
59.58441	1.5
61.46804	1.5
62.59188	1.5
65.03933	2.1
67.05497	68.5
69.03416	7.8
69.07061	17.4
69.52219	3.1
69.52621	13.4
71.01309	1.6
71.04974	4.8
78.64266	1.5
79.05482	55.0
81.03410	12.9
81.07047	73.1
82.04171	1.8
83.04462	2.3
83.04962	19.1
83.08619	15.4
85.06531	3.5
85.86517	1.6
91.05469	48.0
93.06438	3.3
93.07030	42.5
94.04158	2.5
94.62348	1.8
95.04958	74.5
95.08591	29.7
96.05751	2.1
97.02852	4.5
97.06518	6.1
97.10162	23.1
97.99145	3.2
98.07291	4.4
99.04482	2.4
103.05486	2.4
105.07024	32.0
107.04943	51.0
107.08595	22.8
108.05730	4.2
109.02872	2.1
109.06504	52.8
109.07245	3.0
109.10145	34.1
110.07297	3.5
111.04428	7.5
111.08075	5.0
112.05225	4.6
113.05965	2.6
115.05444	3.8
117.06994	22.6
119.04929	3.1
119.08564	28.7
121.06492	12.6
121.10148	11.4
122.07270	30.4
123.04422	9.8
123.08047	5.8
123.11647	3.3
125.05940	2.7
125.09609	15.3
128.06236	2.8
129.07005	7.7
131.04846	2.3
131.08546	19.2
133.06470	11.3
133.10107	9.4
135.08051	16.2
135.11690	6.3
136.08846	3.0
137.09602	100.0
141.06990	2.9
143.08534	7.4
144.09314	2.0
145.06464	9.9
145.10104	14.6
147.08044	22.9
147.11668	4.5
148.08919	2.7
149.09590	7.0
149.13242	2.1
151.07533	4.6
151.11162	2.0
153.09047	3.6
155.08528	2.3
157.10088	2.7
159.03372	1.6
159.11681	5.1
161.09579	15.6
161.13234	3.0
162.10413	4.4
163.07539	1.7
163.11169	8.0
165.09100	6.1
169.10080	2.2
171.11691	5.9
173.09654	3.6
173.13223	8.3
175.11162	4.6
177.12679	2.4
187.14816	7.8
189.11208	13.7
189.12756	3.9
197.13307	3.5
203.14229	2.2
205.15834	4.6
215.14267	8.2
217.15910	2.0
223.14268	5.7
223.64421	3.2
224.15125	3.1
226.11963	2.6
232.14742	7.1
233.15346	51.9
243.13736	2.8
243.65640	2.6
251.16405	14.4
254.14240	2.0
261.14883	4.0
262.19070	3.5
263.14679	2.4
273.18448	6.4
279.15988	2.3
290.18756	17.9
291.19513	4.5
292.66739	2.6
301.67038	6.1
302.17603	1.7
304.17566	2.1
307.18903	2.2
308.19748	3.8
313.17963	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
52.10559	2.3
53.03935	4.4
55.01863	14.2
55.05260	4.8
55.05506	61.9
56.96549	10.1
57.03430	32.6
59.05003	2.7
67.05497	57.2
69.03413	7.5
69.07063	36.8
69.54362	18.8
71.04989	16.4
79.05041	4.0
79.05484	52.5
81.03406	10.3
81.07051	43.4
83.04960	11.5
83.08609	34.2
85.06526	6.3
91.05481	34.6
93.07033	42.5
95.01297	6.6
95.04960	28.7
95.08601	21.6
97.06530	33.5
97.10167	46.4
98.20760	5.0
105.07034	32.0
107.04944	22.3
107.08585	39.8
109.02853	5.7
109.06498	25.6
109.10161	25.0
111.04434	6.0
111.08036	4.9
113.05963	3.7
115.07594	12.2
117.07029	12.2
119.08563	29.5
121.06493	26.1
121.10126	10.6
123.04401	6.8
123.08024	9.7
125.09611	32.4
129.07008	6.7
131.08580	13.9
133.06416	6.0
133.10138	22.1
135.08051	34.4
135.11671	5.7
137.09630	20.3
143.08580	5.6
145.06465	5.3
145.10088	14.7
147.08032	12.8
147.11694	17.6
149.09602	7.4
153.09073	6.2
155.08511	3.6
157.10124	5.2
159.08040	87.4
159.11685	9.0
161.09587	9.2
163.07553	10.9
163.11197	4.8
169.10033	3.4
169.38264	2.4
171.10274	3.9
171.11697	4.8
173.09587	7.9
173.13274	3.3
175.11153	7.2
177.09172	3.8
183.11659	5.3
185.09627	7.3
185.13249	3.2
187.11157	4.6
187.14825	4.3
189.11212	23.4
189.12711	4.6
193.12207	7.3
197.09575	3.6
199.11205	3.2
211.11298	3.4
215.14397	3.2
219.13768	2.7
221.11749	3.1
229.19475	3.2
233.15392	7.7
237.14871	8.5
239.12668	3.9
243.17438	7.1
253.15852	21.9
257.19061	3.8
261.18396	6.4
271.16922	33.1
275.20020	42.1
289.17950	100.0
289.21265	5.5
290.18134	3.9
293.65515	2.8
302.66064	8.3
307.18979	76.8
307.22623	20.1
308.19415	3.3
314.17133	2.2
325.19986	33.1
325.86859	2.6
328.34781	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2004
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	5.3
55.01663	0.9
55.01868	11.1
55.05506	11.7
56.96554	3.7
57.03421	9.9
57.07044	1.8
65.03947	2.2
66.19263	1.1
67.05496	45.7
69.03416	4.1
69.07059	19.2
71.04987	7.3
71.23409	1.8
71.23759	2.6
77.78889	1.1
79.05486	25.9
81.03406	11.8
81.07044	36.1
83.04971	14.1
83.08614	3.5
85.06512	7.2
91.05474	26.1
92.19812	1.1
93.07036	24.4
95.04959	12.3
95.08594	17.3
97.06519	100.0
97.10155	3.0
99.04393	1.8
105.07011	22.4
107.04950	10.7
107.08584	21.3
109.02829	1.0
109.06499	8.8
109.10147	31.5
111.04433	8.5
111.08050	7.5
113.05992	8.2
117.07024	5.9
119.04949	1.2
119.08561	9.2
121.06534	8.0
121.10123	6.9
123.04416	2.5
123.08073	7.5
123.11681	3.8
125.05946	1.3
125.09614	4.6
127.07561	3.0
129.06984	3.8
131.08554	7.2
133.06496	3.2
133.09090	1.9
133.10112	40.2
135.08089	7.0
135.11700	6.9
137.05943	2.3
137.09610	2.6
139.07576	1.7
141.06963	1.9
141.30922	1.3
143.08534	3.8
145.06451	3.7
145.10100	5.8
146.19252	1.3
147.08052	2.5
147.11679	4.4
149.09613	3.0
149.13283	2.8
151.07558	1.6
151.11177	17.0
157.10136	1.6
159.08051	4.6
159.11708	7.1
161.09607	3.9
161.13202	1.4
163.07561	2.5
163.11090	1.9
165.09064	2.0
169.10112	1.8
169.12212	5.8
173.09581	1.3
173.13235	2.2
175.11215	2.8
177.12729	5.3
179.10637	1.7
183.10219	1.5
183.11688	1.5
187.11209	5.6
187.14833	1.7
189.11200	1.3
193.12231	2.6
195.13808	3.9
205.12236	3.8
205.15945	1.3
211.13261	3.8
215.12738	3.3
215.14474	2.0
221.11720	3.7
223.13295	2.9
231.65303	1.2
233.15355	4.1
241.14302	14.9
243.17545	3.2
253.15887	2.0
261.18576	7.9
269.64474	1.3
271.16852	6.1
275.20035	3.6
289.17944	35.8
293.65591	4.0
293.93570	1.2
302.66037	11.1
307.19022	20.9
312.17383	1.2
314.17145	3.0
325.20148	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	325.2004
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03930	1.5
55.01656	0.8
55.01870	6.5
55.02090	1.1
55.05510	11.2
55.76617	0.9
57.03431	7.2
67.05498	30.4
69.03421	3.5
69.07057	13.7
69.96214	2.0
69.96628	3.1
71.01312	1.3
71.04989	5.2
77.95918	1.2
79.05043	1.9
79.05482	24.3
81.03411	3.1
81.06567	2.2
81.07048	46.4
81.53283	0.9
83.04980	5.4
83.08619	4.3
85.06544	5.6
91.05467	21.3
93.07032	19.6
95.04964	11.9
95.08594	14.0
96.36948	0.9
97.06521	100.0
97.10168	2.4
98.06864	1.0
98.21453	1.3
99.04447	1.9
99.08086	2.1
103.05501	1.2
105.07017	19.1
107.04942	4.3
107.08583	15.3
109.06493	22.1
109.10143	25.3
111.04426	3.2
111.08060	9.4
113.05971	6.7
115.07588	1.4
117.06977	4.8
119.08543	8.4
121.06501	4.2
121.10154	7.7
123.04391	1.9
123.08064	4.4
123.11671	4.5
125.09600	2.1
127.07522	1.8
129.06984	1.4
131.08549	6.4
133.06483	1.8
133.10117	29.7
135.08063	3.6
135.11696	2.7
137.05952	3.1
137.09608	3.5
139.07581	1.5
139.11182	1.3
143.08577	1.1
145.10136	4.0
147.08038	2.8
147.11670	1.9
149.05885	1.0
149.09631	4.2
151.11165	13.5
157.10110	2.6
159.08057	2.2
159.11682	3.0
161.09615	2.8
163.07558	1.2
163.11171	1.2
165.09053	1.5
165.12782	1.4
167.10658	2.5
169.12247	3.6
171.11690	1.2
171.81592	1.1
173.09628	2.3
175.11220	2.7
177.09125	2.7
177.12863	2.0
179.07030	1.0
179.10663	2.6
183.10143	2.8
185.11705	1.0
187.14786	1.8
189.11266	1.0
189.12764	1.3
191.10718	1.5
193.12340	2.0
195.10229	1.4
207.13849	1.1
211.13336	2.7
215.12691	1.8
221.11755	3.6
223.13016	1.0
225.16360	1.5
233.15364	1.3
235.13281	1.2
239.12900	1.1
243.17429	2.0
261.18582	6.5
271.16895	6.0
279.19516	2.1
289.17953	22.2
290.18298	1.2
295.46713	1.1
307.18942	14.5
325.19977	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	325.2005
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03931	6.1
55.01866	33.9
55.05258	3.6
55.05507	46.4
56.96571	13.9
57.03432	21.3
65.03923	4.3
66.28859	2.3
67.05499	73.0
69.03407	6.2
69.07067	20.3
70.25926	10.6
71.04976	5.4
76.11685	1.9
79.05484	64.1
80.06262	2.8
81.03409	13.1
81.07050	76.8
82.04178	3.5
83.04977	22.9
83.08622	18.2
85.06527	4.5
91.05476	51.8
93.07031	46.2
94.04195	4.4
95.04956	77.2
95.08597	32.8
95.63009	2.5
97.02911	2.9
97.06516	4.4
97.10162	23.4
98.07290	4.7
105.07022	34.0
107.04945	58.5
107.08585	27.7
109.06507	55.7
109.10135	34.0
110.07275	3.0
111.04419	9.0
111.08083	3.2
112.05194	3.8
113.05959	3.2
115.05419	7.3
116.00177	3.5
117.06999	21.2
119.04947	3.9
119.08575	28.2
121.06493	12.4
121.10131	11.5
121.49699	2.1
122.07284	28.2
123.04419	9.5
123.08035	10.3
125.09632	15.9
128.06239	4.3
129.06989	8.1
131.08562	19.1
133.06467	14.9
133.10120	12.5
135.08028	15.4
135.11687	5.9
137.09601	100.0
141.06966	4.5
142.07826	3.4
143.08543	7.1
145.06494	13.5
145.10095	12.2
147.08034	21.0
147.11679	3.8
149.09599	4.4
149.13052	2.5
151.07486	5.6
153.09045	3.4
155.08543	3.6
157.10062	3.8
159.08014	3.0
159.11694	6.3
159.40109	2.5
161.09650	16.7
161.13354	3.0
162.10362	6.8
163.11176	5.8
165.09096	7.5
169.10173	3.2
171.11688	8.8
173.09573	3.2
173.13229	8.6
175.11133	5.9
177.12767	4.1
187.11121	3.1
187.14830	9.0
189.11191	10.3
189.12750	4.3
191.10776	3.3
197.13155	4.7
203.14247	2.4
205.15857	7.3
215.14268	9.0
217.15796	3.3
223.13960	5.1
224.15077	3.6
232.14821	8.7
232.64952	2.4
233.15329	58.6
241.15416	4.0
251.16263	13.2
255.17497	2.4
261.14838	4.7
262.19339	3.6
273.18448	7.2
290.18655	18.1
291.19531	9.9
292.66739	7.0
301.67294	5.6
302.17245	3.1
308.19873	4.4
313.17941	3.0
313.67996	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23855	2.8
55.01867	10.2
55.05507	22.4
56.96552	11.5
57.03445	5.8
57.07064	7.9
59.04992	3.9
67.05505	59.5
69.03445	3.2
69.07060	35.8
71.04645	5.5
71.04988	35.1
73.06561	14.1
79.05491	43.8
81.03414	10.0
81.06564	5.5
81.07053	100.0
83.04967	8.5
83.08603	21.1
85.06521	4.3
91.05482	35.6
92.68929	2.5
93.07043	41.1
95.04977	16.4
95.08602	46.5
96.20431	3.0
97.06528	18.4
97.10173	7.5
99.08075	4.4
105.07035	35.2
107.04969	13.1
107.08604	25.2
109.06526	27.4
109.10146	23.8
111.04449	11.8
111.08086	11.1
113.09644	5.6
113.96384	3.1
115.05447	2.8
117.07009	8.5
119.08584	31.8
121.06502	10.4
121.10139	24.6
123.08080	13.4
123.11701	10.8
125.09610	7.0
129.06946	7.0
131.08572	21.4
133.10118	24.0
135.08040	10.4
135.11684	17.8
137.09607	13.2
139.11154	3.7
143.08565	4.1
145.10091	18.2
147.11668	26.3
149.09601	20.3
149.13251	9.5
151.11198	9.5
157.10133	4.6
159.11693	12.2
160.20955	3.1
161.09616	3.4
161.13202	3.8
163.11182	14.7
163.14883	3.9
165.12781	7.1
171.11647	6.0
173.13283	9.9
175.11211	5.9
177.12793	4.6
187.11365	3.0
221.84158	3.4
223.13293	4.2
229.19630	4.3
239.17934	5.0
247.20546	7.5
257.18906	6.4
272.15259	5.4
275.15549	3.4
275.20059	80.5
276.20349	6.3
283.66135	3.5
289.67148	3.0
293.21005	22.3
295.88959	2.7
301.67160	7.9
307.22632	29.7
307.88788	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50105	2.7
52.62770	3.0
53.03934	6.8
55.01849	11.2
55.05251	4.8
55.05502	46.6
56.96561	17.1
57.03433	21.7
57.07058	4.5
58.93649	2.6
59.04992	4.1
67.05495	54.0
69.03414	6.5
69.07050	30.6
69.37493	32.1
71.04989	22.0
73.06527	2.9
73.93554	2.6
79.05487	47.3
81.03391	9.3
81.07051	57.2
83.04958	7.3
83.08606	24.0
85.06513	4.8
86.09663	4.6
87.04443	4.3
91.05473	44.9
93.07042	47.6
95.01292	7.3
95.04952	18.7
95.08595	32.3
97.06516	33.6
97.10155	26.9
98.20761	5.4
99.08054	5.6
105.06364	4.4
105.07021	47.5
105.07681	5.6
107.04902	15.5
107.08573	36.6
109.06503	18.5
109.10133	30.1
111.04417	3.8
111.08055	7.5
112.92343	3.1
115.07558	12.3
117.07001	13.5
119.08569	49.4
121.06498	22.5
121.10144	17.5
123.08025	10.1
123.11698	2.9
125.05957	4.8
125.09612	23.8
131.08546	21.6
133.06467	6.0
133.10104	31.4
135.08046	21.7
135.11636	10.9
137.09584	17.0
139.11223	3.7
143.08519	8.3
145.10117	22.8
147.08005	8.4
147.11649	17.9
149.09563	14.7
151.11107	3.7
155.08549	4.1
157.10091	10.8
158.85103	3.1
159.08025	48.8
159.11658	17.3
161.09645	7.6
161.13200	6.5
163.07544	5.3
163.11171	8.8
169.10115	3.9
171.11639	6.6
171.28694	3.1
173.09572	4.4
173.13246	7.8
175.11195	4.9
177.09065	3.5
183.11676	6.3
185.09639	4.2
185.13240	6.0
187.11073	3.9
189.11188	12.1
189.12723	5.2
191.10596	3.7
197.13214	3.1
199.11310	3.3
215.14304	6.4
233.15364	14.4
237.14792	3.8
239.17851	4.2
247.20343	4.8
251.16342	5.1
253.15918	7.7
257.18900	10.3
261.18369	4.9
271.16852	22.6
272.66006	3.3
275.20020	100.0
289.17947	54.2
289.21198	5.3
293.21005	7.4
302.66068	3.4
307.18918	36.4
307.22629	37.0
311.94815	3.3
323.18970	4.0
325.20087	23.6
345.80609	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01855	7.7
55.05504	52.3
57.07090	4.0
59.04995	4.8
67.05495	77.0
69.07053	31.4
71.04987	38.8
72.93790	5.1
73.06543	16.8
78.00584	3.4
79.05482	47.8
81.07049	94.2
83.04977	8.2
83.08618	26.1
85.06532	8.3
91.05474	48.2
93.07028	65.5
95.04975	27.7
95.08600	72.4
97.06519	22.0
97.10181	6.4
97.95715	3.5
99.08083	5.5
105.07021	52.7
107.04962	7.4
107.08596	39.6
109.06522	17.6
109.10145	38.1
111.08100	11.1
113.96362	13.3
117.07016	15.2
119.08547	44.6
121.06507	9.0
121.10114	28.6
122.79647	3.7
123.08046	12.2
123.11681	11.6
125.09598	7.1
128.43233	3.8
129.06963	4.5
131.08574	22.4
131.97443	12.9
132.40315	3.9
133.10101	38.7
135.08054	10.7
135.11688	16.8
137.09615	14.4
143.08560	5.4
143.52444	4.4
145.10115	34.0
147.11719	21.2
149.09575	31.0
149.13264	8.6
151.11234	8.0
154.98952	10.7
155.08478	4.2
157.10066	6.9
159.11748	18.7
161.13197	5.8
163.11206	30.4
171.11667	5.1
173.13182	9.6
177.12738	7.5
183.11656	5.5
185.13298	5.7
193.12372	4.4
197.13133	4.3
207.13875	4.8
215.17851	4.5
223.13269	7.9
225.25294	3.9
229.19621	13.1
239.17924	12.7
242.05885	4.5
247.20554	15.4
257.18948	19.1
263.20059	6.0
265.21686	11.2
275.20062	100.0
293.21002	22.4
307.22629	38.9
320.67429	4.8
325.23654	18.0
325.27069	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	325.2368
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.03934	5.0
53.06350	2.9
54.05081	3.0
55.01860	19.0
55.05506	69.9
56.96559	5.5
57.03434	4.4
57.07063	4.0
65.03913	3.8
67.05500	59.1
69.03413	8.0
69.07059	46.2
69.52832	28.0
71.04978	12.0
71.08640	16.9
73.06546	27.7
73.07586	3.4
79.05488	44.8
81.07049	72.2
83.04984	24.6
83.08611	40.7
85.02880	5.6
85.06528	10.3
91.05463	39.1
93.07032	51.9
95.04961	76.3
95.08599	40.3
97.06519	9.4
97.10175	15.4
99.04447	7.4
99.08073	20.3
102.67058	2.9
105.07021	56.1
107.04953	13.8
107.08583	64.6
109.06516	34.8
109.10136	41.7
111.04420	25.9
111.08038	19.2
113.05988	3.2
117.06992	13.3
119.08579	24.8
121.06477	16.5
121.10126	27.0
123.08037	7.0
123.11703	10.0
125.06038	4.4
125.09616	23.5
129.06946	3.1
131.08536	17.7
133.10117	46.2
135.08054	11.1
135.11699	18.3
137.09628	3.5
137.13271	3.4
139.07487	3.6
139.11148	7.4
145.10107	26.3
147.08046	4.5
147.11720	13.8
149.09593	41.5
151.11183	25.1
153.12738	10.7
157.10112	6.0
159.11670	10.7
161.09657	5.0
161.13258	4.3
163.11188	32.2
165.12762	50.1
169.12274	9.7
171.11703	8.9
173.13216	5.5
177.12732	9.8
179.10657	5.4
181.12280	9.0
181.15761	8.1
187.11166	4.6
189.11194	19.0
189.12695	4.6
191.10626	6.6
201.12813	3.9
205.12206	6.1
223.13306	48.3
235.16837	3.9
237.14639	5.5
239.18025	5.1
247.20490	3.8
257.19110	9.1
261.22128	15.5
275.20026	79.1
276.20557	3.8
289.21576	40.6
291.19519	4.3
293.21091	73.4
294.21451	7.2
307.22641	100.0
308.23138	6.3
325.23508	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	325.2372
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
50.23855	2.8
55.01867	10.2
55.05507	22.4
56.96552	11.5
57.03445	5.8
57.07064	7.9
59.04992	3.9
67.05505	59.5
69.03445	3.2
69.07060	35.8
71.04645	5.5
71.04988	35.1
73.06561	14.1
79.05491	43.8
81.03414	10.0
81.06564	5.5
81.07053	100.0
83.04967	8.5
83.08603	21.1
85.06521	4.3
91.05482	35.6
92.68929	2.5
93.07043	41.1
95.04977	16.4
95.08602	46.5
96.20431	3.0
97.06528	18.4
97.10173	7.5
99.08075	4.4
105.07035	35.2
107.04969	13.1
107.08604	25.2
109.06526	27.4
109.10146	23.8
111.04449	11.8
111.08086	11.1
113.09644	5.6
113.96384	3.1
115.05447	2.8
117.07009	8.5
119.08584	31.8
121.06502	10.4
121.10139	24.6
123.08080	13.4
123.11701	10.8
125.09610	7.0
129.06946	7.0
131.08572	21.4
133.10118	24.0
135.08040	10.4
135.11684	17.8
137.09607	13.2
139.11154	3.7
143.08565	4.1
145.10091	18.2
147.11668	26.3
149.09601	20.3
149.13251	9.5
151.11198	9.5
157.10133	4.6
159.11693	12.2
160.20955	3.1
161.09616	3.4
161.13202	3.8
163.11182	14.7
163.14883	3.9
165.12781	7.1
171.11647	6.0
173.13283	9.9
175.11211	5.9
177.12793	4.6
187.11365	3.0
221.84158	3.4
223.13293	4.2
229.19630	4.3
239.17934	5.0
247.20546	7.5
257.18906	6.4
272.15259	5.4
275.15549	3.4
275.20059	80.5
276.20349	6.3
283.66135	3.5
289.67148	3.0
293.21005	22.3
295.88959	2.7
301.67160	7.9
307.22632	29.7
307.88788	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	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03929	3.8
55.01857	4.4
55.05503	27.4
56.96560	3.8
57.03432	2.9
57.07060	9.8
65.78278	2.5
67.05499	25.6
69.03407	6.6
69.07061	100.0
71.05002	5.9
71.08672	3.0
79.05485	19.6
81.03412	7.8
81.07050	84.1
83.04978	5.0
83.08616	18.0
85.02901	3.3
85.06543	17.1
91.05465	13.9
93.07030	34.7
95.04946	14.1
95.08601	63.7
97.06527	13.4
97.10151	9.1
98.21140	17.1
99.08101	5.9
105.07022	31.2
107.04916	5.3
107.08578	32.7
109.06516	19.0
109.10156	35.6
111.08065	11.3
111.11693	19.1
113.06074	3.1
113.73656	2.2
117.07037	7.0
119.08575	20.9
121.06522	3.6
121.10127	33.8
123.08077	10.7
123.11691	51.9
125.09603	4.4
131.08537	6.3
133.10106	11.3
135.08040	7.3
135.11688	8.8
137.05933	3.4
137.09587	4.4
137.13246	8.7
139.03918	4.0
139.11159	27.0
145.10117	7.9
147.11667	18.5
149.01215	4.8
149.13240	17.4
151.11165	10.7
153.12744	8.2
159.11674	4.4
161.13208	7.5
163.03909	7.8
163.14807	7.7
165.12714	20.6
169.12183	10.3
173.13301	5.8
175.14732	4.6
177.05412	8.0
183.13771	5.9
187.14806	4.0
201.16451	3.3
229.38652	2.8
244.09514	13.1
259.24121	3.5
264.29025	2.7
271.16876	5.6
271.24115	8.1
277.25287	5.3
289.18030	7.8
289.25220	17.4
307.19006	8.0
307.26282	37.9
325.10965	6.1
325.20905	3.3
325.27402	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	325.2733
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.40981	0.7
53.03939	0.9
55.01873	0.9
55.05256	1.0
55.05508	14.3
56.96563	0.9
57.03430	1.6
57.07068	5.7
59.04989	1.7
65.03937	0.6
67.05492	9.4
69.03427	2.1
69.07059	100.0
69.82253	4.4
70.07397	0.6
71.04972	1.6
73.06570	1.0
79.05486	2.9
81.03431	0.7
81.07046	31.4
83.04972	1.8
83.08604	7.6
85.02940	0.7
85.06535	4.9
91.05488	2.5
93.07032	10.0
94.32289	0.7
94.91338	0.7
95.04969	1.5
95.08598	27.7
97.06515	4.6
97.10168	2.7
99.08074	6.6
101.06017	2.4
105.07009	4.3
107.04942	0.8
107.08578	8.5
109.06545	2.3
109.10142	16.0
111.08093	2.2
111.11704	26.8
113.09647	1.0
119.08552	4.7
121.06553	1.1
121.10127	9.7
123.08075	1.4
123.11679	9.4
123.51687	0.6
125.09615	1.0
125.13271	1.0
127.11219	1.6
129.12756	1.9
131.08557	1.4
132.30875	0.7
133.10127	3.2
135.08047	1.5
135.11676	5.9
137.09589	1.7
137.13203	3.8
139.11166	23.1
145.10086	1.5
147.11719	1.8
148.97479	0.6
149.13188	4.3
151.11186	1.3
151.14813	4.9
153.12756	2.1
155.10632	1.0
157.12233	4.0
159.11754	2.3
161.13261	2.9
163.03906	1.7
163.11194	0.9
163.14893	2.1
165.12788	2.8
167.14297	2.4
173.13255	1.1
175.14798	1.0
177.12805	0.8
177.16364	1.2
179.14293	4.3
187.14822	0.9
191.17924	0.9
195.13850	0.9
215.18011	1.0
251.20198	0.9
263.23782	1.6
271.24353	1.3
289.25214	6.0
295.26477	2.1
307.26270	45.4
308.26724	1.3
325.10910	0.9
325.27258	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	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.3
70.45691	1.6
70.46066	1.8
70.52037	0.9
97.02970	0.9
98.97588	4.9
98.98472	2.1
101.00867	1.0
103.33371	0.8
116.98588	4.2
119.01919	5.2
123.88295	0.9
134.99692	3.7
137.02936	2.8
145.03546	0.8
146.99634	0.9
153.00677	0.9
153.35408	0.8
173.02925	1.1
174.99225	1.3
177.00938	11.4
178.01106	2.0
201.00996	1.2
206.97842	0.9
216.13602	1.1
217.04100	3.7
218.24312	0.7
219.01996	23.3
220.02165	3.2
221.01929	1.0
224.99042	1.4
225.00990	2.6
227.02545	2.7
242.03508	0.9
243.01929	5.5
260.00125	2.0
261.03049	100.0
262.03204	9.9
263.03314	1.0
267.01913	1.8
277.00766	1.4
278.01102	1.9
279.00711	1.4
284.00162	3.7
284.04703	4.2
284.99963	1.8
301.01111	1.2
302.01132	10.1
303.00806	4.9
303.04126	6.6
321.05154	1.5
326.12009	2.3
339.06201	2.0
344.02234	3.1
345.02014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66275	0.6
53.03915	0.8
55.01860	4.2
55.05504	4.2
56.96566	7.7
57.03420	0.7
57.07062	1.6
64.82951	0.6
67.05163	1.1
67.05502	14.9
69.03423	1.1
69.07060	5.7
71.04986	2.3
71.06876	0.7
71.07217	1.4
71.08601	0.6
79.05495	4.9
81.03397	0.9
81.07053	18.5
82.07347	0.6
83.04982	3.9
83.08615	1.8
85.02916	0.9
85.06532	2.2
88.07593	0.7
91.05473	11.1
93.07032	9.0
95.04966	2.3
95.08596	6.7
95.09610	0.6
97.06500	1.5
97.10114	0.7
98.98457	100.0
99.04450	1.5
105.07016	14.4
105.07664	1.1
107.04939	1.2
107.08587	15.6
109.06510	2.7
109.10143	24.5
110.10514	0.9
111.08086	0.9
113.05981	1.2
116.99508	4.5
117.07045	1.1
119.08590	3.9
121.06480	1.4
121.10131	2.7
123.08056	1.4
123.11698	3.2
125.09629	1.1
127.07571	1.4
129.06984	1.1
131.08549	2.3
132.81502	0.8
133.10117	29.1
134.10439	0.7
135.08051	1.4
135.11644	1.7
137.09627	0.9
140.01060	1.4
143.08539	1.2
145.10117	2.4
147.08084	0.8
147.11668	1.7
149.09657	1.1
151.11168	22.7
157.10072	0.9
159.11656	1.6
161.09596	1.4
163.11357	0.6
169.12215	7.4
171.11726	0.8
173.09698	0.6
174.99196	15.0
175.11194	1.3
179.10724	1.1
182.50401	0.5
189.16385	0.7
193.05023	1.8
215.12735	3.2
224.15106	1.9
233.15620	2.4
233.65680	1.9
245.19179	0.6
246.14577	1.0
251.00032	4.6
257.13272	0.6
263.20032	1.3
273.16061	0.7
273.18494	3.8
275.66339	1.4
284.66754	0.8
285.22571	0.7
287.67978	0.6
291.19540	7.8
293.67679	1.3
294.17984	0.8
302.67969	4.0
303.18274	2.6
305.17966	1.1
311.68329	0.9
312.11804	0.7
314.18820	3.0
314.69012	1.0
325.69656	1.1
325.76196	4.1
326.22070	1.6
326.26349	1.0
327.25516	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03949	0.4
55.01860	0.8
55.05501	0.4
56.96553	0.3
59.14331	0.3
62.39888	0.3
65.03929	0.4
65.87231	0.4
67.05482	0.8
69.03429	0.4
69.07056	0.4
71.04999	0.3
71.18664	0.6
79.05489	2.6
81.03421	0.4
81.07050	1.8
91.05473	3.9
93.07027	1.4
94.04169	1.6
95.04954	1.4
95.08624	0.6
98.98455	76.9
103.05455	16.8
105.07027	8.3
107.04940	2.5
107.08595	0.7
108.05733	0.6
109.02875	0.5
109.06505	2.2
115.05447	1.6
116.99475	2.5
117.07028	2.3
119.04910	1.2
119.08582	0.5
120.05666	0.4
121.06487	7.0
122.03630	7.3
123.04397	1.6
123.08068	0.9
129.07053	0.8
131.04910	20.8
131.08490	0.5
133.06477	33.7
134.06833	1.0
135.08043	11.0
137.05962	100.0
138.06325	1.7
140.01071	0.5
143.04935	1.7
143.08522	0.6
144.05679	0.7
145.06477	8.3
147.04393	1.4
147.08046	2.5
149.05975	2.2
151.07521	11.8
155.05902	0.4
157.06505	2.9
160.05241	0.6
161.05948	0.6
162.06744	0.8
163.07527	53.5
164.07883	1.5
165.09132	1.0
171.08049	2.2
174.99211	13.0
175.03889	4.1
175.07547	3.3
176.04541	0.5
177.09084	1.3
178.07637	0.4
187.07520	1.2
189.09070	2.9
192.09274	0.5
202.07712	0.9
203.10661	2.0
205.04955	0.8
207.08051	1.1
211.53777	0.4
217.10014	0.7
220.08740	1.0
221.09750	0.5
235.07390	0.6
235.11119	2.1
245.09567	1.1
246.07367	0.5
248.08456	0.7
249.09193	0.4
250.99995	2.8
263.10690	4.2
265.08813	0.5
265.12006	0.5
277.08765	0.5
295.10013	0.6
295.13239	13.5
295.16574	0.7
296.13599	0.8
312.13565	0.4
327.08578	3.4
327.12476	0.8
327.15845	13.2
328.16144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2161
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03932	3.7
55.01854	8.1
55.05503	44.1
57.03413	5.5
59.04985	1.9
65.03926	2.5
67.05501	28.5
69.03410	6.4
69.07053	18.1
69.39492	13.1
69.39906	4.5
71.04971	4.2
79.05483	30.3
81.03412	13.7
81.07047	58.9
83.04964	16.1
83.08614	35.2
85.02914	2.5
85.06520	3.0
91.05466	16.7
93.07025	23.7
95.04973	10.0
95.08586	20.8
97.02853	2.3
97.06498	6.5
97.09527	2.9
97.10159	56.4
98.21360	3.5
98.98454	100.0
99.08076	7.3
105.07005	14.6
107.04939	4.8
107.08576	23.2
109.06496	7.1
109.10117	7.8
111.04473	8.8
111.05083	1.8
111.08041	5.8
116.99505	3.3
117.07003	6.2
119.08569	14.4
121.06500	3.0
121.10110	9.4
123.04391	2.2
123.08044	24.7
124.54565	1.9
125.09610	46.2
129.06982	3.1
131.08543	9.3
133.06473	3.1
133.10092	5.7
135.08012	8.0
135.11656	7.7
137.09578	8.0
139.11153	5.0
141.09079	2.4
143.08534	3.6
143.10657	2.3
145.10062	10.9
147.08017	6.0
147.11630	4.2
149.09590	4.6
149.13210	1.9
153.09071	5.4
153.12657	1.9
157.10077	5.4
159.11734	3.0
161.09586	2.9
162.64250	1.7
163.11150	13.7
165.09074	7.0
171.10120	3.3
171.11623	3.1
173.09511	3.6
173.13260	2.4
174.99210	13.8
175.11172	3.8
181.12215	3.0
189.11191	56.7
189.12880	3.4
191.10614	5.8
193.12209	5.6
211.13358	3.2
223.13179	2.8
227.12701	5.1
237.14775	2.8
249.14857	2.3
255.17393	2.4
263.19885	2.1
273.18481	20.7
274.18796	2.0
291.19501	82.8
292.19803	5.1
309.20584	41.9
327.17108	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	327.2162
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01865	2.5
55.05506	6.4
56.96548	2.3
57.03411	0.8
59.59780	0.9
67.05499	7.3
69.03445	1.1
69.07075	2.8
70.87373	1.6
70.87717	1.3
71.04990	1.4
79.05499	5.9
81.03413	2.5
81.07047	11.3
83.04967	2.3
83.08621	3.5
89.58062	0.9
91.05479	3.9
93.07058	4.2
95.04973	3.0
95.08588	3.7
97.06514	2.1
97.10165	8.8
98.20947	1.2
98.98458	100.0
99.08096	1.3
105.07050	3.1
106.36028	0.9
107.04959	2.2
107.08611	4.2
109.06531	1.5
109.10149	1.9
111.04457	1.4
111.08067	1.0
116.99492	3.9
117.06982	1.6
119.08591	2.8
121.06518	1.0
121.10154	2.3
123.08074	4.3
125.09636	5.4
131.08572	2.1
133.06546	1.2
133.10107	2.1
135.08047	1.5
135.11678	1.6
137.05908	0.9
137.09625	2.2
140.00974	0.9
143.08553	1.3
145.10129	1.2
147.08109	1.2
149.09622	1.4
153.09093	0.8
157.10104	1.4
159.11684	1.2
163.11157	2.4
165.09106	0.9
174.99222	17.3
189.11200	10.0
191.10857	0.8
193.12285	1.2
208.96466	1.0
211.13338	0.9
211.56635	0.9
223.13319	0.8
250.99995	2.5
273.18521	3.5
291.19547	15.4
292.19730	1.4
309.20657	6.5
327.16962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01859	4.5
55.05517	11.7
57.03433	2.6
57.07058	5.5
59.04978	2.6
65.03936	2.7
67.05496	32.7
69.03422	2.7
69.07063	14.6
70.89387	4.1
71.04974	4.8
73.43010	1.6
74.29156	1.7
77.03863	1.9
79.05476	20.6
80.36911	1.9
81.03405	2.4
81.07051	29.2
83.04946	2.5
83.08609	4.8
85.06518	4.8
91.05473	34.7
93.07037	74.5
94.07330	2.3
95.04964	86.0
95.08600	55.5
97.06509	17.7
98.98456	100.0
100.12326	1.9
105.07021	58.0
107.04941	2.2
107.08586	36.8
109.06496	12.9
109.10142	25.1
111.08002	2.3
115.05431	4.3
116.06128	2.2
116.99464	3.6
117.07007	14.3
119.08572	65.0
121.06503	19.0
121.10127	33.4
123.08070	17.1
123.11706	8.8
128.06172	4.3
129.06989	8.1
130.07761	6.7
131.08554	30.6
133.06471	3.7
133.10123	45.3
135.08057	9.9
135.11684	12.8
137.09599	5.6
141.06979	3.5
142.07794	10.8
143.08568	20.5
144.09293	6.1
145.10118	39.0
147.08061	3.0
147.11685	14.0
149.09586	5.1
149.13249	3.0
151.11169	3.1
154.07820	1.8
155.08511	7.9
156.09357	5.6
157.10124	37.7
158.10884	4.6
159.08011	3.7
159.11676	42.7
161.09630	16.1
161.13239	7.4
163.11235	2.3
167.08595	3.0
168.09294	2.7
169.10101	15.6
170.10855	4.9
171.11691	15.9
172.12399	3.5
173.09624	4.7
173.13245	19.4
174.13972	2.6
174.99239	18.5
175.11215	4.5
175.14815	17.4
179.08615	4.3
181.10060	5.8
182.10829	3.5
183.11681	13.9
184.12410	4.6
185.13254	9.7
187.11142	6.5
187.14786	17.3
189.12767	3.6
189.16357	3.7
193.10095	2.2
194.10783	2.1
195.11678	6.3
197.13252	11.5
199.14804	12.2
201.16333	6.0
203.14227	2.1
205.15863	4.1
207.11734	3.4
209.13232	5.7
211.14807	7.2
213.16313	3.7
215.14409	3.2
217.15800	6.3
221.13246	2.7
223.14827	1.8
225.16399	6.0
227.14330	2.0
229.15857	3.5
235.14774	4.3
237.16179	2.1
239.14378	2.3
239.18015	3.3
241.19617	2.0
249.16464	1.8
250.99965	4.6
253.15886	4.2
265.19446	2.9
281.22656	3.2
283.20605	2.3
291.20978	3.4
309.21970	7.7
327.07779	3.6
327.23178	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01855	2.8
55.05512	16.2
57.03419	2.8
57.07047	8.3
59.04982	2.8
65.03904	4.0
67.05492	36.1
69.03391	3.3
69.07058	18.5
70.36876	4.8
71.04974	2.7
72.08141	7.2
79.05476	25.5
81.03402	5.4
81.07048	39.3
83.08596	9.0
85.06517	6.1
91.04950	3.6
91.05466	41.9
93.07025	100.0
94.07380	2.1
95.04958	92.6
95.08593	70.7
96.42532	2.3
97.06519	25.8
97.10175	2.9
98.01781	2.2
98.20933	2.8
98.21465	2.5
98.98450	64.0
103.05437	2.8
105.07021	67.4
107.04910	3.6
107.08578	41.9
109.06498	13.2
109.10130	29.7
111.08060	2.6
115.05395	4.8
116.99454	3.4
117.07000	17.3
118.65925	2.3
119.08569	74.9
121.06480	19.7
121.10130	40.6
123.08050	18.0
123.11713	11.3
128.06210	5.1
129.06973	8.5
130.07756	7.0
131.08539	29.5
133.06456	3.7
133.10114	53.6
135.08031	12.2
135.11688	14.5
137.09586	6.3
141.06931	4.1
142.07736	7.3
143.08540	23.5
144.09302	4.4
145.10097	44.8
146.07074	2.2
147.07999	3.9
147.11670	17.1
149.09592	7.8
149.13199	4.3
152.06085	2.6
153.07091	2.2
155.08501	9.1
156.09297	10.2
157.10112	39.2
158.10883	4.1
159.08012	5.9
159.11658	54.6
161.09616	20.0
161.13226	5.4
163.11133	4.3
167.08543	2.9
168.09410	3.0
169.10126	14.7
170.10919	3.8
171.11638	17.4
172.12332	2.4
173.09552	4.1
173.13181	19.4
174.99219	10.4
175.11099	3.0
175.14806	22.6
179.08502	3.3
181.10149	5.2
182.10931	2.9
183.11676	12.3
184.12398	2.7
185.13193	11.3
187.11189	11.2
187.14806	16.7
189.16341	5.9
193.10014	4.6
194.10881	3.1
195.11699	4.1
196.12357	3.0
197.13213	14.0
199.14842	12.4
201.16328	6.9
205.10043	2.4
205.15758	3.7
207.11630	5.4
209.13211	9.4
211.14816	10.2
213.16345	7.6
215.14218	4.2
217.15881	7.7
221.13213	4.6
223.14690	3.0
225.16348	6.6
227.14258	4.0
229.15816	6.3
235.14693	7.1
239.17914	4.8
253.15761	5.0
253.19649	2.4
265.19208	2.9
265.25812	2.1
271.20609	2.3
291.20993	5.1
309.22092	11.9
310.31039	5.3
327.07684	7.1
327.23087	22.9
327.33710	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01859	1.0
55.05511	0.4
57.03433	1.8
58.99575	0.7
59.54508	0.3
60.14579	0.4
61.02922	3.4
67.05482	0.6
68.09772	0.4
69.03416	7.7
69.07044	0.4
69.42319	0.8
69.42726	2.4
70.06582	1.1
71.04971	1.2
72.08150	0.7
73.02908	1.2
75.76534	0.4
75.89073	0.4
79.05482	0.9
81.03410	3.0
81.07021	0.5
83.01324	0.4
84.27737	0.3
85.02892	20.6
86.09702	0.6
87.04449	1.1
91.03931	1.1
91.05486	0.7
93.07057	0.5
95.04919	0.4
95.08616	0.5
97.02875	6.9
97.61283	0.4
98.98450	100.0
99.04442	1.5
103.05458	1.1
104.04984	0.4
104.05766	0.5
105.00058	0.4
105.07029	2.2
106.07307	0.4
107.04935	0.7
108.05212	0.4
109.02851	1.9
112.07597	0.4
116.98733	0.6
116.99497	5.4
117.07106	0.4
119.08595	0.4
120.08067	0.6
121.06466	0.5
121.10139	0.4
127.03878	4.6
131.04932	0.9
133.06464	1.4
133.10065	0.4
134.06801	0.5
135.08003	0.5
137.05946	4.3
138.06300	2.2
140.01062	1.1
145.04948	3.2
146.06915	0.4
147.04385	0.9
148.02132	59.8
148.07515	2.3
149.02509	1.2
151.03812	0.6
151.07518	0.7
163.07532	1.2
164.07863	1.5
166.03197	87.8
166.08546	0.8
167.03603	2.0
174.97668	0.6
174.99190	12.8
175.99597	1.0
176.98897	4.7
189.04823	1.8
190.08716	0.5
196.13397	0.7
204.96930	0.3
219.08197	0.4
235.07236	0.4
250.99834	0.9
252.99661	2.2
278.08527	0.4
283.09500	1.0
298.10727	1.0
312.12274	2.9
312.76254	0.4
313.13083	2.4
328.08716	3.2
328.15530	7.3
329.02869	0.8
329.10419	0.4
329.13968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32280	0.7
56.19715	0.8
57.03424	2.7
59.04992	43.1
61.02906	0.9
69.03418	2.9
69.94340	1.1
69.94759	2.7
70.06583	1.0
70.60889	0.6
73.06545	100.0
74.06876	1.3
75.19947	0.7
76.86021	0.6
81.03394	1.2
85.02887	8.7
86.09698	0.8
92.11008	0.7
97.02882	2.3
98.98453	83.6
99.04458	0.8
100.98901	0.8
102.76373	0.7
105.45059	0.6
109.02848	0.9
116.98714	0.9
116.99500	2.7
117.09099	11.7
120.08124	1.4
123.04425	2.2
127.03925	1.9
131.10661	11.1
135.04404	0.7
139.03882	1.1
145.04950	1.5
146.46230	0.8
147.04425	0.9
148.04840	1.1
149.11710	74.5
150.12068	1.3
162.12875	0.7
162.15663	0.7
163.03918	1.9
166.08678	1.2
167.06830	0.7
174.99217	8.1
176.98952	3.2
178.05019	0.9
225.84010	0.7
231.33624	0.7
242.87453	0.8
252.99748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.6
55.05503	47.1
56.98518	1.2
57.03431	1.5
59.04982	1.5
67.05495	16.8
69.03404	5.6
69.07059	34.5
70.89969	3.5
79.05479	25.7
81.07046	18.6
83.04951	4.6
83.08134	2.5
83.08606	32.4
85.06555	1.7
91.05471	10.6
93.07028	11.5
94.37612	1.4
95.04932	2.6
95.08603	10.6
97.06445	2.8
97.10159	73.5
98.28439	1.3
98.98450	22.6
101.09621	1.4
105.07012	14.4
107.04934	2.3
107.08581	77.2
109.06473	2.2
109.10123	4.0
111.08070	2.0
117.07010	3.4
119.08577	9.3
121.10123	2.6
123.11698	1.2
124.11183	1.7
125.09611	64.2
131.08546	4.0
133.10109	10.9
134.20270	1.2
135.08006	5.2
135.11716	3.0
143.10638	4.5
145.10091	5.2
147.11650	5.9
149.09595	9.2
153.09082	5.5
159.11710	4.4
161.09592	1.8
161.13188	3.1
163.11131	4.4
171.10121	6.4
171.11575	2.8
173.13208	1.3
179.14227	4.4
181.12244	3.8
183.11650	1.8
189.11191	100.0
197.13124	1.7
229.19441	2.4
239.17932	4.6
257.19034	13.0
275.20029	98.6
276.20343	2.6
293.21027	11.8
351.27112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05501	14.1
56.10625	2.2
57.03440	3.2
58.75703	1.8
65.38786	2.1
67.05495	34.6
69.03416	4.0
69.07064	12.2
70.31621	5.4
70.32030	4.3
71.04977	3.5
78.07640	2.1
79.05486	27.0
81.03418	4.8
81.07053	32.4
81.33390	2.1
83.04967	4.3
83.08602	9.0
91.05470	28.2
93.07035	51.2
95.04967	10.3
95.08590	20.2
97.06499	5.6
97.10135	6.0
98.98455	100.0
105.07024	24.1
107.08589	21.2
109.06477	2.4
109.10148	11.1
111.08016	3.0
113.35364	2.2
116.79316	2.1
116.99483	2.9
117.06974	7.4
119.08565	14.3
121.10162	11.3
123.08084	3.8
123.11669	4.9
125.09591	6.1
129.06915	2.1
131.08537	10.0
133.10107	16.3
135.11664	9.7
137.09599	6.0
143.08508	2.5
145.10095	7.3
147.11705	10.4
149.09631	3.9
149.13216	3.4
154.70215	2.1
157.10020	3.3
159.11688	6.8
163.11156	3.9
173.11731	5.8
174.99193	9.7
176.98882	3.7
181.12263	7.3
189.11192	4.7
195.13799	4.2
235.16856	8.5
257.18948	2.3
275.20090	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	329.2681
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.01862	1.2
55.05255	0.9
55.05507	14.9
56.96556	1.6
57.03430	6.4
57.07072	7.5
67.05494	6.7
69.03409	0.8
69.07063	17.9
69.30801	5.9
69.31210	0.8
70.00100	0.6
71.04994	1.3
71.08625	4.4
73.06560	0.8
74.86356	0.5
78.45007	0.7
79.05492	4.9
79.97289	0.6
81.07048	12.3
82.07381	0.6
83.04986	1.9
83.08609	13.0
85.06551	1.1
85.10169	2.7
91.05480	2.6
91.39175	0.6
93.07038	6.5
95.04927	1.3
95.08593	7.9
97.06505	3.3
97.10162	7.5
98.20739	0.9
98.98457	100.0
104.09796	0.5
105.07046	1.8
107.04957	0.7
107.08586	5.9
109.06509	1.0
109.10172	3.3
111.08085	2.5
111.11731	1.2
115.07615	0.7
116.98757	0.6
116.99501	3.7
117.07036	0.7
119.08581	1.6
121.10126	5.3
123.08057	0.7
123.11703	2.4
125.09644	3.6
125.13280	0.9
131.08583	1.4
135.08044	0.9
135.11687	4.0
137.13268	0.8
139.11148	2.4
140.01067	1.8
145.10114	0.7
146.99757	0.6
149.09616	1.1
149.13287	2.6
153.12717	1.9
159.11716	1.0
163.14856	1.7
174.99216	11.8
176.98915	5.2
181.15927	0.8
186.53267	0.6
187.14795	0.8
219.20999	3.2
237.22183	3.2
251.00197	1.1
252.99756	2.0
259.12161	1.4
273.18616	1.1
275.20142	1.2
276.20218	1.1
291.19690	0.9
293.21124	0.7
294.21490	0.9
311.25769	3.6
329.26895	32.6
330.27274	1.0
349.16998	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01848	1.1
55.05507	7.5
55.27119	0.3
56.96555	1.1
57.03430	3.6
57.06807	0.3
57.07066	3.2
57.33795	0.3
63.77349	0.3
67.05163	0.5
67.05495	5.9
69.03412	0.9
69.07061	10.0
69.96353	1.6
71.04974	0.6
71.08611	1.9
77.01598	0.4
79.05480	5.6
81.03393	0.8
81.06570	0.7
81.07046	11.1
82.07388	0.5
83.04980	1.6
83.08138	0.4
83.08609	6.4
85.06530	0.6
85.10155	1.0
87.04459	0.5
88.15940	0.3
91.05465	4.1
92.05819	0.5
93.07030	6.0
95.04964	3.1
95.08592	5.8
96.05270	0.3
97.06507	1.6
97.10152	4.3
98.98450	100.0
100.98873	0.8
101.06036	0.6
105.07018	3.4
107.04955	1.2
107.08586	4.3
109.06516	1.3
109.10129	3.2
110.92899	0.3
111.04436	0.5
111.08077	1.3
111.11705	0.6
116.99496	5.7
117.06979	2.1
119.04963	0.5
119.08572	4.5
120.08923	0.3
121.06480	1.2
121.10132	3.8
123.08041	2.3
123.11703	0.9
125.09630	2.3
129.07007	1.0
131.08566	2.9
133.06465	0.4
133.10130	1.6
135.08075	1.3
135.11653	2.2
137.09615	0.4
137.13274	0.7
139.11188	1.0
140.01033	3.4
143.08530	1.5
145.10081	3.2
147.08006	1.9
147.11690	0.9
149.09647	0.9
149.13272	1.4
153.12767	0.9
155.08626	0.5
157.10165	0.9
159.11703	1.2
161.09641	1.4
161.13280	1.1
163.11215	0.8
163.14847	0.8
167.14398	0.6
169.10135	0.5
171.11661	0.8
173.13307	0.7
174.99196	10.6
175.00616	0.7
175.11198	0.5
175.14845	0.4
176.98889	4.7
177.16393	0.4
181.15860	0.4
185.13298	0.5
187.14761	0.3
189.11230	0.7
189.12840	0.4
201.12856	0.4
219.21062	1.5
223.13347	0.5
224.36201	0.3
227.18013	0.5
231.13693	0.4
237.22159	1.7
249.14978	0.5
251.00104	1.1
252.99586	1.9
255.17436	0.7
258.08157	0.3
270.28217	0.3
273.18417	4.3
274.18781	0.8
275.19739	0.5
276.20587	0.4
291.19516	12.2
292.19971	1.2
293.20288	0.6
311.16068	1.3
311.20288	0.3
311.26181	0.9
329.17447	1.5
329.27029	10.8
330.30362	0.7
347.15274	0.5
349.17236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
56.96561	0.9
57.03414	0.7
58.99577	3.9
61.01143	1.5
61.02934	0.6
62.01401	0.4
69.03416	0.9
70.02076	2.3
70.06578	0.7
73.02916	0.5
76.02200	0.6
84.04504	0.5
85.02902	1.7
86.99054	2.7
88.02209	100.0
89.02554	0.6
91.05477	0.9
97.02904	0.8
98.98457	63.5
99.98851	0.5
100.98878	1.2
105.00078	1.8
107.04949	0.6
114.30794	0.4
115.78973	0.4
116.98711	0.7
116.99459	3.1
119.04916	1.1
123.04425	2.9
127.03931	1.3
129.67484	0.4
133.02844	1.8
134.02699	75.4
135.04425	1.1
137.05956	1.3
139.03888	2.7
140.01135	0.9
147.04382	3.7
150.05533	0.8
151.04013	0.7
152.07005	0.6
163.03879	2.2
164.04250	0.9
165.05458	2.6
167.07024	6.1
168.06520	0.9
174.99210	3.8
175.99524	1.1
176.98915	5.4
184.00505	0.4
189.05428	0.5
190.08528	0.5
197.01176	0.7
197.08080	6.6
213.05702	0.5
223.04263	0.9
237.00696	0.6
237.02748	0.7
242.03214	0.5
247.05943	1.3
251.03868	1.0
252.99649	1.2
254.00002	0.5
331.13724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28015	1.3
53.03941	1.6
55.01855	2.9
55.05505	9.2
56.96558	2.4
57.03424	6.7
57.07071	9.6
58.06581	3.3
62.39320	0.9
67.05162	1.5
67.05499	23.1
69.03410	3.4
69.07069	11.4
69.55730	7.0
70.01955	0.9
70.06580	2.9
71.04978	1.9
71.08638	6.1
72.08147	10.1
79.05480	10.9
81.07051	22.0
83.04969	7.2
83.08605	7.0
85.06514	2.4
87.04461	6.3
88.07607	4.3
91.05461	9.1
93.07034	21.8
95.04942	4.7
95.08598	15.8
97.06513	6.4
97.10145	3.8
98.20811	2.6
98.21456	1.6
98.98455	100.0
99.08060	1.8
100.11243	1.2
100.98870	1.8
101.06024	11.1
102.09153	1.7
105.07017	6.4
107.08576	10.8
109.06494	1.8
109.10144	5.2
111.08046	2.8
116.99505	6.7
117.07007	3.6
119.08572	5.4
120.08899	1.4
121.06487	1.8
121.10113	7.1
123.08049	1.2
123.11698	1.3
125.09592	2.8
129.06938	1.5
131.08545	5.1
133.10110	6.5
135.07988	1.4
135.11684	6.7
139.03876	3.0
139.11128	8.7
140.01086	2.4
143.08583	1.6
147.11598	5.1
149.09596	1.5
149.13252	9.1
151.11150	2.0
156.17453	8.7
157.10127	2.4
159.11668	5.1
161.07455	1.0
161.13231	1.9
165.12733	1.0
170.19034	2.1
170.74477	1.1
171.11761	1.6
174.99223	7.2
175.11208	1.0
176.98883	8.4
177.12793	2.8
185.13228	1.3
189.11153	3.0
189.87698	1.2
193.12137	2.4
195.13789	17.5
207.13828	1.4
241.19579	1.0
249.22057	1.9
252.99776	2.7
256.26303	4.4
268.29950	20.9
270.27725	1.5
277.21664	14.2
295.22705	10.2
330.29929	21.7
330.33618	75.4
331.18878	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47904	1.8
53.03929	4.1
55.01860	8.0
55.05254	2.9
55.05506	44.5
56.05025	3.7
56.96556	2.7
57.03428	9.0
57.07073	23.4
59.80969	1.5
67.05498	55.4
69.03420	5.1
69.07061	32.0
71.04973	6.2
71.08622	27.6
71.61954	3.0
72.08166	2.7
73.06563	1.6
74.06053	3.8
79.05482	44.5
80.05846	2.5
81.03411	4.8
81.07050	76.7
82.07367	2.8
83.04977	22.2
83.08607	25.6
84.04496	68.1
85.02863	2.0
85.06503	4.1
85.10173	7.7
87.04459	9.4
88.07620	2.6
91.05473	30.8
93.07037	62.1
94.07399	2.7
95.04977	10.7
95.08591	47.7
97.06509	13.2
97.10164	18.9
98.98457	100.0
99.08079	16.1
99.53759	1.9
100.11247	6.2
100.98910	4.8
101.06036	3.5
102.05534	27.9
105.07017	23.5
107.08593	24.6
108.08931	2.6
109.06516	5.5
109.10120	15.4
111.08070	5.8
113.09672	1.9
116.99496	5.3
117.07004	9.7
119.08566	14.0
120.06570	3.7
120.08883	3.6
121.06500	3.8
121.10128	18.2
123.08086	3.2
123.11716	4.1
125.09599	12.7
129.06953	3.0
130.04991	70.3
131.08585	9.7
132.08884	2.8
133.10107	23.2
135.08063	3.3
135.11707	15.1
137.09599	3.6
139.11168	29.9
143.08539	2.7
145.10120	4.8
147.08055	3.7
147.11661	8.4
148.06039	72.1
149.13248	15.8
151.11118	11.7
155.10651	1.9
157.10106	4.7
158.10394	1.8
159.10469	2.2
159.11639	10.5
161.13229	11.5
163.11143	6.7
165.12759	3.5
166.80756	1.8
173.13191	4.0
174.99219	4.9
175.11171	4.9
175.14815	4.3
176.50829	1.8
176.98892	3.6
177.12738	7.2
179.14304	6.4
183.17413	3.3
185.13251	2.0
187.76163	1.8
189.11212	19.0
189.12747	2.8
193.12230	6.0
195.13783	37.7
213.14728	2.9
221.15318	3.1
231.21043	2.4
241.19447	2.8
249.22118	2.7
259.20566	5.6
265.21518	2.5
270.27942	2.8
274.18726	7.1
277.21613	51.9
278.21875	2.3
292.19846	13.6
295.22650	24.4
312.16397	1.8
321.15683	1.8
330.22687	3.0
330.29910	14.5
330.33691	14.6
331.18692	20.5
349.16806	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3361
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07068	6.7
58.06588	0.4
62.06070	0.3
64.67675	0.2
68.98638	0.2
69.07039	0.3
69.60284	0.2
69.99576	0.6
69.99986	0.7
70.06586	9.3
71.08622	2.7
81.07070	0.4
85.10182	1.4
88.07620	12.4
89.23306	0.3
95.08565	0.3
98.17400	0.2
98.21155	0.5
98.98456	4.3
102.09166	3.6
106.08655	8.3
109.10168	0.2
156.84334	0.3
176.98856	0.4
239.23744	0.3
268.29999	0.5
286.31046	0.7
298.20099	0.3
312.32559	5.5
313.27429	0.3
330.33615	100.0
331.33957	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1019
Annotation	32142-31-7
Peak:m/z	Relative Intensity
51.23598	0.2
56.05042	0.3
61.02912	0.4
67.01851	0.5
68.99780	0.6
69.03419	0.6
69.79650	0.2
71.13038	0.3
72.08160	0.3
81.07040	0.4
83.06093	0.5
84.04486	0.4
84.08149	0.3
85.02895	2.2
90.02505	0.2
91.05470	0.4
95.01302	0.3
95.04960	0.8
97.02872	0.7
98.21326	0.2
98.98458	16.7
100.98857	0.3
105.07012	0.4
109.02867	0.4
112.37912	0.2
116.99490	0.6
119.04987	0.3
121.06461	0.3
123.00772	2.2
123.04421	7.3
124.07553	0.3
127.03903	3.0
129.06996	0.3
135.04417	0.4
137.05974	0.9
141.01799	0.8
145.04985	0.5
151.03893	14.5
151.07550	0.8
161.05989	0.3
163.03926	0.9
163.07568	0.4
165.05528	0.3
167.04950	0.2
169.01462	2.3
169.04948	100.0
170.05276	1.9
174.99225	1.0
176.98911	1.6
183.04391	0.3
185.05925	0.5
185.46889	0.3
189.09081	0.3
190.05003	0.3
195.04385	0.2
200.90692	0.2
201.91734	0.2
211.03932	0.5
213.05449	1.4
229.04884	0.3
238.40306	0.2
239.03397	0.4
239.07486	0.2
241.04912	0.4
241.13901	0.2
252.99828	0.4
253.12292	0.2
257.04456	0.5
267.02863	0.3
267.07669	0.3
285.03952	2.4
285.07217	0.2
285.08560	0.4
287.05548	0.9
287.12708	0.5
295.02402	0.4
301.10788	0.3
331.04498	1.9
331.12149	1.1
331.17151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
52.17583	0.8
55.01868	2.5
55.05497	1.4
58.64739	0.8
65.03925	3.7
67.05491	2.3
69.03442	1.5
69.07047	1.1
70.91215	2.2
72.08109	1.0
73.01064	0.9
75.67899	0.8
79.05485	2.2
81.03415	1.1
81.07048	1.9
83.06091	2.5
85.02884	1.7
91.05442	5.2
93.03416	1.6
93.07030	2.0
95.04972	2.5
95.08582	2.1
96.02125	2.2
97.02874	1.3
98.98452	100.0
100.98899	2.4
102.14008	1.0
103.05459	1.9
105.07033	1.9
106.68525	0.8
107.01286	1.6
107.04947	2.0
107.08609	1.7
109.02893	1.8
109.06467	1.1
111.04426	11.5
115.05463	2.8
116.99489	4.8
117.07027	2.5
119.04955	2.5
119.08584	2.2
121.06519	2.2
121.10141	1.2
123.04451	2.5
125.06010	1.1
129.06995	2.6
131.04938	1.6
132.05714	1.0
133.06465	1.2
133.10149	1.0
135.08110	1.6
135.11658	0.9
137.05968	9.3
139.03877	7.3
141.06975	4.9
143.08557	1.7
145.06477	4.1
146.07227	1.0
147.04428	2.7
147.08032	1.2
149.05972	2.3
151.03931	2.5
151.07504	8.3
152.06133	1.9
153.05505	2.5
153.07008	4.9
154.07793	1.8
155.04921	1.1
155.06042	1.2
155.08551	2.4
157.06511	3.2
158.07274	2.0
159.04439	1.0
161.06024	4.0
163.07587	2.5
165.05614	1.5
165.07053	5.4
167.03384	4.7
167.07082	1.9
167.08563	2.6
168.05663	4.7
169.06358	4.3
169.10178	1.3
171.04427	1.6
171.08058	2.4
172.05199	1.0
173.06042	3.1
174.06792	1.5
174.99234	4.2
175.07483	2.0
176.98863	9.7
177.05440	1.1
178.07721	5.0
179.08519	9.1
181.06442	7.4
182.07300	2.5
183.08051	5.4
184.05263	2.8
185.05940	9.9
186.06718	4.7
187.03839	1.0
189.07274	1.0
189.09032	2.2
195.05672	1.7
195.08101	3.6
196.05147	5.3
196.08931	1.9
197.05901	10.8
197.09534	5.8
198.06743	3.4
199.03920	1.6
199.07590	3.8
201.05463	1.1
206.07339	1.4
207.08003	8.5
208.05133	0.9
208.08694	1.1
209.05943	4.2
210.06798	3.6
211.07471	9.8
211.11150	1.4
212.04730	2.8
212.08258	1.6
213.05415	2.2
213.09138	1.2
214.06190	5.7
221.09674	2.0
223.07562	2.9
224.04854	2.1
224.08295	7.7
225.05458	14.4
225.09007	14.9
226.06134	7.0
227.06963	13.1
227.10628	1.8
228.07767	1.3
229.04761	7.3
229.08417	1.6
235.07565	5.9
237.05455	1.7
238.06284	2.6
239.06825	7.5
239.10522	4.5
241.05025	3.4
241.08633	1.8
242.05730	8.7
242.09442	1.6
243.06381	1.5
244.07233	1.8
249.09103	1.8
252.04303	2.2
252.07959	2.9
253.05119	4.0
253.08559	29.3
254.05814	8.3
254.09102	2.0
254.99411	1.1
255.06448	19.4
255.10190	2.1
256.07315	2.2
257.04672	1.1
257.08231	4.0
257.11847	3.6
263.07104	1.3
267.06729	2.7
267.10223	5.7
269.08051	2.0
270.05292	3.3
270.08905	7.0
271.07047	2.2
271.09741	5.2
272.06796	5.9
281.08069	17.0
281.10892	1.5
282.08862	2.9
285.07672	65.4
285.11258	16.7
286.07944	3.0
286.11459	1.4
287.12878	3.4
295.09750	2.3
298.73264	1.0
299.09097	26.5
299.12384	1.8
300.09753	1.5
313.10779	45.0
314.11163	1.7
316.09274	3.1
331.04413	3.1
331.11832	55.5
331.15173	3.9
332.12109	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	331.1172
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01855	1.1
56.96547	0.9
65.03942	2.0
67.05486	2.2
69.03427	0.9
69.07056	1.5
70.85902	2.3
71.08600	0.8
79.05475	1.6
81.03401	0.8
81.07031	2.6
83.04974	1.3
83.06072	1.3
85.02889	1.8
86.09676	1.0
88.21482	0.7
91.05469	5.8
93.03422	1.1
93.07035	1.6
95.04948	2.4
95.08584	2.1
96.02103	0.8
98.98454	100.0
100.98875	2.5
105.07014	2.1
107.04923	2.6
107.08593	1.4
109.02850	2.1
109.10129	1.4
111.04423	6.5
115.05489	1.1
116.99498	5.5
117.07001	1.8
119.04922	2.0
119.08554	1.2
121.02847	1.8
121.06486	1.8
121.10114	0.9
122.03633	0.8
123.04383	1.8
123.08011	0.9
127.03850	0.9
128.06206	1.3
129.06961	2.8
131.04904	2.1
131.08557	1.3
132.05710	0.7
133.10080	1.1
135.04402	1.0
135.08069	0.9
137.05957	9.9
139.03929	4.4
140.01065	1.3
141.06972	2.0
143.04916	1.1
143.08556	1.4
145.06485	3.8
145.10045	0.9
147.04401	1.6
147.07993	1.4
147.11636	0.7
149.05936	2.3
151.03949	1.0
151.07535	9.8
152.06143	1.2
153.01823	1.5
153.05446	1.0
153.06952	2.2
154.07614	0.9
155.08565	1.1
157.05185	0.8
157.06458	2.5
158.07249	0.9
161.05925	4.3
163.07507	3.2
165.05585	1.3
165.06989	3.5
167.03397	2.4
167.07092	0.9
167.08524	2.2
168.05646	1.4
169.06424	4.6
169.10112	0.9
171.04509	1.4
171.08043	2.5
173.05989	1.4
174.06689	1.0
174.99194	4.8
175.07536	1.9
176.98914	9.3
178.07787	2.5
179.08556	3.6
181.06470	3.8
182.07278	2.3
183.08009	2.8
183.28816	0.8
185.05994	5.1
186.06691	3.3
187.07523	0.9
189.09102	3.5
193.06491	1.7
193.10051	1.1
195.08047	3.2
196.05197	2.3
197.05936	6.7
197.09608	3.9
198.06549	1.2
199.03905	0.9
199.07474	1.5
206.07103	0.8
207.08043	4.6
207.09975	1.6
209.05891	3.2
210.06735	3.0
211.07446	4.0
211.11147	0.9
212.04666	1.8
213.05382	2.0
213.09088	1.1
214.06284	2.8
221.05959	1.0
221.09554	2.0
223.07506	2.7
224.04730	1.0
224.08234	4.6
225.05457	8.0
225.09018	8.8
226.06155	3.4
227.07007	8.2
227.10689	3.3
229.04955	5.8
229.08568	1.0
235.07573	2.8
237.08960	0.9
238.06129	1.8
239.07002	5.2
239.10655	2.6
240.07672	1.0
241.04854	2.1
241.08583	1.7
242.05606	4.9
249.08968	1.9
252.04117	0.9
252.07846	1.9
252.99742	1.2
253.05042	1.8
253.08569	14.9
253.12329	1.8
254.05746	4.3
255.06505	11.5
255.10097	2.6
256.07098	1.4
257.04492	1.1
257.08142	2.4
257.11716	1.8
263.06836	0.9
267.06522	1.4
267.10220	2.7
269.08023	1.3
270.05212	2.2
270.08826	2.7
271.05835	0.9
271.09576	4.3
272.06781	2.8
281.08081	9.0
282.08762	2.1
285.07550	35.5
285.11182	11.4
286.07874	2.5
287.12714	6.1
295.09650	0.9
299.09094	14.7
313.07297	1.4
313.10739	24.8
313.14212	2.2
314.11090	1.1
315.04922	1.9
316.09018	1.5
331.04373	1.5
331.08121	4.3
331.11722	33.7
331.15167	2.7
332.12149	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1284
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01867	2.4
55.05480	0.3
65.03938	0.4
67.05473	0.8
69.07053	0.4
70.86585	0.8
70.86959	0.7
71.04992	0.7
72.08128	1.3
78.31582	0.4
79.05465	0.8
81.07029	1.1
82.06619	0.5
83.06130	0.4
85.02874	0.4
85.18873	0.4
91.05463	2.4
93.07005	0.6
94.06559	2.1
94.45290	0.3
95.04937	1.1
95.08605	0.5
96.87972	0.5
98.98449	20.3
100.98853	0.5
101.15182	0.3
102.05475	0.4
103.05456	0.5
105.07000	1.2
106.06519	1.5
107.04916	0.7
107.08546	0.5
108.04466	2.9
108.08086	0.5
109.06527	0.6
109.10145	0.4
110.06015	1.3
113.05998	0.5
116.99476	1.2
119.04935	1.9
120.04485	0.4
120.08091	0.7
121.06461	0.9
122.03667	0.7
122.06012	2.8
123.08044	0.5
124.07577	0.5
128.06203	0.7
129.06972	1.5
131.04955	0.9
131.08508	0.4
131.91489	0.4
133.07524	0.6
133.10136	0.5
134.05994	1.7
135.08041	0.6
136.03902	1.8
136.05009	0.5
136.07532	0.4
137.04988	0.6
137.05963	7.7
137.55328	0.4
140.07011	0.6
144.08104	0.7
148.07544	1.0
149.05960	1.2
150.05455	1.0
151.03748	0.5
151.07513	8.2
152.07053	0.5
153.06943	0.4
156.08055	0.6
157.06456	1.6
157.08696	0.5
158.09680	1.1
159.09174	0.5
160.07481	0.4
161.05910	1.2
161.07104	1.3
161.09636	0.6
162.05489	6.3
163.06296	0.8
163.07512	2.0
164.06981	1.9
165.06950	1.2
165.09099	0.5
167.08543	1.5
167.86627	0.5
168.06519	1.2
169.07570	0.5
170.08197	1.1
170.09686	1.0
172.11212	0.5
173.10716	1.3
174.06755	0.7
174.99136	1.4
175.07431	0.5
175.08792	0.4
176.06963	2.0
176.98882	2.3
177.09085	0.4
179.08568	0.4
183.09164	0.9
184.07622	0.7
184.11244	1.1
186.07852	1.4
187.08748	2.0
187.12328	1.5
189.06569	7.0
189.09070	3.2
193.06421	0.7
193.10159	0.6
194.08054	1.1
194.09653	0.6
195.08063	2.4
197.05936	0.8
197.10843	0.6
198.09135	1.9
199.08566	0.9
200.09204	0.8
200.10880	0.7
201.10207	5.3
202.10895	0.7
203.08185	2.6
203.11768	0.4
209.05919	0.5
210.06668	0.6
211.08669	1.0
212.06924	0.4
212.10643	1.6
213.10152	2.4
214.07204	1.0
215.08145	9.5
215.11699	4.7
218.61891	0.4
221.05960	1.4
221.09612	1.1
223.07523	1.1
225.09029	0.7
225.10040	0.6
226.08652	0.8
227.08307	0.8
227.10646	2.5
228.08864	1.4
229.06184	0.6
229.09709	12.2
229.13094	1.8
230.10068	0.5
231.11319	0.6
238.06274	0.6
239.08052	1.0
239.11725	2.2
240.07927	0.5
240.10155	1.1
241.09819	1.8
242.10516	0.9
243.07652	2.4
243.11298	5.7
247.14481	0.6
249.09163	0.7
252.08685	0.6
253.08638	1.4
253.12222	1.1
254.10431	0.9
255.09979	2.3
257.09161	9.1
257.12802	5.1
259.10632	1.1
267.11292	3.6
268.09592	0.8
269.08813	0.5
269.12558	0.4
271.10776	5.1
272.10608	0.5
275.13803	2.9
278.24451	0.4
281.11743	0.4
285.12329	10.1
287.12744	5.3
295.10687	3.8
295.27197	0.6
303.13498	3.0
313.03625	0.5
313.11655	14.5
313.28320	0.7
314.12006	0.6
331.12811	100.0
332.13193	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	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.02361	1.1
55.01862	1.6
65.03938	1.6
71.59924	2.1
71.60256	1.2
79.05463	3.0
81.07054	2.0
91.05472	29.7
93.07055	1.0
94.04183	2.5
95.04957	5.0
98.98454	22.4
103.05460	4.7
105.07019	4.3
107.04958	8.9
109.06490	4.3
111.04388	1.6
115.05463	2.7
117.07005	2.0
119.04935	17.6
121.06467	6.7
122.03645	6.9
123.08005	1.2
123.35962	1.2
124.07565	1.2
128.06245	3.4
129.06982	14.5
131.04900	7.0
131.08539	1.5
133.06409	2.3
135.04398	1.8
135.08054	5.9
136.05191	3.6
137.05965	75.4
138.06258	1.5
141.06966	1.4
143.04837	1.3
145.06464	3.8
146.07253	1.7
147.08014	1.6
149.05962	12.4
150.06667	1.1
151.03932	3.1
151.07524	100.0
152.06177	4.2
152.07938	1.7
153.06998	1.8
157.06456	13.0
161.05951	15.9
161.09619	4.7
163.07513	22.4
165.07005	9.3
165.09081	5.1
166.07764	3.3
167.07188	2.1
167.08557	17.0
168.92871	1.1
169.06471	2.4
169.09978	1.4
171.26553	1.0
174.06767	8.5
174.99164	1.2
175.07515	3.8
176.98882	2.4
177.06961	2.7
177.09111	2.5
178.07755	7.5
179.08508	2.6
181.06490	4.7
181.08685	1.1
181.10199	1.5
182.07256	3.4
189.07356	1.8
189.09088	34.8
191.08492	1.9
192.09306	1.7
193.06474	6.6
193.10165	7.4
194.07272	3.9
195.08028	24.0
196.08792	1.9
197.05980	5.0
197.09593	2.6
199.07474	1.2
202.07722	2.1
203.08618	1.6
206.07246	2.4
207.08182	2.4
207.10074	10.1
209.05984	3.1
209.09634	4.2
210.06699	9.2
211.07555	3.0
212.08299	3.3
219.07997	2.1
220.08748	1.3
221.05974	9.0
221.09535	11.2
223.07501	12.5
224.08293	4.7
225.05670	2.4
225.09039	10.4
227.07167	2.0
227.10637	28.4
229.08444	1.0
234.06827	1.2
237.05414	1.4
237.09070	3.4
238.06245	4.7
239.07010	2.9
239.10588	2.4
240.07858	3.4
241.08578	2.4
241.12314	2.2
249.09070	6.1
252.07831	2.5
253.08525	11.5
253.12189	17.2
255.10149	33.6
267.10095	5.3
269.08057	4.5
269.11758	2.3
270.08823	1.8
272.10507	3.4
281.11618	8.9
284.10336	1.3
285.11166	21.0
287.12750	60.3
288.13107	2.8
299.12674	1.5
301.14337	2.5
313.14331	15.5
331.15411	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26854	0.9
55.01858	1.2
67.44029	0.9
70.35588	0.9
70.69512	2.8
79.05487	3.7
81.07046	2.3
91.05470	26.4
93.07001	1.5
94.04186	3.3
95.04946	6.1
98.98453	27.9
103.05466	5.0
105.07021	4.5
107.04939	10.0
109.06525	3.7
109.77596	0.9
115.05441	2.6
116.99509	1.2
117.06981	1.8
119.04930	15.7
121.06490	7.2
122.03632	6.8
123.04453	1.0
123.08058	1.7
128.06218	3.1
129.07007	11.6
131.04900	6.4
131.08501	1.4
133.02882	1.6
133.06471	3.9
133.10178	1.1
135.04462	1.3
135.08035	7.9
136.05153	2.1
137.05962	68.1
141.06935	1.1
143.04895	1.7
144.05627	1.1
145.06497	2.3
146.03668	1.5
146.07260	0.9
147.04414	1.8
147.08040	1.1
148.05164	2.5
149.05974	15.0
150.06729	1.8
151.03879	3.2
151.07529	100.0
152.06201	2.9
152.07930	1.3
153.06926	1.5
157.06485	11.2
161.05965	19.3
161.09590	5.3
163.03871	1.0
163.07530	23.0
165.06987	9.3
165.09093	3.5
166.07719	2.0
167.08521	13.6
169.06464	1.8
171.72276	1.0
174.06758	7.5
174.99261	1.5
175.07527	3.7
176.08243	1.4
176.98883	2.1
177.07025	2.6
177.09100	2.9
178.07791	5.4
179.08452	1.2
181.06381	4.8
181.08583	2.0
181.09979	1.2
182.07314	2.5
184.08722	1.1
189.07355	1.9
189.09087	32.8
191.08595	1.1
192.09314	2.6
193.06529	5.2
193.08597	0.9
193.10095	7.5
194.07309	2.9
195.08047	23.6
196.08852	1.6
197.05969	5.3
197.09618	1.5
199.07538	1.4
203.08577	2.2
207.08165	1.8
207.10083	12.3
209.05936	2.7
209.09543	3.3
210.06787	8.8
211.07500	3.8
212.08315	3.4
213.09074	1.5
219.07971	1.0
220.08879	1.4
221.06013	8.6
221.09541	10.7
223.07541	10.4
224.08334	4.3
225.05484	1.9
225.09097	8.8
227.07010	2.7
227.10629	28.0
237.05450	1.4
237.09071	4.0
238.06258	4.5
238.09946	2.0
239.06953	2.2
239.10600	1.5
240.07820	4.1
241.12334	1.6
249.09175	4.8
252.07841	2.7
253.08582	13.5
253.12213	14.9
255.06265	1.3
255.10124	31.3
257.08109	1.1
259.13196	1.3
267.10226	6.3
269.08026	4.9
269.11670	2.2
270.08820	1.7
272.10367	3.1
281.11694	6.6
284.10336	1.5
285.11191	21.2
287.12756	55.7
298.12073	1.6
299.12775	2.4
301.14282	3.1
313.14301	17.2
331.04489	1.7
331.15469	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	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01866	2.0
57.69931	1.2
70.94611	2.8
79.05476	1.7
82.11474	1.2
91.05470	24.0
94.04162	3.1
95.04940	5.5
98.21400	1.2
98.98457	14.9
103.05437	2.2
104.87760	1.1
105.07010	4.5
107.04956	7.3
109.06496	5.5
111.04422	1.6
115.05443	1.7
116.61847	1.1
117.06980	1.6
119.04926	16.4
121.06501	7.2
122.03636	6.0
128.06192	2.7
129.06998	14.5
131.04913	6.2
131.08568	1.3
133.06448	2.3
135.04344	1.4
135.08043	4.5
136.05162	4.0
137.05965	68.3
138.06262	1.5
139.69148	1.1
145.06479	3.3
146.03635	2.1
147.04414	2.3
148.05194	1.4
148.19292	1.1
149.05981	13.2
151.03944	2.9
151.07527	100.0
152.06174	2.9
153.07016	1.9
153.26378	1.1
157.06473	11.4
161.05960	12.2
161.09610	2.8
163.07538	23.3
165.05711	1.6
165.06989	11.1
165.09093	5.2
166.07736	3.5
167.08559	14.2
174.06706	6.0
175.07533	4.4
177.09071	3.2
178.07777	4.3
179.08551	1.8
181.06480	5.6
181.10051	1.3
182.07266	3.6
183.08034	1.2
189.09096	35.8
193.04800	1.3
193.06393	8.1
193.10115	5.5
194.07234	3.2
195.08054	24.1
196.08829	2.1
197.05948	4.3
197.09584	2.4
202.07808	1.7
203.08514	2.7
205.06378	1.5
206.07304	2.1
207.08302	1.9
207.10133	9.7
209.06004	2.1
209.09590	3.7
210.06671	8.2
210.10350	1.2
211.07437	3.3
212.06297	1.5
212.08257	5.6
219.07968	2.0
221.06027	8.7
221.09552	13.2
222.06879	2.1
223.07480	10.0
224.08281	4.3
225.09087	8.5
227.07140	2.6
227.10652	31.8
229.08629	1.3
231.07864	1.3
237.09102	2.4
238.06192	4.6
238.09850	2.4
240.07719	4.9
241.08664	2.1
249.09067	4.1
253.08617	12.8
253.12202	16.2
254.09279	2.0
255.06360	1.6
255.07297	2.1
255.10135	31.4
256.10516	1.8
266.09540	1.5
267.10190	3.0
269.08032	4.5
269.11646	2.3
270.08710	1.9
272.10449	4.3
281.11646	5.4
284.10345	2.0
285.03961	1.7
285.11209	19.6
287.12747	53.2
301.14233	1.5
313.14307	18.7
331.11945	1.6
331.15213	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	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
51.54356	2.5
55.28802	1.9
55.59204	2.0
70.08904	8.6
70.09320	4.2
91.05475	24.8
95.04945	8.2
98.21301	4.0
98.98463	20.7
103.05446	5.1
105.06994	4.3
107.04947	6.2
109.06512	4.4
115.05390	3.6
119.04928	20.1
121.06497	7.1
122.03659	6.5
128.06223	2.6
129.07013	14.4
131.04906	4.5
133.06543	2.9
135.08028	5.5
136.05231	2.3
137.05962	73.6
145.06569	3.3
146.03671	2.3
149.05968	13.8
151.03888	2.8
151.07532	100.0
152.06203	3.0
157.06462	11.4
161.05968	17.3
163.07526	23.0
165.06918	10.3
165.09146	6.1
166.07738	3.2
167.08540	13.3
174.06770	5.2
175.07568	4.9
177.09172	3.7
178.07776	6.7
181.06477	6.6
182.07228	3.0
189.09071	31.2
192.09323	3.7
193.06485	9.1
193.10127	8.2
194.07243	4.8
195.08032	24.3
196.05162	2.8
196.08725	2.9
197.05994	4.2
205.06624	3.1
206.07300	2.3
207.10121	5.0
209.09648	2.6
210.06757	8.6
211.07368	3.8
212.08345	3.1
221.05949	8.9
221.09500	11.7
223.07541	9.0
224.08369	4.8
225.05472	2.8
225.09100	9.3
227.07082	2.9
227.10608	33.7
237.09024	2.8
238.06284	5.5
240.07782	2.8
241.08537	2.5
249.09129	4.8
252.07533	2.2
253.08620	15.9
253.12227	14.8
255.10123	31.7
267.10233	5.1
269.08163	4.9
281.11697	5.9
285.11197	19.6
287.12762	60.1
288.12912	2.5
299.12524	2.2
301.14307	3.7
313.14319	20.1
331.15366	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	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03927	0.7
55.01867	1.3
65.03939	0.9
67.05500	0.9
68.58470	0.6
71.63696	0.7
79.05499	3.3
81.07059	2.1
91.05476	27.2
93.07030	0.7
94.04198	2.3
95.04968	6.5
95.08604	1.6
98.98460	35.0
100.98927	0.7
103.05454	4.4
105.07034	3.4
107.04941	6.4
107.08604	0.9
109.06525	4.8
111.04454	2.2
115.05446	2.4
116.99480	1.0
117.06999	2.0
119.04939	18.4
119.08632	0.6
120.05733	0.7
121.06493	6.3
122.03632	5.3
123.04397	1.1
123.08044	0.7
125.06009	0.8
128.06221	3.5
129.06999	15.0
131.04930	5.0
131.08548	2.4
133.02850	1.0
133.06470	1.9
134.03622	0.7
135.04388	0.8
135.08046	4.8
136.05199	3.4
137.05968	81.5
138.06317	1.4
139.07561	0.9
141.06932	0.6
143.04930	1.7
144.05692	0.7
145.06482	3.9
146.03607	1.4
146.07222	0.9
147.04411	1.1
147.08014	1.5
148.00197	0.5
148.05147	1.3
149.05971	12.0
150.06711	1.1
151.04053	3.1
151.07532	100.0
152.06192	3.2
152.07834	1.8
153.06969	1.6
154.07759	0.7
154.13216	0.6
155.08492	0.5
157.06482	13.6
157.10147	0.6
158.07202	0.6
159.04407	0.7
159.08014	0.7
161.05980	14.7
161.09595	4.0
162.06789	1.3
163.03871	1.0
163.07538	19.2
164.08334	0.8
165.06998	11.2
165.09093	4.5
166.07758	2.2
167.07085	1.5
167.08534	15.5
169.05052	0.7
169.06458	2.6
173.06042	0.7
174.06729	6.2
174.99228	1.8
175.07512	4.8
176.98923	3.7
177.05513	0.8
177.06995	2.0
177.09067	3.2
178.07768	6.0
179.07121	0.7
179.08498	2.8
181.06517	5.1
181.08008	0.7
181.08501	0.5
181.10059	1.2
182.07275	3.8
183.08023	1.8
184.08786	0.9
184.17212	0.6
187.07552	0.8
189.09094	36.9
190.09416	1.3
191.08490	1.1
192.09274	1.6
193.06465	6.9
193.10106	7.0
194.07213	1.9
195.08051	24.9
196.08722	2.2
197.05946	5.2
197.09595	2.2
198.06703	0.8
199.07559	0.9
202.07744	1.3
203.08540	2.9
205.06447	1.1
206.07193	2.0
207.04427	0.9
207.06209	0.6
207.08009	1.5
207.10132	6.1
209.05960	2.3
209.09605	3.5
210.06726	9.1
211.07535	4.8
212.08337	3.7
213.05334	0.7
213.08940	1.3
219.08040	1.2
220.08800	1.8
220.44345	0.6
221.06024	8.6
221.09564	11.7
222.06592	1.2
223.07523	9.9
224.08302	3.7
225.05463	1.9
225.09071	9.4
227.07002	1.7
227.10634	29.9
228.10837	0.7
231.08012	1.2
234.06662	1.0
235.11153	0.9
237.05342	1.1
237.09059	2.9
238.06210	5.2
238.09911	1.7
239.06935	2.2
240.07793	3.9
241.08496	1.5
241.12215	1.9
249.09122	6.4
250.09521	0.6
251.07034	1.1
251.10376	0.7
252.07791	2.6
253.08540	14.5
253.12186	15.4
254.09138	1.4
254.12598	0.6
255.06573	2.0
255.10155	28.8
256.10550	1.1
257.08029	1.0
266.09116	1.1
267.10147	6.1
269.08011	4.2
269.11688	1.9
270.08752	1.7
271.09454	0.8
272.10355	3.5
281.11737	7.4
282.12173	0.7
284.10385	1.1
285.11197	19.3
286.11499	0.9
287.12759	55.2
288.13116	0.9
298.11911	0.8
299.12695	1.7
301.14310	2.9
313.14319	17.4
331.04611	3.6
331.07874	1.2
331.11636	5.4
331.15298	11.5
332.15619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01859	1.7
65.03938	1.7
67.05496	2.0
69.03413	1.4
70.08968	2.8
70.09367	1.6
78.09252	1.0
78.17114	0.9
79.05495	2.4
80.12142	1.0
81.03370	0.9
81.07046	3.3
83.04971	1.3
91.05470	25.9
93.07008	1.9
94.04188	2.2
95.04953	7.9
95.08587	1.6
98.21149	3.0
98.98457	63.9
100.98896	1.8
103.05469	4.8
105.07003	4.2
107.04946	6.2
107.08633	1.4
109.02882	2.3
109.06535	5.1
111.04452	2.3
115.05439	2.3
116.99494	3.6
117.06976	2.9
119.04928	16.2
119.08554	1.9
121.06504	5.8
122.03633	7.6
123.08027	1.7
128.06192	5.0
129.07002	13.3
131.04922	6.4
131.08566	2.1
133.06493	2.1
133.10182	1.4
135.04448	1.6
135.08029	4.5
136.05185	3.7
137.05963	80.7
138.06271	1.5
143.04929	2.1
145.06488	4.5
146.03653	1.4
147.04387	1.7
147.08005	1.7
148.05193	2.0
149.05968	12.7
151.03920	3.1
151.07529	100.0
152.06186	3.5
152.07857	1.3
153.06923	2.3
154.07816	1.4
157.06473	11.5
159.08031	1.9
161.05977	14.6
161.09647	3.1
163.03935	1.4
163.07541	23.3
165.06970	11.2
165.09096	3.8
166.07762	2.7
167.07187	1.2
167.08516	15.4
169.06477	2.9
174.06691	7.5
174.99187	3.5
175.07529	4.2
176.98929	6.1
177.07042	1.8
177.09071	2.4
178.07790	4.5
179.08510	2.4
181.06480	3.1
181.08698	1.9
181.10066	2.0
182.07281	4.4
183.08081	1.9
184.08913	1.6
187.07530	1.1
189.09088	35.5
191.08620	1.2
192.09361	1.4
193.06505	7.2
193.08456	1.7
193.10101	9.8
194.07213	1.8
195.08052	21.2
196.08759	1.3
197.05930	6.2
197.09576	2.1
199.07562	1.9
202.07832	1.2
203.08578	2.6
206.07309	1.3
207.08217	2.3
207.10156	6.4
209.05983	4.8
209.09590	3.3
210.06760	8.7
211.07498	4.5
212.08246	4.2
220.08765	1.6
221.05972	8.4
221.09537	10.8
223.07561	11.3
224.08327	4.0
225.05492	2.5
225.09062	8.0
227.07025	3.1
227.10632	29.3
227.12907	1.5
237.09067	4.6
238.06317	5.6
238.09778	1.7
239.06932	2.3
239.10590	1.6
240.07835	3.5
241.08609	2.3
241.12276	1.9
243.10121	1.0
249.09138	6.8
252.07773	1.7
253.08586	12.5
253.12230	18.1
254.09195	1.7
255.06410	1.9
255.10135	32.2
256.10629	1.9
266.09406	1.7
267.10141	6.8
269.08109	3.8
269.11780	2.3
270.08795	2.2
272.10361	3.3
281.11639	8.1
284.10355	1.7
285.11206	19.9
287.12741	58.1
288.13107	1.5
299.12701	1.1
301.14380	1.8
313.14270	18.0
331.11679	8.6
331.15311	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	331.1535
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01870	2.2
55.05503	1.1
58.76635	1.0
65.03944	1.0
67.05502	1.5
70.66240	3.1
79.05480	3.7
81.07044	3.7
83.04990	1.3
85.02906	2.4
91.05473	25.2
93.07031	2.3
94.04162	2.6
95.04964	7.4
95.08604	1.8
98.98454	51.9
100.98914	1.0
103.05491	4.6
105.07000	4.6
107.04934	6.8
107.08546	1.8
109.06486	5.6
109.10143	1.4
111.04442	2.2
111.08086	1.0
115.05440	2.3
116.99522	2.4
117.07055	2.1
119.04935	17.4
119.08532	1.6
121.06478	7.7
122.03648	6.5
123.04474	1.3
123.08068	1.7
128.06213	4.9
129.06995	16.2
131.04913	5.8
131.08572	2.6
133.02919	1.0
133.06477	1.5
133.10101	1.0
135.08014	6.3
136.05194	3.4
137.05962	74.0
138.06343	1.2
139.07538	1.3
143.04890	1.7
144.05672	1.0
145.06468	4.5
147.04367	1.5
147.08008	1.5
148.05226	1.3
149.05966	14.9
150.06726	1.6
151.03989	4.6
151.07523	100.0
152.06210	3.4
153.07002	1.4
157.06464	12.5
161.05937	13.9
161.09622	3.6
162.06747	1.8
163.03882	2.2
163.07532	20.6
165.06966	10.0
165.09030	4.8
166.07742	4.0
167.07187	1.1
167.08542	16.6
169.06442	1.5
169.10075	1.1
174.06769	6.5
174.99232	3.3
175.07510	5.7
176.98886	5.0
177.07011	2.4
177.09093	3.3
178.07761	5.7
179.08539	3.6
181.06438	6.8
181.10092	1.4
182.07153	4.7
183.08002	2.4
184.08864	1.5
189.09088	33.8
189.64351	0.9
191.08652	1.5
192.09393	2.0
193.06458	7.5
193.10085	8.7
194.07294	2.8
195.02859	1.2
195.08023	24.2
196.05266	1.1
196.08698	2.1
197.05928	6.5
197.09544	2.1
199.07471	1.4
202.07753	1.5
203.08485	2.4
205.06467	1.0
206.07339	2.5
207.08162	2.2
207.10179	6.2
209.05882	2.9
209.09630	3.0
210.06693	7.4
211.07558	4.2
211.11253	0.9
212.08293	5.3
219.08008	1.3
220.08762	1.3
221.05978	9.1
221.09566	11.6
222.06583	1.4
223.07491	11.4
224.08185	5.1
225.05453	3.9
225.09032	12.7
226.06165	1.2
227.07219	5.2
227.10628	29.5
228.10973	1.4
231.07980	1.9
237.05392	1.4
237.09140	3.3
238.06129	5.2
238.09969	2.3
239.06979	2.3
239.10619	1.6
240.07802	4.3
241.08591	2.4
241.12288	1.6
249.09006	8.6
252.07753	3.9
253.08600	16.6
253.12250	17.0
254.09451	1.2
255.06430	3.3
255.10133	33.2
256.10880	1.3
266.09494	1.7
267.10150	7.9
269.08008	5.4
270.08875	2.6
271.07016	1.6
271.09720	1.9
272.10385	2.0
281.08536	1.9
281.11725	7.3
284.10291	1.5
285.07739	6.9
285.11240	21.1
287.12744	57.1
288.13223	1.4
295.07077	1.2
298.11853	2.1
299.09183	3.2
299.12552	1.6
301.14297	3.1
313.07858	2.3
313.10840	3.3
313.14218	19.5
316.09070	1.3
317.11682	1.1
331.04233	2.5
331.08429	2.0
331.11661	9.6
331.15509	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1874
Annotation	Carnosol
Peak:m/z	Relative Intensity
56.89473	0.4
67.05489	0.7
69.07068	0.5
70.52662	1.9
81.07056	0.9
89.47131	0.5
95.08585	0.9
98.21425	0.4
98.98456	31.0
100.98897	1.0
109.10149	0.8
116.99487	1.2
119.08542	0.9
121.10154	0.4
135.08057	0.5
140.01089	0.8
144.59171	0.5
145.10095	0.7
174.61433	0.5
174.99191	1.4
176.98904	2.6
201.75388	0.5
222.47955	0.4
238.56738	0.5
331.18765	100.0
332.19083	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	331.2263
Annotation	Turricolol E
Peak:m/z	Relative Intensity
55.01850	3.2
55.05497	4.5
56.96537	1.5
57.07061	1.1
58.45062	1.0
67.05157	1.5
67.05494	19.0
69.06784	0.7
69.07059	9.8
69.49312	2.6
69.49732	5.5
70.34506	0.7
71.71251	0.8
72.93769	0.9
79.05478	5.8
81.03411	15.5
81.07046	15.3
83.08613	5.1
85.10182	1.2
87.60436	0.9
91.05460	5.0
93.07035	12.0
95.04955	41.0
95.08592	15.1
97.06506	3.1
97.10153	1.4
98.21066	3.9
98.98454	100.0
100.98879	2.0
105.07027	8.0
107.04929	2.6
107.08574	17.0
109.06499	5.8
109.10140	28.3
116.99477	6.4
117.06998	1.8
119.08572	8.6
121.06487	2.0
121.10137	12.1
121.10925	1.6
123.03554	1.6
123.04412	22.0
123.08035	3.0
123.11660	3.2
125.05954	3.7
127.07565	1.1
128.55911	0.9
129.06978	1.9
131.08556	4.7
133.06520	1.3
133.10104	6.9
135.08017	2.3
135.10675	1.0
135.11667	13.9
137.05956	2.1
137.09627	1.2
137.13179	1.2
139.03894	1.4
140.01015	2.6
141.05444	13.0
143.08519	3.6
145.10097	6.9
147.08028	3.0
147.11618	5.7
149.05994	1.3
149.09598	3.6
149.13258	5.6
150.36050	0.9
151.07515	1.2
151.11099	1.0
155.06987	1.1
155.08519	1.7
157.10094	2.4
159.06490	3.2
159.07907	2.2
159.11621	3.1
161.09625	3.5
161.13165	1.6
163.07545	1.0
163.14803	2.1
165.09044	1.7
165.12732	1.3
167.10284	0.8
169.06287	1.0
169.08656	2.1
169.10121	3.3
171.11642	3.0
173.09595	2.0
173.13191	1.5
174.99219	5.0
175.07567	1.2
175.11147	2.1
175.14853	1.0
176.98909	10.6
177.16309	1.9
181.08583	1.1
181.10081	1.0
183.07988	0.9
183.11610	1.4
185.09531	1.7
185.13245	3.5
187.11232	1.4
187.14781	3.5
189.12703	1.9
189.16341	12.8
191.14296	2.0
191.17934	12.8
193.10056	1.1
195.09990	1.0
197.09631	1.4
197.11569	1.2
197.13243	2.2
199.11197	1.6
199.14815	1.4
201.08995	1.0
201.16380	1.9
203.10638	2.5
203.14398	1.6
203.17928	4.0
211.11221	1.3
211.14856	1.2
213.12697	3.9
217.12253	1.0
221.11626	5.5
223.13194	2.2
225.12668	2.2
225.16655	1.3
231.13701	2.9
235.14893	2.2
239.14281	2.2
243.13882	1.5
249.14844	3.9
252.99615	2.1
253.15877	1.8
267.21097	2.6
271.16986	2.1
275.16379	3.1
277.19553	3.0
295.20541	18.5
313.21567	36.3
329.11749	1.4
331.19147	2.2
331.22610	46.5
331.25964	2.0
332.15579	1.3
332.23111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95186	1.0
55.05492	4.7
57.03432	1.8
57.07068	33.5
67.05495	10.9
69.07048	7.2
69.56257	9.6
70.06575	2.2
71.06897	1.0
71.08622	20.4
79.05477	1.7
79.64348	1.0
81.07043	14.1
83.08607	6.6
85.10181	11.4
88.07611	3.1
91.05467	2.0
93.07034	3.1
95.08586	16.5
97.10159	4.0
98.21220	4.0
98.98453	100.0
100.98851	1.8
103.95420	1.0
105.07001	3.1
106.08631	2.4
107.08575	2.8
109.10142	15.4
111.11642	1.4
116.99441	5.4
119.08546	3.1
121.10124	3.2
123.11690	4.9
125.13300	1.4
131.08527	1.3
133.10104	1.7
135.08051	1.5
137.13292	1.4
140.01027	4.5
145.10091	2.3
147.11693	1.6
149.13217	1.1
151.07426	1.0
151.14804	1.1
159.11723	1.4
161.13213	2.5
174.99268	6.5
175.14850	2.4
176.98918	13.0
191.14296	3.6
193.00198	1.1
217.15741	1.2
239.23717	8.7
252.99715	2.3
257.24698	2.3
295.24121	1.4
313.27487	23.8
313.32895	3.0
331.22513	3.0
331.26306	6.1
331.33942	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	331.2838
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05506	12.6
57.03431	6.6
57.07068	100.0
67.05497	27.1
69.07062	17.0
69.39925	14.4
70.06570	1.4
71.08622	63.5
72.08971	1.5
75.04475	3.5
75.65813	1.3
79.05470	1.5
81.07048	36.2
83.08617	23.9
85.10172	43.6
88.07615	1.7
89.06011	2.5
91.05479	2.0
93.07026	1.8
95.04987	1.9
95.08595	51.8
97.10164	14.9
98.20641	1.9
98.21307	4.7
98.98457	80.6
99.11716	1.9
100.98875	1.3
107.08552	1.8
108.33224	1.3
109.10149	27.1
111.11712	3.6
116.99499	3.9
123.11703	10.6
125.13284	3.2
133.10190	1.4
137.13260	4.2
151.14871	1.5
165.16440	3.3
174.99217	4.4
175.41429	1.3
176.98892	8.2
179.63165	1.3
221.22647	4.6
239.23685	26.1
240.01033	1.3
257.24783	6.5
298.27490	1.6
313.27328	66.0
314.27750	2.9
331.26306	3.3
331.33945	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	331.2837
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
54.54397	1.1
55.05501	9.5
57.03431	8.0
57.07069	100.0
67.05496	21.8
69.06718	1.2
69.07059	16.3
69.47383	1.0
70.04878	5.6
70.06574	4.1
71.08620	69.2
75.04453	4.2
81.07050	28.0
83.08607	25.1
85.10170	37.9
88.07600	5.0
89.06020	2.4
89.07950	1.3
95.08595	54.3
96.65933	1.2
97.10162	12.9
98.20856	1.7
98.21382	1.4
98.98466	16.1
99.11712	2.3
102.09150	1.2
106.08636	2.7
109.10142	23.7
111.11708	3.6
112.33057	1.1
113.13283	1.4
113.24503	1.1
123.11682	10.4
125.13265	3.0
137.13281	5.3
139.14763	1.6
151.14769	1.8
165.16425	2.7
176.98961	1.4
221.22623	3.0
239.23671	29.2
257.24777	5.7
297.96313	1.0
298.27295	1.2
313.27341	73.4
314.27744	2.6
331.33963	44.7
343.52545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01852	0.8
56.96555	2.1
57.03423	2.4
57.30843	0.5
61.02913	3.0
62.80551	0.5
65.03917	0.7
67.05494	2.6
69.03419	9.6
71.04984	0.9
71.31327	1.3
73.02908	3.8
79.05476	1.0
81.03429	2.9
81.07019	0.6
85.02896	11.9
87.04458	1.7
91.03951	0.8
93.05780	0.7
96.08099	0.8
97.02890	6.1
98.97569	1.4
99.04430	1.9
102.33801	0.5
103.40526	0.6
106.06552	3.8
107.42078	0.5
108.08105	100.0
109.02856	2.0
109.08443	0.9
115.03941	0.7
116.98553	1.2
119.01865	1.2
123.06805	4.6
124.07581	12.9
127.03895	3.6
128.98587	0.8
133.03455	0.7
134.06010	9.1
134.14230	0.5
136.07561	14.0
137.02817	0.7
137.08229	0.5
143.01881	0.8
144.00365	0.5
144.01826	0.7
145.04932	0.8
146.99609	1.0
147.05055	0.6
150.05524	0.5
152.07050	68.2
153.07341	0.8
154.08620	1.2
154.18349	0.5
155.01797	0.7
158.99667	0.5
161.05528	2.3
163.03903	1.2
170.00609	0.5
170.06039	2.0
170.08110	7.3
173.02888	0.6
177.04414	0.7
187.04507	0.6
189.06122	0.5
201.06122	0.8
212.07599	0.6
219.01790	0.6
219.07098	0.8
220.06860	0.8
237.02803	0.5
242.07993	0.9
245.05008	0.7
251.08240	1.1
297.60690	0.6
309.04919	0.7
314.12317	33.8
315.12784	1.2
321.10257	2.5
322.10580	0.9
332.13373	58.8
333.13855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03932	0.6
53.08624	0.4
55.01846	0.4
57.03423	1.4
61.02923	2.1
65.03926	1.0
67.05499	2.7
69.03426	7.0
70.97813	0.9
70.98147	0.4
71.04971	0.4
73.02882	1.6
79.05470	0.9
81.03407	1.7
81.07072	0.8
82.63734	0.4
85.02892	7.6
87.04454	1.6
91.03956	0.6
93.05799	0.8
96.08108	1.1
97.02876	2.9
99.04462	0.9
106.06531	5.9
106.20627	0.4
108.08105	100.0
109.02861	1.6
109.08447	1.7
115.07836	0.5
123.06812	4.0
124.07574	14.6
127.03916	1.6
134.05998	10.2
135.06346	0.4
136.07567	13.3
145.05011	0.5
152.07050	68.3
153.07390	1.5
154.08676	1.8
156.85435	0.4
170.08109	6.1
300.46432	0.4
314.12305	35.6
330.21173	0.4
332.13361	62.3
333.13794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0601
Annotation	Laricitrin
Peak:m/z	Relative Intensity
50.42996	0.2
65.03915	0.3
68.99789	1.7
69.51552	1.3
79.05490	0.3
81.03402	0.6
91.05476	0.3
93.03407	0.3
98.98451	0.7
108.02084	0.6
109.02882	1.8
111.00802	1.7
111.04439	0.3
114.23603	0.2
121.02821	0.4
121.06497	0.4
123.04406	0.6
125.02364	0.2
126.03101	0.4
130.25352	0.2
133.02792	0.2
135.11700	0.2
137.02301	1.8
137.05971	0.9
138.03105	0.4
139.03886	3.6
140.04683	0.3
142.69060	0.2
147.04387	0.2
151.03867	0.3
152.00978	0.3
153.01816	10.8
153.05493	0.3
161.06004	0.5
165.01825	3.1
166.02611	0.9
167.03386	3.1
167.06990	1.4
171.04382	0.4
173.14073	0.2
175.03912	0.2
179.03391	1.3
183.02872	0.9
189.05418	1.0
192.04327	0.2
193.04953	1.4
195.02893	0.2
199.03900	0.6
203.03389	0.6
205.04942	1.1
206.05771	1.2
207.02934	0.2
208.03639	1.8
210.01544	0.2
213.05487	0.3
216.04137	0.9
217.04955	5.0
219.02853	7.3
220.03661	0.3
221.04460	0.4
227.03430	0.6
229.04881	0.4
231.02850	0.2
231.06488	0.4
233.04424	3.5
234.01530	0.3
234.05176	0.7
241.04944	0.4
243.02922	1.2
244.03680	3.2
245.04436	6.3
246.04877	0.2
247.02318	0.6
249.03857	0.2
255.02826	0.9
259.05963	1.6
261.03937	2.1
262.04755	0.3
272.03143	0.8
273.03894	5.4
274.04428	0.2
277.07034	1.2
283.02420	0.3
284.03061	0.3
287.05453	1.7
288.09927	0.5
289.03409	3.7
290.04175	2.5
300.02597	0.6
301.03403	8.9
302.03793	0.4
304.05768	1.0
315.04953	0.5
318.03671	14.6
319.03992	0.5
333.06012	100.0
334.06363	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	333.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01863	1.8
55.05499	1.8
56.96552	3.6
61.02921	1.5
65.03934	1.2
67.05499	1.3
68.05021	1.5
69.03431	6.2
69.14198	1.0
71.52737	1.7
73.73512	0.8
79.05488	1.4
81.03409	2.4
82.06574	12.1
83.04968	1.7
84.08088	1.0
85.02895	16.8
85.07172	1.6
85.07662	27.0
86.09703	1.1
91.03945	1.3
91.05477	2.0
95.04977	1.3
97.02898	7.0
98.97578	1.3
98.98464	23.1
100.07622	1.2
100.98906	2.2
109.02869	1.1
109.08472	2.2
111.04430	7.0
116.98656	2.1
116.99471	2.1
119.01922	1.4
119.04912	1.2
123.04456	1.1
123.05529	3.7
127.03908	3.0
134.99634	1.2
135.39984	1.0
136.06174	4.1
137.05965	13.7
139.03896	15.1
145.04976	2.6
146.99626	1.3
147.04407	2.7
152.07013	1.1
153.05379	2.1
153.06560	25.4
163.03827	1.8
171.06345	49.4
173.02971	1.9
176.98923	3.3
177.00722	1.9
185.04228	4.8
185.13246	1.5
195.07637	2.7
203.05379	2.2
221.05052	8.8
231.13771	3.2
234.99109	1.2
237.02835	2.7
243.13300	1.2
255.07159	2.6
273.08145	9.3
287.09766	2.2
296.09821	1.2
315.12570	1.4
333.11514	100.0
333.14923	6.0
334.12045	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1177
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	2.1
55.05499	2.0
56.96554	2.8
57.03427	2.3
61.02924	5.8
65.03939	7.7
67.05503	1.2
68.99796	2.5
69.03427	14.1
69.79385	0.9
70.65896	1.1
70.66257	3.2
71.04996	1.6
73.02908	3.7
74.23075	0.9
81.03416	5.3
81.07060	1.0
82.06569	25.5
83.01297	0.9
83.04965	5.1
85.02899	41.6
85.07655	10.2
86.09705	1.5
87.04444	2.0
89.03947	0.9
91.03926	2.3
93.03407	1.5
97.02875	15.3
98.97578	1.6
98.98459	19.6
99.04465	2.1
100.07607	1.8
100.98917	1.0
103.03948	3.1
107.04958	1.4
109.02877	4.9
111.04433	43.6
116.98618	1.5
119.04922	1.5
121.04000	1.9
123.04440	1.7
123.05529	3.8
127.03906	12.2
134.99719	1.1
135.04428	1.5
136.06183	5.0
137.05962	1.9
137.31596	1.0
139.03888	93.1
140.04201	0.9
141.05486	1.4
141.70064	0.9
145.04965	6.8
147.04404	2.6
153.06567	58.1
156.04156	3.9
159.11571	0.9
163.03909	4.8
167.53033	1.1
169.04903	2.2
171.06502	100.0
172.06808	1.0
176.98909	3.0
183.06555	2.0
186.07217	1.2
195.07719	5.6
231.13841	1.6
234.98918	1.8
235.02339	1.2
237.02812	1.8
251.56895	1.2
315.12228	2.8
322.04596	1.1
333.11563	3.5
333.14905	2.6
350.08200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75947	0.2
55.05475	0.2
64.35052	0.2
66.92986	0.2
70.06583	0.4
70.11187	1.2
72.08127	0.9
72.67859	0.2
81.44282	0.2
83.04971	0.2
84.08125	0.3
85.07646	0.8
86.09663	0.2
97.02818	0.3
98.09676	0.5
98.21076	0.5
98.98439	1.7
101.06013	0.2
102.44423	0.2
111.04428	0.2
112.92550	0.2
119.04897	0.3
123.04414	2.7
124.04775	0.8
127.25859	0.2
134.99643	0.2
139.03891	1.9
147.04381	0.9
151.03886	0.9
152.07069	0.6
153.01741	0.3
162.05487	1.1
163.03833	0.8
164.07019	0.3
165.01767	0.5
165.05417	0.5
165.07324	0.3
171.09930	1.9
180.06560	1.2
181.06897	1.1
183.02879	0.6
193.04959	0.2
269.97510	0.2
303.08557	0.4
306.34879	0.3
317.06628	0.7
333.15152	100.0
334.15485	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	333.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50415	0.5
55.05491	0.8
56.96558	38.2
57.03426	0.7
67.05486	2.2
69.07069	0.7
71.61977	0.8
71.95247	4.1
72.96035	1.2
74.97591	2.8
79.05479	2.1
81.07031	1.9
83.04934	0.6
84.96028	1.8
86.97585	0.7
88.07605	0.9
91.05472	1.9
92.98608	0.7
93.07056	1.2
95.08595	1.1
97.96806	1.8
97.99163	0.9
98.97563	0.7
98.97787	0.7
98.98460	8.2
102.97030	1.0
105.07004	2.3
107.08574	2.0
108.72749	0.6
109.10149	0.6
110.97554	2.9
113.41040	0.6
115.97845	2.1
116.98594	1.8
116.99429	0.7
117.06991	0.7
119.08550	1.8
121.10111	1.0
123.01214	1.1
128.98598	10.9
131.00089	1.0
131.08513	1.0
133.10085	1.4
133.98853	1.6
134.99602	1.4
137.02669	0.7
139.01488	0.5
139.65602	0.6
141.02194	1.1
143.00075	0.8
145.10089	0.8
146.99634	24.8
147.03183	0.6
147.11615	0.6
152.00095	0.7
155.00035	0.7
155.03772	2.2
159.11656	0.7
161.01151	3.1
161.04831	0.7
161.13203	0.6
165.00690	6.3
169.05313	0.6
170.01183	2.9
171.03207	0.9
175.02678	1.0
176.98834	1.0
179.02255	1.7
181.04961	0.6
183.03021	0.7
185.04805	0.9
189.00616	0.7
189.04311	3.3
191.03728	0.8
193.03755	0.7
201.04250	1.1
203.04025	0.7
203.05859	2.8
225.07872	1.0
227.09535	1.3
235.10077	0.7
241.11157	1.0
243.08968	1.2
244.09842	0.8
245.10521	1.7
259.12210	1.5
262.16833	0.6
263.09421	3.8
264.10272	0.7
265.11084	1.0
277.11182	1.2
281.10562	1.2
282.11429	0.7
285.29718	1.0
286.11313	0.8
289.11200	1.1
303.12601	2.9
313.14514	1.0
315.16254	51.5
316.16580	2.4
321.13803	1.0
331.15625	3.3
333.17310	100.0
333.24112	3.7
333.31860	5.3
334.17770	5.0
349.16977	0.7
351.18362	23.9
352.18906	1.5
356.18924	34.7
357.19308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03925	2.7
55.01859	3.9
55.05484	4.4
57.03429	10.3
57.07075	19.3
59.04998	11.2
59.95816	1.3
61.02923	10.7
63.98936	1.2
67.05496	7.8
69.03415	25.5
69.07054	11.6
71.04991	7.2
71.60859	2.5
72.04383	1.5
73.02905	3.8
79.05473	1.4
81.03403	10.7
81.07039	5.7
83.04933	1.5
83.08609	4.9
85.02892	95.3
85.06537	11.0
87.04434	3.3
91.03936	6.4
91.05446	1.8
93.07027	6.2
95.04941	3.3
95.08592	65.2
97.02880	27.7
97.06518	6.4
99.04446	7.2
99.08072	14.5
103.30224	1.4
105.07052	2.0
107.08566	10.8
109.02869	7.7
109.06494	8.4
109.10137	19.3
111.08069	11.6
111.11692	3.0
113.09626	100.0
115.61958	1.3
127.03902	18.7
127.11173	53.7
133.04901	2.6
135.11667	20.0
137.09547	1.6
137.13260	8.4
145.04932	27.5
145.05983	2.5
153.12726	99.3
154.13065	1.5
155.14268	19.9
163.05995	3.4
171.13783	69.1
172.14148	1.8
177.12747	2.0
179.96397	1.3
191.18378	1.4
195.13782	4.2
213.14833	4.3
242.76907	1.6
297.16898	2.1
301.11896	4.0
326.88034	1.3
333.15179	1.7
333.18848	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	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.6
69.64738	2.0
69.65146	1.0
72.93780	1.0
81.07046	0.8
83.04955	0.5
91.05459	0.4
93.07037	0.4
95.08556	0.8
98.98451	1.4
105.07003	0.9
105.40842	0.3
107.08565	0.9
113.96382	1.2
116.97214	0.4
119.08541	0.5
131.97418	1.4
139.98843	0.4
147.11577	0.4
147.16347	0.4
154.98984	1.3
190.09039	0.4
231.12706	0.5
247.12985	2.6
309.67090	0.4
310.17184	0.5
315.19266	5.8
333.20322	100.0
334.20642	2.7
334.23865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.0
56.96557	1.1
67.05496	0.9
69.07063	0.8
69.58577	4.0
74.56303	0.4
79.05466	0.9
83.04967	7.7
91.05435	0.5
93.07032	0.5
95.04929	0.5
95.08561	0.6
98.21445	1.1
98.98459	3.3
99.03147	0.5
105.03389	3.5
105.06975	0.9
107.08554	0.5
111.04418	1.4
113.96418	0.6
116.83144	0.6
118.40059	0.5
125.31323	0.5
131.97377	0.6
154.98999	0.6
193.05032	1.0
195.09933	0.7
241.19917	0.5
249.14981	0.5
287.11673	0.6
300.66412	0.8
311.11652	0.5
333.20316	100.0
334.20566	3.9
334.24011	0.6
351.20175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.96550	0.6
69.24979	0.2
71.07589	0.6
81.07031	0.5
83.04479	0.2
83.04966	0.7
91.05453	0.2
93.07030	0.3
98.21012	0.3
98.98450	0.8
105.03368	0.4
105.07089	0.2
119.08540	0.7
131.21243	0.3
133.10123	0.3
142.55684	0.3
154.98970	0.4
263.12366	0.3
271.14578	0.3
294.08762	0.3
309.66815	0.6
333.20322	100.0
334.20682	2.9
334.24313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01860	1.3
56.96560	0.7
57.03420	1.0
59.04957	0.6
61.02916	3.6
65.03925	0.8
69.03420	5.7
71.04957	0.8
71.31817	1.0
73.02898	1.3
81.03405	3.1
81.63870	0.4
85.02896	29.2
86.03221	0.6
86.09624	0.5
87.04471	1.0
91.03931	2.1
91.05472	10.8
91.43633	0.4
97.02280	0.6
97.02882	8.8
98.97525	0.5
98.98437	0.6
99.04478	1.0
109.02871	2.1
109.06528	1.1
109.74473	0.6
117.03345	0.6
117.13179	0.4
119.04932	8.6
123.04392	0.6
127.03909	4.9
135.04359	0.9
137.05959	100.0
138.06297	3.2
145.02773	0.6
145.04936	7.1
147.04430	1.1
151.07533	1.1
155.03392	0.8
155.07010	11.6
161.05975	0.7
162.07610	0.5
163.03893	2.2
163.05945	0.7
165.05472	0.6
167.06967	0.6
172.09706	1.3
179.07007	1.8
180.08626	6.2
203.07002	0.8
217.08832	0.4
221.08339	0.4
230.58644	0.5
234.99080	0.6
240.90469	0.4
245.08167	1.0
252.97948	1.4
263.09137	1.3
277.97473	0.5
281.10236	1.2
324.48364	0.4
334.14523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01854	1.7
55.05513	4.7
56.05014	0.6
56.96548	1.8
57.03416	1.7
61.02907	2.2
67.05458	0.8
69.03426	5.7
69.07049	0.7
69.81180	4.1
70.06577	1.5
71.04973	3.0
73.02895	1.2
77.75755	0.6
79.05481	2.8
81.03397	2.6
81.07051	15.0
83.08606	5.9
84.04478	1.0
84.08110	1.0
84.96051	0.8
85.02889	14.7
85.06519	2.3
85.07653	2.5
86.06060	1.0
86.08012	0.8
86.09669	1.2
91.03948	1.4
91.05478	2.3
97.02891	6.6
98.06030	0.9
98.09676	2.1
98.97561	2.3
98.98457	1.7
99.08056	0.8
108.08111	3.5
109.02847	2.1
109.06513	12.7
111.08089	0.8
116.98597	3.2
119.04953	1.2
123.04427	1.5
124.07526	1.0
126.09141	40.2
127.03892	2.8
127.07543	16.1
127.09454	1.1
128.98566	1.2
131.08589	0.8
134.99658	2.6
136.07553	1.3
137.05959	8.0
139.03894	1.3
145.04958	2.6
146.99631	1.6
147.04381	2.9
154.08617	53.0
155.03392	1.3
155.07018	26.3
155.08925	1.2
158.99570	1.0
161.01254	1.4
162.05515	1.0
163.03949	1.4
172.09673	100.0
173.08116	1.3
173.10031	2.2
177.00667	1.8
207.16571	0.7
237.02826	3.2
268.09058	0.7
275.08151	0.7
287.10245	1.0
293.08984	3.8
311.09912	0.7
316.13928	0.8
316.43863	0.7
317.11392	1.9
334.08929	52.3
334.15253	1.6
335.09683	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	335.0391
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
55.01858	0.7
68.80058	0.2
68.99795	1.8
69.47824	2.5
71.01343	0.3
79.01848	1.0
81.03378	0.4
95.01321	0.8
97.02878	1.0
98.21071	1.0
98.63060	0.3
103.05464	0.3
107.01274	0.6
109.02856	1.1
111.00785	0.5
111.04398	0.4
113.02330	0.5
121.02821	1.0
123.00769	1.2
125.02332	1.7
126.03121	0.3
131.04906	0.6
137.02336	1.5
139.03906	1.3
141.01825	0.8
143.03383	1.1
147.75760	0.3
148.47205	0.3
149.02313	0.4
153.01810	20.8
154.02158	0.5
155.61952	0.3
159.04384	0.9
163.03905	1.3
165.01843	1.7
167.03383	0.3
169.01314	7.9
171.02827	0.5
175.03822	0.3
177.05424	1.2
179.03371	0.9
181.01288	2.9
185.00809	1.3
187.03886	2.3
191.03436	1.3
193.05022	0.4
195.02866	1.1
199.03828	0.3
203.03360	0.4
205.04956	1.4
207.02875	0.4
211.02257	0.4
215.03386	2.7
217.04974	0.7
219.02876	1.1
221.04358	0.4
233.04440	3.6
243.02873	1.9
245.04425	0.6
247.02396	0.5
261.03900	5.9
265.03485	0.4
271.02359	1.3
273.03964	0.9
279.04938	0.6
289.03384	15.3
290.03775	0.8
291.04977	1.4
299.01886	0.8
306.03668	0.6
317.02887	11.4
335.03934	100.0
336.04263	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0735
Annotation	GroPIns
Peak:m/z	Relative Intensity
54.95973	1.9
65.78181	1.6
70.07373	5.8
70.07791	2.8
98.97548	4.1
116.98576	2.3
119.01913	6.1
121.83685	1.5
143.01880	5.1
145.03458	2.9
154.54567	1.7
155.01831	2.2
157.03464	1.6
158.99698	1.7
161.02895	8.9
173.02986	3.4
177.00658	2.2
185.02924	3.8
203.04129	2.3
219.01773	2.8
221.05115	1.9
237.02794	4.5
245.05034	4.0
263.06097	2.8
275.09250	2.0
289.06436	1.5
293.10782	4.3
301.55679	2.0
332.70212	1.6
335.07343	100.0
336.07654	2.0
353.07428	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00076	0.8
54.06325	0.9
55.05503	1.1
56.96555	12.8
57.03407	1.3
58.12738	0.8
59.05003	0.8
61.02908	2.1
65.39330	0.7
67.05495	0.9
69.03416	6.1
70.06569	0.8
71.60876	1.0
73.02889	2.1
73.06556	1.1
74.65028	0.8
77.00895	0.9
81.03390	2.6
81.07021	1.0
82.99833	1.1
84.04476	1.1
84.08123	1.6
84.96043	1.7
85.02891	9.4
85.07652	1.1
86.03217	0.9
87.04491	1.0
88.82872	0.8
91.05444	1.9
94.89594	0.8
94.99834	0.8
97.02868	7.3
98.97569	13.0
101.00850	8.7
107.04950	0.9
110.97528	1.6
113.00850	2.4
113.98657	0.8
115.02391	2.1
116.98605	11.3
119.01902	37.6
119.04919	1.9
120.02006	1.6
120.08054	1.5
123.04662	1.3
123.05526	8.8
127.03889	3.2
128.98611	4.3
129.03931	1.5
130.06491	1.4
130.08607	0.9
131.00229	1.1
131.01891	17.6
131.05553	4.9
133.03461	5.7
134.99629	9.6
135.04398	1.4
136.00066	0.9
137.02951	8.2
137.05934	4.7
138.06308	1.9
142.03542	1.0
143.01878	57.6
144.01872	2.0
145.01683	1.1
145.03430	5.6
145.04881	1.4
146.99605	3.8
147.04391	4.5
148.04802	1.3
149.01193	1.6
149.02994	4.6
149.06567	10.6
153.00641	0.9
155.01877	17.8
155.04564	2.7
155.05653	1.2
155.54771	1.7
156.02638	2.5
157.03421	2.2
158.99617	4.9
159.05013	3.0
161.02934	100.0
162.03101	2.6
162.99083	1.4
163.02678	2.9
163.03908	7.1
164.04123	1.1
165.00659	2.7
167.05536	0.8
171.04997	1.7
173.01553	0.9
173.02953	25.5
173.05052	1.4
173.06564	25.2
173.07718	0.9
174.03073	1.1
175.04485	3.1
177.00684	7.7
177.06073	4.7
179.03926	1.0
179.07132	0.9
184.04501	8.3
185.01231	0.9
185.02910	1.1
185.04930	1.8
185.06567	24.6
187.08138	6.5
190.98613	2.5
191.03888	1.1
191.05904	2.0
191.07625	10.0
196.04501	1.5
197.02791	1.1
197.06490	1.5
197.13229	1.0
199.08270	1.7
201.00673	0.9
203.03990	6.7
203.07620	17.2
208.55234	1.2
208.99588	1.2
209.06738	1.3
215.05676	1.6
215.07625	14.7
217.09198	2.6
219.01776	3.7
221.03046	1.7
221.05029	19.9
222.05232	1.3
223.01132	1.6
226.05885	1.0
226.09120	1.3
227.07391	3.3
227.56918	3.1
232.99596	1.4
233.06693	1.3
233.08653	3.8
234.98991	1.1
237.00655	1.5
237.02779	10.9
244.07744	1.0
244.57976	5.2
245.05051	1.8
245.07655	1.0
251.00554	0.9
253.00294	1.3
255.03896	1.5
257.08691	4.3
275.09723	33.4
280.57364	1.1
289.06021	2.2
291.07303	0.9
293.10773	99.9
294.10947	4.7
307.07065	3.7
309.08508	3.2
310.09070	1.1
310.59940	2.2
316.12366	4.7
325.60532	7.9
326.10800	2.1
335.11838	76.0
336.07632	1.1
336.12051	2.4
353.07513	3.0
353.11407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37160	0.5
53.03942	1.1
55.05516	0.6
65.03931	1.9
67.05504	4.4
69.07064	100.0
70.07399	1.2
70.66602	1.7
76.71585	0.6
79.05495	1.4
80.05010	0.8
81.03409	0.8
81.05769	0.6
81.07053	4.3
91.04202	0.7
91.05506	1.0
92.04990	3.0
93.03388	0.6
93.05769	1.0
93.07060	1.4
94.06561	3.9
95.04948	1.5
96.08105	1.1
97.06525	17.5
105.07040	0.9
108.04459	1.5
109.02907	0.9
109.06524	0.9
110.06003	0.6
119.03668	1.3
120.04435	1.1
121.05233	0.8
122.06009	8.8
124.07595	1.7
125.05997	1.2
129.84361	0.6
130.06575	1.1
131.07295	1.1
131.52309	0.5
133.10104	0.8
134.06035	0.8
137.06012	3.5
138.05478	5.3
140.07062	8.9
142.07674	0.6
142.08664	0.6
143.08501	0.7
144.08054	1.6
145.08856	2.7
145.10060	1.3
146.08609	0.6
146.09590	3.0
147.06769	0.9
148.03958	2.1
150.05496	83.0
151.05899	1.1
152.03450	1.1
155.08582	0.6
157.08926	3.1
157.10042	0.8
158.09705	1.3
159.10458	1.2
160.07565	1.6
160.11197	1.3
161.08357	5.5
162.09137	2.4
164.03464	1.7
165.04182	0.8
166.04990	31.9
167.05341	0.7
168.06593	1.4
171.06763	0.6
172.07559	1.9
172.11198	4.1
173.08319	2.1
173.09668	1.0
174.09146	1.8
174.12772	6.3
176.03387	8.2
176.04778	1.0
176.10591	0.6
178.05046	2.3
182.04433	1.2
185.08344	1.7
186.05643	0.6
186.07614	1.4
186.09100	1.1
188.07079	0.7
188.10745	1.4
190.04938	0.7
190.08557	0.6
190.12224	4.9
192.02936	0.6
193.06126	0.7
194.04457	3.9
198.07803	1.0
200.07040	1.1
200.10756	6.2
202.08656	0.9
202.12260	9.1
204.06580	0.7
204.10121	0.7
210.09189	0.6
213.10162	1.0
216.10211	4.6
218.08157	1.8
218.11757	30.9
219.12199	0.9
226.08727	0.9
227.11790	0.8
228.10191	16.1
229.13289	1.8
233.09279	1.0
234.11263	3.5
241.09694	0.7
243.11246	1.3
244.09619	1.8
245.12906	1.3
246.11253	28.1
247.11728	1.1
255.11191	0.8
256.09555	1.4
261.08618	1.7
261.12338	0.9
262.10703	1.3
271.10760	3.9
272.09125	3.5
273.12329	4.2
274.10699	3.7
287.10248	9.3
289.11838	10.5
290.10266	1.9
291.13425	1.1
299.10251	6.4
299.13559	1.1
317.11325	36.8
335.12350	33.2
335.18298	0.9
336.12793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.5
54.07486	0.8
55.05505	7.8
57.03417	2.8
57.07065	15.9
66.55197	0.8
66.88462	0.8
67.05497	11.0
69.07051	3.7
71.61921	1.4
79.05485	6.1
81.07041	8.5
83.04971	17.9
83.08588	1.7
85.06532	1.9
86.77857	0.8
91.05460	4.5
93.07045	6.5
95.04951	4.4
95.08597	6.7
105.03374	30.3
105.07026	2.8
106.03701	1.4
107.08581	3.9
109.10151	3.4
111.04425	12.8
117.07041	0.9
119.08563	2.5
121.10133	3.1
123.01328	0.8
123.11684	1.4
129.05431	1.1
131.08571	1.5
132.71832	0.8
133.10107	3.0
135.11649	2.0
139.98825	1.9
145.10197	1.3
159.43350	0.8
161.13141	0.9
163.14919	0.8
163.66455	0.8
166.13181	0.9
185.76489	0.9
195.11658	0.9
213.11166	3.6
215.14316	0.9
218.56400	0.8
221.11484	2.0
233.08128	1.1
335.21915	100.0
335.25784	12.4
336.21915	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	335.2212
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
53.03928	3.8
55.01860	3.6
55.05508	14.9
56.96548	4.6
57.03425	15.1
57.07062	3.8
61.02917	15.6
65.03925	2.6
67.05499	24.9
67.77845	2.0
69.03420	40.1
69.07062	17.5
69.37902	23.2
71.04973	5.7
73.02901	5.1
79.05488	19.7
81.03430	5.1
81.03930	2.1
81.07048	49.3
83.04961	8.3
83.08614	5.5
84.64234	2.2
85.02891	30.1
85.06487	4.5
87.04449	22.6
87.37404	2.0
89.57891	2.2
91.03959	11.0
91.05466	27.0
93.07030	35.1
95.04961	18.4
95.08594	52.5
97.02879	27.9
97.06501	9.5
97.10153	2.3
98.20753	3.8
99.04449	4.3
103.03935	3.4
105.07019	61.2
107.08582	41.9
109.02830	8.2
109.06503	14.1
109.10139	32.4
111.04424	7.0
113.06011	2.4
115.03905	20.2
117.06994	10.6
119.08562	50.5
121.06493	6.1
121.10123	29.0
123.04370	5.3
123.08040	8.1
123.11660	12.6
125.06040	4.3
128.06187	3.9
129.06969	8.9
131.08554	29.5
133.04958	11.1
133.10120	38.1
135.08028	6.7
135.11716	14.3
137.09583	3.8
141.05406	4.3
141.06972	3.4
142.07735	3.7
143.08531	18.6
144.09276	3.6
145.10100	49.1
147.07982	5.2
147.11682	37.7
149.09576	3.8
149.13237	8.0
153.07030	2.6
155.08525	9.2
156.09357	4.8
157.10114	24.1
159.06476	4.9
159.08028	5.1
159.11681	38.8
161.09563	6.6
161.13234	13.7
163.11198	6.0
163.14783	3.5
167.08554	3.6
169.10077	10.1
171.11665	18.6
173.08104	7.0
173.13249	20.6
175.11177	5.3
175.14784	16.4
177.16360	3.8
181.10098	6.0
183.11650	10.0
185.13225	9.2
187.09593	3.4
187.11087	3.5
187.14738	21.7
189.12695	2.5
189.16354	49.2
191.10545	2.6
193.12199	3.6
195.11696	3.6
197.13197	9.9
199.14796	11.8
201.16348	49.3
202.16652	2.7
203.17897	15.4
211.14767	7.8
213.16379	21.2
215.14450	4.6
215.17937	22.6
217.12122	2.8
217.19470	4.6
225.16301	5.6
227.17966	13.8
233.15302	3.4
239.17897	2.9
243.17424	4.0
243.41426	2.5
245.19000	21.1
253.19395	4.0
263.18011	3.9
269.18951	5.7
271.20453	2.8
273.90738	2.8
281.19037	9.0
287.20004	4.5
299.20053	16.4
317.21088	23.3
335.18433	10.8
335.22101	100.0
336.12323	2.8
336.22446	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	2.0
55.05502	11.4
57.03429	15.6
59.06117	3.7
63.36448	1.6
65.03942	1.7
67.05496	48.7
69.07059	11.3
72.61762	1.6
79.05486	21.9
80.04951	2.0
81.07049	45.7
83.08606	3.1
85.07643	2.2
91.05473	8.9
93.07028	27.0
95.04974	2.2
95.08598	33.0
96.49815	1.6
105.07018	6.9
107.08582	16.1
109.10146	16.3
110.07125	3.7
112.08755	2.0
117.06976	1.9
119.08556	7.8
120.99852	1.7
121.10123	11.4
123.11680	7.7
131.08528	4.9
133.10132	3.9
135.11681	7.5
137.13310	2.2
137.20634	1.7
145.10110	2.1
147.11594	1.9
149.13272	2.2
159.11700	3.4
161.13208	2.9
163.14789	2.1
173.13293	2.8
187.14749	2.8
261.22028	3.9
280.14655	1.9
335.25772	100.0
339.27118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.0
55.05504	20.5
57.03430	21.2
57.07074	5.0
60.40134	0.7
65.03922	2.8
67.05495	68.5
69.03408	0.9
69.07056	18.0
69.69883	0.7
69.78956	5.4
71.04961	1.3
79.05482	35.6
79.05952	1.8
81.07045	57.5
83.04990	4.7
83.08604	6.2
85.06540	2.4
91.05467	16.9
93.07030	35.2
95.04956	5.1
95.08593	45.5
97.06510	2.6
97.10160	2.4
98.21439	1.5
98.98473	1.7
99.08079	1.4
105.03372	4.8
105.04514	1.0
105.07024	9.3
107.08580	17.1
109.06488	2.2
109.10136	14.3
111.04419	1.5
111.08067	1.5
117.07002	2.4
119.08575	7.1
120.03513	0.9
121.10123	11.9
123.08022	1.1
123.11700	4.6
129.37170	0.7
131.08525	4.5
133.10107	4.4
133.23019	0.8
135.11646	6.9
137.13220	1.0
145.10101	3.2
147.11650	3.0
148.50578	0.9
149.13252	2.8
159.11646	2.2
161.13217	2.0
173.13263	2.3
177.16315	0.8
187.14738	1.7
221.11501	1.0
261.22119	2.1
262.43332	0.8
294.24216	1.5
335.21814	69.8
335.25781	100.0
336.22137	2.1
336.25851	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	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	2.0
55.01862	0.8
55.05507	15.8
57.03434	16.8
57.07074	3.5
59.93881	0.6
61.38275	0.6
64.51675	0.5
65.03920	1.5
67.05499	63.8
68.05819	0.6
69.03428	0.9
69.06712	1.0
69.07063	16.1
69.43517	0.7
69.49117	4.5
71.04975	1.5
79.05485	32.8
81.03423	0.8
81.07050	55.0
83.04984	3.9
83.08608	6.4
85.06513	2.1
87.35918	0.7
87.54474	0.6
91.05470	14.9
93.07034	34.1
95.04955	3.7
95.08597	43.5
97.06495	1.6
97.10159	1.8
98.20895	1.6
98.21469	1.1
98.98421	1.4
99.08070	0.7
105.03368	2.7
105.07014	9.3
107.07863	0.8
107.08582	14.6
109.06476	2.4
109.10145	15.0
111.04404	1.5
111.08069	1.4
117.07006	2.2
119.08582	6.6
121.10131	12.1
123.08025	0.8
123.11702	4.9
129.06953	0.6
131.08580	5.2
133.10110	5.3
135.11703	8.3
137.09579	0.9
137.13235	1.0
144.49884	0.7
145.10127	3.2
147.11646	3.2
149.13280	3.4
155.31886	0.6
159.11678	3.0
161.13264	2.3
163.11249	0.7
163.14787	1.9
173.13206	2.1
187.14806	1.1
224.87096	0.6
243.21078	1.5
261.22058	2.4
279.23206	0.7
335.21960	9.1
335.25726	100.0
336.22324	0.8
336.25897	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	2.6
53.07015	0.6
55.01851	0.7
55.05255	1.0
55.05503	13.9
57.03430	18.9
57.07071	3.6
60.77380	0.6
65.03920	2.0
67.05494	61.5
68.05827	0.6
69.07057	13.9
70.12841	1.4
70.13244	2.9
71.04978	1.2
71.08604	2.1
71.72445	0.6
79.05479	32.9
81.07044	61.5
83.04967	1.8
83.08608	6.9
85.06553	1.6
85.10151	1.6
89.06021	7.2
91.05466	17.0
93.07028	37.1
93.18034	0.7
95.04964	4.1
95.08591	49.3
97.06508	1.8
97.10143	2.7
100.33292	0.7
105.04591	0.7
105.07013	11.1
107.08578	20.1
109.06503	2.0
109.10140	19.6
111.08058	1.0
116.57230	0.6
117.06996	3.8
119.07780	0.9
119.08563	9.8
121.10130	15.2
122.10474	0.6
123.08055	1.1
123.11682	7.7
131.08530	6.9
133.08559	2.7
133.10114	7.0
135.11682	10.9
137.13226	2.3
145.10106	4.3
147.11665	4.7
149.13242	6.1
152.14685	0.6
159.11681	2.9
161.13249	3.9
163.14809	2.1
173.13237	4.1
175.14803	1.7
177.16357	0.9
187.14824	2.0
195.12206	2.0
243.21046	5.1
261.22089	6.8
279.23199	0.9
297.10547	0.6
317.24835	3.3
317.27844	0.6
335.25726	100.0
336.25793	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	337.044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	45.5
58.45244	1.5
62.63144	1.6
68.05410	1.8
70.15639	9.0
70.98109	8.5
74.06078	1.9
74.97618	1.8
81.03426	2.0
84.96027	3.7
85.01411	3.8
85.02901	4.8
88.99152	8.0
94.99870	2.1
98.97579	34.6
101.00855	10.9
103.02438	18.3
103.38164	1.6
110.97569	10.1
112.99117	2.8
113.00869	2.6
115.02448	3.4
116.98618	25.7
119.01920	32.0
121.03458	14.8
124.95461	1.9
127.02410	7.0
128.98596	19.8
131.00212	3.7
131.01884	23.1
133.03462	93.2
134.99635	11.8
137.02902	2.1
139.02403	2.4
142.96501	5.0
143.01883	11.1
145.01700	2.8
145.03459	60.5
146.99637	27.5
149.01183	3.1
149.02922	4.7
151.04507	51.0
155.01849	21.0
156.05028	3.4
156.98114	7.2
157.03462	29.2
158.99651	5.5
159.05011	7.7
160.97566	3.5
161.01570	3.1
161.02969	21.4
163.04518	5.5
165.00705	15.2
168.05124	1.9
169.03477	4.7
170.96057	3.0
170.99612	3.0
171.01306	3.7
171.05037	8.1
173.01535	2.1
173.02937	33.8
174.99133	62.6
175.00659	3.9
175.02969	4.2
175.04506	63.8
177.00659	6.5
177.06024	3.5
181.03436	5.9
183.01585	2.4
183.05048	2.8
184.97665	2.1
185.02953	7.3
187.02905	3.0
187.04512	31.7
188.97061	15.2
189.00679	14.7
189.02443	6.4
189.04486	2.1
189.06093	13.2
190.98589	2.5
191.03975	4.2
193.00191	85.8
193.03534	3.6
193.05490	2.8
197.02924	3.2
199.00970	2.2
199.04465	10.6
201.02452	3.2
201.06076	30.6
202.98645	9.0
203.04051	4.6
205.00223	3.1
206.98155	11.1
207.01729	10.7
211.01318	8.7
211.04527	30.9
211.06615	4.6
216.01787	3.2
217.00143	26.1
217.01968	33.5
217.05522	34.3
218.99690	2.0
219.01706	3.8
219.07007	2.8
220.99738	4.0
221.04997	9.2
223.01270	5.7
229.00090	2.5
229.02008	14.1
229.05530	8.6
230.98088	14.0
235.00989	17.3
235.03316	11.5
235.06680	5.2
237.00700	18.8
237.02872	9.3
239.00836	2.5
239.06076	12.6
244.99696	6.1
245.05095	2.8
247.00961	11.8
247.03117	6.6
247.06659	10.8
248.99164	7.3
255.01663	7.5
255.03946	7.7
259.06665	2.4
263.00735	28.8
265.02310	3.3
265.07721	3.2
267.03851	2.7
271.06647	3.1
273.02829	8.5
275.06210	10.6
277.02310	6.7
277.07629	33.2
277.10330	3.1
281.01785	5.1
286.02432	2.4
295.08746	100.0
296.08899	3.2
305.01599	3.1
318.10492	4.0
319.05054	7.3
337.04645	9.1
337.09607	57.3
355.09140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.6
56.87591	0.9
56.96548	3.6
59.06110	0.9
66.64388	0.8
67.05481	2.5
68.06766	0.9
69.03415	2.0
69.07037	2.5
71.04973	0.8
71.59005	1.1
73.36506	0.8
79.05486	5.6
81.03391	1.8
81.07057	7.6
83.04975	1.4
85.02909	4.6
89.03889	1.0
89.07144	1.7
91.05476	8.3
93.07035	4.3
93.94657	0.8
95.01334	1.0
95.04943	1.7
95.08606	3.0
98.97564	3.6
99.04425	1.1
105.07034	9.8
107.04936	2.5
107.08589	3.1
109.10165	1.7
111.04459	1.0
116.98616	3.6
117.07011	1.3
118.06545	1.4
119.01899	1.2
119.04953	4.7
119.08588	5.0
121.06460	1.1
121.10107	2.3
123.04399	1.9
125.02312	1.1
127.03899	2.1
128.06155	1.1
129.06970	1.7
131.08551	3.8
133.10123	3.6
134.99669	1.5
135.04408	1.4
135.07988	1.0
139.03914	1.9
142.07742	2.2
143.03415	1.0
143.08531	4.2
145.02849	1.3
145.10115	2.0
147.04398	14.4
147.11649	3.4
157.10141	4.6
158.99622	1.3
159.11649	2.8
161.09593	2.1
161.13234	2.7
163.03899	6.0
171.11693	1.6
173.13240	2.1
177.00642	1.2
189.16417	1.1
199.14799	4.9
203.05276	1.3
209.11697	2.9
217.15854	3.5
219.01624	1.4
237.00726	2.2
237.02728	2.0
247.06517	1.4
255.01781	1.4
273.02859	1.1
319.13034	1.6
337.08884	100.0
338.09125	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0914
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
51.02365	0.3
53.03931	0.3
53.79585	0.2
55.01863	0.9
55.05496	0.6
57.03418	0.4
59.05005	0.4
59.08749	0.2
61.02903	0.8
65.03932	0.8
67.01842	0.3
67.05501	0.4
68.02635	0.9
68.99777	0.4
69.03423	3.5
69.07060	0.3
70.06572	0.4
71.04990	3.1
71.31270	0.3
71.31595	0.4
79.01807	0.4
79.05484	0.4
81.03401	0.4
81.07052	0.8
83.01325	0.3
83.04955	0.2
84.02112	2.4
85.02898	4.6
86.09706	0.4
91.05470	11.0
93.07043	0.6
95.01320	12.9
95.04945	0.3
95.08591	0.6
96.02122	0.4
97.02879	0.5
98.21126	0.4
99.04450	6.1
101.02376	0.8
105.07011	1.0
107.04942	0.3
107.08567	0.3
109.10162	0.4
111.04407	2.2
113.02348	1.0
114.03132	0.3
119.04928	28.3
119.08573	0.7
120.05264	0.7
123.00816	0.6
125.02338	23.4
126.02670	0.4
127.03896	2.9
139.03888	0.3
141.01816	2.4
142.07742	0.3
143.03380	17.7
143.08588	0.3
147.04391	100.0
148.04721	1.6
155.03378	11.4
156.14136	0.3
157.10152	0.5
159.11688	0.3
165.05453	2.3
173.04459	1.7
177.03323	0.4
199.14803	0.5
207.29384	0.3
209.11620	0.3
219.06483	0.7
223.09657	0.3
231.02907	0.3
241.09775	0.4
249.07516	1.0
297.79047	0.2
301.11954	0.9
305.06662	0.8
319.12732	0.8
337.09131	14.8
338.09390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01302	1.1
67.88557	1.1
69.44950	4.8
69.45376	5.2
77.00848	1.3
85.01399	3.2
98.39194	1.2
98.97510	1.5
101.00874	7.2
103.02442	12.7
113.00845	1.8
115.02429	3.7
118.28414	1.2
119.01908	20.3
121.01605	1.5
121.03468	8.9
127.02377	4.0
129.03970	1.3
131.00235	1.4
131.01892	12.8
133.03453	80.1
133.12691	1.1
134.03528	2.2
137.00816	1.3
137.02971	2.5
139.02429	1.6
143.01874	6.6
145.01735	1.5
145.03452	30.0
147.04945	1.8
149.01186	1.5
149.02997	1.4
151.04507	44.5
155.01897	15.0
156.04993	2.8
157.03444	20.1
159.04996	6.4
161.02934	11.2
163.02708	2.0
163.04509	4.9
167.01886	1.2
169.03424	3.1
169.05568	1.4
171.01363	2.8
171.04964	5.4
173.02934	20.1
175.04504	55.7
176.04854	1.3
177.06021	2.0
181.03413	5.4
185.02940	4.1
187.04495	30.0
188.04620	1.4
189.00726	1.5
189.02473	4.6
189.06079	15.2
193.05508	1.7
197.03049	1.3
199.04420	8.4
201.06056	30.1
203.04008	2.3
209.03017	1.2
211.04500	29.6
211.06589	6.1
212.04483	1.8
217.01996	20.5
217.05536	34.1
218.35672	1.4
219.07085	2.2
221.04967	5.3
229.01912	8.9
229.05472	5.5
235.02954	11.6
235.06551	8.4
239.06085	3.3
245.05063	3.5
247.02995	5.1
247.06694	10.0
249.08330	2.2
259.06775	2.7
264.82047	1.2
271.06653	3.0
275.06107	1.6
277.04361	2.2
277.07645	26.3
277.10669	1.4
278.07834	1.7
295.08716	100.0
296.08902	5.1
318.10413	4.3
319.05130	2.0
337.09476	70.0
338.09644	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.6
71.82887	1.5
81.47268	1.4
82.99878	1.9
85.02891	1.5
98.97576	5.9
100.09994	1.4
101.00867	6.4
103.02441	10.4
112.99108	2.1
113.00828	1.5
115.02451	3.2
116.98615	4.3
119.01915	15.7
120.04800	1.5
121.03477	6.3
127.02420	2.2
128.98572	2.9
131.00189	4.4
131.01888	11.0
133.03458	56.8
134.03548	1.6
134.99664	2.7
137.02928	1.5
143.01889	4.0
145.03461	22.6
146.99692	2.8
147.01424	2.1
149.01227	2.5
151.04504	34.2
151.05627	2.4
155.01880	11.8
156.05086	1.5
157.03459	17.3
158.03568	2.1
158.99634	2.0
159.05022	5.2
161.02934	8.7
163.02737	1.9
163.04570	4.2
169.03484	3.0
171.01355	2.2
171.05025	5.5
173.02943	15.3
175.04501	39.6
175.05916	2.5
177.00746	2.0
177.06114	2.2
181.03503	3.7
185.02914	4.2
187.02885	2.9
187.04491	21.6
189.00835	1.6
189.02530	3.7
189.06122	8.4
191.04048	1.6
191.10216	1.9
193.03583	1.9
193.05617	3.0
199.04573	5.6
201.06071	22.2
203.03979	2.3
211.04532	18.3
211.06474	2.3
217.02003	16.9
217.05537	23.4
219.07185	1.7
221.05106	4.5
229.01860	7.8
229.05606	4.1
235.03021	9.4
235.06711	6.4
237.02863	3.5
239.06038	2.4
241.74036	1.4
247.02986	6.4
247.06635	5.6
255.28621	1.5
259.06552	2.0
263.00677	3.6
271.06512	1.7
277.07681	22.2
277.18292	1.3
289.08017	1.5
295.08749	81.5
296.08905	1.7
310.35120	1.6
318.10364	3.6
319.05258	3.1
337.09222	100.0
338.09863	2.8
355.09180	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.05503	21.8
56.96559	11.8
57.03427	5.7
57.07064	6.1
64.89575	3.6
67.05492	34.4
67.41451	4.0
69.07063	20.4
71.05012	4.1
71.61658	5.4
79.05488	37.5
81.07053	88.0
83.04977	17.7
83.08624	7.2
91.05473	50.7
93.07041	54.3
95.04948	30.4
95.08605	49.2
97.06537	6.8
100.02477	7.4
105.07019	100.0
107.08573	48.4
109.06499	16.5
109.10143	20.2
111.04443	7.3
115.05492	4.8
117.06996	16.9
119.08585	66.4
121.06542	5.0
121.10157	33.9
123.08055	10.8
123.11716	9.4
128.06192	19.4
129.07005	25.8
131.08557	46.7
133.10117	42.2
135.08034	9.6
135.11668	9.2
137.09615	9.7
141.06979	8.8
142.07751	28.4
143.08546	86.9
144.09283	5.5
145.06448	4.9
145.10141	27.4
147.08026	6.0
147.11665	29.2
149.09616	10.9
155.08516	9.3
156.09326	10.8
157.10123	79.2
159.11687	41.4
161.09604	13.6
161.13214	21.4
169.10117	6.0
171.11667	30.4
173.13255	12.4
175.11180	16.5
175.14807	4.7
177.12773	7.3
180.51442	3.5
184.12531	5.1
187.14786	4.4
189.16466	18.2
199.14804	96.3
200.15016	4.6
209.11688	7.4
217.15871	64.2
235.17038	7.7
261.67358	6.4
277.17966	9.0
296.18011	4.4
305.19061	14.6
316.69586	6.8
337.22473	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	337.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
54.88047	0.3
55.01873	0.8
55.05507	27.0
56.96553	2.6
57.03432	18.7
57.07075	3.3
65.03933	2.0
67.05497	58.6
68.05812	0.8
69.03416	0.8
69.07060	33.4
70.07391	0.4
70.65716	0.7
70.66115	0.9
71.04977	1.4
71.08624	1.7
79.05485	16.5
80.05817	0.5
81.07047	58.4
82.07377	0.9
83.04969	1.5
83.08611	16.3
83.09107	0.8
85.06527	2.1
85.10183	0.4
91.05468	10.8
92.05798	0.4
93.07037	15.3
95.04951	1.7
95.08596	42.2
96.08926	0.8
97.06503	3.9
97.10159	8.0
99.08089	1.4
101.10865	0.4
105.07022	8.4
107.08586	8.9
109.06502	1.5
109.10139	14.5
111.08078	2.0
111.11703	1.5
113.09647	0.6
115.07500	0.6
116.31005	0.3
117.06969	0.6
119.08567	8.0
121.10128	6.5
123.08070	1.4
123.11694	6.7
125.09632	1.2
127.11226	0.6
131.08546	1.6
133.10110	8.4
133.11064	0.6
135.11674	4.1
137.09586	1.1
137.13272	2.6
139.11168	0.8
142.07756	0.8
143.08534	1.3
145.10138	0.9
147.11670	4.4
149.13211	1.9
149.56569	0.4
151.11188	0.6
151.14848	1.1
153.12750	0.4
157.10126	0.9
159.11661	0.6
161.13239	3.8
162.13631	0.4
163.14789	2.0
165.12708	0.5
165.16537	0.4
166.66101	0.4
167.14217	0.4
171.11641	0.4
175.14803	2.6
177.16353	0.6
189.16360	1.0
193.15851	0.4
195.93332	0.4
199.14856	1.0
217.15889	0.8
234.12383	0.4
245.22687	1.3
246.14473	0.8
261.22015	0.4
263.23651	2.6
264.15494	0.4
305.18106	2.4
305.68439	0.8
314.18961	0.7
316.69116	1.6
317.19296	0.7
337.27322	100.0
338.27628	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	337.2729
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03933	1.0
55.01862	0.9
55.05502	24.8
56.05822	0.3
56.96550	0.2
57.03428	16.9
57.06777	0.2
57.07067	4.0
58.03765	0.2
58.33038	0.2
59.04987	0.2
65.03927	1.6
67.05493	54.4
68.05830	0.7
69.03417	0.4
69.07056	34.4
69.35138	1.7
70.07396	0.5
71.04987	1.5
71.08627	1.4
73.06534	0.3
77.03892	0.3
79.05477	13.7
80.05822	0.2
81.07042	52.2
82.07379	0.8
83.04964	1.7
83.08602	15.7
84.08945	0.3
85.06522	1.4
85.10182	0.6
88.92275	0.2
91.04874	0.3
91.05463	8.1
93.07027	13.8
94.07351	0.2
95.04955	1.7
95.08590	38.8
96.08923	0.8
97.06511	3.1
97.10153	8.3
98.10465	0.2
98.21102	0.8
99.08071	1.3
101.05995	0.3
105.07010	6.1
107.07846	0.4
107.08572	7.7
109.06480	0.8
109.10136	15.0
110.10477	0.2
111.08067	2.2
111.11695	1.8
113.09640	0.4
115.07539	0.3
115.10152	0.2
117.06976	0.2
119.07684	0.2
119.07861	0.1
119.08559	5.3
121.10123	6.4
123.08060	0.7
123.11687	6.3
125.09607	1.3
127.07558	0.3
127.11135	0.2
129.09120	0.2
131.08540	0.4
133.10106	6.1
135.11662	3.4
137.09618	0.8
137.13231	2.6
139.11172	0.6
143.08534	0.2
145.10153	0.3
147.11664	3.7
149.13226	1.9
151.11157	0.5
151.14799	1.2
153.12741	0.8
157.10071	0.2
161.13228	2.8
163.14803	1.9
165.12781	0.3
165.16370	0.2
167.14313	0.3
175.14810	1.9
177.16367	0.6
178.60202	0.2
179.14218	0.3
179.17941	0.4
181.15909	0.2
189.16370	0.9
193.15884	0.4
203.17923	0.3
207.17363	0.3
222.25652	0.2
245.22643	1.5
263.23669	2.6
264.23831	0.2
337.27301	100.0
338.27652	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	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
56.96558	0.4
61.81393	0.4
67.05509	0.5
69.03413	0.6
69.44269	4.0
70.06578	0.5
71.04981	0.5
75.62683	0.4
79.05453	0.5
81.07043	0.5
85.02879	1.0
89.03896	1.4
91.05461	1.7
93.07019	0.5
95.01305	0.7
95.04959	0.8
97.02875	0.6
97.50591	0.4
103.05456	1.1
105.07004	0.7
107.04935	0.8
107.08571	0.5
113.05927	0.5
115.05456	0.7
117.03370	3.8
117.06935	0.6
118.89902	0.4
119.04940	4.1
121.02856	1.4
121.06544	0.4
122.06039	0.6
123.04400	3.2
129.03362	0.4
131.04901	2.4
133.06454	0.7
135.04404	6.8
136.07526	0.4
137.05940	0.5
139.03897	0.9
141.01904	0.8
143.04869	0.5
145.02827	7.1
145.06441	0.7
147.04390	35.3
148.04794	0.5
149.02316	3.5
149.05960	1.7
151.03851	0.8
154.08586	0.8
157.02890	0.5
159.04391	2.1
161.05937	1.3
163.03889	32.9
164.04231	0.8
164.07043	1.0
165.05540	0.5
173.06030	0.6
175.03909	3.1
176.07004	0.5
177.01865	4.6
177.05441	13.2
182.08087	0.8
185.05942	0.6
187.03831	2.9
189.05431	1.1
191.03421	1.2
201.05449	1.0
203.03372	100.0
204.03735	2.5
205.03404	0.5
205.04971	5.3
212.00873	0.4
213.05486	0.5
215.03354	4.9
219.02895	1.6
219.06355	0.4
221.04413	0.6
221.08118	1.3
229.04907	3.1
231.02859	13.0
231.06314	0.6
233.04443	3.7
247.02231	0.4
247.05922	1.0
257.04239	0.7
259.06335	0.5
261.03918	7.3
279.02145	0.8
279.04980	8.9
291.04968	7.8
321.05978	0.8
323.64206	0.4
339.07242	2.3
339.10446	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.5
60.26719	0.8
67.98370	0.7
69.03423	1.9
69.88770	5.2
81.07021	0.9
83.05000	0.9
84.08151	0.9
84.29883	0.8
85.02891	2.8
89.03902	1.4
91.05475	4.2
97.02901	2.2
98.97599	1.2
101.44279	0.8
116.98628	0.8
117.03362	1.1
119.01847	1.3
119.04939	9.0
123.04396	2.3
133.02795	0.9
134.99635	1.2
135.04433	4.7
136.07559	1.2
137.05940	1.2
139.03888	1.1
145.02843	2.3
147.04393	37.2
148.04739	1.4
149.02277	1.4
158.05975	1.2
159.04370	2.5
162.05424	1.2
163.03882	19.2
164.04173	1.6
164.07114	0.9
175.03934	1.2
176.07045	6.1
177.05421	2.2
179.03510	0.9
185.04234	2.0
186.05507	1.0
187.03931	2.8
195.05003	1.8
203.03410	8.5
204.06642	4.1
205.04926	1.0
221.02945	1.2
221.04791	1.1
222.07634	1.4
237.02710	1.3
255.01866	1.4
255.07256	0.9
273.03085	1.1
285.11304	0.9
292.91574	0.9
339.10461	100.0
340.10416	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	339.107
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
61.09873	0.3
61.38700	0.3
64.17743	0.3
65.03939	1.1
69.03412	0.3
69.28748	1.3
69.29175	1.5
70.06573	0.3
71.04958	0.3
73.33827	0.3
79.05463	0.4
79.49744	0.2
80.93295	0.3
81.07048	0.6
83.04969	0.4
85.02884	0.5
91.05471	11.4
95.04933	0.8
95.08595	0.3
97.02864	0.4
98.97565	0.6
101.19725	0.3
110.06030	0.4
116.98579	0.4
119.04929	26.6
120.05267	0.8
122.05998	1.0
124.07570	0.7
131.04848	0.3
134.05995	0.7
134.71719	0.3
135.04414	0.3
136.06418	0.4
136.07536	3.5
139.03842	0.3
140.07048	0.6
147.04391	100.0
148.04721	3.2
152.07036	4.2
157.18031	0.3
163.03900	1.3
164.07047	4.6
165.05496	0.3
170.08089	0.6
177.05486	0.9
179.03383	0.4
182.08121	1.0
202.11653	0.2
203.03404	1.9
212.02251	0.2
237.02747	0.4
289.07925	0.4
303.13278	1.9
321.14450	0.8
339.11716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.01859	4.1
55.05490	8.1
56.96545	7.2
57.03413	3.2
57.07053	3.4
61.02922	4.0
63.30358	2.9
65.03925	2.8
67.05497	34.6
69.03403	8.1
69.07066	14.7
70.06576	7.3
70.86479	4.5
71.04987	65.0
73.06544	9.2
79.05473	5.5
81.03400	4.2
81.07052	72.1
83.04941	4.1
84.08128	6.4
85.02901	21.3
85.06548	17.3
86.09669	3.7
91.05489	13.3
95.04938	3.9
95.08596	11.9
97.02881	7.1
97.06520	4.9
97.10178	3.4
98.97544	4.6
99.04452	2.7
99.08122	4.0
105.07025	6.8
107.04918	7.9
107.26971	2.1
110.06030	4.9
115.07554	24.3
119.04926	27.3
122.06007	17.1
123.04378	6.6
123.11676	19.1
127.03913	4.4
130.06425	2.7
131.04924	5.3
133.06409	2.6
134.05977	9.8
134.99661	3.5
135.04376	5.9
136.06151	5.9
136.07591	6.1
137.06003	2.4
138.05458	2.5
139.03914	6.1
141.09189	2.7
141.12732	95.2
143.07031	48.5
144.76881	2.2
145.02834	5.6
147.04395	100.0
147.11635	2.1
148.04813	7.0
149.04865	2.5
149.05997	4.0
150.05496	12.0
151.03854	3.5
152.07086	4.7
154.08644	3.1
155.03369	4.2
159.12520	4.0
159.13795	76.1
160.07532	2.7
161.05922	2.7
161.08093	14.5
162.05388	5.2
163.03882	25.5
164.07076	7.5
168.06583	2.5
172.07387	2.6
172.09711	2.7
174.05501	2.8
176.07045	5.9
177.00636	3.4
177.05417	18.1
177.14830	40.1
178.08614	7.5
179.03346	10.1
182.08142	5.3
186.05542	3.3
188.07088	2.1
191.03432	4.0
203.03334	24.1
204.06572	4.9
205.05019	2.6
205.09709	4.9
210.02289	5.7
215.08107	9.9
217.09557	2.8
219.03004	14.2
231.02888	3.4
233.09189	3.0
237.02795	5.5
238.05281	5.3
239.02213	5.0
243.07697	18.9
243.09862	3.7
246.07448	2.7
257.03329	6.0
261.08771	9.9
265.56137	2.6
279.04932	16.7
279.09625	2.7
289.08194	13.4
303.10001	3.1
303.13303	5.8
307.09229	8.8
321.10767	4.1
321.14511	5.9
339.11523	16.3
339.15683	10.9
339.26767	2.9
340.10324	6.1
340.82394	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.8
57.07061	15.6
60.09052	1.9
60.95834	3.2
67.05495	13.8
69.03415	3.1
69.07052	7.1
69.98515	8.6
70.06578	4.8
71.04984	2.5
71.08607	5.9
71.61280	1.8
73.06541	17.1
75.41322	1.7
79.05456	6.3
81.03381	2.3
81.07047	19.5
82.07397	2.9
83.04977	10.2
83.08608	4.3
88.07602	6.9
91.05447	8.5
93.07043	10.6
95.04942	3.9
95.08588	12.3
97.02862	3.7
97.99179	1.9
98.21066	4.5
102.09117	2.3
105.07023	10.4
107.04919	2.6
107.08586	9.4
109.06532	2.7
109.10115	8.8
111.04419	2.7
111.68836	2.0
116.98595	3.4
119.08548	7.3
121.06472	3.8
121.10100	8.1
123.04401	8.8
123.08076	3.8
123.11666	2.2
131.08539	4.3
133.10101	9.0
133.53850	1.9
134.99660	4.6
135.08148	2.1
135.11679	4.7
137.13214	2.1
143.08537	2.1
145.10046	5.5
147.08014	3.2
147.11678	6.2
149.02301	17.6
151.07465	4.5
157.10123	2.7
159.11649	3.6
161.09558	2.1
161.13200	3.9
171.11716	3.1
173.13126	2.4
174.91521	1.9
175.14748	2.0
177.05423	2.6
187.14795	2.6
190.93990	1.9
193.04944	38.4
194.05272	3.0
194.87860	1.8
207.13768	2.0
219.13789	4.2
224.65616	14.2
225.16022	2.6
230.24672	3.4
256.26328	9.5
261.18619	2.3
271.17023	2.2
274.97513	2.9
283.16898	4.8
289.17947	30.4
292.98587	5.0
307.19009	18.2
321.20874	2.3
339.18713	4.3
339.23022	5.1
339.27588	100.0
339.77814	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.18042	0.4
53.03937	1.3
55.05506	43.0
56.05833	0.7
57.03426	1.9
57.07070	2.4
59.05006	0.5
64.64371	0.4
65.03943	0.5
67.05216	0.5
67.05505	5.8
69.03426	2.4
69.07062	17.5
71.04979	1.2
71.06739	1.1
71.08614	0.4
73.06556	1.0
77.44254	0.4
77.52560	0.4
79.05486	2.3
81.03391	0.4
81.07050	21.5
82.07381	0.4
83.04985	0.7
83.08616	3.8
85.02890	0.5
85.06548	2.4
87.08099	1.6
90.43140	0.5
91.05469	1.4
93.07037	5.5
95.04963	1.7
95.08598	30.7
96.08917	0.9
97.06519	1.5
97.10159	100.0
98.10488	1.8
99.04440	0.5
99.08080	1.1
101.06017	1.8
105.07027	5.3
107.08580	6.4
109.06525	1.5
109.10145	11.0
111.04544	0.4
111.08081	0.9
111.11711	1.1
113.09604	0.6
119.08575	4.8
120.08909	0.4
121.06507	0.5
121.10127	6.5
123.08044	1.4
123.11691	6.0
125.09619	18.6
126.09984	0.6
131.08510	0.5
133.10100	2.7
135.08075	0.7
135.11674	3.6
137.09610	3.9
137.13240	2.0
139.11150	3.1
141.09119	1.0
143.10661	38.1
144.10971	0.9
145.10136	2.1
147.11723	2.8
149.09554	0.4
149.13249	3.7
151.07565	1.1
151.11189	1.5
151.14807	5.4
153.09059	0.5
153.12772	0.7
155.10620	0.7
157.10132	0.5
157.12241	1.5
159.11696	2.0
161.13251	3.1
163.11145	0.6
163.14738	1.0
165.09096	6.0
165.12706	2.1
167.14349	1.7
169.15887	0.5
171.10176	3.6
173.13297	1.2
175.14813	1.0
177.05412	0.7
177.12746	2.1
178.05006	0.7
178.13525	0.5
179.10670	1.0
179.14301	5.0
183.09988	0.4
187.14790	1.7
189.11200	11.1
189.12883	0.8
189.16423	0.7
195.13834	1.7
201.16388	0.5
205.15807	0.9
219.08061	0.5
235.16769	0.6
247.17087	0.5
251.16505	0.5
257.22766	0.5
275.23767	1.3
277.21683	1.5
285.22150	1.5
287.33505	0.4
291.23276	0.5
293.21509	0.4
293.24829	1.2
303.23181	8.2
307.09671	0.5
309.24228	1.6
311.13028	0.6
321.24207	40.0
322.24448	2.5
339.12375	2.8
339.15625	0.5
339.25333	8.0
340.12665	0.5
340.25482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03930	1.5
55.05503	40.5
56.05839	0.8
56.96547	1.2
57.03429	1.2
57.07057	1.5
59.04998	0.9
67.05495	4.8
69.03419	1.3
69.07059	15.9
71.04975	1.8
71.13326	0.4
71.13665	1.0
73.06514	0.5
79.05485	2.7
81.03416	0.8
81.07044	16.3
83.04999	0.7
83.08614	3.3
85.06543	2.3
87.08092	1.0
91.05470	2.6
93.07037	6.5
95.04967	1.6
95.08595	21.8
96.08935	0.5
97.06517	1.0
97.10157	100.0
98.10489	3.1
99.08086	0.7
100.11246	0.5
101.06026	1.1
105.07021	5.5
107.08579	7.4
109.06507	1.3
109.10141	8.5
110.06985	0.4
111.08057	1.0
111.11696	0.7
113.09666	1.0
119.08559	6.1
121.10129	4.8
123.08063	1.2
123.11697	5.5
125.09617	16.5
126.09944	1.1
131.08546	1.3
133.10127	3.3
135.08067	0.6
135.11691	5.4
137.05974	0.6
137.09576	2.4
137.13242	1.8
139.11194	2.6
141.09132	0.6
141.12770	0.8
143.10655	42.6
144.10995	0.9
145.02844	0.6
145.10114	1.7
147.11691	3.9
149.09570	0.7
149.13251	4.4
151.11168	1.5
151.14769	3.3
153.12677	1.1
157.10152	1.1
157.12271	1.2
159.11662	2.9
161.09634	0.5
161.13235	4.0
163.11240	0.8
163.14781	1.0
165.09082	3.5
165.12714	2.7
167.14264	0.7
169.10150	0.5
171.10167	3.3
171.11571	0.9
173.11835	0.5
173.13251	1.5
175.11160	0.9
175.14854	0.8
177.05449	2.4
177.12779	1.5
179.10619	0.5
179.14278	1.7
181.12395	0.5
185.13280	0.6
187.10954	0.5
187.14847	1.4
189.11198	14.4
189.12889	0.7
189.16368	0.6
190.11490	0.6
191.08571	0.5
191.14380	0.6
193.15823	0.5
195.13838	0.9
199.14810	0.5
203.05899	0.8
205.15845	0.5
205.27960	0.5
209.15263	0.7
217.06696	0.4
219.08086	0.6
223.16878	0.5
229.19302	0.6
247.07607	0.5
249.08035	0.6
261.08997	0.6
264.07956	0.8
267.09021	5.2
267.21115	0.6
275.23837	1.3
277.21597	2.2
285.10028	7.3
285.22122	3.4
290.10788	0.6
291.23019	0.7
292.07065	0.6
299.11679	1.7
303.23148	11.2
303.26334	0.8
304.23703	0.5
307.09683	1.7
308.11813	0.7
309.24170	4.2
311.12796	1.4
317.12628	2.9
321.24207	24.9
322.24603	1.9
339.12289	5.1
339.15918	0.7
339.25522	5.9
340.13113	0.6
340.25806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0863
Annotation	AESCULIN
Peak:m/z	Relative Intensity
61.02912	0.3
62.15841	0.1
65.58898	0.1
65.71869	0.1
69.03426	0.8
69.32830	1.4
71.04986	0.2
81.03430	0.3
84.73453	0.1
85.02885	1.9
87.04481	0.2
89.03889	0.2
91.03917	0.2
93.00056	0.1
97.02885	0.8
98.20997	0.6
101.90836	0.1
105.03375	0.4
109.02866	0.3
117.03374	0.2
123.04416	7.1
124.28680	0.1
127.03902	0.3
133.02841	6.6
135.04393	1.5
137.05925	0.1
139.03979	0.1
145.04932	0.3
147.04404	0.2
148.04680	0.2
151.03888	3.0
179.03375	100.0
180.03712	1.3
191.43924	0.1
292.34137	0.1
341.08612	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0864
Annotation	Esculin
Peak:m/z	Relative Intensity
55.01859	0.2
55.05474	0.2
55.85522	0.1
56.96544	0.2
57.03433	0.2
59.33837	0.2
69.03415	0.4
71.63107	0.2
81.03410	0.8
81.07015	0.2
81.22828	0.1
82.05485	0.2
85.02899	0.9
85.52069	0.1
86.09675	0.1
87.69063	0.1
91.05433	0.3
95.04974	0.3
97.02877	0.4
103.05425	0.2
105.03383	0.6
105.07050	0.2
107.01318	0.7
107.04927	0.3
109.02872	0.6
116.98602	0.1
119.04925	0.5
120.05263	0.2
123.04436	0.7
127.03944	0.3
131.04892	0.3
133.02821	0.6
137.02281	0.2
137.05957	0.7
139.03877	0.4
147.04410	1.9
148.04704	0.3
149.04919	0.2
151.03925	2.0
161.01083	0.3
161.02333	3.8
163.03905	0.8
163.07518	0.2
166.08534	0.2
177.00725	0.2
179.03375	100.0
180.03708	1.1
187.07547	0.2
291.10110	0.2
323.12744	0.3
341.08408	1.8
341.11987	0.3
359.03046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
57.03422	0.4
61.02919	0.2
64.50284	0.2
68.99789	0.6
69.03419	1.3
70.06581	0.3
71.01364	0.3
71.04974	0.3
71.18922	0.4
72.08125	0.2
81.03404	1.3
81.07053	0.4
83.04977	0.4
84.08138	0.2
85.02883	0.7
91.05373	0.2
91.05815	0.3
95.04943	0.5
97.02885	0.5
99.04452	0.4
103.05450	0.4
105.03364	0.3
107.08595	0.3
108.23347	0.2
109.06509	0.2
111.04410	0.6
116.98584	0.2
119.04910	0.3
122.03624	0.3
123.04430	1.0
127.03874	0.6
131.04889	0.6
133.02812	0.9
133.06514	0.2
133.07550	0.3
135.04401	0.4
136.06226	0.3
137.02306	0.2
137.05966	2.8
139.03911	1.1
147.04408	1.4
151.03885	0.5
153.05434	0.2
155.03365	0.6
157.06511	0.2
161.05969	0.4
161.07130	0.5
161.09596	0.2
163.03882	1.6
163.07465	0.6
163.08717	0.3
165.05463	0.4
175.07533	0.4
177.05476	0.3
179.03374	100.0
180.03740	1.5
187.07555	0.9
189.09077	0.4
191.08328	0.3
207.07617	4.6
211.07521	0.2
217.08583	0.6
219.08018	0.2
227.06923	0.3
231.08026	0.3
248.08289	0.4
261.08926	0.2
263.10745	0.3
270.08762	0.4
271.09500	0.3
279.10056	0.4
288.88638	0.2
291.10120	1.1
311.12845	0.4
323.12506	2.5
341.08902	0.2
341.13577	2.9
348.06555	0.2
359.02884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
56.96569	2.8
57.07072	2.0
67.05487	4.2
68.99792	1.8
71.04988	5.5
71.61117	1.5
71.61563	2.7
79.05492	2.5
81.07049	7.1
83.04975	1.9
85.02884	2.1
91.05432	2.9
93.03416	2.9
93.07027	2.3
94.04199	2.2
95.04953	3.4
95.08642	4.2
97.06543	2.2
99.08093	1.6
103.05462	2.6
105.07042	5.3
107.08549	3.0
109.06518	2.3
109.10121	4.4
111.04454	3.3
115.05410	2.2
119.08573	4.4
121.02871	2.7
121.10152	3.9
122.03654	5.3
123.11729	2.9
128.06186	2.1
129.07010	4.8
131.04901	3.3
131.08549	1.7
133.02827	4.9
133.10138	2.5
135.11646	2.0
137.02339	8.7
137.05957	76.7
138.06297	2.2
144.05600	2.3
147.04402	3.4
147.08110	2.5
149.05963	5.0
151.03922	3.2
151.07539	4.4
153.01811	7.5
157.06535	3.2
161.05966	4.4
163.03917	2.0
165.05467	3.8
172.05156	3.2
174.06770	4.1
175.03862	2.5
175.07497	17.2
177.05518	3.8
179.06915	2.4
185.01277	1.7
187.07516	29.2
188.93973	1.7
189.09117	10.9
191.08556	3.8
196.05182	3.6
197.06018	2.5
199.07564	2.9
202.07762	2.8
203.03355	3.3
203.08507	8.8
205.06459	1.6
210.03922	1.9
211.07510	11.9
213.05388	4.4
217.08530	14.9
219.08063	6.4
220.08803	4.7
221.09714	2.2
225.05342	1.8
227.07002	14.9
231.08049	12.4
236.08202	1.7
237.09058	2.2
239.06973	12.2
240.07809	6.6
241.04845	2.1
241.08589	2.1
247.07607	5.8
248.08275	15.0
249.09073	3.5
251.10666	6.7
253.08675	2.2
255.06526	9.3
256.07291	6.4
259.07733	3.0
260.08444	1.9
261.09128	2.6
263.07867	2.1
263.10632	16.2
265.08502	3.8
268.07346	3.9
269.04355	3.2
269.07779	2.1
270.08807	26.1
271.09607	28.9
272.05600	2.6
273.03909	3.2
274.04684	6.6
276.07819	9.4
277.08484	3.4
279.07541	2.0
279.10150	11.9
280.10648	1.8
281.11728	2.3
283.09683	9.8
287.05475	6.6
291.10120	41.7
292.10727	4.7
293.07977	3.3
296.05615	2.8
296.10416	4.5
296.48306	1.8
297.03952	6.0
297.11285	2.9
300.05185	2.2
301.03143	2.3
302.04166	30.0
308.10416	6.6
309.11050	5.2
311.09570	1.8
311.12616	10.2
313.07004	3.2
313.14343	2.1
314.06708	3.4
315.04886	9.0
323.12711	36.0
323.16254	3.1
324.05161	3.5
341.02753	3.6
341.06580	26.0
341.13644	27.2
342.06042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01860	1.1
56.34981	0.7
60.70319	0.7
67.05472	1.0
69.03426	0.6
70.06579	0.8
70.16006	2.1
70.16421	1.3
71.05016	0.9
79.05482	2.1
81.07032	2.1
83.04968	0.6
84.08151	1.0
85.02901	0.8
86.09693	0.7
90.63493	0.7
91.05476	2.5
93.07044	0.6
94.04166	2.8
94.27879	0.7
95.04924	1.2
98.20977	1.3
103.05452	2.1
105.07012	1.1
107.04943	1.9
107.08579	0.9
107.51363	0.6
109.06514	2.1
111.04405	1.5
115.05426	1.8
117.07044	0.7
119.04926	1.7
120.07944	0.6
121.06481	0.7
122.03652	6.0
122.06068	0.8
123.08167	0.6
125.05942	1.1
128.06235	1.4
129.06995	8.7
131.04930	4.5
131.08600	1.1
133.02832	0.7
133.10124	1.0
137.05965	100.0
138.06313	1.5
143.04942	0.8
143.08519	1.4
144.05687	2.6
145.06490	1.5
146.07127	0.8
147.04364	3.1
149.05965	2.0
151.03865	1.9
151.07487	3.8
153.05457	1.9
157.06506	4.5
158.07248	1.6
159.04497	0.8
160.05150	1.6
161.05954	2.4
161.09601	1.3
163.07542	3.0
164.96648	0.6
165.05467	2.8
165.06876	0.8
167.06984	1.2
172.05167	5.3
173.05930	1.3
174.06758	12.7
175.07532	6.4
177.05495	1.3
177.08984	0.7
179.03412	1.0
179.07018	1.9
179.10612	0.7
187.07530	37.6
188.08162	1.6
189.09088	13.4
190.07707	1.1
191.06985	1.4
191.08554	3.4
192.09009	0.7
199.07527	4.2
202.07790	2.8
203.08553	13.8
204.08969	0.9
205.06493	1.6
205.08351	0.8
207.08012	1.2
208.08820	1.9
211.07581	3.5
217.06517	1.2
217.08585	19.0
218.07227	1.5
219.08038	9.1
220.08765	4.7
221.06021	0.7
221.09598	0.9
225.74187	0.7
227.07027	6.5
231.08041	13.9
232.08778	4.0
233.05965	2.3
233.09592	1.8
234.06680	0.8
235.07536	2.4
236.08330	3.5
237.09163	2.8
239.07092	2.7
240.07768	2.4
241.08659	0.8
247.07472	8.4
248.08302	15.4
249.05446	1.0
249.09077	2.2
250.06313	1.4
251.10631	6.0
253.08603	3.1
255.06548	4.5
255.08841	0.7
256.07275	2.0
259.07559	5.4
260.08279	3.2
261.08963	4.2
262.10117	1.1
263.07104	1.8
263.10663	15.8
264.07813	3.4
265.08557	6.3
268.07294	1.0
269.08014	1.0
270.08865	11.7
271.09610	7.2
273.09186	0.8
276.07767	8.6
277.08505	4.1
278.09540	1.2
279.10123	14.0
280.10886	2.3
281.08081	2.8
283.09616	3.3
290.09338	0.8
291.10126	35.7
292.10623	3.3
293.08075	5.1
293.11194	1.3
295.09857	1.4
296.10416	8.0
297.11197	2.1
305.11774	1.1
307.09738	0.9
308.10385	4.2
309.11191	1.7
311.12775	15.3
323.12747	37.0
324.13321	1.3
341.13834	25.8
341.17941	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01872	5.8
55.05494	15.2
56.74121	3.5
57.07061	5.8
59.63935	3.8
61.01135	10.1
62.85194	4.0
67.05507	27.0
69.07054	19.2
79.05495	25.5
80.34373	3.7
81.03430	5.7
81.07045	100.0
83.04967	5.0
83.08614	8.3
85.06499	4.0
87.02677	14.2
91.05459	23.1
93.07016	23.7
95.04953	13.4
95.08102	3.9
95.08591	23.9
96.92765	3.8
97.10160	4.0
103.02214	4.3
105.07016	30.8
107.04943	8.8
107.08611	20.2
109.06471	11.1
109.10153	12.6
111.08085	9.2
117.07035	4.5
119.08573	18.3
121.06448	5.2
121.10136	13.6
123.08064	6.6
123.11682	6.4
128.63229	3.9
129.07297	15.7
131.08562	13.4
133.10135	17.0
135.11668	10.1
137.09657	4.8
145.10095	10.3
147.11687	20.1
149.09599	16.7
149.13211	4.8
151.11180	9.9
157.10098	5.9
159.11636	5.1
161.13210	5.3
163.11163	11.7
165.12628	6.3
171.11664	5.0
173.13214	5.6
175.11064	6.6
180.10828	3.8
220.25563	4.5
224.25688	4.5
227.95746	4.5
239.17900	6.2
257.19122	5.7
275.20047	55.6
293.21027	27.1
323.20392	20.0
341.21408	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01857	7.6
55.05506	18.2
57.07070	4.5
59.09564	2.5
61.01133	8.7
65.03931	3.6
67.05498	41.0
69.07057	34.9
69.28096	15.7
69.28529	14.0
71.04983	6.3
71.08595	3.4
71.32579	2.7
77.12354	2.6
79.05480	29.9
81.03397	7.6
81.07045	93.2
83.04959	10.6
83.08620	9.2
87.02670	11.3
89.04276	4.9
91.05456	29.0
93.07042	28.1
95.04965	16.3
95.08035	4.3
95.08595	36.2
97.06513	8.3
97.10187	5.3
98.20704	5.0
101.03710	2.5
105.06366	4.2
105.07021	48.5
107.04956	3.9
107.08571	18.3
109.06517	13.6
109.10155	24.7
117.07003	7.3
119.08576	23.3
121.06486	13.3
121.10101	13.9
123.08062	16.0
123.11724	7.1
129.07344	6.9
131.08537	13.3
133.10143	24.9
135.07999	4.9
135.11630	8.9
137.05994	3.7
137.09612	9.9
137.13309	3.2
145.10098	12.2
147.08032	3.3
147.11656	19.3
149.09593	8.8
149.13300	5.7
151.11153	8.2
152.11507	6.5
157.10086	3.3
159.11667	7.5
161.09621	2.9
161.13243	3.8
163.11160	6.1
164.36096	2.5
165.12672	3.6
167.85899	2.6
169.10150	3.1
171.11705	3.8
173.13216	5.6
175.11165	4.1
183.11729	3.5
185.09953	5.4
247.20493	3.2
257.19052	9.5
275.20026	100.0
293.21008	27.8
323.20410	44.9
325.36078	2.7
341.21353	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	341.2317
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
50.30206	2.7
53.03926	3.6
55.01862	14.7
55.05503	81.5
57.03422	8.6
61.72415	2.9
65.03932	2.8
67.05499	38.5
69.03410	10.9
69.07059	18.1
69.50840	25.4
71.04972	11.1
79.05489	36.1
81.03399	10.2
81.07037	59.9
83.04988	16.2
83.08608	46.4
85.06532	6.6
86.42090	2.6
91.05462	24.6
93.07027	25.3
94.04183	3.0
95.04952	13.0
95.08606	15.7
97.06515	23.3
97.10162	84.6
99.04493	4.3
105.07021	24.1
107.04935	3.3
107.08581	35.3
109.06496	7.9
109.10149	22.5
111.04421	22.8
111.08074	11.8
113.09632	4.1
117.06998	6.5
119.08561	13.3
121.06493	9.8
121.10114	12.5
123.08054	90.3
124.08366	4.0
125.09614	73.9
129.06981	5.2
131.08540	8.3
133.06421	4.6
133.10097	23.8
135.08003	11.3
135.11642	4.3
137.09584	29.6
139.11177	7.5
143.10699	3.6
145.10117	9.6
147.08025	8.7
148.82317	2.7
149.09569	5.7
151.11153	11.3
153.09070	10.2
153.12721	5.3
157.10161	3.8
161.09511	3.5
163.11142	7.8
165.09091	7.9
169.10147	3.2
171.10162	5.3
181.12115	6.6
189.11191	100.0
190.11588	3.1
191.10739	8.1
194.67735	3.0
199.11119	3.3
222.91431	2.7
223.13306	4.6
227.12810	8.2
231.86455	2.8
245.19046	4.0
249.14900	4.2
255.17320	3.9
265.79654	2.5
271.16946	3.0
273.18411	20.8
289.18121	4.1
291.19489	93.8
292.19885	5.0
309.20636	23.2
323.22076	9.5
341.28500	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01854	2.2
55.05260	2.2
55.05504	30.4
56.39027	1.8
56.96561	36.6
57.03417	2.4
57.07075	9.7
59.04983	3.0
61.02903	2.7
67.05495	24.9
69.03411	8.5
69.07057	48.1
71.04973	6.5
71.61810	2.0
71.62208	2.9
74.97578	2.5
77.03493	1.9
79.05479	18.0
81.03421	2.2
81.07045	100.0
83.04955	6.9
83.08600	12.4
84.96014	3.0
85.02882	6.1
85.06543	14.4
91.05415	10.6
93.07035	32.4
95.04947	6.9
95.08594	54.5
97.02865	2.0
97.06503	7.9
97.10158	34.1
99.08068	6.7
105.07021	22.1
107.08582	38.8
109.06495	7.4
109.10131	30.5
111.08068	6.2
111.11688	10.4
113.05975	2.4
116.03488	2.0
117.07010	2.9
119.08572	22.0
120.08884	2.6
121.06496	2.7
121.10122	28.1
123.08029	3.2
123.11694	89.8
124.12023	2.8
125.09624	5.0
128.06219	2.6
129.05450	2.2
129.06891	3.2
131.08514	6.4
133.06483	3.1
133.10110	14.6
135.08038	4.1
135.11674	15.9
137.05965	21.2
137.09605	2.8
137.13223	17.0
139.11168	22.7
140.84515	1.8
143.08516	4.6
143.10643	4.7
145.10112	10.6
147.03294	2.7
147.08032	2.1
147.11656	9.9
149.09595	3.5
149.13245	29.3
151.14767	2.3
153.12720	3.1
155.03864	1.8
155.14305	2.7
157.10127	3.6
157.12222	15.0
159.08014	3.1
159.11671	6.3
161.05975	5.7
161.09586	4.2
161.13239	6.8
163.14787	7.8
167.06958	2.1
171.11707	5.6
173.13232	5.7
175.07541	3.9
175.14804	4.0
187.07468	3.1
187.14867	4.1
189.05505	3.9
191.08450	2.6
195.11705	2.1
197.95926	1.9
199.14879	2.3
203.12703	3.8
203.17943	3.1
213.16267	2.7
217.08514	2.7
221.18964	2.4
222.61519	2.1
223.16989	2.7
224.13199	2.5
229.11688	4.3
235.16939	2.5
237.18465	3.6
238.12051	3.6
239.13591	2.9
249.18445	4.8
253.14685	2.9
256.13885	4.2
263.86435	2.0
264.13681	2.0
265.14462	9.8
265.64728	5.2
270.13687	2.7
271.09341	2.4
272.63953	2.1
274.15042	5.4
276.65302	6.5
277.25107	2.1
279.14310	3.9
279.64548	2.7
287.23660	5.1
288.14697	5.8
288.64795	2.8
290.65198	2.3
291.19403	2.5
293.24490	10.3
299.65381	4.5
300.15915	2.5
303.67154	2.4
305.24731	39.4
308.66055	6.5
309.11035	4.2
309.16431	2.5
311.25784	3.6
317.66507	10.7
318.16873	7.0
320.16721	2.3
323.12787	3.3
323.25848	15.1
327.14633	2.9
329.17627	2.9
329.67282	2.1
341.02731	4.1
341.10095	4.5
341.13760	7.7
341.18936	6.2
341.24503	3.3
342.14072	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	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.03423	5.9
57.10999	0.5
59.04973	0.6
61.02913	1.5
63.81277	0.4
69.03424	3.6
70.63464	1.0
71.04977	1.7
71.08621	2.2
73.02916	0.6
79.05486	0.6
81.03398	1.9
81.07045	3.2
83.04958	0.6
85.02890	14.4
85.06531	0.7
91.03964	0.7
91.05392	0.6
97.02881	3.7
99.04434	0.9
99.08080	12.5
100.08430	0.5
101.05976	0.5
109.02885	1.9
109.06519	2.9
109.45702	0.4
117.03388	0.6
117.09112	100.0
118.09458	1.0
119.04900	0.5
123.04399	1.7
127.03876	2.8
127.07528	4.5
133.02795	0.5
134.05984	0.4
134.99707	0.4
135.04399	1.7
137.36520	0.4
145.02792	0.8
145.04906	2.3
145.06528	0.5
145.08597	0.6
145.71187	0.4
147.04370	1.9
151.03754	0.4
162.05484	0.8
163.03885	11.5
163.06012	0.7
163.09627	18.8
178.08691	0.7
179.03358	1.2
180.03743	1.0
180.06566	1.0
189.05444	0.7
199.70850	0.4
206.08147	1.3
342.11652	1.2
343.13696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05262	0.4
55.05507	6.3
55.12030	0.3
57.03422	0.8
57.07067	11.6
59.04979	0.4
61.02899	1.4
67.50156	0.3
69.03419	3.2
69.82443	0.8
69.82861	1.6
70.06560	0.5
71.04982	0.7
73.02908	0.8
81.03403	1.7
83.08614	2.5
85.02898	13.2
87.04440	0.6
89.06023	31.6
90.34759	0.4
91.03915	0.6
97.02879	3.3
98.21191	1.0
99.04425	0.8
100.08205	0.4
101.09646	14.0
107.07056	33.2
108.19433	0.4
109.02862	0.7
114.53321	0.3
127.03928	1.8
130.08678	0.4
137.05995	1.1
142.12263	0.7
145.04935	2.4
145.12184	1.0
153.01773	0.6
163.13277	100.0
164.13698	0.5
172.94806	0.3
189.01945	0.4
213.05292	0.5
241.04991	1.3
268.06061	0.8
269.04425	1.8
296.05661	0.5
297.03802	2.0
302.04019	0.5
314.06607	0.5
315.04990	1.3
325.03275	0.8
342.06100	8.9
342.10202	0.7
343.04364	12.3
361.43042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	16.8
55.05495	17.8
56.96553	3.4
57.03431	8.1
65.03930	3.2
67.05495	75.8
69.03434	4.7
69.07066	25.2
71.04985	8.8
71.62309	5.0
71.62698	4.5
79.05492	23.1
81.03397	4.2
81.07047	55.3
83.04986	15.9
83.08617	4.9
85.02883	3.9
85.06540	9.8
89.57326	3.2
91.05470	51.3
93.07026	39.0
95.04977	15.4
95.08585	15.7
97.02862	3.7
97.06518	83.6
98.06848	4.2
99.04450	6.5
99.08130	3.2
105.07011	58.9
107.04877	5.3
107.08575	52.5
108.08910	3.0
109.06509	14.1
109.10140	94.8
110.10431	5.7
110.67490	3.1
111.08076	13.7
112.83818	3.0
113.05986	6.2
117.06994	4.7
119.08578	10.7
121.06478	3.8
121.10136	5.4
123.04403	3.2
123.08071	5.7
123.11692	15.1
127.07533	3.5
131.08553	7.3
133.06561	3.2
133.10118	100.0
133.11069	6.5
135.08034	4.3
135.11685	4.8
145.10066	6.5
151.11168	56.2
152.11507	3.7
159.11699	3.7
161.09601	3.9
169.12244	14.3
179.10606	3.6
185.13400	3.8
214.23642	3.2
271.16901	4.7
289.18051	22.2
307.18988	5.3
342.25305	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	342.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05503	16.1
55.85718	2.6
57.03417	4.5
57.07074	3.2
67.05495	26.5
69.03412	3.1
69.07050	10.0
69.79620	16.6
71.04987	29.9
71.17545	3.0
79.05476	24.9
81.03402	7.7
81.07052	59.8
83.04978	5.0
83.08607	13.5
85.06519	4.2
91.05472	16.2
93.07030	23.3
95.04957	9.3
95.08603	25.1
97.06523	4.9
98.20784	3.9
99.08098	2.7
105.07030	19.4
106.07786	2.9
107.04962	11.5
107.08606	14.8
107.12357	2.7
109.06499	18.6
109.10143	8.6
111.04431	12.7
111.08059	3.9
113.09663	4.1
117.06981	5.1
117.57715	2.9
119.08590	18.0
121.06441	6.2
121.10120	11.6
123.08035	7.7
123.11700	6.5
125.09602	5.2
129.07019	3.7
131.08563	11.4
133.10124	16.0
135.11697	6.3
137.09612	4.6
145.10153	8.6
147.11636	13.3
149.09613	9.9
151.11168	4.1
159.11707	4.7
161.13300	3.1
163.11110	7.1
164.23537	2.7
165.12686	4.2
171.11708	3.3
173.13216	4.9
175.11217	4.3
229.19447	4.5
247.20615	3.1
251.80257	2.9
257.18900	6.5
275.20035	100.0
293.21082	34.0
307.22665	40.5
343.46829	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65500	1.6
53.03957	1.4
55.01864	6.0
55.05504	44.8
57.03437	1.8
67.05490	17.4
69.03416	5.8
69.07063	21.0
69.47993	12.8
71.32522	1.3
74.81390	1.3
79.05051	2.3
79.05485	29.6
81.07050	17.6
83.04961	3.3
83.08609	29.9
91.05466	12.2
92.04870	1.2
93.07034	17.9
95.04962	3.2
95.08592	11.5
97.06528	3.6
97.10159	73.8
105.07008	11.8
107.04971	1.8
107.08580	86.3
109.06517	2.4
109.10147	5.7
111.08079	2.8
117.07002	5.1
119.08526	7.0
121.06401	1.6
121.10138	2.9
123.08051	2.7
124.11224	2.2
125.09616	80.6
126.09927	2.1
131.08580	4.1
133.10110	8.6
135.08037	17.7
135.11658	3.5
139.90465	1.6
145.10121	10.3
147.08003	1.5
147.11688	6.7
149.09601	3.6
151.84700	1.4
153.09085	14.0
157.12244	5.3
159.11678	5.5
161.13290	2.6
163.11169	4.9
171.10153	5.2
171.11646	3.3
173.13173	2.3
177.12738	1.6
181.12201	3.1
185.11678	1.7
203.12758	100.0
239.17995	2.3
257.18985	11.8
275.20023	31.8
289.21539	17.9
298.51645	1.5
303.42471	1.6
307.22595	13.6
343.22662	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	343.1536
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
55.01849	3.4
57.03421	1.3
57.30480	1.4
58.06565	1.8
65.03927	2.7
67.05479	2.9
69.03410	4.0
70.06575	1.9
79.05497	7.1
81.03392	1.9
81.07026	4.9
83.04947	1.4
85.02892	3.5
86.09676	3.0
91.05457	19.7
93.07011	3.8
94.04157	1.4
95.04967	7.9
97.02845	1.6
97.78072	1.2
102.04665	3.3
103.05458	20.0
105.03380	2.4
105.07021	13.8
106.04140	4.2
107.04940	31.2
107.08544	2.6
109.06494	3.8
115.05422	11.1
117.06992	4.6
119.04900	4.6
119.08569	1.5
121.06495	5.1
121.10124	1.9
122.03606	6.4
122.07266	8.2
123.04413	1.3
125.05966	1.8
128.62312	1.4
129.06973	1.5
130.04146	7.8
131.04921	17.2
131.08572	2.3
133.06477	14.0
135.08023	6.3
137.05959	82.7
138.06279	3.0
141.06944	2.8
143.04843	2.8
145.04930	1.9
145.06476	4.1
145.07515	1.4
145.10098	2.8
146.03575	2.7
147.04391	14.2
147.08023	3.7
148.03894	8.7
148.08762	2.5
149.05994	11.2
151.03877	3.0
151.07515	9.3
157.06412	1.8
158.07172	3.9
160.05153	2.6
161.05969	40.2
162.06750	25.0
163.07541	40.6
163.11168	10.7
164.07928	2.3
165.09155	3.3
166.05040	6.8
167.07045	1.6
167.08458	2.5
169.06448	3.2
173.09583	4.5
174.06825	1.6
175.07507	32.5
176.07994	1.5
177.05450	3.0
177.06895	2.0
177.09067	4.2
178.07808	1.9
179.08511	2.9
179.10623	3.0
181.06375	1.9
181.08495	10.1
181.10037	1.9
181.12181	3.7
183.08008	1.4
187.07539	1.8
189.07040	2.0
189.09079	1.9
190.07794	3.4
191.03326	3.9
191.08566	1.8
193.08504	1.8
194.07225	5.3
195.08029	1.7
201.09105	4.9
203.08635	1.8
204.09230	1.5
205.06445	5.7
205.08247	1.7
205.10098	5.0
207.08026	5.2
208.08795	2.0
209.05930	1.7
209.09538	4.6
211.07397	2.1
218.07249	3.3
219.08128	2.5
219.10144	18.2
221.05931	2.3
222.06750	5.4
222.10255	2.4
223.07426	2.9
224.08344	2.8
225.08995	1.4
231.08070	1.9
233.05899	3.4
233.09578	9.1
234.06648	1.9
234.10277	2.1
235.07491	5.8
236.08244	4.1
237.05263	1.6
237.09090	9.4
237.12660	2.1
239.06973	1.8
239.10725	1.7
241.08467	2.5
249.09138	2.9
250.06252	4.8
250.09837	4.7
251.06946	3.6
252.07771	2.1
253.08582	2.1
254.09288	3.3
255.11226	1.8
261.09085	7.0
263.07013	2.4
264.07745	2.6
265.08563	16.5
265.12143	6.3
266.09128	2.3
267.10226	7.1
268.10727	2.4
269.08005	6.5
278.09311	3.0
279.10056	2.2
281.08206	2.9
282.09055	7.4
282.11728	1.3
283.10202	1.3
284.10315	9.8
293.11688	20.3
294.12314	3.8
295.09552	2.5
296.10287	2.6
297.03891	3.0
297.11221	53.4
297.14734	6.8
298.11487	2.5
299.09680	2.5
299.12766	29.0
301.11774	6.8
310.11896	5.3
311.12735	100.0
312.13135	5.7
315.15738	2.6
325.03433	1.5
325.10654	2.4
325.14230	26.9
327.04636	2.0
332.20755	1.4
343.04431	11.3
343.08655	2.6
343.11551	3.1
343.15323	57.1
344.15747	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
51.64954	1.4
55.01861	2.5
56.06672	1.2
59.04975	2.1
67.05486	1.7
69.03403	2.9
70.06577	2.0
71.04981	1.4
71.60864	1.2
71.61339	1.8
72.69317	1.3
73.49434	1.3
79.05482	6.3
81.03401	1.5
81.07056	3.3
83.04964	1.7
85.02896	7.2
87.36620	1.4
89.03904	2.6
91.05466	14.0
93.07065	1.8
95.04932	6.1
98.21153	1.5
102.04668	3.8
103.05462	13.5
105.03339	2.5
105.07027	14.4
107.04947	29.2
107.07040	4.6
107.08592	2.6
109.06497	2.9
115.05435	5.5
117.03358	2.9
117.06990	4.6
119.04902	4.7
121.06496	6.4
121.10121	2.4
122.03623	6.4
122.07245	2.7
123.04421	1.6
125.05961	3.7
127.03925	2.7
129.07018	2.4
129.33424	1.2
130.04092	4.9
131.04910	16.9
133.06479	11.7
135.04385	4.0
135.08022	5.1
136.05061	1.3
137.05957	100.0
138.06314	2.5
141.06914	3.8
145.02815	3.7
145.06461	2.4
145.07558	1.6
145.10083	2.6
146.03578	5.9
147.04390	15.0
147.08015	3.0
149.05922	8.5
151.03928	2.8
151.07541	10.4
153.05463	1.4
158.07233	1.7
159.04364	5.5
160.05173	2.1
161.04601	2.5
161.05960	52.6
161.09558	1.4
162.06750	24.1
163.03874	20.1
163.07524	44.7
163.11145	14.0
165.06947	2.1
165.09143	2.6
167.07024	4.4
169.06487	4.5
173.09593	2.2
174.06781	1.9
175.07530	34.8
177.05482	3.8
177.06914	1.6
177.09079	5.4
178.07832	1.4
179.08510	3.1
181.06454	2.1
181.08556	13.9
181.12155	1.9
187.07552	2.1
189.09084	4.3
190.07811	2.9
191.08583	2.6
194.07265	4.9
195.08049	1.9
201.09093	4.9
205.06499	3.8
205.10098	6.0
207.08054	6.0
209.09607	3.0
211.07526	2.5
218.07155	1.6
219.08150	1.8
219.10123	12.9
221.05946	3.3
221.09558	2.1
222.06731	5.3
223.07423	3.5
224.08269	4.0
225.09013	1.5
233.06116	2.8
233.09529	8.3
235.07500	6.4
236.08185	3.9
237.05443	1.9
237.09045	8.0
237.12735	1.9
238.09756	1.4
239.07039	4.1
239.10622	3.1
241.08514	2.3
249.09142	3.6
250.06203	4.3
250.09854	4.6
251.06891	3.6
251.10626	1.6
252.07646	1.7
253.08464	3.3
254.09294	3.8
261.09103	7.0
263.07138	2.9
264.07840	2.7
264.88947	1.4
265.08560	19.5
265.12201	6.7
266.09039	2.1
267.10077	7.1
269.05457	1.5
269.08099	8.1
269.10791	1.5
277.08575	1.9
278.09384	5.3
279.10031	2.4
281.08087	2.0
282.08917	6.8
282.11591	1.7
283.09573	2.0
284.10391	6.3
290.07327	1.2
293.11649	14.0
294.12466	3.3
295.09412	3.7
297.11215	39.6
297.14734	5.2
298.11459	3.0
299.09634	2.5
299.12744	28.8
300.13077	2.0
310.11932	6.1
311.09119	3.0
311.12717	55.0
312.13147	2.1
315.15756	2.1
325.10721	1.7
325.14304	22.9
326.14310	1.7
343.15652	48.0
344.15729	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	343.1537
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
53.03933	1.4
56.96547	1.2
59.87556	0.9
66.19560	1.0
67.05486	2.8
69.03404	2.5
69.07044	3.6
69.60524	8.3
71.04977	1.2
79.05470	4.7
81.07057	5.4
83.04943	1.4
85.02886	4.6
85.06537	1.2
87.04517	1.0
91.05451	7.4
93.07037	5.2
95.04957	6.6
95.08560	2.8
97.02879	1.5
97.06515	1.1
103.05466	14.4
105.03414	1.1
105.07026	13.8
107.04946	7.9
107.08591	2.0
109.06484	5.0
109.10133	2.2
110.55124	1.1
115.05466	6.5
117.03328	1.2
117.07000	2.0
118.04106	1.3
119.04914	2.6
119.08545	1.9
121.06474	2.6
121.10106	1.9
122.03623	1.7
122.21613	1.0
123.04407	6.8
123.08102	2.1
125.05934	1.1
127.03848	1.0
128.06252	1.7
129.06958	3.2
131.04912	20.4
131.08485	1.4
133.06479	6.3
133.10144	1.7
135.04390	3.5
135.08006	4.8
135.11664	1.5
137.05962	31.2
141.06996	3.9
145.06451	2.3
145.10048	3.0
146.03609	12.6
147.04404	6.9
147.07878	1.2
147.11676	1.6
149.05939	4.5
151.07533	8.3
153.06912	1.2
156.61334	1.1
157.06508	1.4
158.07170	1.1
159.11742	1.1
160.05141	1.4
161.05968	100.0
162.06479	2.5
163.03853	3.3
163.07530	51.4
163.11195	6.9
164.07935	2.0
165.06970	2.3
167.07045	1.9
169.06474	3.2
173.06003	1.5
175.07533	47.9
176.07819	1.5
177.06955	1.7
177.09132	1.4
177.69527	1.2
178.07762	3.3
179.07025	1.3
179.08549	4.6
181.06465	3.1
181.08568	3.0
181.12170	3.0
183.07971	1.2
185.05954	1.3
187.07487	2.3
189.09029	3.6
190.07779	6.0
191.01648	1.6
191.03377	27.8
191.08496	2.4
191.38216	1.2
192.03725	1.7
193.06520	1.9
194.07266	9.6
195.08032	2.0
201.09125	3.6
203.08524	3.4
204.09348	2.1
205.06595	7.8
205.10092	10.9
206.07088	1.8
207.08023	7.4
208.08739	2.7
209.06007	1.7
209.09599	3.1
210.06665	1.3
211.07440	2.1
215.08578	4.0
218.07280	5.6
219.07962	4.5
219.10068	2.5
221.06097	5.9
221.09529	3.3
222.06757	7.9
222.10254	1.9
223.07399	4.1
224.08345	5.9
231.08064	1.7
232.08791	2.9
233.06070	2.7
233.09557	17.1
234.06743	2.9
234.10295	3.5
235.07536	13.2
236.08167	3.4
237.05458	4.1
237.09096	13.3
239.07039	2.3
239.10628	5.1
241.08557	2.9
246.06587	1.7
247.07608	3.1
249.05380	2.4
249.09003	3.6
250.06137	7.8
250.09901	7.8
251.06892	3.0
251.10757	1.4
252.07762	6.2
253.08505	4.0
254.09328	2.0
261.09137	12.9
262.09674	1.3
263.07050	5.6
263.10248	1.5
264.07755	6.0
265.08560	37.9
265.12143	12.7
266.09082	3.5
267.07278	1.6
267.10132	12.3
268.10858	1.2
269.08130	9.6
269.10751	1.7
277.08582	2.2
278.09280	11.1
279.10046	5.1
281.07974	2.0
281.11371	1.6
282.08929	5.3
283.13385	1.6
284.10443	8.9
293.11691	28.3
294.12314	2.5
295.09653	4.3
297.08237	0.8
297.11218	29.0
297.14682	2.9
299.12708	19.0
310.11945	4.3
311.12723	52.1
312.13129	3.6
325.14331	18.1
326.14581	1.7
328.12698	1.4
343.08130	3.1
343.11798	4.7
343.15332	63.1
344.15652	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	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01865	2.0
55.05499	1.3
56.90364	0.4
57.03426	3.0
57.03653	0.5
57.07050	1.7
59.44772	0.4
61.02918	4.1
65.12010	0.5
67.05492	1.0
69.03070	0.8
69.03421	12.3
69.07056	1.4
70.06565	0.6
70.78669	1.1
70.79038	0.9
71.04993	2.5
73.02900	1.8
79.05486	3.7
81.03407	5.2
81.07053	8.0
83.04980	5.6
84.08131	0.5
85.02898	29.9
85.06527	0.8
86.03236	0.7
86.09679	1.3
87.04453	1.4
91.03936	1.9
91.05466	4.8
93.07029	8.2
93.19453	0.7
95.04958	17.4
95.08589	1.6
97.02889	10.2
97.06524	3.2
99.04438	2.1
103.03923	1.2
105.07027	7.9
107.04936	1.6
107.08584	10.5
109.02850	3.2
109.06500	2.1
115.03932	0.8
116.01665	0.5
117.06999	3.5
119.08574	3.9
121.06493	4.4
121.10129	11.5
123.04400	1.2
123.08070	1.4
125.05985	10.9
127.03905	7.2
130.07753	2.9
131.04955	0.5
133.06480	2.2
133.10129	1.2
135.08026	1.1
135.11676	8.0
137.05959	2.5
137.09579	0.5
143.08522	1.1
145.04945	7.4
145.10106	16.5
146.10403	0.8
147.04410	1.0
147.08031	1.6
149.05997	0.6
153.05360	0.5
158.63086	0.5
161.09596	1.6
162.02180	0.6
163.11165	100.0
164.01614	0.7
164.11546	2.6
165.09102	1.6
165.12796	0.6
175.07465	0.6
175.11125	1.4
181.12212	18.7
182.12527	0.6
183.10219	1.0
187.11041	0.7
191.03387	0.6
191.07031	1.2
201.11188	0.7
205.12190	1.6
222.06674	0.6
223.13237	2.0
271.13309	0.7
289.14624	0.6
307.15350	1.5
311.73972	0.6
325.10751	0.9
325.16504	0.6
343.08392	0.6
343.13293	3.6
343.17599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01863	31.0
55.05297	5.2
55.05506	64.2
56.44857	5.4
57.03422	26.6
57.07075	8.0
57.09840	5.5
67.05496	97.8
69.03402	19.1
69.07062	54.7
69.36933	16.0
69.37355	49.7
71.04977	25.6
79.05484	67.4
81.03410	17.7
81.07045	85.2
83.04968	25.4
83.08603	24.8
85.02876	9.8
85.06516	9.9
91.05477	73.6
91.12439	5.9
93.07029	100.0
95.04957	65.4
95.08607	57.6
96.05730	9.8
97.02878	8.3
97.06534	54.1
97.10150	51.8
99.59354	5.4
105.07012	49.2
107.04955	32.0
107.08567	50.1
109.06520	39.6
109.10159	59.9
111.04420	7.7
111.08090	9.9
113.05959	6.8
115.07553	6.5
117.07022	18.6
119.08570	49.8
121.06479	16.2
121.10127	26.7
123.04401	14.6
123.08054	11.4
125.09634	36.8
129.07021	14.6
131.08565	27.5
133.06535	7.8
133.10110	21.4
135.08054	27.8
135.11710	17.6
137.09589	49.0
138.10336	16.4
143.08614	11.0
145.06525	5.8
145.09039	7.1
145.10016	29.9
147.08022	17.7
147.11653	19.3
148.34538	5.6
149.09595	14.3
151.07494	13.3
153.09065	8.3
155.08618	6.3
155.10654	59.0
157.10078	17.1
157.59106	6.7
159.08066	16.1
159.11684	11.6
161.09624	6.0
163.07504	7.9
163.11159	23.2
165.09140	6.9
165.12857	8.2
171.11626	6.7
173.09505	7.3
175.11238	12.2
177.12697	9.6
187.11174	6.6
189.11182	26.9
191.03423	7.5
193.12227	8.2
215.14229	8.8
217.15707	9.3
221.11754	25.6
223.13217	8.1
239.12727	14.2
240.39011	6.8
271.16907	13.5
273.18567	7.4
289.18048	19.0
290.18628	8.4
291.19583	23.2
296.11981	6.5
307.14633	7.4
307.18872	8.8
308.19791	8.7
325.15540	25.3
343.16565	20.2
343.22635	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.17406	1.6
52.46390	1.8
53.03955	2.0
55.01879	2.9
55.05510	12.4
57.03426	5.4
57.07064	7.2
59.04995	3.5
67.05501	17.3
69.03411	6.7
69.07053	7.7
71.04991	9.8
71.15084	1.6
79.05491	21.6
81.03392	2.5
81.07047	21.2
83.04974	3.4
85.02853	1.8
85.06516	3.5
86.59682	1.7
91.05482	17.6
93.07034	49.9
95.04962	35.6
95.08599	61.4
97.06526	16.3
103.05478	2.2
105.07022	57.2
107.04947	3.6
107.08585	39.8
109.06525	10.7
109.10110	6.9
115.05425	3.6
117.07011	20.7
119.08572	17.9
121.06499	9.2
121.10149	15.8
123.08068	20.6
128.06227	3.9
129.07004	3.2
130.07790	10.4
130.08614	2.1
131.08543	7.7
133.06470	4.3
133.10112	12.6
135.08061	17.9
135.11661	12.4
137.09581	4.4
143.08525	8.5
145.10114	63.5
146.10454	3.4
147.08025	11.8
147.11682	5.7
149.09607	4.0
151.07532	35.8
153.09073	3.0
157.10091	10.0
159.08072	2.6
159.11665	6.8
161.09619	7.5
161.13274	3.3
163.11162	49.8
165.09058	14.8
169.10139	4.3
171.11653	5.2
173.09651	4.3
173.13246	4.1
175.11166	3.6
177.09143	3.7
179.07004	3.2
179.10612	3.1
181.12215	4.0
183.11758	2.3
185.13196	2.6
187.11145	3.2
187.14801	3.3
189.12727	10.2
189.16412	2.0
191.14273	2.4
197.13292	2.5
203.14281	6.4
207.13824	5.8
209.13194	3.3
209.15318	5.0
215.14293	2.4
217.12186	3.9
221.15358	27.0
233.15398	5.5
245.15550	2.1
263.16397	4.4
269.15506	3.2
286.19113	5.0
287.19894	3.2
307.20459	2.4
325.21716	10.1
343.22647	100.0
344.22940	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	3.9
53.32340	1.6
55.01855	4.1
55.05507	11.3
57.03410	5.8
57.07047	6.6
59.04975	4.7
67.05499	18.3
69.03409	9.6
69.07048	6.1
69.42441	2.8
69.42851	12.7
71.04983	15.5
72.50739	1.3
74.14452	1.5
79.05486	20.8
81.03403	2.8
81.07043	25.7
83.04945	4.0
83.08621	2.6
83.81280	1.4
85.06517	2.4
91.05464	24.0
93.07034	62.0
94.07385	1.6
95.04954	50.1
95.08593	60.3
95.66709	1.7
96.08925	2.1
97.06519	14.2
98.20757	2.4
98.21407	3.9
105.07019	57.1
107.04916	4.8
107.08585	41.1
108.08886	1.4
109.06500	14.8
109.10114	3.9
113.06003	1.6
113.09608	1.6
115.05437	4.6
117.07008	25.2
119.04910	1.7
119.08557	23.0
120.62885	1.4
121.06474	13.5
121.10127	15.9
123.08047	21.4
123.11673	1.8
125.05978	3.4
125.09626	2.0
128.06288	3.4
129.06953	4.6
130.07770	13.3
131.08580	9.5
133.06485	4.8
133.10115	13.8
135.08038	20.2
135.11659	11.7
137.09608	4.5
142.07751	4.1
142.08829	1.5
143.08553	10.6
144.09277	1.7
145.06465	2.1
145.10112	67.2
146.10425	2.2
147.08012	12.5
147.11653	6.1
149.09573	5.5
151.07521	36.8
151.08643	3.2
153.09070	3.9
155.08514	3.7
155.10632	1.6
156.09338	3.0
157.10109	9.3
159.07986	3.4
159.11667	9.6
161.09639	8.4
161.13264	3.7
163.11163	53.5
164.11478	2.5
165.09105	11.9
169.10037	2.5
170.10966	1.9
171.11722	5.4
173.09535	3.3
173.13264	3.3
175.11165	5.9
177.09041	5.4
177.10478	1.6
179.07019	4.5
181.12131	1.6
183.11670	3.3
185.13145	3.8
187.11139	3.3
187.14771	2.6
189.12715	9.2
191.10507	1.7
191.14333	2.7
195.11682	3.8
197.13245	3.4
198.13831	1.4
199.11139	2.5
203.14310	8.1
207.10065	3.1
207.11922	2.2
207.13776	5.2
209.15302	2.7
213.12753	1.7
213.16328	1.5
215.14243	5.4
217.12189	1.5
221.15331	25.8
223.14789	2.9
225.12726	2.5
225.16257	1.6
233.15311	3.8
241.15807	2.3
243.13576	1.6
245.15384	1.8
263.16272	7.6
269.15347	3.6
286.19208	3.1
287.16348	2.9
287.19653	1.9
307.20563	2.2
325.21591	14.0
343.22635	100.0
344.23056	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	2.5
53.22093	1.3
55.01846	4.7
55.05505	13.9
57.03419	5.2
57.07068	7.4
59.04974	5.0
61.61416	1.3
67.05497	21.7
69.03429	7.6
69.07051	6.5
70.87804	1.7
70.88136	3.0
71.04984	12.4
74.64304	1.3
79.05482	18.0
81.03397	2.6
81.07040	25.3
83.04965	3.9
83.08595	3.9
85.06522	4.0
91.05466	24.1
93.06458	2.9
93.07031	53.5
95.04962	42.5
95.08597	67.8
96.59496	1.5
97.06525	13.5
105.07018	56.2
107.04914	3.0
107.08582	46.1
109.05991	1.2
109.06515	11.8
109.10136	18.8
111.74544	1.5
115.05437	4.5
117.06995	21.5
119.08571	29.9
119.92650	1.6
121.06482	12.8
121.10143	20.1
123.08057	18.7
123.11692	3.4
125.09644	1.3
128.06186	3.0
129.06981	4.3
130.07788	11.7
131.08528	6.7
133.06473	3.1
133.10103	15.2
135.08038	18.4
135.11650	13.0
137.06004	1.5
137.09573	3.7
142.07774	2.4
143.08537	11.1
145.10107	63.2
146.10486	1.7
147.08022	11.9
147.11642	7.1
149.09573	4.7
149.13257	2.6
151.07524	32.5
153.09085	3.0
155.08481	1.5
156.09349	2.3
157.10085	8.9
159.08032	3.0
159.11664	7.4
161.09587	6.7
161.13269	4.2
163.07651	1.6
163.11165	47.8
165.09102	14.1
169.10124	2.6
171.07915	1.6
171.11639	4.3
173.09587	3.2
173.13206	3.2
175.11102	3.5
175.14737	2.3
177.09071	3.6
179.06995	3.2
181.10245	1.5
181.12199	1.8
183.11717	2.1
185.09560	2.4
185.13252	2.5
187.11131	4.3
189.12697	6.4
189.16386	12.1
191.14279	2.0
197.11670	1.8
197.13251	4.2
199.11215	1.7
199.14728	2.7
201.12791	2.4
201.16391	4.3
203.14268	4.4
207.10013	3.4
207.11839	2.0
207.13756	4.5
208.12471	1.5
209.13214	1.6
209.15268	2.8
215.14275	3.2
217.12123	2.1
221.15335	24.6
227.14220	1.9
227.17914	2.1
233.15312	2.5
235.16916	3.6
241.15947	1.9
243.13919	1.7
245.15332	2.9
247.16959	2.4
249.41109	1.6
259.16812	1.9
263.16431	8.5
269.15265	2.6
279.20950	1.7
286.19165	2.2
287.20056	2.7
297.25516	6.0
307.20633	2.2
325.21591	11.7
331.33456	1.5
343.22604	100.0
343.26135	7.4
344.22974	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03932	4.3
53.79482	1.4
55.01851	5.3
55.05502	10.5
57.03417	5.1
57.07053	7.4
59.04980	3.8
64.12700	1.3
65.03922	2.2
67.05491	19.2
69.03416	9.3
69.07047	5.2
69.60530	10.2
71.04990	18.0
79.05485	17.7
81.03400	3.0
81.07045	28.0
83.04958	4.8
83.08598	3.5
85.06528	3.6
91.05464	25.6
93.07033	56.6
95.04953	43.0
95.08595	64.8
97.06516	12.7
105.07016	61.3
107.04953	2.8
107.08581	42.0
108.08931	1.6
109.06495	12.5
109.10135	10.9
111.08077	2.1
115.05448	5.5
116.06161	1.8
117.07005	21.9
119.08562	29.4
121.06496	11.4
121.10132	19.6
122.07308	1.8
123.08044	20.3
123.11709	2.2
123.28514	1.3
128.06210	2.2
129.06958	4.3
130.07759	10.8
131.08543	9.0
133.06470	4.3
133.10129	12.8
134.07268	1.2
135.08035	17.6
135.11674	14.7
136.90205	1.3
137.05988	2.6
137.09557	3.8
141.07036	1.8
142.07756	2.2
143.08551	9.0
145.10103	67.2
146.10468	1.6
147.08023	12.1
147.11688	5.0
149.09599	3.2
151.07524	37.9
153.07155	1.4
153.09087	3.3
156.09312	2.3
157.10127	9.2
158.10774	1.6
159.08000	3.7
159.11670	8.5
160.08871	1.9
161.09563	6.0
161.13246	4.4
163.11162	53.2
164.11600	1.6
165.09090	12.2
167.08488	1.8
167.10602	1.7
169.10088	2.8
171.11682	4.8
173.09621	3.6
173.13232	5.0
175.11165	5.1
175.14777	2.0
177.09111	3.4
179.07056	3.9
181.12154	2.5
182.10909	1.6
183.11670	1.6
185.13254	3.2
187.11185	4.2
187.14844	1.5
189.12756	8.2
189.16377	6.3
191.14279	3.1
191.17934	2.2
193.09990	2.0
195.11661	1.8
197.13292	2.7
199.11189	1.8
203.14357	7.0
207.13733	4.4
209.13280	2.9
209.15375	3.8
213.12788	2.0
215.14284	3.3
221.15331	27.5
223.14769	2.1
225.12683	1.6
233.15450	2.6
235.16826	3.2
241.15880	2.6
243.13792	2.0
245.15350	3.2
247.16995	1.6
259.16922	2.3
263.16418	5.9
265.19458	1.8
269.15387	3.0
274.19379	2.1
286.19153	3.7
287.16409	3.3
297.25870	1.4
305.16922	1.6
307.20251	2.2
325.21564	7.2
343.22638	100.0
344.22961	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03931	3.9
55.01860	5.5
55.05500	14.7
55.93496	1.2
57.03429	9.1
57.07074	7.1
59.04987	5.0
65.03944	1.6
67.05500	25.5
69.03428	10.5
69.07067	8.8
70.06551	1.1
71.04627	1.6
71.04992	18.5
71.63486	1.4
71.63846	1.6
72.11143	1.1
79.05481	22.2
81.03403	4.6
81.07053	24.4
83.04967	5.1
83.08628	2.6
85.06530	3.6
91.05476	29.9
93.07043	65.3
94.07339	1.3
95.04964	55.0
95.08603	76.5
96.08926	1.6
97.06524	12.8
97.10157	1.4
103.05455	3.2
105.07026	72.8
107.04956	5.8
107.08591	47.8
109.06517	15.5
109.10134	5.9
111.08070	1.4
115.05444	5.2
116.06232	1.9
117.07020	25.7
119.08575	24.1
121.06485	15.3
121.10133	16.9
122.07259	1.3
123.08062	22.4
123.29881	1.3
125.05969	2.8
125.09585	1.5
128.06184	3.9
129.06981	4.3
130.07777	14.0
131.08563	8.2
133.06468	5.2
133.10138	14.5
135.08054	23.4
135.11685	14.2
137.06018	2.2
137.09593	4.7
141.06999	1.4
142.07761	2.4
143.08546	10.9
145.06551	1.5
145.10112	80.4
147.04233	1.3
147.08023	12.7
147.11670	3.9
149.09621	6.7
151.07530	37.8
153.05527	1.2
153.09093	4.7
155.08464	2.6
156.09303	3.6
157.10150	7.7
159.08020	2.9
159.11681	7.5
161.09618	7.2
161.13261	4.7
163.07475	1.5
163.11176	64.4
165.07008	1.7
165.09103	14.3
169.10175	1.7
171.11655	4.4
173.09607	5.9
173.13251	1.9
175.11156	3.4
177.09122	4.8
179.06976	4.2
181.10246	1.4
181.12190	2.9
183.11665	2.0
185.09488	1.8
185.13254	2.9
187.11194	5.0
187.14748	1.4
189.12767	8.3
191.10704	2.6
191.14375	3.3
193.12238	2.6
194.80067	1.3
195.11699	3.8
196.12480	1.3
197.13283	3.0
199.11279	1.8
199.14844	2.3
201.12787	2.1
203.14322	8.5
207.10114	2.7
207.12039	1.4
207.13860	4.9
209.13336	2.8
209.15419	3.9
213.12669	2.1
215.14360	2.9
217.12163	1.4
221.13312	2.7
221.15350	26.5
221.17532	1.5
225.12686	2.3
231.13889	1.3
237.14809	1.3
241.15874	2.0
243.13690	2.0
245.15352	1.7
251.11008	1.3
263.16306	6.3
269.15298	4.5
274.19330	1.6
286.19156	5.5
287.16522	1.8
287.19791	2.1
307.20410	1.7
314.83295	1.2
325.21518	11.3
343.22656	100.0
344.22995	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.3
55.01868	2.6
55.05502	23.4
56.96560	5.9
57.03423	6.6
57.07052	9.7
66.65762	2.2
67.05489	37.0
69.03408	5.5
69.06712	3.3
69.07061	41.9
71.04967	7.7
71.61989	2.8
72.08118	2.7
79.05467	14.8
81.03403	3.1
81.07048	98.9
83.04954	9.1
83.08613	19.8
85.02901	14.7
85.06521	9.2
91.05456	10.5
93.07026	29.5
94.07790	2.5
95.04965	15.8
95.08597	100.0
97.02869	4.5
97.06520	6.5
97.10157	17.3
98.97556	8.2
99.08050	12.4
99.58237	2.3
102.95058	2.3
105.07011	20.8
107.04967	3.7
107.08577	30.7
109.06490	8.1
109.10145	50.2
111.04433	3.0
111.08067	6.2
111.11693	10.8
113.05975	9.4
115.05417	3.0
116.98587	4.9
117.07003	2.6
119.08557	16.3
121.06514	2.6
121.10149	21.3
122.03522	3.6
123.04417	5.5
123.08035	4.5
123.11712	25.0
125.05987	4.1
125.09599	7.4
127.03887	4.1
129.06961	5.0
131.08560	6.5
133.06436	3.8
133.10101	10.7
134.99615	4.6
135.08037	5.1
135.11685	14.0
137.05917	15.0
137.09694	3.8
137.13245	12.1
139.03870	7.3
139.11159	7.0
143.08536	3.5
145.10062	8.8
147.04355	3.2
147.07988	3.3
147.11664	8.5
149.13219	5.6
151.07520	4.9
151.11183	3.7
151.14749	13.2
153.01768	3.3
157.10068	3.6
158.99576	2.5
159.11673	7.2
161.05910	5.3
161.13264	4.5
163.03889	6.0
163.07567	4.1
163.11159	26.7
163.14862	3.3
165.12657	4.1
169.12227	2.7
173.13171	3.9
175.07495	5.7
175.14682	4.1
177.00700	4.3
179.14201	3.8
181.12157	8.8
186.73781	3.0
187.14738	3.1
189.16382	5.1
191.03392	16.2
191.10573	2.8
191.17882	3.2
193.15865	4.2
200.02364	3.3
201.16249	3.2
215.17984	3.3
233.19096	3.8
251.20068	3.2
253.12625	6.9
271.24283	4.8
277.24911	2.9
277.47476	2.9
279.10001	2.9
289.25302	6.1
291.19379	6.9
307.26218	15.3
325.27286	3.8
343.04419	6.4
343.08115	5.5
343.11780	11.2
343.15314	5.1
343.22607	5.8
344.05679	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	343.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72598	1.6
55.01876	1.6
55.05505	17.0
57.03427	1.6
57.07053	6.4
57.19540	1.5
58.50547	1.4
59.04993	1.9
67.05495	12.8
69.03440	7.5
69.07060	100.0
69.80511	4.3
69.80933	6.1
70.07401	2.0
71.04986	4.5
71.08590	1.7
79.05495	8.2
81.03391	1.7
81.07047	53.0
82.07374	2.3
83.04965	3.8
83.08611	10.7
85.02895	4.8
85.06529	6.7
91.05475	7.3
93.07039	15.5
95.04957	5.5
95.08595	27.9
97.02866	1.7
97.06525	6.1
97.10154	5.1
98.20757	3.2
99.08116	7.9
99.08657	1.5
101.06020	5.0
105.07010	10.1
107.08578	17.7
109.06493	4.2
109.10138	22.5
111.08060	2.9
111.11705	27.5
116.06222	1.6
117.66158	1.8
119.08562	6.4
119.25040	1.5
121.06483	1.8
121.10133	12.5
123.08093	2.2
123.11695	23.4
125.05996	2.3
127.11163	4.8
129.12729	2.1
131.08569	3.0
133.10106	1.8
135.08092	3.9
135.11673	8.2
137.05940	3.8
137.09613	2.5
137.13243	4.6
139.11143	22.3
145.10155	4.8
147.11691	4.8
149.13194	3.8
151.14754	3.4
153.12752	6.5
155.10602	1.7
161.13254	3.1
163.07516	2.5
163.11122	10.6
163.14803	1.8
165.12695	4.0
167.07077	2.3
177.12733	1.7
181.08614	2.9
181.12132	3.7
183.13864	2.0
189.09184	1.9
201.16344	1.7
245.15785	2.2
277.25266	2.9
289.25153	4.4
295.26282	10.3
307.26254	20.2
325.27359	5.1
343.04544	2.6
343.11636	3.2
343.15359	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03416	1.3
61.02906	1.8
69.03429	4.2
70.06583	2.3
70.86946	1.3
71.04985	0.5
71.49993	0.4
72.08147	0.5
72.27212	0.4
73.02911	0.8
75.82494	0.5
81.03397	1.8
82.32948	0.6
85.02898	17.5
88.03986	0.6
91.03908	0.6
91.05461	4.1
95.63731	0.4
97.02884	4.1
98.97573	0.5
99.04457	0.6
107.04951	0.9
109.02858	1.9
119.04931	16.4
123.04442	2.5
127.03898	3.4
131.78812	0.5
145.04941	3.8
145.06087	0.5
145.06422	0.4
147.04398	100.0
148.04730	1.2
151.03935	0.6
163.03960	0.6
164.01662	0.5
165.05464	51.5
166.05760	0.6
180.08653	1.5
182.02684	1.2
182.08061	1.0
183.06230	0.6
185.09270	0.8
231.57599	0.4
255.07773	0.5
281.11371	0.5
309.09796	0.9
316.14896	0.6
327.11841	0.9
344.13660	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05670	0.5
53.03931	0.9
61.02914	1.7
65.03941	0.5
68.18788	0.5
69.03413	3.5
70.06548	0.5
71.00684	0.7
73.02882	0.5
73.49916	0.4
80.20100	0.4
80.43664	0.4
81.03406	1.1
85.02896	16.5
87.04437	0.7
91.03925	0.8
91.05467	3.8
95.04963	0.7
97.02873	4.1
99.04420	0.5
109.02858	2.0
119.04926	18.2
123.04409	1.9
127.03896	2.5
145.04956	3.4
145.05923	0.6
147.04395	100.0
148.04733	1.3
163.04044	0.5
165.05461	48.5
166.05760	1.0
180.08704	1.5
182.08157	0.7
241.16293	0.5
251.23183	0.5
309.09689	0.5
344.13821	0.9
344.17822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03436	0.9
61.02916	1.5
65.03941	0.3
69.03419	2.6
70.41090	1.3
70.66432	0.3
71.04993	0.6
73.02939	0.3
81.03432	1.0
85.02895	16.7
91.03980	0.7
91.05468	4.0
95.04976	0.6
97.02886	3.5
98.20840	0.5
98.21400	0.3
99.04441	0.7
106.05936	0.3
109.02850	1.5
119.04081	0.7
119.04928	13.8
123.04392	2.3
127.03902	3.1
144.06557	0.4
145.04944	3.9
147.04391	100.0
148.04716	2.1
163.03757	0.4
163.06003	0.4
165.05453	59.8
166.05789	0.9
180.08644	2.5
182.08101	0.9
184.34859	0.3
189.05345	0.3
227.37801	0.5
309.09528	0.7
330.52774	0.4
344.13324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68225	2.7
55.01858	10.0
55.05502	39.1
57.03419	15.8
65.03910	3.6
67.05495	64.5
69.03414	5.3
69.07060	35.9
70.64307	2.6
71.01331	9.9
71.04977	8.7
71.62019	5.9
75.95957	2.6
79.05050	4.4
79.05478	54.8
81.03410	19.0
81.07045	99.3
83.04951	14.2
83.08601	16.2
84.37487	2.9
85.06528	6.4
91.05473	46.1
93.07033	41.7
95.04960	22.7
95.08581	27.8
97.06503	10.2
97.10168	13.5
98.20848	3.0
105.07021	36.7
107.04939	9.7
107.08568	23.4
109.06480	7.3
109.10145	14.7
111.04413	4.3
111.08060	6.0
117.06997	11.0
119.08569	34.1
121.06465	9.9
121.10102	17.4
123.04385	3.0
123.08051	41.8
123.11690	4.3
125.09611	9.0
129.06978	8.1
131.08562	15.2
133.10123	19.6
135.07997	7.7
135.11667	10.0
137.09563	4.1
143.08522	5.6
143.10544	2.9
145.02203	2.9
145.10095	15.5
147.08026	10.3
147.11650	10.3
149.09613	9.2
151.11186	4.1
157.10022	6.5
159.11681	4.2
161.09578	4.8
163.11131	7.6
171.11755	3.8
175.11089	3.7
185.13309	3.0
189.11089	7.1
189.12640	3.5
223.13306	2.8
237.14824	9.5
273.18472	27.1
275.19904	4.0
291.19510	100.0
313.17999	2.9
327.17035	3.5
344.31354	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01857	3.4
55.05502	6.9
57.03421	9.0
67.05493	17.5
69.03411	1.9
69.06707	2.2
69.07062	28.6
70.15146	5.5
71.04979	8.6
73.02912	2.1
79.05490	20.1
81.03403	10.3
81.03812	1.6
81.07053	16.4
83.04975	3.1
83.08606	3.5
85.06537	2.6
86.56995	1.3
91.05469	11.6
93.07036	13.5
95.04961	18.5
95.08599	9.4
97.06520	100.0
98.06809	1.7
98.21410	1.5
99.08086	4.2
105.07027	7.4
107.04939	2.0
107.08607	7.7
109.06505	6.2
109.10160	4.6
109.26921	1.2
111.08092	1.3
115.07556	23.8
116.07204	1.2
117.07011	5.4
119.08570	5.1
121.06497	2.9
121.10117	2.4
123.08043	2.4
127.07520	1.2
129.06992	2.5
130.01038	1.1
131.08559	8.2
133.10092	6.5
135.08017	3.3
135.11726	3.7
135.80402	1.1
143.08566	1.3
145.10094	3.3
147.07959	1.7
147.11693	2.6
149.09608	1.9
149.13217	5.5
151.11115	2.0
157.10110	1.6
159.11632	5.6
161.09599	1.6
163.93242	1.2
173.13211	2.6
177.11389	1.4
177.12704	6.7
187.11273	2.1
195.13834	6.0
219.13776	1.6
223.13293	3.5
273.18512	4.9
291.19525	6.3
310.47275	1.4
330.47946	1.1
346.88080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.6
55.05502	16.6
57.03441	15.7
64.75919	2.8
64.78876	2.9
67.05170	3.7
67.05499	42.9
69.04142	3.0
69.07063	85.2
70.15458	5.4
70.15877	10.6
71.04988	46.7
73.02901	9.3
79.05486	46.0
81.03413	26.0
81.07049	45.8
83.04955	10.4
83.08607	9.1
85.06524	7.7
91.05463	31.2
93.07033	39.9
95.04961	39.9
95.08607	25.2
95.09119	4.3
97.06525	100.0
98.20795	3.5
98.21347	5.4
99.08077	9.6
105.07018	25.0
107.04979	7.4
107.08593	21.5
109.06495	19.1
109.10149	9.3
111.08019	4.9
113.06007	5.8
115.07564	86.4
117.07013	15.8
119.04931	2.9
119.08585	16.8
121.06471	5.0
121.10139	10.5
123.08043	8.6
125.09696	4.4
127.07558	2.9
129.06981	5.3
131.08572	27.4
133.06439	4.2
133.10104	17.9
134.84419	3.3
135.08046	8.5
135.11674	9.1
139.07491	4.6
143.08562	4.6
145.06413	5.2
145.10103	15.7
147.08067	3.5
147.11700	10.4
149.09589	6.5
149.13284	6.2
154.14954	2.8
155.08472	4.5
157.10112	7.5
159.11687	21.1
161.09535	5.0
163.11186	5.2
169.10132	3.1
171.11703	7.2
173.13263	6.8
175.11174	5.0
176.76736	3.2
177.12767	7.7
185.13196	4.0
187.11197	3.7
193.12282	3.7
195.13800	13.0
199.14845	4.6
205.12219	4.1
217.15875	4.1
219.13785	3.4
221.15236	4.2
223.13300	13.5
232.02199	3.2
233.15210	3.4
249.15019	4.9
273.18442	12.8
291.19543	11.4
311.45645	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	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00213	1.6
52.83540	1.7
53.03933	5.9
55.01863	5.2
55.05503	59.2
56.96578	2.2
57.03429	18.3
59.04987	2.8
67.05493	23.9
69.03413	9.2
69.07058	14.3
71.04971	2.4
71.63371	2.8
79.05480	83.9
81.03410	11.7
81.07039	24.5
83.04974	3.6
83.08602	34.1
84.34492	1.9
85.06500	2.9
91.05457	19.2
93.07028	100.0
94.07326	2.2
95.04940	10.2
95.08579	26.8
97.10150	69.9
105.07012	9.8
107.04864	2.4
107.08573	19.8
108.08872	1.9
109.06503	5.0
109.10138	3.3
111.08065	2.8
119.08542	8.8
121.10129	49.9
123.08040	27.0
123.11662	2.2
125.09612	64.3
131.08546	3.5
133.10074	2.9
135.08005	6.1
137.09669	1.9
138.24677	1.6
139.11183	4.5
141.09067	12.6
143.08582	3.1
143.10638	5.3
145.10114	4.0
151.11162	2.0
153.09076	5.0
159.11678	3.2
165.09119	1.9
171.10172	4.4
189.11186	89.4
199.14803	2.3
219.13792	2.4
221.15324	16.0
223.13228	16.6
235.16945	2.2
273.18408	9.8
288.66034	1.9
291.19516	19.5
299.09146	3.2
309.20590	28.6
345.13397	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01872	8.7
56.96547	2.1
57.03428	11.8
58.87915	1.1
61.02921	28.9
68.99675	0.9
69.03422	39.7
70.03712	1.0
71.01361	1.3
71.04980	1.5
71.42640	1.4
71.42981	1.7
73.02908	42.9
75.70057	0.9
79.08975	0.8
81.03423	6.5
82.99870	1.1
85.02894	82.0
86.03217	1.6
87.04453	2.9
90.17994	1.0
91.03941	21.2
94.02627	1.1
94.99870	1.5
97.02878	36.2
98.03242	1.5
98.97591	5.7
99.04446	7.0
101.00891	3.8
101.02356	4.3
102.02386	3.3
103.03915	1.4
108.02361	1.2
109.02848	5.3
111.02883	2.8
113.00854	1.8
114.02400	1.2
115.03914	4.2
116.98602	4.9
117.02948	1.4
119.01127	1.4
119.01908	15.2
123.02898	7.4
123.04523	1.2
123.52945	1.7
124.03654	1.0
127.03901	50.6
128.04237	1.6
129.00276	1.0
129.02887	3.6
131.01886	8.9
132.03426	2.4
132.53511	1.2
133.03453	2.1
134.99634	4.3
135.02870	1.6
136.03642	2.5
137.02887	2.8
138.03424	8.1
138.53540	1.5
143.01871	16.5
144.02051	1.8
144.03418	4.4
144.53503	1.3
145.03456	9.6
145.04935	20.1
146.05225	1.8
146.99571	1.4
147.01323	1.4
147.03932	6.1
147.54094	1.5
149.02934	2.6
153.03931	16.8
153.54036	2.8
154.03563	1.4
154.04770	1.8
155.01860	27.4
155.03073	1.6
156.02046	3.5
156.04411	1.5
157.03421	4.8
161.01395	1.2
161.02928	24.5
162.03119	2.4
162.04474	10.6
162.54512	1.5
163.04575	1.3
165.03894	2.5
167.01949	4.0
169.03456	5.6
171.05052	1.4
173.02940	54.9
173.55278	1.3
174.03094	5.8
174.04469	19.9
174.54491	2.4
175.04463	2.0
177.00906	3.6
181.03415	1.5
183.04990	50.9
183.55083	8.5
185.02942	28.5
186.03024	3.0
187.04489	9.0
192.05559	8.3
192.55643	2.5
194.55740	2.7
196.04492	1.3
197.02904	7.4
199.04474	1.5
201.00890	2.5
203.03993	24.1
203.56250	2.2
204.05536	4.2
205.00354	1.6
209.02913	2.2
213.06029	1.8
215.04071	7.8
219.01985	24.4
219.06042	3.4
220.02042	2.5
221.05014	3.4
225.06186	1.5
227.02235	7.3
227.04326	2.2
231.01863	1.2
233.05063	1.8
234.06578	59.5
234.56715	13.2
235.06462	1.2
242.03705	1.2
243.01941	4.9
245.05119	42.9
246.05014	6.2
255.07068	19.8
255.57249	4.7
256.97421	2.3
257.05215	6.6
258.05347	1.6
261.00513	1.1
261.03030	7.4
263.03201	1.7
263.06061	10.9
264.07632	100.0
264.57751	25.7
267.01971	4.3
268.94073	1.7
273.08157	1.5
275.06021	6.4
284.58908	3.3
285.00049	2.0
285.03052	5.1
287.06097	4.5
289.72873	1.1
293.07086	2.8
298.97736	5.7
302.00961	2.4
303.00735	3.3
303.04016	15.0
304.00955	1.7
304.04166	1.1
305.07132	10.1
306.07269	1.1
321.05231	6.6
329.06827	1.4
335.07843	1.1
339.06171	8.8
345.01944	2.3
347.08194	15.5
348.08350	3.6
365.09247	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	345.1329
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
55.01858	2.4
64.91566	0.9
65.03928	3.2
66.22124	1.1
66.42657	1.1
67.05472	2.9
69.03413	2.7
69.07059	1.8
69.66431	7.6
69.80840	0.9
70.06572	1.7
72.08148	1.0
79.05479	2.9
81.03418	1.4
81.07035	4.7
83.04964	1.1
85.02889	2.3
87.04427	1.0
91.05464	3.1
93.03389	1.2
93.07028	2.0
94.04165	1.2
95.04935	2.7
95.08580	2.0
97.02840	1.1
99.04463	1.2
99.39891	1.0
103.05439	4.6
105.03352	1.4
105.06998	3.1
107.04912	5.7
107.08598	2.2
109.10124	2.4
109.46839	1.3
111.04422	7.5
112.17493	0.9
115.05470	1.7
117.06984	3.3
119.04973	2.3
121.02883	5.3
121.06473	2.2
121.10120	1.9
122.03642	2.4
123.04382	1.9
123.08018	1.1
128.06151	1.1
129.06958	2.0
131.04904	5.7
133.06464	5.1
135.08017	1.5
137.02344	2.4
137.05957	35.9
137.09535	2.2
138.06404	1.0
139.03873	3.1
141.07002	1.4
142.07784	1.2
145.06480	8.5
146.07085	1.1
147.04359	1.8
147.08009	2.6
147.11647	1.5
149.06055	1.4
151.07541	3.6
152.06187	2.4
153.05478	2.1
153.06970	4.0
155.08521	2.2
157.06444	3.0
159.08043	2.1
160.89697	1.1
161.05983	2.2
163.07510	13.8
165.05449	3.1
165.06982	10.2
165.09071	1.7
165.12721	1.1
167.03397	1.9
167.07025	5.7
167.08423	2.2
168.05675	1.8
169.06479	2.3
171.06523	1.8
171.08058	1.0
173.05930	1.7
174.06738	1.4
175.07518	3.1
177.09085	10.4
178.07784	6.0
179.08508	4.7
181.04933	15.1
181.06462	7.6
181.10005	1.0
182.07237	2.9
183.06474	8.6
183.08032	5.0
185.05962	1.6
185.09595	2.2
187.07545	1.4
188.08249	1.5
189.09018	1.8
191.06993	2.4
192.09224	1.0
193.06436	1.5
193.10094	2.6
194.07260	1.8
195.08087	5.9
196.05263	2.1
196.08829	3.7
197.05928	7.2
198.06720	9.0
199.07504	2.2
202.07564	1.4
203.10564	1.1
205.06395	1.4
206.07216	2.7
207.08009	8.4
208.08728	1.9
209.06003	2.9
209.09557	1.5
210.06691	4.8
211.07555	12.9
211.11166	3.3
212.08151	1.8
213.05464	3.5
213.09062	1.7
217.06453	1.0
221.05894	1.8
221.09569	3.0
223.07484	9.0
224.08327	10.0
225.05457	3.7
225.09055	2.7
226.06198	12.3
227.07034	2.9
228.07774	1.2
229.08241	1.3
234.06696	1.7
235.07478	7.4
235.09515	1.3
236.08279	1.8
237.05428	2.5
237.09178	2.2
238.06163	5.5
238.09825	3.4
239.07001	33.2
239.10591	13.2
240.07710	5.4
240.11249	1.3
241.04904	3.8
241.08533	7.7
242.05440	1.0
243.06508	6.3
249.09047	3.9
251.07132	5.5
252.07697	5.8
253.04877	1.4
253.08487	5.9
253.12224	1.9
254.05789	3.9
255.06476	12.3
256.07330	6.7
258.08740	1.7
266.05835	1.2
266.09363	1.3
267.06549	6.9
267.10138	15.7
268.07260	6.1
268.10248	1.7
269.04694	2.0
269.08005	14.1
269.10962	1.6
270.08783	3.7
271.05960	3.3
271.09686	3.0
271.13339	1.5
277.08539	1.1
281.08331	1.7
281.11670	1.8
283.05920	4.1
283.09293	1.8
284.07248	5.9
284.09991	6.3
285.11169	12.1
286.08371	18.1
286.11374	1.4
295.09647	5.5
296.10373	3.2
297.07526	1.8
299.09113	100.0
299.12738	47.1
300.09448	7.0
300.12961	3.2
303.05084	1.8
312.09869	4.1
313.10638	42.9
314.11258	1.6
317.13757	8.5
327.12231	62.9
328.12592	3.4
345.02246	2.4
345.06107	6.8
345.13293	92.0
346.13538	6.0
362.05258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03970	1.3
55.01857	2.3
55.05490	2.3
65.03923	4.0
67.05487	4.0
69.03412	6.7
69.07045	2.5
69.48797	4.1
69.49232	7.0
72.01978	1.3
73.28223	1.2
79.05467	4.2
81.03403	2.8
81.07046	8.5
83.04973	1.5
83.08594	1.5
85.02906	4.1
85.06552	3.0
91.05452	5.9
93.03368	1.7
93.07005	5.5
95.04954	1.4
95.08593	5.5
96.02089	3.3
98.21444	2.4
99.08084	1.4
103.05448	4.0
105.00051	1.7
105.07021	6.3
107.04932	3.0
107.08577	5.6
109.10147	5.0
111.04433	21.3
115.05420	2.1
117.07018	3.9
119.04903	1.7
119.08563	3.7
121.02861	1.7
121.06474	2.1
121.10127	3.0
122.03661	1.9
123.04432	3.8
123.11696	3.2
129.06987	3.1
131.04918	6.6
133.06496	3.6
133.10085	2.7
135.08037	2.4
137.02290	1.4
137.05966	16.5
137.09589	1.5
137.13254	1.8
139.03873	12.2
141.06964	2.7
143.08549	3.3
144.05659	2.1
145.06461	5.9
145.10092	1.6
147.04318	1.7
147.07986	2.1
147.11667	1.4
148.05113	1.5
148.53529	1.4
151.03870	2.1
151.07512	4.1
152.06209	2.0
153.01805	1.5
153.05545	2.1
153.06972	5.0
153.09019	1.5
155.04961	1.3
155.08553	3.5
157.06433	3.4
159.08043	3.9
160.08823	3.0
161.05959	5.8
161.09592	9.0
162.06731	2.9
163.04059	2.0
163.07536	12.1
164.70103	1.3
165.05653	1.4
165.06941	6.2
165.09074	2.5
167.03358	5.2
167.07091	2.1
167.08530	3.2
168.05731	3.6
169.06494	3.3
170.07254	2.3
171.07994	1.9
173.05963	2.3
175.07509	6.3
177.06908	1.6
177.07465	1.5
177.09088	19.3
177.16415	1.5
178.07744	3.3
179.03355	1.3
179.07199	1.4
179.08533	6.1
181.04907	3.9
181.06480	7.4
181.10085	2.1
182.07278	3.6
183.08029	5.2
185.05951	2.8
185.09605	2.9
187.07547	4.6
188.08333	7.9
189.09129	3.9
191.06967	1.7
195.08080	6.3
195.09779	1.2
196.05220	2.3
196.08739	4.2
197.05939	5.9
197.09592	3.7
198.06770	14.7
199.07555	2.3
203.10626	1.6
206.07205	2.6
207.08041	8.5
207.10126	3.9
208.08797	2.8
209.05936	3.5
209.09689	2.7
210.06813	5.9
211.07555	11.7
211.11151	4.1
212.08214	2.2
213.05487	6.5
213.09074	3.8
219.08026	1.7
221.09557	4.2
221.11731	2.3
223.07520	9.7
223.13284	4.2
224.04742	1.7
224.08284	7.0
225.09068	4.0
226.06226	9.4
227.06998	6.9
228.07788	4.0
234.06728	2.4
235.07539	5.6
236.08163	2.5
237.05418	2.8
237.09019	2.0
238.06226	3.1
238.09891	7.4
239.07033	24.6
239.10599	15.4
240.07867	7.1
241.04904	3.8
241.08574	12.8
243.06520	13.3
244.06889	1.8
249.09026	4.2
251.06976	5.0
252.07721	7.7
253.04810	1.8
253.08556	10.7
253.12212	3.5
254.05644	1.6
255.06441	7.1
255.10051	1.7
256.07278	15.3
256.10855	2.4
257.07806	1.5
263.07117	2.0
265.05008	1.4
265.08554	1.7
267.06528	5.6
267.10132	30.4
268.07297	19.2
268.10471	2.6
269.08069	22.1
270.08682	3.6
271.05948	2.6
271.09561	6.0
271.13324	5.6
277.08496	2.0
281.08051	2.6
281.11694	4.5
283.09729	1.6
284.06775	7.4
284.10397	8.6
285.11041	7.0
286.08331	11.0
295.09601	10.6
296.10443	10.8
299.09113	100.0
299.12759	30.4
300.09418	4.2
300.13034	2.4
302.03906	1.9
309.11148	2.2
312.09952	2.9
313.10632	27.0
317.13773	5.5
327.12241	86.1
328.12497	3.6
345.06763	8.3
345.13300	76.2
345.21332	19.6
346.13705	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01850	3.1
55.05495	5.1
56.96549	1.3
57.07050	2.3
65.03922	4.9
67.05496	6.9
69.03421	3.0
69.07065	9.6
69.43882	10.1
70.40955	1.0
71.04972	1.5
79.05469	4.8
81.03385	1.3
81.07044	20.2
83.04979	1.6
83.08601	4.8
85.02891	3.3
85.06532	2.4
85.07658	12.4
91.05450	4.9
93.03391	2.4
93.07047	7.6
95.04951	4.0
95.08598	13.7
96.02111	5.5
97.06515	1.4
97.10158	3.0
99.08070	1.4
102.60280	1.0
103.05466	1.8
105.07018	3.6
107.01275	1.7
107.04942	1.8
107.08613	7.0
108.37398	1.1
109.02876	1.2
109.10183	7.5
109.10796	1.1
111.03686	2.1
111.04427	25.3
111.08068	2.7
111.11724	3.6
115.05449	2.2
116.98589	2.3
117.07034	3.1
119.04906	1.8
119.08578	4.0
121.06530	1.4
121.10143	4.8
123.04408	6.4
123.11703	5.8
127.03922	1.3
129.06990	2.8
131.04897	5.0
131.08582	2.4
133.10042	1.7
135.04514	1.2
135.08017	1.7
135.11656	3.0
137.02283	2.0
137.05960	10.6
137.09619	2.2
137.13242	3.7
139.03893	16.9
141.06999	1.6
142.07666	1.1
143.04840	1.4
144.05687	2.0
145.06454	3.2
147.04390	4.2
147.11621	1.9
149.13228	4.5
151.03891	3.4
151.07632	2.2
153.01720	1.2
153.05455	3.1
153.06973	4.4
153.12677	3.3
155.08490	2.1
157.06471	4.7
158.99525	1.5
159.08038	6.3
159.11726	1.6
160.05186	1.0
160.08817	5.0
161.05930	7.5
161.09560	2.2
161.13330	1.3
162.06743	2.5
163.07512	1.5
165.05534	2.1
165.06998	5.4
165.12852	1.7
167.03409	6.8
167.07039	1.4
167.08580	1.7
167.14270	1.5
168.05701	3.7
169.06503	4.2
171.08008	2.4
173.05981	1.4
174.37839	1.0
175.03975	1.4
175.07529	2.2
177.09091	1.6
178.07803	3.4
179.03357	1.4
179.08508	7.3
181.06479	7.6
182.07291	3.0
183.08040	3.9
184.08832	1.2
185.05975	5.6
185.09656	1.8
187.07512	6.0
188.08255	8.3
189.05447	2.1
189.09067	2.7
190.07635	1.5
191.02240	1.4
191.07019	2.0
191.10690	2.0
193.08595	2.1
195.08005	5.7
196.05161	4.7
196.08757	3.4
197.05948	6.2
197.09615	3.3
198.06729	18.0
199.07457	4.1
200.08336	2.9
205.06432	1.4
206.07289	2.4
206.09268	1.5
207.04572	1.3
207.08064	9.5
208.08794	3.0
209.05965	4.2
209.09547	1.9
210.06694	4.1
211.07555	9.1
211.11168	4.3
212.08229	2.8
213.05481	8.2
213.09068	3.0
215.06938	1.9
219.08084	1.8
221.09622	2.9
222.06938	1.7
222.10327	1.3
222.48267	1.3
223.07553	8.2
224.04614	2.7
224.08340	6.3
225.05554	1.8
225.09109	5.3
226.06221	6.7
227.06964	5.6
227.10641	1.6
228.07896	5.3
229.08441	1.4
231.58878	1.3
234.06783	2.2
235.07524	4.6
236.08260	3.3
237.05502	2.8
237.09065	3.7
238.06155	3.4
238.09842	10.7
239.06998	25.6
239.10583	15.9
240.07794	7.9
241.05020	6.0
241.08568	15.0
242.09041	1.2
243.06525	17.0
243.13692	1.2
249.09074	4.6
250.09740	1.9
251.06966	2.6
252.04204	1.8
252.07774	4.9
253.04971	2.9
253.08577	10.4
253.12242	4.4
254.05624	2.5
255.06450	6.8
256.07291	18.7
256.10941	2.9
257.07779	2.2
258.08902	3.1
263.07108	1.5
265.08771	2.2
266.09256	3.4
267.06573	5.3
267.10153	27.4
268.07288	24.0
268.10397	2.5
269.08026	23.5
270.08618	2.1
271.09906	7.4
271.13107	6.7
279.06543	1.2
279.26785	1.8
281.08078	3.9
281.11752	3.7
283.09705	2.1
284.06787	4.5
284.10394	9.3
285.07770	1.6
285.11053	4.3
286.08258	6.8
295.09549	8.3
296.10361	10.7
299.09183	100.0
299.12744	17.3
300.09381	5.5
300.12527	1.4
309.27673	1.7
312.09995	2.8
313.10632	19.5
314.11115	1.7
317.13760	2.5
327.12238	82.6
328.12650	4.9
345.06015	6.1
345.13281	72.9
345.16556	3.4
345.26550	1.6
346.13708	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68909	0.9
53.03939	1.0
55.01859	1.4
55.05486	1.1
57.03444	0.9
65.03925	1.1
67.05489	2.4
69.03410	1.8
69.07032	3.3
71.61527	1.4
79.05488	3.0
81.03397	1.5
81.07042	4.7
85.02888	3.4
85.06526	1.2
91.05458	5.3
93.07018	3.1
94.04171	1.0
95.04949	2.6
95.08568	2.7
97.02863	1.2
99.08083	1.5
103.05456	8.9
105.07001	2.9
105.07711	0.9
107.04957	2.7
107.08579	3.1
109.06481	2.6
109.10158	2.0
111.04427	4.5
115.05433	1.7
116.06219	1.1
116.98577	1.2
117.06984	4.1
117.44263	0.9
119.04920	2.3
119.08539	2.3
121.02877	2.1
121.06488	3.5
121.10120	1.8
122.03632	4.0
123.04416	1.6
123.08057	2.7
123.11687	1.7
124.07678	1.1
125.06104	1.2
128.06219	1.6
129.06940	1.1
131.04906	17.1
131.08530	1.1
132.01289	1.0
133.06435	1.2
135.08052	2.1
137.05957	54.1
139.03908	2.7
143.08656	1.2
145.06461	3.2
147.04356	1.1
147.11685	2.2
149.09610	2.0
149.13211	1.4
151.03922	1.0
151.07530	14.4
153.06946	2.4
161.05957	3.3
162.06709	3.3
163.07530	38.5
165.05525	1.6
165.06952	3.5
165.12711	3.2
167.07056	2.3
171.08113	1.1
173.05975	1.3
175.07558	3.4
177.09085	100.0
178.07802	2.1
178.09380	1.3
179.08629	1.9
181.04893	2.5
181.06447	2.4
183.06509	1.3
183.08072	1.7
183.13828	1.6
191.07019	3.5
195.08220	1.8
195.10136	8.2
197.06047	1.5
198.06712	1.8
203.10606	1.5
206.07419	1.3
206.62090	0.9
207.08017	2.7
210.06857	1.6
211.07487	3.1
212.57990	0.9
213.05333	1.0
219.10341	1.1
221.05940	1.3
221.09741	1.7
221.11684	8.7
223.07442	1.8
224.08226	1.6
225.08984	1.2
226.06267	3.4
235.07468	2.1
236.08243	1.0
237.05470	1.0
238.06171	2.9
238.09784	1.7
239.07019	8.2
239.10590	3.8
240.07826	2.0
241.08563	2.1
243.06639	2.6
249.09079	1.3
251.07127	1.5
252.07809	2.2
253.08685	2.4
255.06461	3.1
256.07193	2.7
267.07288	1.3
267.10114	8.3
268.07257	3.7
269.08047	3.6
270.08704	1.2
271.09775	1.4
281.08136	1.2
281.11575	1.2
283.09207	1.1
284.06894	2.1
284.10199	1.9
285.11060	4.7
286.08319	4.3
291.26572	1.4
295.09579	3.2
296.10263	2.2
299.09131	25.1
299.12756	12.1
300.09470	1.3
300.13089	1.2
312.09811	1.3
313.10678	13.3
317.13986	1.4
327.12189	16.0
328.12656	1.1
345.06509	8.2
345.13293	25.0
346.13535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84441	0.9
54.45845	0.7
67.05495	1.0
71.37355	1.4
72.68142	0.7
79.05485	1.0
81.07057	2.3
89.80036	0.8
91.05492	2.2
93.07074	1.9
94.04173	1.4
95.08614	1.1
103.05457	9.4
105.07022	1.0
107.04958	0.9
115.05473	1.4
117.07001	4.0
119.04947	1.2
121.06504	2.0
122.03644	3.4
123.08067	1.3
131.04918	13.5
135.08107	1.8
137.05965	47.0
143.08543	1.1
145.06459	1.6
151.07533	12.1
162.06752	2.4
163.07542	38.6
171.08078	1.2
175.07559	4.0
177.09100	100.0
178.09474	2.9
180.55124	0.8
195.10153	9.2
203.10728	2.4
221.11717	7.4
223.04195	0.9
266.47607	0.8
267.10303	0.8
299.09555	0.9
299.12827	3.2
345.13223	1.3
355.87289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05508	1.4
65.78625	0.9
67.05491	2.9
69.03412	2.7
69.07047	1.3
71.04999	4.6
71.61032	1.5
78.03413	1.2
79.05489	6.4
79.57122	1.0
81.03419	1.6
81.07032	4.9
83.04973	1.9
85.02906	3.5
85.06516	1.3
91.05473	6.4
93.07037	5.9
94.04193	2.7
95.04980	2.2
95.08586	5.7
97.02901	1.6
97.06532	1.1
99.04462	1.3
103.05466	10.4
105.07044	6.6
107.04942	2.0
107.08596	2.8
107.41525	0.9
109.06503	2.6
109.10147	2.8
111.08013	1.3
115.05397	1.1
117.07011	2.4
119.04907	1.2
119.08582	3.2
121.06496	3.7
121.10113	2.0
122.03634	8.6
123.04476	1.7
123.08053	2.5
125.09683	1.1
128.06212	1.7
129.06970	1.1
131.04907	11.1
133.06474	16.4
133.10124	2.0
135.08051	7.8
137.05966	100.0
137.09610	2.6
138.06306	2.7
143.08516	1.5
145.06479	4.2
145.10103	1.6
147.04454	1.7
147.07988	2.3
147.11684	1.7
149.05963	1.9
151.07588	6.5
157.06529	1.7
159.11696	1.2
161.05980	1.9
163.03845	1.1
163.07536	34.2
165.05383	1.2
165.09094	2.7
165.12672	1.2
171.08028	1.0
175.07535	2.1
177.09090	3.6
189.09094	2.0
191.07098	1.7
203.10625	2.0
207.08118	0.9
225.14787	1.5
227.06950	1.1
239.06767	1.0
241.08670	1.0
245.12880	1.6
253.08725	1.7
255.06491	1.3
263.10568	1.8
267.10175	1.1
273.18512	1.7
285.11343	1.5
285.63806	1.1
286.46326	0.9
295.09732	1.2
295.13354	3.2
299.05750	1.5
299.09329	3.0
299.12762	1.8
303.05106	1.5
309.08466	1.1
313.10654	2.1
327.09451	3.1
327.12796	1.3
327.16010	1.3
328.12460	1.3
330.10980	1.1
345.05963	2.9
345.13321	5.0
345.17825	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01863	4.9
55.05258	0.9
55.05507	13.8
56.96545	0.8
57.03438	2.5
57.03661	0.4
57.07069	0.7
65.03940	0.6
67.05495	13.2
68.05828	0.5
69.03415	1.8
69.06703	0.8
69.07059	11.2
71.04984	1.8
71.63276	0.7
77.98302	0.5
79.05483	16.2
81.03412	5.1
81.07049	37.0
82.07370	0.6
83.04975	4.9
83.08611	6.6
85.02887	1.9
85.06521	0.7
91.05470	9.2
92.05793	0.6
93.07035	10.2
94.04194	0.7
94.10748	0.5
95.04962	9.9
95.08600	6.2
97.06506	1.4
97.10158	9.6
99.04445	1.1
105.03391	0.7
105.07022	12.0
107.04942	3.8
107.08582	8.3
109.06503	3.6
109.10136	4.8
111.04425	3.5
111.08066	2.5
117.01032	1.0
117.06996	7.5
119.04906	0.9
119.08566	18.4
121.06493	6.2
121.10111	6.4
123.04439	0.5
123.08054	32.5
125.09631	8.1
128.06226	0.9
129.06993	2.7
131.08560	6.7
133.00516	1.4
133.06490	1.0
133.10115	2.9
135.08037	4.0
135.11632	2.3
137.09557	2.8
139.11212	0.8
142.06586	0.5
142.07744	1.1
143.08559	4.2
145.00487	1.5
145.06485	0.7
145.10101	9.6
147.08031	9.2
147.11693	1.6
149.09584	3.0
153.09160	1.1
153.12691	0.7
155.08493	0.6
157.10109	3.4
159.08061	1.4
159.11671	2.3
161.09612	3.9
161.13202	0.6
163.11169	4.0
165.09076	1.4
169.10071	0.8
171.10144	3.1
171.11699	1.7
173.07310	0.8
173.09613	1.2
175.11185	1.7
177.12640	0.8
183.11824	0.6
185.13251	1.4
189.11197	7.7
189.12796	0.5
191.82721	0.5
193.12244	1.3
195.11591	0.7
199.11086	0.7
201.12709	0.6
205.12213	0.6
215.14418	0.5
219.13878	1.2
223.13326	5.0
227.17886	1.3
231.13786	0.6
235.13193	1.0
237.14691	6.2
245.18892	1.5
249.14862	2.1
255.17462	2.6
273.18475	25.8
291.19510	100.0
292.19916	1.9
309.16043	3.6
309.21161	0.5
327.17145	5.5
332.51093	0.5
345.11780	0.7
345.18143	3.1
345.30963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94854	0.5
55.01847	0.8
55.05487	1.5
57.03431	0.6
57.07064	1.2
61.02893	1.0
63.55347	0.6
65.03909	0.6
67.05487	1.9
69.03425	7.5
69.06717	0.7
69.07059	9.7
70.06576	0.5
71.03509	1.4
71.04982	0.9
71.60962	0.5
75.16291	0.5
79.05470	1.8
81.03403	1.6
81.07050	15.7
83.04961	3.9
83.08608	1.0
85.02894	8.0
85.06528	4.1
91.05437	1.2
91.38577	0.5
93.07029	1.6
94.06555	2.3
95.04936	1.8
95.08601	3.3
97.02874	1.4
97.06514	1.8
99.04440	2.8
99.08082	11.3
103.05443	1.8
105.07011	2.1
107.04935	1.7
107.08588	3.4
109.02885	0.7
109.06506	3.7
109.10162	2.5
111.08073	1.2
113.05986	1.4
115.05460	0.7
116.04951	0.7
119.01888	0.8
119.04951	0.7
119.08535	1.0
121.10133	8.8
122.05995	3.5
123.04436	1.0
123.08083	2.8
123.11700	4.7
125.09610	6.1
127.03914	1.2
127.07520	2.1
131.04887	2.4
137.05963	7.4
137.09590	2.2
137.13240	2.2
139.11168	7.4
140.07050	6.4
144.04413	1.6
145.04950	1.4
146.06007	1.0
147.04396	1.1
147.11679	1.5
151.03885	0.6
151.07535	0.8
162.05499	1.5
163.07520	6.0
165.12709	5.6
172.03920	8.2
175.07512	1.0
177.09082	8.5
183.13792	100.0
184.14136	1.2
190.05029	0.7
195.10176	0.8
203.10738	0.8
204.06548	13.9
206.08093	2.8
243.10930	0.9
254.66888	0.5
299.09088	0.5
299.12717	0.6
303.04919	1.5
313.11465	0.8
327.12350	1.1
331.12686	0.6
342.75296	0.5
345.06113	1.4
345.15216	9.6
345.19263	0.5
346.15176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.7
55.01864	4.0
55.05256	1.9
55.05505	19.6
56.96548	6.2
57.03424	2.7
57.07074	10.6
59.04978	2.7
60.04503	3.8
65.03918	1.9
67.05496	29.3
69.03419	6.6
69.07060	60.7
71.04948	3.7
71.08629	3.5
71.61662	3.9
73.06541	2.0
75.68905	1.6
79.05482	16.3
80.51100	1.6
81.03412	3.1
81.07047	100.0
83.04958	4.4
83.08610	20.4
85.02876	3.9
85.06138	1.8
85.06547	20.0
91.05463	13.1
93.07037	34.3
94.04092	1.7
95.04929	5.4
95.08599	83.8
97.05956	1.7
97.06488	8.4
97.10140	6.4
98.97572	2.4
99.08076	9.6
103.05441	1.6
105.00064	2.4
105.07034	14.0
107.08581	34.0
109.02905	2.0
109.06464	4.0
109.10150	40.6
111.04426	7.3
111.08074	23.5
111.11706	14.7
113.09595	2.0
115.07475	1.8
116.98602	2.6
119.08586	11.2
121.10124	19.4
123.04401	7.2
123.11704	28.1
125.09599	5.7
125.13255	3.6
127.11164	3.9
131.04906	4.2
131.08563	3.4
133.10100	7.3
135.11699	15.2
137.05959	9.3
137.09570	3.3
137.13240	26.1
139.03897	3.4
139.11176	4.7
143.08575	2.8
145.06529	1.9
145.10149	2.5
147.04382	5.9
147.11635	6.2
149.13255	28.8
151.03893	3.9
151.07501	2.1
151.14819	2.8
153.00702	2.0
153.12735	15.0
155.14246	6.7
159.08049	2.9
159.11609	2.4
161.05952	3.1
161.09608	2.9
161.13289	4.3
163.03915	3.0
163.11133	2.8
163.14780	5.8
165.05472	6.4
165.06923	1.8
165.12793	2.6
167.03500	1.7
167.14301	6.0
171.13879	2.2
173.15373	1.8
175.07521	2.1
176.04572	1.8
177.00650	3.5
177.09085	1.9
177.16370	4.4
179.08450	2.4
181.04918	2.3
181.06487	2.0
191.17900	2.6
193.08540	4.1
195.07948	2.5
197.05975	2.2
198.06766	4.4
203.07022	2.3
207.02739	2.1
211.07423	3.1
211.11246	2.8
213.09036	2.2
225.09024	3.8
227.07089	2.9
238.09839	3.9
239.06987	5.5
239.10678	4.2
240.07695	3.7
241.08548	4.2
243.06380	2.5
249.09059	2.1
253.08440	4.1
256.07306	4.5
267.07315	1.9
267.10028	8.5
268.07217	5.5
269.07996	6.9
271.09601	2.6
271.13199	2.2
273.25513	3.6
279.26797	7.1
284.10483	2.2
285.11096	2.3
286.08524	2.5
291.26730	12.8
295.09702	4.9
296.10284	3.3
297.27792	4.2
299.09091	26.1
299.12634	6.9
300.09579	2.3
309.27823	19.8
313.10681	9.4
327.08423	2.7
327.12167	22.4
327.28943	4.3
328.12860	2.6
328.24799	3.3
345.06006	4.7
345.09973	2.3
345.13370	27.3
345.24881	2.5
346.13565	4.2
346.25604	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	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01867	3.3
55.05487	1.4
56.57251	0.7
56.96561	1.6
57.03431	3.6
60.04523	8.1
61.02922	9.5
67.05505	2.3
69.03428	19.5
69.07088	1.5
69.85255	0.7
70.06575	2.6
71.04981	2.8
71.63595	1.2
72.08146	2.8
73.02908	4.3
74.00680	0.7
75.10931	0.6
76.27509	0.6
79.05479	5.2
80.05028	0.8
81.03416	8.5
81.07048	10.8
83.01324	0.9
83.05041	0.7
84.04501	1.5
84.08142	1.2
85.02900	100.0
86.09687	5.2
87.04452	2.4
91.03959	6.9
91.05483	3.3
93.07058	4.2
95.04943	0.7
95.08605	1.7
97.02885	26.1
99.04458	4.6
103.05462	10.0
105.07008	0.8
107.04962	2.8
107.08613	0.9
109.02866	8.8
109.10166	0.8
110.94279	0.8
115.03248	1.8
116.98579	0.9
119.04919	0.8
119.08532	1.4
120.08101	1.0
121.06499	83.2
121.10135	4.9
122.06874	0.8
123.04458	1.8
123.08077	1.0
123.11700	1.4
125.06004	2.5
127.03907	26.6
131.04927	3.3
135.04495	1.6
137.05946	1.2
139.03946	1.1
139.07541	3.5
139.11197	1.1
145.04950	45.7
147.04395	2.5
149.05981	3.4
151.03851	0.9
159.26221	0.8
163.03897	5.0
163.05983	10.6
165.05351	0.8
167.07034	16.4
167.08380	1.1
167.10663	8.3
177.05612	0.9
180.08627	1.1
181.08641	0.8
184.09700	3.1
185.11736	10.5
218.05852	1.0
222.48294	0.8
236.47101	0.8
241.19321	0.8
253.77263	0.8
301.11066	0.9
318.18301	1.1
328.24908	1.4
329.12341	2.4
346.14896	1.8
346.25854	8.4
347.08362	0.9
347.12402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01872	1.4
55.05489	0.7
56.05032	4.3
56.78830	0.5
56.96293	1.0
56.96561	18.4
57.03439	4.6
59.04989	1.3
61.02920	10.1
63.78987	0.6
66.56584	0.6
67.05486	0.7
68.31326	0.6
69.03423	8.2
69.76728	2.3
69.77130	1.2
70.06577	1.5
70.98111	1.4
71.01318	0.7
71.04970	1.5
72.08149	0.9
73.02905	5.0
81.03426	3.2
84.08130	1.2
84.96015	2.1
85.02896	19.3
86.03252	0.7
86.09700	1.1
87.04453	2.1
91.03922	1.6
91.05457	0.7
93.07044	0.8
94.06506	0.8
95.85930	0.7
96.08107	1.3
97.02885	9.3
97.10232	0.5
98.03227	0.8
98.21455	1.2
98.97572	12.2
99.04440	1.9
101.02354	0.7
106.58617	0.6
107.00171	0.6
107.04939	0.8
108.08107	2.3
109.02864	1.9
109.08886	0.9
110.09671	3.2
110.97562	2.1
113.03487	1.3
115.00679	1.3
115.02477	1.1
115.03869	0.9
116.98605	9.8
119.01857	4.6
120.08090	1.8
121.03431	0.9
122.05998	1.0
123.04501	0.8
123.06789	2.2
124.07549	1.5
127.03911	6.5
128.98602	4.2
131.00162	1.9
131.01880	2.5
133.01720	2.7
133.03424	2.5
133.04280	1.5
133.05144	1.0
134.99670	5.6
135.05113	1.0
136.06415	0.9
136.07567	15.0
137.08350	22.7
138.05463	1.1
138.09126	8.3
140.00160	0.7
140.04976	2.2
140.98528	0.8
141.03050	0.9
142.96518	1.1
143.00194	1.3
143.01872	2.5
145.01666	0.9
145.03445	1.8
145.04942	2.7
146.99641	3.7
147.03218	0.8
148.03883	2.4
148.06361	1.0
148.07559	18.9
149.01205	1.6
149.02914	1.3
150.01764	1.4
150.03659	1.5
152.07040	2.3
153.00575	1.0
153.07813	1.2
154.08629	3.1
155.01904	1.7
157.04404	1.9
158.99667	3.3
159.05014	1.1
161.01149	1.4
161.02911	3.1
162.99117	0.6
163.04160	1.3
165.00616	0.9
166.04927	2.0
166.08626	75.7
167.01923	1.0
167.05423	1.0
167.06956	0.9
167.09010	1.2
171.05003	1.0
172.94350	2.2
172.97507	1.4
173.01227	1.2
173.02921	2.4
174.04538	0.9
174.99113	1.1
177.00703	3.9
177.02174	0.8
178.05023	1.1
183.07663	0.9
184.06084	5.9
184.09668	61.2
184.97658	0.9
185.02951	1.7
185.10042	1.3
187.00832	0.9
187.04364	0.7
188.02480	1.0
189.00717	2.0
189.02382	0.9
189.06187	1.2
190.95381	4.1
190.98561	4.3
191.02295	1.2
191.03911	1.4
193.00166	1.0
194.94771	1.0
197.03026	1.0
197.04836	1.4
201.00754	2.2
202.98656	1.3
203.02231	1.3
203.03918	1.1
204.05545	1.0
205.00110	1.1
205.03624	0.8
205.05992	0.8
206.98155	0.7
207.01730	1.0
208.96510	1.5
208.99709	1.3
210.08868	1.5
212.06993	3.1
212.57036	1.0
213.05167	1.7
214.08253	4.1
214.95413	1.8
214.98569	1.3
219.01717	4.3
219.03607	0.8
221.05016	2.2
223.01189	0.8
227.05667	1.3
228.05725	1.6
230.98099	1.3
231.03400	0.9
232.96472	9.7
232.99680	2.6
234.06590	3.4
235.02792	1.5
235.04727	1.5
235.06648	1.3
235.53021	1.1
237.02740	5.4
239.00671	0.9
242.05461	2.1
243.08354	2.1
243.59224	0.8
244.09288	0.9
245.05026	2.0
246.05400	0.8
247.06558	1.5
248.07732	1.0
248.99142	3.0
249.06912	0.9
250.97469	4.4
256.07230	0.6
261.08310	1.0
261.11490	1.0
263.00772	1.1
265.07828	3.4
267.00369	1.5
273.99194	1.4
274.97623	0.8
279.09225	2.1
279.12366	0.7
281.01761	3.4
281.05273	1.4
287.09763	0.9
292.98575	1.3
304.98578	1.4
305.10571	5.4
316.08704	2.5
316.13861	1.3
322.99438	1.1
323.02863	2.2
323.11667	6.9
328.09940	0.9
328.13739	1.4
346.05072	3.4
346.11136	5.2
346.14935	100.0
347.08252	1.3
347.15366	3.8
364.05753	3.2
365.12701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76113	2.0
55.01842	1.9
55.05503	21.5
57.03423	5.6
57.07058	2.7
57.10484	2.0
67.05494	64.1
69.03436	2.3
69.07054	18.1
69.40093	1.9
70.24333	6.8
70.24694	4.3
71.04987	3.2
79.05480	20.6
80.28142	2.0
81.07047	40.6
82.07336	2.2
83.04962	4.8
83.08617	19.0
91.01393	2.0
91.05460	15.4
93.07047	21.5
95.04972	3.4
95.08593	22.3
97.06516	4.7
97.10155	16.1
105.07014	18.0
107.04934	3.3
107.08588	31.7
109.10146	52.5
110.10461	3.2
111.08083	4.2
117.06982	3.2
119.08542	18.3
121.06521	2.3
121.10136	8.9
123.11672	4.3
125.09629	14.7
131.08560	6.6
133.10133	11.5
135.08020	3.5
135.11644	4.2
137.09596	3.6
145.10092	6.2
147.06047	2.1
147.11691	5.5
149.09573	8.3
149.13234	7.3
155.10652	15.2
159.11703	8.4
161.13239	3.6
163.11156	4.0
173.11722	100.0
173.13046	3.9
174.12010	2.5
177.12764	4.3
188.00977	2.1
189.11203	18.2
190.14534	2.7
191.83400	2.1
195.00534	1.9
195.13766	16.0
213.14807	14.2
214.50697	1.9
239.17863	3.0
257.18979	4.7
275.20050	49.4
276.20169	3.3
293.21060	7.5
311.51593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
55.05502	16.3
56.96547	10.3
57.03425	3.6
57.07052	3.7
60.45393	2.5
67.05495	18.8
69.03400	5.6
69.07056	13.8
71.04958	3.8
71.61657	5.0
79.05482	15.8
80.82327	3.0
81.03410	5.5
81.07053	31.9
83.08614	11.0
85.02921	6.8
85.06552	4.1
87.20245	3.5
91.05487	21.2
92.00869	3.3
93.07018	23.6
94.31495	3.1
95.04967	4.8
95.08597	24.6
97.10170	7.8
98.69055	3.3
98.97585	7.9
99.08063	6.6
105.07024	22.1
107.08591	27.3
109.06485	5.2
109.10162	16.7
111.04429	3.4
111.08070	5.8
116.98600	4.5
117.07016	8.7
119.08573	25.3
121.06501	4.6
121.10150	13.9
123.11673	3.6
125.09607	9.1
131.08578	9.3
133.10135	18.8
134.99689	3.9
135.08035	4.5
135.11696	5.0
137.05952	6.8
137.09627	5.5
143.08498	6.8
145.10117	10.9
147.04436	5.5
147.11668	14.3
149.09604	7.2
149.13287	3.5
151.11095	3.7
157.10165	6.0
157.46317	3.7
159.11678	7.1
161.13214	5.7
163.11247	6.5
171.11760	4.2
173.13179	4.2
175.03903	5.1
177.00580	3.8
177.05437	7.8
189.05417	4.2
195.08888	3.0
213.16309	4.9
215.67590	3.0
231.17406	6.7
249.18459	23.3
256.65833	3.7
257.19083	5.2
275.20041	100.0
276.20392	6.1
293.21106	6.0
301.14349	8.3
311.22159	13.4
316.61612	3.7
328.12784	3.3
346.13553	7.1
347.18341	30.7
347.22086	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	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
54.55122	0.4
55.05490	1.1
56.96563	0.5
57.03426	0.4
67.05496	1.3
68.99769	1.2
69.03409	0.9
69.07053	0.8
70.67134	0.8
71.04984	0.7
74.28099	0.4
79.05477	0.8
81.07035	1.5
83.08628	1.0
84.04469	0.6
85.02901	0.8
85.13882	0.4
86.09699	0.5
91.05483	2.5
93.07030	1.3
95.04935	1.2
95.08588	1.9
97.06512	0.5
98.20954	0.7
98.97568	0.5
100.11238	1.3
103.03937	0.4
105.03352	0.7
105.06998	1.9
107.04932	1.4
107.08578	1.0
109.02819	0.7
109.06532	0.4
109.10114	1.2
111.00780	0.4
111.04428	1.1
114.05487	0.4
119.08550	0.9
120.08054	0.4
121.02837	2.0
121.06481	0.8
121.10115	1.1
123.04397	0.9
124.01538	0.4
129.06999	0.8
131.04955	0.5
131.08560	0.8
133.10117	0.8
137.02354	1.9
137.05934	1.5
138.03058	0.5
139.03870	4.8
143.08560	0.5
145.09999	0.4
147.04462	1.2
147.08051	0.6
147.11667	0.8
149.05923	0.6
149.13190	0.6
150.03102	0.8
151.03955	1.0
151.07578	0.4
153.01816	11.1
153.05444	6.5
154.06224	0.9
155.08501	0.4
157.06496	1.1
157.10152	0.7
158.37598	0.4
161.05908	0.6
165.01851	3.6
165.05449	0.5
167.07010	1.5
171.04370	0.7
175.07521	1.0
178.02565	0.7
181.04910	2.0
181.06418	0.5
181.08559	1.0
181.54253	0.4
183.02876	1.1
185.05916	0.5
193.04903	0.4
195.11678	0.4
201.05472	1.1
207.02885	0.5
207.06505	0.7
213.05496	1.2
216.04160	1.7
217.05026	0.6
229.04948	3.6
230.05717	1.7
231.06378	1.3
233.04385	0.6
237.16429	0.7
239.18039	1.0
241.05009	1.1
241.09560	0.5
243.02905	1.4
243.06680	0.5
244.03592	2.5
245.04198	0.7
251.10497	0.9
255.02878	1.1
257.04376	2.4
258.05280	8.3
259.06067	2.9
261.03949	0.9
269.04437	2.5
272.03119	0.7
283.02399	0.9
283.16895	1.1
284.03149	0.9
285.03836	2.5
286.04672	7.7
287.05487	11.9
288.05933	0.7
289.03375	1.4
291.08423	2.3
300.02606	0.7
301.03641	0.8
302.04300	0.8
303.04971	5.8
304.05536	0.6
313.03424	1.5
314.04068	1.7
315.05020	3.5
316.05496	0.5
317.02774	0.6
331.04434	8.3
332.05023	3.1
347.07578	100.0
348.07925	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88424	0.3
55.01846	0.4
56.60492	0.3
56.96553	1.7
57.03433	0.5
57.07058	0.5
61.02905	0.7
66.37561	0.3
67.05521	0.3
69.03401	1.5
70.06574	0.9
70.29395	1.6
71.04968	0.6
73.02903	0.4
77.00917	0.5
81.03396	0.7
82.99791	1.8
83.06107	0.6
85.02898	2.8
85.06513	0.5
95.04926	0.3
97.02866	1.0
98.97582	1.7
99.04457	0.5
101.00244	0.6
101.00864	6.0
103.02396	0.4
109.02809	0.4
115.00672	0.3
116.98604	1.2
119.01911	23.0
120.02013	1.0
123.04391	0.7
127.03881	1.3
131.01878	1.3
133.03467	0.4
136.06142	2.3
137.02940	4.3
137.05971	0.8
143.01881	60.4
144.01996	3.1
145.03456	0.7
145.04909	0.7
147.04343	0.5
149.03015	0.4
155.01901	0.8
157.03470	0.5
158.95364	0.3
161.02939	100.0
162.03065	5.3
167.06990	1.2
173.02977	2.0
179.04044	0.7
184.04562	5.2
185.04568	0.5
185.06598	1.1
185.09222	1.9
186.07657	0.3
197.06537	0.8
203.03989	43.7
204.04175	2.9
219.01735	0.5
221.05046	1.3
227.07578	2.0
237.02820	1.0
245.05182	0.7
287.09717	20.1
288.10007	1.2
301.12451	0.5
305.10751	2.0
323.11621	1.1
347.12170	4.8
347.18198	0.3
348.07077	0.5
348.12164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.131
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.11006	0.4
56.96552	2.2
61.02899	0.4
61.49865	0.4
65.83637	0.5
68.36012	0.5
69.03426	1.3
69.07043	0.4
70.60513	1.3
81.03426	0.7
84.04489	0.6
85.02915	2.7
89.03920	0.7
91.05444	1.2
92.54053	0.4
96.04466	0.5
97.02908	1.3
98.97585	1.0
99.04390	0.5
99.05600	0.5
99.09197	0.8
102.19170	0.5
105.09601	0.4
108.41903	0.4
109.02863	0.5
116.98594	1.0
119.01888	0.8
119.04915	1.8
120.05280	0.6
123.04406	1.5
127.03904	0.7
134.99631	0.8
135.04387	1.0
136.06166	1.4
145.02808	0.5
147.04398	5.0
148.04732	0.5
154.88708	0.4
161.02998	0.5
161.06058	0.4
161.13069	0.4
163.03888	3.6
167.06819	2.7
173.02983	0.5
177.00589	0.6
179.03284	0.5
185.04286	3.1
185.07829	12.0
203.05302	4.9
237.00766	0.7
237.02876	0.7
255.01813	0.9
284.02460	0.5
285.13113	3.8
301.12585	21.1
301.16019	1.1
305.10660	1.2
319.12595	0.5
323.11752	1.0
329.12024	0.6
347.13089	100.0
347.16589	4.4
348.13538	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1672
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.01866	0.3
57.61029	0.2
69.47237	0.7
69.47640	1.9
81.07064	0.4
84.97035	0.3
85.02900	0.5
88.28314	0.3
90.06199	0.3
91.05472	0.6
93.07049	2.3
98.20785	0.5
102.82658	0.2
105.06999	0.3
107.04958	0.4
110.33788	0.3
121.10148	2.4
137.05971	0.3
147.04396	0.5
149.09558	0.3
167.07051	0.6
167.10672	0.8
175.07512	0.5
181.08681	0.4
185.11542	1.8
220.10048	0.3
251.00784	0.3
252.73340	0.3
256.03232	0.5
267.07434	0.3
292.78589	0.3
329.11099	0.4
330.03329	0.7
330.06818	0.3
347.16724	100.0
348.17010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1698
Annotation	(-)-Nepetaside
Peak:m/z	Relative Intensity
55.05532	1.5
57.03424	2.1
67.05504	5.3
69.03430	1.5
71.08009	2.2
74.00661	1.4
79.05502	6.2
81.03400	1.8
81.07053	54.7
84.04509	1.9
85.02898	3.9
88.89149	1.4
91.05499	2.1
93.07054	8.2
95.04987	2.3
95.08602	7.4
97.02904	1.3
97.06527	3.9
105.07000	1.7
107.04979	1.8
107.08607	2.7
109.10193	1.9
111.08065	1.7
115.03280	2.2
121.10136	33.7
123.08066	1.9
123.11693	18.2
125.05957	11.8
135.59349	1.5
137.06027	1.8
139.11150	7.7
149.09630	2.6
158.38646	1.5
163.03859	1.3
167.10667	57.6
168.11060	1.6
169.99463	1.4
185.11722	100.0
218.05933	1.4
245.94356	1.3
347.12503	1.5
347.16949	1.4
347.21741	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	347.1698
Annotation	(-)-Nepetaside
Peak:m/z	Relative Intensity
50.21746	0.8
51.45469	1.1
55.05507	1.8
56.96542	1.6
57.03418	1.8
59.04978	1.0
60.04520	1.4
61.02917	3.1
61.10181	0.9
62.47924	1.0
67.05501	5.1
69.03425	5.0
69.07060	2.1
70.06580	1.5
71.04999	1.3
71.23907	2.2
72.08134	2.2
73.02908	1.6
74.00672	1.4
75.04463	1.0
79.05486	10.1
81.07050	57.7
81.88567	1.0
83.05014	1.2
84.04480	3.6
84.08151	1.2
85.02902	14.4
86.03220	3.6
86.09697	1.7
87.04485	1.2
91.05453	3.0
93.07028	10.6
95.04958	1.0
95.08596	7.1
97.02882	3.3
97.06530	2.6
98.97533	1.4
103.05488	2.1
105.07024	2.5
107.04957	2.9
107.08569	2.0
109.10118	2.3
111.08054	1.5
115.02567	1.1
115.03273	4.1
116.98611	1.8
119.08606	1.1
121.06501	6.6
121.10132	32.9
122.06820	6.9
123.04393	2.3
123.08092	1.9
123.11698	18.4
125.05988	15.5
127.03898	4.8
128.04272	3.0
129.06967	1.8
131.08621	1.1
135.04388	2.6
137.05959	2.5
139.03801	1.3
139.11180	8.9
145.02844	1.2
145.04953	4.6
146.05316	2.9
147.04391	3.1
149.05939	1.3
149.09601	3.4
150.47203	0.9
151.07600	1.1
153.05450	1.5
163.03883	11.2
167.07007	2.9
167.10661	60.6
168.07411	1.2
175.07547	2.0
177.05434	1.6
181.08623	1.4
185.11716	100.0
185.68761	0.9
186.12054	1.8
195.61429	1.1
213.15509	1.0
215.99106	1.1
218.06003	2.5
221.04915	1.0
301.10815	1.2
347.08206	3.2
347.11981	2.3
347.21945	1.6
347.29184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1824
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
56.96556	5.2
67.05480	1.1
69.07026	0.9
69.49444	6.2
79.05482	2.7
81.07053	2.4
88.89150	0.7
91.05471	1.4
93.07037	1.0
95.04967	0.9
95.08614	1.6
98.20734	1.2
98.21316	2.6
105.07024	1.8
107.04961	1.0
107.08587	1.0
109.10138	1.7
119.08575	1.2
121.08231	0.7
121.10098	1.1
131.08606	0.9
133.10101	0.8
137.05765	2.1
145.10081	1.3
151.07468	1.0
157.10083	1.0
183.11819	0.7
187.07217	0.8
187.14795	0.9
195.09900	4.2
227.18109	0.7
231.11028	0.8
233.11604	0.8
261.10938	0.8
311.16135	1.1
329.17239	27.3
329.21149	1.7
330.17508	1.6
347.18329	100.0
348.18610	5.1
365.16287	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	347.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92861	0.3
57.07055	0.5
69.52443	0.3
70.87805	0.8
71.08601	0.3
76.96846	0.3
77.13560	0.3
82.71753	0.3
95.08598	0.3
98.21110	0.4
104.34651	0.3
109.67061	0.3
119.08525	0.3
224.65668	0.4
263.12595	0.3
271.27939	0.3
273.90738	0.3
280.54697	0.3
325.64053	0.3
347.21878	100.0
348.22232	4.6
358.07483	0.3
365.21783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.95883	0.2
60.10052	0.3
69.47098	2.2
79.05497	0.3
81.07031	0.3
88.07585	0.3
95.08620	0.3
98.21080	1.0
110.50190	0.3
249.14883	0.3
285.29892	0.4
286.27463	0.2
299.31815	0.3
347.21893	100.0
347.33093	2.0
348.22238	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	347.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	32.0
56.96557	8.9
57.03418	8.3
57.07061	14.4
63.65705	3.7
67.05497	35.8
69.03421	6.3
69.07064	62.7
69.45987	37.2
71.08610	4.2
74.75078	4.1
79.05496	29.8
79.08829	3.8
81.03400	8.3
81.07049	100.0
83.04988	10.6
83.08607	42.7
84.04466	6.6
85.02877	8.2
85.06545	8.1
91.05460	28.0
93.07029	27.6
94.91355	3.4
95.04956	8.1
95.08039	6.6
95.08603	91.1
95.30993	3.5
97.02932	6.0
97.06520	4.0
97.10154	13.7
97.13132	3.4
98.21098	17.7
99.08068	7.0
100.55246	3.6
105.07030	22.9
107.04933	5.8
107.08592	23.6
109.06519	11.0
109.10155	46.5
111.08059	7.2
111.11690	13.0
113.09594	4.6
115.05468	4.6
117.06993	8.9
119.08576	12.6
121.06532	5.8
121.10141	16.6
123.07992	6.0
123.11700	29.7
125.13248	11.9
129.06932	6.8
131.08563	16.5
133.06468	6.2
133.10120	13.6
135.08020	9.4
135.11679	11.0
137.05954	8.4
137.13235	21.7
143.08508	5.6
145.10100	22.5
147.07994	7.2
147.11671	11.9
149.09567	4.1
149.13281	21.5
151.14812	11.8
157.10117	10.3
159.11682	7.6
161.06004	5.5
161.09567	8.5
161.13304	3.9
163.14812	8.0
165.16422	7.1
167.14328	5.5
171.79839	4.4
173.13225	6.5
177.16417	5.0
193.12245	7.0
211.13177	5.9
273.18457	7.9
275.27338	5.2
293.28281	15.0
301.14343	4.4
329.17227	5.9
347.18219	13.8
347.22491	28.1
347.26437	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	347.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	27.0
56.96552	7.5
57.03429	5.0
57.07064	17.8
57.20642	4.9
67.05495	32.0
68.33543	4.5
69.07063	62.0
71.04993	6.0
71.08627	11.2
71.63384	9.1
79.05469	20.1
81.07049	100.0
83.04984	7.6
83.08602	56.0
85.02912	7.2
85.06528	15.5
85.17896	4.5
91.05466	16.6
93.07030	32.1
95.04980	5.9
95.08595	83.2
97.06498	7.2
97.10148	21.9
99.08086	7.6
100.11241	9.8
105.07008	13.5
107.08594	28.7
109.10148	55.8
111.11708	17.4
119.08604	8.1
121.10134	22.9
123.11688	34.8
125.09524	4.3
125.13261	9.9
127.03846	4.6
128.06184	4.6
129.92592	4.4
131.08513	7.7
133.10130	5.7
135.11671	10.8
137.05992	6.5
137.13245	31.9
147.04353	6.3
149.13261	26.6
151.07526	9.1
151.14821	8.2
155.14302	7.1
163.14804	8.9
167.14317	17.5
170.12939	5.0
182.15372	6.1
198.14932	4.8
216.78566	4.7
232.49081	4.5
262.21393	5.3
269.10605	5.5
275.27307	9.8
293.28317	20.3
301.14157	11.9
347.14606	7.6
347.18365	20.3
347.22491	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.01851	2.4
55.05503	1.2
55.81601	0.9
56.04458	1.1
56.04985	1.6
56.96533	1.1
60.04528	5.9
65.03919	3.6
67.01842	1.8
67.05473	3.3
68.99773	5.1
69.03389	4.0
69.07037	1.0
70.06566	3.4
71.01333	1.3
71.04977	1.0
71.61340	1.3
72.08130	2.5
75.05477	1.1
77.03911	1.3
79.05444	2.2
80.04974	2.0
81.03378	2.9
81.07017	1.8
83.04936	1.3
84.04491	7.0
84.08138	1.4
85.02898	5.6
86.09672	1.8
91.05470	4.9
93.03385	2.0
94.06512	1.0
95.04927	4.5
97.02861	4.0
98.02383	1.8
98.06021	1.3
100.03954	1.5
105.03351	2.3
105.04496	1.1
105.06980	1.7
107.04922	2.6
108.04478	1.5
109.02822	3.3
110.05988	2.8
111.00713	1.6
111.04401	5.0
112.03946	2.0
118.06520	2.3
119.04941	6.1
120.08086	2.1
121.02793	2.2
122.05956	1.5
123.00791	1.9
123.04414	100.0
123.08022	1.6
124.03897	1.8
124.04731	3.2
125.02318	1.4
126.03681	2.4
126.05469	4.6
127.03901	5.3
129.06914	1.1
129.10196	1.7
130.06476	1.6
131.04861	3.0
132.04395	2.5
134.05966	4.0
135.04398	8.6
136.03864	3.1
136.06137	2.3
136.07538	2.3
137.02292	3.8
137.05951	2.9
138.05484	16.0
139.03883	78.7
140.03348	4.6
140.04292	2.2
142.04922	3.8
144.04807	5.4
144.08063	1.1
145.06386	1.6
146.05949	5.4
147.04388	19.7
147.09160	1.3
148.03864	5.2
149.02330	17.3
149.05898	3.0
150.02925	1.6
150.05505	5.6
151.03900	10.5
151.07477	1.8
152.07004	6.8
153.05437	1.6
154.04970	42.8
155.03394	16.9
157.06381	1.4
161.05954	2.7
162.05508	8.1
163.03889	28.5
163.06024	1.1
164.07077	11.4
165.01768	1.1
165.04213	1.0
165.05516	7.3
166.04985	39.5
166.08554	1.7
167.03293	2.4
167.05255	1.2
167.06999	1.4
168.05028	1.4
168.06494	11.2
169.04892	1.1
169.06447	1.5
169.08557	2.8
173.05830	1.2
173.07100	1.9
175.03798	1.3
176.06947	2.9
177.00676	1.0
177.05443	6.5
178.04939	12.3
178.08516	1.0
179.03348	4.7
179.05482	1.1
180.06526	40.7
181.04866	4.2
181.06854	1.5
182.08049	1.9
184.05931	3.6
185.05902	1.6
186.05814	21.1
186.07462	1.1
187.03831	2.2
187.13742	1.1
188.07130	1.2
189.05394	1.9
189.07726	2.5
190.09761	1.3
192.06525	5.6
193.04990	2.6
194.08096	7.9
196.06035	25.1
197.04366	1.9
197.05927	2.1
202.09702	1.6
203.07114	1.7
204.06642	5.3
204.08273	1.4
205.04857	1.8
208.06018	54.8
209.06297	2.9
210.07613	10.9
215.07069	1.1
228.06509	1.6
229.04869	2.5
230.09279	5.3
242.09286	1.2
243.06583	1.8
256.09631	1.6
267.06638	1.1
270.07550	2.1
271.06021	5.5
274.08380	5.8
274.10764	1.6
284.09134	3.5
285.07504	1.1
287.05365	1.9
288.08484	8.1
289.06897	5.9
294.07422	1.8
302.10162	3.1
303.08356	1.5
305.06537	1.9
306.09698	9.0
312.08704	6.1
313.06726	1.2
330.09698	16.2
331.04523	1.1
331.08060	4.0
331.13120	1.0
348.10773	55.6
349.10455	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08979	0.4
53.03951	0.6
55.01870	0.9
55.05502	0.4
56.96551	0.6
57.03416	1.4
60.04512	1.3
61.02906	0.9
67.05487	1.5
69.03417	4.1
69.07060	36.7
70.06583	2.8
70.07385	0.5
71.04986	0.5
71.44828	0.7
73.02908	0.7
73.17391	0.3
81.03410	2.5
85.02895	14.7
86.03186	0.4
86.09666	0.4
95.04960	2.4
97.02876	5.3
97.06535	4.2
98.97580	0.4
99.04446	0.7
103.03917	1.0
109.02854	2.2
109.10185	0.4
111.68836	0.3
112.07595	5.1
117.67970	0.4
119.04926	0.4
123.04408	2.1
126.05487	0.6
127.03910	3.1
127.35236	0.4
136.06172	2.6
136.07582	0.5
139.03943	0.5
140.07050	41.9
141.05470	1.2
141.07376	1.2
143.68303	0.4
145.04935	1.0
147.04384	1.0
154.08598	0.9
161.02951	0.5
162.03033	0.4
163.03944	0.8
164.07013	0.5
168.06543	100.0
169.06859	2.2
182.08102	9.0
186.07600	19.9
187.07986	0.4
203.74228	0.3
206.08119	1.7
210.07602	17.6
211.07857	0.6
216.44452	0.4
228.08669	2.2
234.07594	2.5
237.02811	0.3
244.06699	0.3
248.09119	0.5
252.08820	0.7
264.08606	1.1
276.08682	1.6
294.09613	0.9
330.11948	0.6
348.13434	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	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
55.01862	2.2
56.96284	2.2
56.96559	33.9
57.03422	4.8
61.02913	4.4
64.86668	1.4
65.03955	1.5
67.05490	3.8
69.03417	14.4
69.82712	6.6
69.83134	4.0
70.06561	3.4
71.04983	3.3
73.02888	6.3
77.38257	1.5
81.03403	6.4
84.04496	1.8
84.08104	2.0
84.96026	3.0
85.02898	31.6
86.09693	6.0
87.04465	4.1
89.03931	2.4
91.03954	2.2
91.05460	3.4
94.06558	6.5
95.04939	3.0
96.04531	1.6
97.02873	19.0
98.97569	27.8
99.04434	4.2
105.03408	1.7
106.06501	2.3
107.04974	3.6
108.04494	2.5
108.08118	3.8
109.02883	5.1
110.06050	3.5
110.97580	2.2
111.04456	1.5
112.99099	1.8
116.98614	24.7
119.01915	7.4
119.04962	6.1
120.01982	1.7
122.06015	60.7
123.04420	6.4
123.06828	9.2
124.07578	4.0
127.03937	8.3
128.98579	10.9
131.00156	3.7
131.01910	3.7
133.01643	1.9
134.99652	17.5
135.04411	2.7
136.06171	76.7
137.04675	2.3
137.05978	5.8
138.05487	30.6
139.03854	2.6
140.07040	6.0
143.00153	2.8
143.01947	3.6
144.02023	3.2
145.01703	2.5
145.04944	3.9
146.99663	11.2
147.04378	16.3
149.01192	3.1
149.62492	1.6
150.05479	71.5
151.06332	8.9
152.07057	6.7
157.01689	2.0
158.99628	7.8
159.03308	3.2
161.01228	5.8
161.02917	8.6
162.03137	5.0
162.99171	3.1
163.02692	2.4
163.03860	11.4
164.04396	1.6
165.00742	5.8
167.07057	7.2
168.06543	100.0
169.07234	1.7
170.08115	1.8
170.99628	1.9
172.94379	1.6
173.01340	2.0
173.02908	3.1
174.99152	5.2
177.00700	16.5
177.04272	5.2
177.05676	2.5
179.02238	1.9
179.07042	2.6
181.61142	1.5
182.08055	2.5
186.05031	2.0
186.07596	40.0
187.04468	14.6
189.00710	4.2
190.95450	2.1
190.98592	1.8
191.03802	1.9
193.00186	12.3
195.01657	2.0
200.02354	2.2
201.00674	3.0
201.04272	2.1
204.04176	3.0
205.00275	2.9
205.03815	2.5
208.96425	2.5
208.99580	2.0
209.08098	2.5
219.01762	11.9
219.05325	2.1
221.05127	1.7
221.91843	1.7
222.05255	1.7
227.09073	2.5
229.05516	6.4
232.96376	2.1
237.00607	2.3
237.02769	25.5
248.96007	1.9
250.97516	2.5
256.10495	1.7
258.07431	3.2
260.04388	1.7
261.02502	2.2
263.05875	1.9
279.03946	2.3
288.09967	2.8
289.07925	2.0
302.11957	2.4
303.07578	14.7
306.03949	2.0
306.11069	3.0
321.08563	18.9
324.11981	5.9
328.95755	1.7
330.11731	4.6
340.10672	2.1
348.06668	10.4
348.12802	32.3
349.07825	17.7
367.09210	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	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59037	1.5
53.03935	1.9
55.01842	1.6
55.05503	3.6
56.96559	2.3
57.01299	1.3
67.05496	16.7
69.03416	3.9
69.07060	3.1
69.58768	3.5
69.59182	8.8
71.04994	3.0
75.04469	2.2
79.05492	10.3
81.07037	8.5
83.04987	2.4
84.04510	5.1
85.02886	5.0
85.06527	2.7
91.05471	5.5
93.07039	39.9
95.04960	21.5
95.08606	3.4
96.43692	1.5
97.06525	6.2
98.21458	3.2
98.97603	1.7
99.04440	3.9
101.06017	2.2
102.49047	1.3
103.03981	1.3
104.38680	1.3
105.07021	14.0
107.08586	63.6
109.02897	1.8
109.06504	4.0
109.10116	3.9
117.07056	2.0
119.08563	14.5
121.06492	6.7
121.10134	60.5
123.08096	6.9
123.11661	1.7
126.05470	1.6
127.03859	2.3
130.07748	1.8
131.08575	1.9
135.08054	7.4
135.11676	21.3
136.06203	4.4
139.07524	3.3
145.10100	19.1
147.11703	2.5
149.09633	3.8
153.09114	7.3
163.11171	70.7
165.12723	6.5
173.09589	2.3
181.12221	100.0
190.08670	3.1
191.10658	32.3
209.11713	41.6
227.12767	87.9
288.02112	3.9
295.11606	9.7
302.14682	6.3
313.12656	2.1
316.65686	2.2
324.65640	7.5
325.66345	5.2
330.14175	2.7
331.13950	3.6
348.04398	10.5
348.12900	2.0
348.21582	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	348.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47134	0.6
53.03938	0.7
55.01859	0.8
55.05501	2.3
57.03435	1.3
67.05486	3.2
69.03413	2.9
69.07053	1.0
70.01963	1.3
70.02379	2.1
71.04985	3.9
71.61364	0.5
75.15368	0.5
79.05479	5.9
81.03404	1.9
81.07043	18.4
83.04967	1.9
84.04489	3.7
85.02882	2.0
91.05473	2.6
93.07033	16.3
95.04944	1.7
95.08609	1.4
97.06521	1.8
99.04442	5.8
101.06044	0.9
102.84257	0.5
103.03981	0.7
105.07013	21.8
107.08579	15.9
109.06523	2.3
117.07008	2.6
119.08562	7.1
121.06493	6.8
121.10127	23.9
123.08095	0.7
126.05526	1.2
127.03900	0.8
127.07516	2.4
130.07722	0.7
131.08565	1.4
135.08034	3.4
135.11678	9.6
139.07527	1.1
145.10101	23.0
146.10367	0.8
147.11690	2.0
149.05974	1.1
149.09599	1.8
152.50307	0.6
153.12796	0.8
163.11160	94.1
164.11488	1.3
173.09627	2.3
181.12218	9.5
184.53157	0.6
191.08882	1.2
191.10646	31.8
209.11702	100.0
210.12029	0.7
227.12750	20.2
285.10162	1.3
313.12808	1.0
348.12704	1.0
348.21674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01852	4.1
55.05504	20.0
56.96548	4.8
57.03429	9.3
57.07058	1.9
59.04986	3.3
67.05495	62.6
67.80116	1.3
69.03405	4.9
69.07060	15.3
71.04971	5.7
71.08611	5.9
71.60818	1.5
71.61200	1.7
74.15434	1.3
79.05476	21.6
81.03419	4.0
81.07048	41.8
83.04966	4.3
83.08604	14.8
85.02890	2.7
85.06508	4.0
91.05481	20.8
93.07025	24.9
95.04961	5.1
95.08600	25.4
97.06507	5.9
97.10163	12.7
99.08107	6.9
105.07014	18.8
105.94519	1.5
107.04948	2.5
107.08577	18.4
109.06491	4.5
109.10139	45.0
111.08080	5.1
113.09680	1.8
117.07006	7.1
119.08562	16.8
121.10114	8.4
123.08074	3.4
123.11710	2.5
125.09600	10.9
126.61721	1.8
129.07008	2.7
130.07742	1.6
131.08540	7.4
133.10126	14.5
135.08020	3.8
135.11684	7.5
137.09590	3.0
139.03886	4.1
141.12669	2.0
143.08459	1.9
145.10118	10.2
147.11697	7.4
149.09572	4.1
149.13261	8.3
151.11162	6.2
155.10617	14.2
157.10123	3.5
159.11639	11.5
161.13251	5.8
163.11147	6.6
165.12683	1.6
169.10107	2.0
171.10156	1.6
171.11714	1.5
173.11725	100.0
173.13141	4.0
174.11971	1.7
175.14662	1.7
177.12717	3.5
179.14278	4.2
183.11610	1.8
185.13177	1.9
189.11189	14.2
190.14365	2.4
195.13779	22.1
196.13861	1.4
196.33173	1.5
199.26045	1.8
200.43283	1.5
213.14792	10.7
213.16542	1.9
213.55608	1.4
239.18065	2.7
257.19000	6.4
259.20636	3.7
269.12357	3.1
275.20026	12.7
277.21622	31.4
285.10074	4.0
293.20969	1.4
295.22638	20.8
301.81592	1.6
326.16998	1.5
348.18475	9.7
348.22101	2.5
349.15506	2.2
349.16739	1.5
349.19742	36.5
349.23743	18.2
370.93207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.08
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.7
55.01826	2.2
55.05473	2.0
56.96560	66.3
57.03408	7.1
59.57173	2.1
60.04509	2.2
61.02886	7.6
65.36273	2.2
66.64581	2.3
69.03429	19.0
70.06546	2.5
70.13844	11.9
72.08127	2.0
73.02883	7.0
73.25736	1.9
74.97572	2.9
76.44983	2.0
76.63900	2.0
78.78014	2.3
79.67163	1.9
81.03376	8.3
81.07027	4.5
82.06538	2.2
83.12339	2.1
84.04478	3.2
84.08108	3.1
84.96003	8.1
85.02902	42.3
85.06523	3.2
85.43450	2.0
87.04439	3.8
88.99077	2.2
91.03949	3.1
91.05444	6.9
95.04931	2.5
96.37486	2.3
97.02893	19.7
98.97573	59.4
99.04415	3.2
101.00824	2.8
101.07099	8.2
102.37804	2.2
102.97028	2.7
107.04877	2.9
109.02808	3.9
110.97549	10.8
116.98611	62.4
119.01899	19.6
119.04952	10.6
121.01588	3.5
122.05978	4.8
123.04382	5.5
123.06452	2.7
127.03860	11.2
128.98589	27.5
131.00114	6.6
131.01834	5.0
131.74535	2.2
133.01663	6.5
134.99648	41.2
135.04356	8.6
136.06134	5.7
137.02888	4.1
137.05824	14.9
139.03911	5.2
140.00130	4.4
143.00084	5.6
143.01840	7.9
144.97975	3.7
145.01680	10.8
145.03473	4.0
145.04903	4.0
146.99628	29.6
147.03302	4.5
147.04359	24.6
149.01147	5.9
149.02896	2.7
150.05423	6.3
151.02708	2.6
151.03871	3.0
151.05812	4.8
152.98523	2.2
153.00656	5.2
153.05399	2.8
157.07437	2.4
158.01239	4.0
158.99648	15.0
159.03215	19.8
159.04980	5.0
161.01210	16.8
161.02875	19.7
161.04604	7.0
162.03081	2.3
162.99066	9.0
163.00475	2.5
163.02669	14.9
163.03688	11.7
165.00659	12.4
168.06508	6.6
169.03387	7.4
169.06833	8.3
170.05162	12.6
170.99622	8.4
173.01224	3.2
173.02933	6.9
174.99136	11.7
175.02699	5.7
175.04240	2.1
177.00708	33.9
177.04311	27.2
179.02205	5.7
179.07036	3.7
181.00102	3.0
181.55904	3.1
185.02927	3.0
185.06592	5.3
185.13071	2.6
187.02774	5.8
187.04483	56.3
187.07899	5.8
187.10706	5.2
189.00667	13.9
190.95227	4.1
190.98550	6.8
191.02237	3.7
193.00137	23.6
195.01704	4.0
195.05310	7.5
197.01154	3.0
197.03011	3.1
200.02277	2.9
201.00644	9.7
201.04353	10.1
201.05931	2.6
203.02220	3.9
203.04001	3.4
204.99994	4.8
205.03860	13.9
208.96359	2.9
210.06073	4.6
215.05916	2.8
217.05463	4.5
217.97462	2.3
219.01726	40.4
219.05066	10.7
221.05025	6.5
223.01192	3.2
223.04660	3.9
229.03645	6.4
229.05502	16.1
237.02780	100.0
242.03267	4.5
242.07138	6.3
243.05257	3.1
245.05013	3.7
247.04707	6.5
248.95854	2.8
248.99057	3.8
249.02872	2.4
251.04015	2.8
255.03780	9.2
257.04819	2.4
259.08539	15.6
259.58362	2.4
260.04230	4.3
261.02704	3.7
263.06067	4.3
279.03857	2.6
289.07718	4.0
303.07480	73.6
306.96436	3.7
307.06888	8.6
307.11777	2.8
307.13794	2.2
321.04861	4.9
321.08536	90.0
322.08908	3.2
325.13156	2.5
331.13593	2.8
339.09384	5.0
340.10950	20.2
340.60724	2.7
344.10016	4.7
349.00577	4.6
349.07901	74.6
349.14743	14.2
367.09146	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
55.37303	0.4
56.96562	0.4
57.82412	0.4
69.03424	1.0
69.27634	4.8
70.06573	1.1
70.75320	0.4
72.08164	0.4
74.06046	0.4
77.00896	0.5
79.05460	0.6
79.63911	0.4
81.07045	2.0
83.04973	1.0
84.04485	1.2
85.02877	1.4
86.09700	0.7
91.05455	0.5
93.07053	0.6
95.01326	0.5
95.01965	0.6
95.04921	0.5
99.08064	1.3
101.07121	0.8
103.92353	0.4
109.10094	0.4
109.52534	0.4
115.91239	0.4
119.01902	0.6
119.04922	0.9
121.10095	0.5
123.00018	0.4
123.00750	2.3
123.04394	0.7
131.01900	0.8
131.04941	1.1
134.65654	0.4
139.03894	1.5
141.01782	1.1
146.59647	0.4
147.04373	3.9
151.11137	0.6
153.12741	1.0
161.06047	0.5
163.03906	0.6
167.07033	0.6
169.01297	2.6
169.12242	0.8
171.04379	0.7
171.13806	0.8
173.02960	0.8
174.05629	0.4
181.04858	0.6
185.04175	1.5
187.03589	1.9
189.05484	1.5
202.08939	1.0
205.07506	0.5
223.04558	0.7
247.04433	3.0
259.04520	0.8
265.05478	3.8
277.05554	0.7
283.06723	1.2
289.05511	0.8
303.04935	0.4
307.06601	2.1
325.07584	0.7
331.12866	0.8
349.08896	100.0
350.09326	1.7
367.08676	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	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.5
56.96565	0.7
57.03429	0.3
58.27460	0.4
60.31609	0.3
67.05492	0.3
69.03430	0.4
69.07047	0.5
70.06570	1.1
71.62623	0.3
71.63073	0.3
72.08145	0.4
73.47070	0.3
77.00903	0.6
77.66730	0.3
79.05496	0.5
81.03384	0.3
81.07051	1.6
83.04966	0.8
84.04485	0.8
85.02893	1.0
85.62044	0.3
86.09673	0.6
86.99062	0.3
87.02672	0.3
91.05460	0.7
93.07046	0.3
95.01926	0.8
97.02863	0.6
97.06509	0.3
98.97543	0.3
99.08074	0.8
101.07129	0.3
105.06960	0.3
107.04958	0.5
109.02821	0.4
116.98644	0.5
119.01858	0.7
119.04942	1.1
121.00750	0.3
122.02712	0.7
123.00779	1.7
123.04404	1.8
123.11657	0.3
124.04764	0.5
127.03892	0.7
131.01860	1.0
131.04956	0.6
139.03891	2.0
140.04250	0.5
141.01802	0.6
147.03349	0.4
147.04399	4.3
151.03845	0.4
153.12724	0.6
155.03339	0.6
159.04573	0.3
163.03911	1.0
167.05333	0.3
167.07022	0.3
169.01321	2.7
169.12169	0.6
171.04443	0.5
171.13751	0.6
173.02957	0.6
177.05527	0.6
185.04198	1.3
187.03612	1.7
189.05412	1.5
197.06540	0.4
202.08931	0.8
203.07375	0.3
205.03410	0.5
208.32782	0.3
209.06235	0.3
223.04440	0.9
229.03430	0.4
237.06165	0.3
241.05554	0.4
247.04478	2.9
251.03865	0.4
259.04538	0.7
261.05994	0.3
265.05524	3.2
277.05463	0.7
283.06689	0.9
285.03909	0.7
286.06271	0.8
289.05450	0.7
301.05603	0.6
303.04874	0.4
307.06598	2.3
319.06430	0.3
325.07651	1.0
325.72321	0.3
330.08105	0.4
331.12888	0.8
349.08893	100.0
350.09259	2.3
367.08777	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	349.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46538	1.1
55.27066	1.3
56.96558	41.7
67.49323	1.3
71.62820	2.0
71.95261	3.5
73.02885	1.4
77.00901	11.7
80.29813	1.3
81.07051	10.7
93.07024	1.8
95.01934	11.5
97.02882	7.1
97.06596	1.2
98.97569	40.6
101.07132	3.1
105.07003	6.2
113.03491	6.3
116.98608	62.7
117.03997	10.8
117.07028	2.6
117.98935	2.1
119.01905	16.5
119.08582	5.0
121.01791	1.5
128.06300	1.2
128.81427	1.3
129.03976	3.0
129.06990	2.4
130.07748	1.5
131.05550	2.2
131.08588	5.2
131.44162	1.2
133.01649	1.6
133.06451	1.5
133.10147	4.6
134.99648	100.0
135.05008	18.4
135.99966	1.7
137.02928	8.3
140.00175	2.1
142.03546	1.5
143.08553	7.7
144.98257	1.4
145.10107	14.8
147.05051	5.2
149.01236	1.4
149.06641	2.2
153.00700	25.2
157.10156	3.7
158.01244	7.9
159.11676	2.9
160.04642	1.2
161.09752	1.2
173.09650	1.5
176.02312	1.8
177.00972	5.6
177.07288	1.2
179.00713	2.1
180.00816	1.7
181.00517	1.4
181.10167	1.7
185.13214	9.9
187.14816	1.3
190.95320	2.6
205.10739	2.9
208.96457	1.5
213.12820	5.1
219.02049	7.8
219.12378	2.0
220.02129	3.2
221.01755	19.7
222.01985	4.0
223.01489	25.3
228.90160	1.5
230.93338	1.7
232.96579	1.7
233.10408	2.0
234.99831	3.0
240.98814	1.6
243.12399	4.2
244.03191	1.6
245.13861	26.5
246.03165	2.4
248.94440	2.3
249.09793	1.8
256.96689	4.9
258.01208	1.4
258.99817	7.2
259.12003	2.8
260.96219	2.6
261.03049	11.0
261.13489	4.2
262.03168	2.7
263.03030	4.8
263.14902	21.7
269.13855	1.4
270.91144	1.6
271.11969	2.0
272.94568	5.1
274.97473	17.4
277.00778	18.0
279.00793	2.5
281.16055	2.1
287.15057	5.5
288.92062	8.1
288.99426	1.4
289.12946	20.0
290.95554	3.1
292.98499	10.7
298.97940	1.6
301.01175	1.7
301.98163	2.2
302.97211	18.7
305.00818	2.1
306.93365	4.8
307.14090	41.2
308.96170	1.5
312.14612	2.6
313.12955	4.3
316.00296	1.5
316.98788	3.3
323.90970	2.9
325.13174	6.4
325.94528	1.5
325.98874	5.9
328.44098	1.8
331.13919	37.1
331.93729	1.9
332.91245	9.0
333.41330	3.8
341.91840	8.5
342.42001	3.0
343.93497	2.1
344.41974	4.2
344.92029	2.2
349.15012	54.8
350.15115	3.2
353.42780	2.5
353.92896	1.6
355.92941	2.6
367.14206	2.8
372.16711	4.0
372.94376	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	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.7
55.05495	17.1
56.96564	33.7
57.03437	18.9
57.03661	3.4
59.49632	3.8
59.98420	3.3
67.05501	32.4
69.07061	29.8
70.30953	10.5
70.31352	9.1
78.41186	3.5
79.05490	35.8
81.03393	4.0
81.07047	60.3
83.04962	14.4
83.08603	7.3
86.36501	4.7
87.82272	4.0
90.18011	3.7
90.25130	3.4
91.05464	36.0
93.07032	39.2
95.04962	10.1
95.08585	30.8
97.06519	6.7
98.20831	5.5
105.07022	33.5
107.04926	11.3
107.08585	24.8
109.06501	15.0
109.10133	11.4
117.07002	11.0
119.08543	19.9
121.06487	14.2
121.10115	14.7
123.08090	19.4
131.08572	24.1
133.06422	4.9
133.10095	20.2
135.08040	4.8
135.11658	10.6
145.10094	23.0
147.11670	9.4
149.09593	12.5
149.13266	7.1
151.11183	6.1
155.08578	3.9
159.11650	11.6
161.13176	5.3
163.11166	10.1
171.03365	5.2
171.11719	4.6
173.13264	9.0
179.14255	15.3
183.11769	4.8
185.04919	6.2
199.06425	5.8
203.05830	6.9
213.07771	3.8
217.07442	10.4
219.13792	5.0
225.08054	4.9
231.09038	5.7
255.09004	10.9
257.18887	18.8
267.08939	14.8
269.10574	20.9
273.10110	12.6
275.20035	100.0
276.20352	4.8
285.10095	31.0
287.11475	6.5
289.22824	4.1
293.20923	10.0
308.11658	6.2
331.15759	11.7
349.17087	50.4
349.23685	63.6
349.27448	15.8
367.17957	25.1
372.18115	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.198
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.05518	0.4
56.44990	0.3
58.06586	0.9
67.05476	1.1
68.05015	0.5
69.07062	0.7
70.90012	1.0
71.04951	0.4
72.00893	0.3
75.53638	0.3
79.05470	0.9
81.07024	1.1
82.06564	0.6
84.08128	0.9
86.09687	0.7
91.05453	0.7
93.07019	0.9
95.04971	0.6
95.08585	0.4
96.08118	6.8
100.07599	0.3
105.07029	0.7
107.05002	0.5
107.08562	0.6
112.07581	1.3
119.08571	0.9
121.10145	0.7
133.10123	0.5
137.05692	1.7
138.09132	2.4
159.11627	0.6
168.19807	0.3
201.09698	0.5
221.11455	0.7
253.12750	1.7
257.12384	0.5
271.13910	0.9
273.18466	0.7
275.19922	0.7
290.21158	0.6
291.19577	1.1
308.22076	0.5
349.19818	100.0
350.19513	4.3
350.23911	3.9
361.27417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38677	0.4
53.03900	0.5
55.05487	1.8
56.96545	0.6
57.03410	1.4
57.22869	0.4
67.05499	3.5
69.07066	2.3
69.59854	3.7
77.72303	0.4
79.05479	3.3
81.03387	0.9
81.07047	5.4
83.04961	1.2
83.08598	0.7
91.05470	3.3
93.07027	4.2
95.04958	1.8
95.08604	2.5
96.08092	0.6
96.29461	0.5
97.06497	1.2
97.10143	0.5
98.21518	0.8
98.98434	0.6
104.08084	0.5
105.06999	3.2
107.04922	1.4
107.08572	3.1
109.06509	1.4
109.10148	0.5
117.07021	1.4
119.08568	2.3
121.06471	0.5
121.10108	2.1
123.08035	0.5
131.08559	1.9
133.10124	2.6
135.08075	0.7
135.11664	1.6
137.05702	2.2
138.92955	0.5
145.10088	1.9
147.11690	1.3
147.19260	0.5
149.09587	0.9
149.13231	0.7
157.10068	0.5
159.11681	1.9
161.02969	0.6
163.11172	1.1
169.10046	0.8
171.11696	0.6
173.13239	0.8
176.62733	0.4
221.11423	3.1
224.26180	0.5
235.13084	1.1
239.17752	0.7
257.18906	1.3
271.13693	0.7
275.20041	6.7
277.21616	0.7
298.60077	0.5
349.19809	100.0
349.23520	6.1
350.19821	3.7
350.23706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.5
55.01864	4.6
55.05505	11.7
57.03433	14.3
57.07099	2.1
58.72276	0.5
58.85115	0.6
59.05022	0.5
65.03965	1.2
67.05499	29.4
68.64117	0.5
69.03455	2.0
69.06702	0.4
69.07059	18.6
69.32441	5.9
71.04993	2.3
79.05483	24.8
80.55421	0.5
81.03440	1.4
81.07047	35.9
82.07410	0.7
83.04974	8.2
83.08617	5.0
85.06575	1.8
91.05466	24.5
93.07034	28.8
95.04959	9.4
95.08598	18.7
96.42329	0.6
96.94377	0.5
97.06514	5.4
97.07848	0.5
97.10162	2.5
97.43227	0.5
99.08121	0.6
102.92191	0.5
105.04559	0.6
105.07017	27.0
107.04945	10.5
107.05589	0.7
107.08583	19.6
109.06504	12.9
109.07232	0.6
109.10149	7.4
109.10825	0.7
111.07456	0.5
111.08054	2.3
115.05480	0.6
116.12577	0.5
117.07010	9.3
119.08569	15.2
120.05334	0.5
120.09052	0.5
121.06493	12.1
121.07323	0.7
121.10136	11.6
121.11017	0.7
123.08052	5.4
123.08788	0.5
123.11732	1.9
125.09661	1.6
128.06241	0.9
129.07007	2.5
130.07823	0.8
131.08557	17.7
133.06500	3.2
133.10114	17.0
133.11046	0.9
135.08025	4.9
135.11690	5.9
137.06042	0.5
137.09659	2.2
139.11148	0.8
141.07027	1.8
143.08528	3.5
145.06483	1.1
145.10101	16.6
147.08057	4.1
147.11664	12.0
149.09612	7.0
149.13248	3.5
151.11165	6.1
153.09178	0.7
155.08572	2.0
157.10143	3.0
159.08083	2.4
159.11681	9.8
161.09616	3.4
161.13258	3.2
163.11148	7.3
163.14841	1.2
165.12755	1.4
169.10150	2.2
171.11687	3.5
173.09622	2.8
173.13206	5.7
175.11180	2.9
175.14874	0.8
177.12691	2.8
179.10696	0.6
179.14328	1.4
183.11714	2.2
185.13287	1.0
187.11218	1.9
187.14822	1.7
189.12793	1.7
191.14365	2.3
197.13326	1.8
199.14850	0.9
201.12709	3.6
201.16246	0.7
203.14359	0.9
205.19597	0.9
207.13741	3.1
211.14923	0.8
213.16470	1.0
213.66553	0.5
215.14334	1.3
215.17958	1.6
217.15823	0.8
219.13734	3.6
229.19559	3.4
231.17415	1.2
233.15375	0.7
233.18906	1.1
236.26440	0.5
237.14833	0.6
239.17935	4.8
247.20490	3.8
257.18976	16.6
269.12286	1.9
275.20029	100.0
276.20352	4.4
293.21057	9.0
331.22473	0.7
349.19730	7.4
349.23654	57.3
350.20184	0.5
350.24094	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01859	4.0
55.05503	13.1
56.96556	2.1
57.03429	14.7
57.07056	2.4
61.35312	0.6
63.57210	0.6
65.03922	0.8
67.05495	27.9
69.03408	2.1
69.07059	19.5
71.04980	2.1
73.06545	0.7
79.05481	23.7
79.05952	1.2
81.03376	1.4
81.07046	32.7
83.04958	7.3
83.08607	6.0
85.06536	1.2
91.05465	21.4
92.39964	0.7
93.07030	33.0
95.04948	9.4
95.08595	20.3
97.06512	3.1
97.10162	2.4
99.67619	0.7
105.07017	25.5
107.04937	9.4
107.07864	1.0
107.08579	18.5
109.06507	12.0
109.10139	8.7
111.08061	2.0
117.07005	8.4
119.08559	13.9
121.06497	13.0
121.10133	12.2
123.08048	6.5
123.11667	2.8
125.09606	1.2
125.98127	0.8
129.06981	2.7
130.07762	1.1
131.08551	16.9
132.08957	1.0
133.06461	4.1
133.10106	17.9
135.08022	7.0
135.11655	4.1
137.09621	2.3
141.06963	1.1
143.08563	3.5
145.06464	2.4
145.10103	15.3
147.08052	3.8
147.11662	11.9
149.09598	7.5
149.13237	3.0
151.11128	5.7
155.08498	2.1
157.10107	3.7
159.08060	2.4
159.11668	8.3
161.09550	3.6
161.13225	3.3
163.11130	5.6
163.14803	1.1
165.09119	0.9
165.12805	1.1
169.10146	1.7
171.11676	2.5
173.09613	2.9
173.13268	5.8
175.11183	2.0
175.14836	0.9
177.12723	2.8
183.11638	2.2
185.13184	1.1
187.11185	2.6
187.14748	1.8
191.14284	3.7
197.13202	1.6
201.12666	4.2
205.15915	0.9
205.19635	1.3
205.96394	0.7
207.13771	2.8
211.14789	0.9
215.14268	1.1
215.17915	1.9
219.13812	4.3
219.17567	0.7
229.19569	2.5
229.23459	0.7
231.17329	0.9
233.19101	1.2
239.17838	3.9
246.40529	0.7
247.20502	5.4
247.90132	0.8
257.18979	15.3
258.19342	0.9
269.10556	1.1
275.20026	100.0
276.20331	6.5
285.09982	1.1
293.21103	8.7
320.66791	0.8
325.67722	1.5
349.16858	2.3
349.23672	50.9
350.23917	3.5
354.11285	0.8
367.17892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70413	0.7
53.03937	1.4
55.01875	3.7
55.05507	9.7
57.03429	6.1
62.61236	0.7
65.03939	1.1
67.05500	20.3
69.03423	1.4
69.07056	12.5
69.40906	5.5
71.04978	1.5
79.05485	17.3
81.03407	1.5
81.07050	31.7
83.04964	2.8
83.08611	3.6
85.06499	0.9
91.05472	20.3
93.07043	15.4
95.04958	3.3
95.08601	15.6
96.08147	1.6
97.06525	5.4
97.10172	1.7
98.21038	3.2
99.08089	0.7
103.05514	0.7
105.07018	23.0
106.07346	0.7
107.04946	4.0
107.08586	11.5
109.06474	5.8
109.10121	6.1
111.08078	1.3
112.07584	0.9
115.05486	1.0
117.06998	8.7
119.08569	19.0
121.06492	2.0
121.10149	7.9
123.08035	2.1
123.11674	2.3
125.09615	1.0
129.06989	2.6
131.08545	10.5
133.06546	0.9
133.10110	15.7
135.08063	2.0
135.11688	5.2
137.09592	2.5
137.99300	0.7
143.08514	1.7
145.10117	14.6
147.11658	9.5
149.09592	4.6
149.13225	2.7
151.11160	1.2
155.08583	1.7
157.10129	3.7
159.11673	10.9
161.09619	1.2
161.13219	2.6
163.11180	4.3
165.12810	0.9
169.10104	2.4
171.11679	2.5
173.13223	6.5
175.11194	1.6
177.12732	1.8
179.14297	1.9
183.11679	2.4
185.13240	1.1
187.14871	1.3
188.82938	0.8
191.14366	0.9
197.13182	2.2
201.12637	1.2
213.16396	0.8
215.17915	0.9
229.19522	2.4
239.17952	4.0
247.20644	2.0
257.19043	10.9
271.14069	0.8
275.20026	21.8
276.20435	2.0
279.11743	0.8
293.21014	1.3
331.18262	0.8
331.22601	1.2
349.19772	100.0
349.23752	42.6
350.20062	9.6
350.23831	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.4
52.92242	2.5
53.03942	15.8
55.01870	18.1
55.05505	28.7
56.96567	4.1
57.03425	18.3
62.46423	2.7
65.03940	4.3
67.05501	71.8
69.03416	3.4
69.07058	74.4
69.49018	24.8
78.46041	2.4
79.05479	58.4
81.03407	33.5
81.07044	100.0
81.21256	2.3
83.04971	15.6
83.08601	18.5
85.06544	4.4
91.05469	77.5
93.07031	62.5
95.01333	25.8
95.04951	26.8
95.08592	65.6
97.06516	33.2
97.10149	6.5
100.74284	2.6
105.07018	98.4
107.04935	42.9
107.08585	28.1
109.06512	8.8
109.10157	10.8
111.08060	6.9
117.07014	25.3
119.08566	45.3
121.06502	7.3
121.10184	12.9
123.04385	3.6
123.08081	9.3
123.11740	5.2
129.06970	5.5
131.08527	40.4
133.06522	3.8
133.10120	68.5
134.10364	3.0
135.07994	6.3
135.11679	17.9
141.06944	3.2
143.08595	4.1
145.06494	8.9
145.10091	27.7
147.11674	31.1
149.09607	12.1
149.13277	11.0
151.11075	4.0
155.08554	3.7
157.10107	7.0
159.11681	31.2
161.13242	10.8
163.11203	6.5
165.09091	3.9
169.10152	4.4
171.11646	4.5
173.13266	5.7
177.12730	11.5
179.14281	32.9
183.11775	3.9
187.11169	11.5
201.12732	3.5
205.12106	3.3
219.13892	3.0
239.17957	4.7
241.14337	6.0
243.08955	2.6
247.20546	4.1
257.18958	7.8
275.20038	91.4
276.20419	4.3
331.15793	6.3
349.16742	8.1
349.19937	6.2
349.23627	74.7
349.27368	4.1
350.23972	4.9
367.18060	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.4
55.01860	15.1
55.05510	25.1
56.76630	1.7
57.03429	20.5
57.07066	2.0
61.02892	2.7
63.09414	1.7
65.03928	3.2
67.05496	73.3
68.84829	1.7
69.07059	71.3
69.46734	4.0
69.47159	12.4
71.04978	4.3
73.02895	2.4
79.05483	56.2
79.05949	2.9
81.03404	38.0
81.07047	83.6
83.04979	14.6
83.08608	14.7
85.02860	1.8
85.06519	3.5
86.29155	1.6
91.05467	72.8
93.06464	3.9
93.07030	60.2
95.01311	24.4
95.04951	24.8
95.08592	64.4
97.02871	3.5
97.06516	24.6
97.10159	5.0
98.20933	6.2
103.05463	2.3
105.07016	100.0
106.07329	2.9
107.04277	3.3
107.04942	47.9
107.08569	25.9
109.06501	8.8
109.10153	13.4
111.04410	2.8
111.08057	4.9
115.05443	3.0
117.06989	23.4
119.08556	46.7
120.08958	2.3
121.06483	7.4
121.10123	14.0
123.04402	4.1
123.08037	9.3
123.11678	2.8
125.09615	3.9
128.85129	1.8
129.06989	4.3
130.07755	2.1
131.08551	39.1
133.06496	3.6
133.10114	55.6
135.08018	3.6
135.11665	15.2
137.09630	3.2
139.07568	1.9
141.06979	2.9
143.08522	6.1
145.06477	10.4
145.10109	30.3
147.11658	27.1
149.09595	11.9
149.13257	10.2
155.08565	3.0
157.10097	6.1
159.11673	26.2
161.13232	9.0
163.11172	7.5
165.09074	2.6
169.10118	6.1
171.11713	4.1
173.13231	4.9
177.12759	11.1
179.14270	32.9
183.11671	3.2
187.11171	11.1
188.97633	1.9
195.13802	2.9
197.13257	4.2
207.13754	2.2
219.26707	1.8
229.19489	4.0
239.17949	2.4
241.14240	3.9
243.46405	2.0
257.19009	12.1
275.20035	83.3
276.20364	2.6
301.19986	4.4
338.66135	1.8
339.78107	1.8
349.23672	76.3
349.26843	3.1
350.24060	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.5
51.75238	1.8
53.03929	8.9
55.01875	14.8
55.05504	51.9
57.03432	17.8
57.07058	2.0
65.03931	4.1
67.05499	73.2
69.03409	5.9
69.07059	39.6
71.04977	6.9
72.08154	3.3
78.07240	1.9
79.05486	100.0
79.05949	5.0
81.03420	12.5
81.07049	80.5
81.71378	1.9
83.04968	26.5
83.08617	17.7
83.73850	1.8
85.06527	2.4
89.87453	1.9
91.05471	55.4
93.07036	74.2
95.01308	6.6
95.04947	18.6
95.08034	3.4
95.08599	42.5
97.06527	18.2
97.10159	17.5
98.21500	4.2
103.05442	3.0
105.07018	61.5
107.04948	32.0
107.08585	63.8
108.05330	2.3
109.06499	15.0
109.10152	19.4
111.08050	7.6
115.05524	2.2
117.06982	18.4
119.08561	40.0
120.08886	2.1
121.06490	7.3
121.10127	25.7
122.09605	2.1
123.04430	2.4
123.08026	7.8
123.11673	6.9
125.09621	15.9
128.06252	2.6
129.06949	4.3
131.08548	24.9
133.10126	43.3
135.08023	9.2
135.11670	11.3
137.09566	4.9
138.12764	3.0
141.06981	2.3
143.08524	5.6
145.10109	27.4
147.08031	3.6
147.11676	24.9
149.09612	47.9
149.13199	4.3
151.11153	2.2
152.10648	3.1
153.09048	3.4
157.10118	4.9
159.11639	20.5
161.09654	3.6
161.13208	10.1
163.11154	8.0
163.14748	6.3
167.10704	1.9
169.10078	4.9
169.12268	3.8
171.11745	5.0
173.11761	3.9
173.13228	7.7
177.12683	6.6
179.14302	17.9
179.56329	2.3
180.13834	2.3
183.11571	3.9
187.11220	3.8
189.11157	11.1
191.14299	4.5
197.13158	2.2
205.12224	5.0
208.13351	3.4
209.15303	5.5
223.13319	5.6
226.14313	3.4
229.19470	5.0
239.17915	4.9
247.20525	5.0
257.19028	11.3
273.18536	4.3
275.20032	84.0
276.20367	4.6
280.11893	2.1
290.21048	6.5
291.19598	16.3
293.21228	2.6
308.13504	2.0
308.22104	6.4
332.22324	3.7
342.55264	2.3
349.13214	13.4
349.16678	7.0
349.23642	92.3
349.27368	11.6
350.23270	41.3
372.18301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03931	5.2
55.01867	12.5
55.05256	2.0
55.05502	32.6
56.96553	4.8
57.03430	25.5
57.07066	2.4
59.05003	1.5
61.02900	1.3
62.20873	1.1
65.03922	2.8
67.05496	50.0
69.03416	4.5
69.07061	32.4
69.98483	3.4
69.98886	3.8
70.07397	1.1
71.04981	3.9
72.00928	1.1
72.08142	1.8
79.05481	86.2
80.36360	1.2
81.03410	6.0
81.07043	53.4
83.04978	8.8
83.08603	14.3
85.02895	1.8
85.06523	4.1
91.05468	61.9
92.05792	1.6
93.07032	46.1
95.01305	2.1
95.04955	15.1
95.08590	29.4
95.09154	2.5
97.02853	1.8
97.06509	13.7
97.10150	14.0
98.20813	2.2
99.08085	2.0
103.05437	2.1
105.04532	1.6
105.07015	65.9
106.07321	1.7
107.04946	20.0
107.08579	78.9
108.08881	1.8
109.06498	13.0
109.10137	15.8
111.08063	5.6
115.05518	1.4
116.06281	1.5
117.07010	20.7
119.06049	1.1
119.08560	40.4
121.06523	3.3
121.10130	19.7
123.04433	1.5
123.08041	3.9
123.11703	3.5
125.09612	14.5
128.06186	1.5
129.06956	6.5
130.07802	2.0
131.08557	30.9
133.06461	1.3
133.10110	37.3
134.10400	1.8
135.08044	4.4
135.11655	10.1
137.09584	3.3
141.06964	2.5
143.08548	11.7
145.06519	2.2
145.10095	70.4
146.10434	2.0
147.08018	1.6
147.11670	29.9
149.02266	1.9
149.09592	20.1
149.13217	5.1
151.11182	1.7
153.09108	1.8
155.08556	4.9
157.10115	9.7
159.11670	27.8
160.12068	1.7
161.09596	3.0
161.13245	9.8
163.11197	7.4
169.10103	6.1
170.10860	1.2
171.10251	2.4
171.11636	14.6
173.09671	1.7
173.11755	3.1
173.13261	7.3
175.11169	3.8
175.14839	3.3
177.12759	3.4
179.14308	3.8
181.12279	1.7
183.11687	7.5
185.13194	8.5
187.11177	3.2
187.14828	2.4
189.11168	12.2
189.12677	1.9
193.12267	2.1
195.11758	2.5
195.13734	1.6
197.13297	8.0
203.14371	3.2
205.15611	1.1
215.17871	1.9
219.17445	5.5
229.16042	1.5
229.19502	4.7
233.15350	1.4
238.80066	1.4
239.17902	17.5
247.20409	2.3
257.18976	48.6
258.19342	2.9
267.09045	2.1
269.12485	2.6
275.20026	68.5
276.20526	2.7
277.18161	1.3
285.10138	5.4
286.10223	1.9
293.21133	1.9
331.22653	8.5
349.20337	4.9
349.23737	100.0
350.24023	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	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03939	0.3
55.01860	0.7
55.05501	3.5
57.07062	0.9
59.05000	0.4
59.12776	0.2
67.05499	3.2
69.07062	8.5
70.41943	0.6
70.42342	0.6
71.04979	1.0
73.06519	0.3
79.05492	2.7
81.07051	6.3
83.04977	0.7
83.08614	3.2
85.06525	0.7
91.05492	1.6
93.07034	3.9
95.04962	0.5
95.08601	6.0
97.06508	1.4
97.10133	0.8
99.08064	0.4
105.07020	1.8
107.08582	4.1
109.06510	7.7
109.10142	2.0
111.08078	2.0
117.06992	0.3
119.08562	2.7
121.06477	0.3
121.10136	2.5
122.07270	0.5
123.08053	51.3
123.11619	1.3
124.08372	0.9
125.09639	0.5
131.08531	0.7
133.10129	1.8
135.08040	3.4
135.11674	1.8
137.09610	3.5
137.13222	0.6
145.10097	0.9
147.11670	1.7
149.09607	1.1
149.13239	1.3
151.11108	0.5
159.11678	1.2
160.46927	0.3
161.13258	1.0
163.11176	0.7
165.12767	0.8
167.14354	0.5
173.13239	0.7
175.18893	0.3
177.12743	0.3
179.14310	4.2
187.14874	0.5
217.80154	0.3
233.19038	0.5
263.20132	0.3
275.20020	1.8
289.25259	0.6
293.21060	14.7
294.21490	0.8
307.22598	0.8
331.26270	2.3
349.27332	100.0
350.27634	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01866	0.4
55.05249	0.3
55.05496	2.4
57.07066	4.2
60.82337	0.3
67.05495	3.3
68.61646	0.2
69.07055	2.7
69.84019	1.7
70.52287	0.3
71.04964	0.5
71.08633	2.5
79.05479	3.0
81.07045	5.0
83.04958	0.6
83.08589	0.8
85.06532	2.2
90.81689	0.3
91.05474	2.0
93.07027	3.3
95.04929	0.7
95.08593	5.1
97.06493	0.7
97.10136	0.3
98.21378	0.6
99.08067	1.3
105.01241	0.3
105.06984	2.4
107.04974	0.3
107.08567	1.7
109.06500	15.7
109.10162	2.0
111.08082	0.4
117.06994	0.3
119.08576	2.5
121.10128	2.0
122.07260	1.8
123.08047	23.4
123.11650	0.5
131.08524	1.2
133.10107	1.4
135.08018	3.0
135.11671	0.8
137.09564	0.8
137.13214	0.5
141.34721	0.3
142.07707	0.4
145.10121	1.3
147.11661	1.2
149.09583	0.9
149.13269	0.6
151.11079	0.4
157.10091	0.5
159.11668	0.9
161.13185	0.7
165.12749	0.8
167.14265	0.7
169.10150	0.3
173.13220	0.4
175.14795	0.4
177.12756	0.4
177.16296	0.6
179.14282	100.0
180.14662	2.2
185.13274	0.4
187.14859	0.5
191.14265	0.4
193.15855	2.2
201.16331	0.4
225.04747	0.3
275.20129	0.6
289.25226	0.6
293.21124	0.7
331.26346	2.3
344.15137	0.3
349.27338	90.4
350.27631	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03948	0.3
55.01852	0.9
55.05506	4.7
57.07055	0.9
61.00460	0.3
64.39309	0.3
66.45049	0.3
67.05494	4.2
69.07059	8.6
70.23322	1.2
71.04977	1.4
71.08633	0.5
73.06541	0.6
79.05479	3.3
81.07043	7.9
81.74986	0.3
83.04968	0.6
83.08603	3.3
85.06556	0.7
91.05471	2.1
93.07025	4.1
95.04953	0.6
95.08592	6.7
97.06516	1.7
97.10149	1.1
98.20691	0.3
98.21223	0.5
99.08090	0.4
105.07029	2.4
107.04930	0.4
107.08585	4.7
109.05770	0.6
109.06503	10.2
109.10131	3.0
111.08072	1.6
111.11695	0.4
117.07012	0.6
119.08564	3.3
121.06452	0.4
121.10124	3.4
122.07267	1.0
123.08049	56.3
123.11679	1.2
124.08393	0.6
131.08577	0.7
133.10117	2.5
135.08032	4.1
135.11667	1.6
137.09607	2.7
137.13216	0.5
145.10138	1.2
147.11667	1.5
149.09622	1.0
149.13205	1.7
151.11188	0.4
157.10094	0.4
159.11679	1.5
161.13257	1.0
163.11154	0.9
165.12796	0.8
167.14362	0.3
171.11636	0.3
173.13225	0.8
173.14618	0.4
175.14818	0.5
177.12654	0.8
179.14282	11.1
180.14571	0.4
215.17737	0.4
233.19031	0.8
261.22177	0.3
263.20172	0.4
275.19876	1.9
281.21060	0.5
289.21887	0.3
289.25058	0.7
293.21069	17.0
294.21472	0.7
303.26755	0.8
307.22662	0.8
331.26157	2.7
349.27325	100.0
350.27686	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	350.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
51.85286	0.4
51.94150	0.4
61.80009	0.5
65.03915	0.7
67.05489	0.5
68.99787	0.9
69.03409	0.9
69.91675	2.3
70.06583	0.5
71.04971	0.9
73.50452	0.5
79.01831	1.1
79.05460	0.7
81.07032	1.9
85.02888	1.1
91.05494	2.9
93.07040	3.3
95.01306	5.0
95.08584	1.2
97.02891	1.1
97.06522	0.6
105.06965	0.5
107.08569	2.8
109.10138	0.9
117.67290	0.4
119.04935	6.9
123.00784	54.3
123.04407	0.7
124.01057	0.7
125.02409	0.6
131.04897	0.5
135.11710	3.0
137.13255	0.6
141.01814	22.0
141.06970	1.1
147.04401	32.8
148.04698	0.7
149.05942	0.5
151.03809	0.6
153.01755	1.2
153.06960	0.6
153.09091	0.6
153.12735	1.0
157.06480	0.6
164.07152	0.6
165.05492	0.7
169.01311	100.0
169.06516	1.5
170.01637	1.5
177.05360	2.4
195.02849	0.9
195.04434	1.2
197.06030	2.3
213.05449	1.5
221.00740	0.9
223.03879	2.5
225.05444	0.8
227.07039	1.4
241.04933	1.6
243.06503	1.9
256.43695	0.5
269.04431	17.3
271.06033	1.4
287.05466	5.6
289.07040	6.5
297.03894	2.1
307.08157	0.8
315.04965	4.9
333.06058	1.3
350.17612	0.9
351.03406	1.1
351.07108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
57.03427	1.0
61.02896	1.2
65.03923	4.7
68.99775	1.4
69.03416	3.4
71.07590	1.8
81.03410	1.5
83.04953	1.7
85.02890	14.0
87.67046	0.9
93.03380	1.7
97.02874	4.3
104.20722	0.7
109.02876	1.6
111.04427	26.4
121.02860	0.9
121.03944	2.0
127.03896	2.0
139.03885	66.8
145.04915	3.3
147.04378	1.2
153.06586	1.0
156.04126	2.3
163.03894	3.0
171.06502	100.0
172.06813	1.5
180.08575	1.5
204.08014	0.8
251.03889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.3
53.38290	1.3
53.43083	1.3
55.05501	8.1
56.31403	1.4
57.03409	1.5
58.06578	2.0
63.61061	1.6
67.05489	9.6
69.03407	4.2
69.07072	10.4
69.82612	2.9
69.83015	8.9
70.06588	3.3
71.04971	3.6
79.05484	17.0
81.03400	2.9
81.07050	10.1
83.04947	1.8
83.08591	2.7
84.05249	1.6
84.08980	1.5
84.35451	1.4
85.02893	15.4
86.09676	3.7
91.05459	16.2
91.58105	1.7
93.07030	91.3
95.04956	5.5
95.08591	22.3
97.02854	3.9
97.06518	89.5
98.21212	4.9
100.11234	10.5
101.11554	2.4
105.07005	6.7
107.08578	100.0
108.08897	1.9
109.02869	2.1
109.06488	2.8
109.10138	9.8
111.04460	1.8
115.34061	1.4
119.08544	3.0
120.08096	3.7
121.10173	1.9
123.00751	3.5
127.03902	3.5
133.10075	1.7
135.11671	73.8
137.13206	2.1
145.04941	3.0
147.04399	2.7
153.12701	19.3
163.06015	2.1
169.01291	4.5
171.13681	1.9
182.15405	3.2
183.15691	1.8
191.08278	1.6
192.08401	2.5
210.14871	3.6
210.16772	1.6
227.17566	2.7
227.67867	1.6
243.99461	1.5
277.22897	7.3
315.49658	1.5
350.13806	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05505	8.8
57.03426	2.4
58.57475	1.1
59.04992	2.9
61.02915	2.0
67.05495	8.0
68.20794	1.1
69.03416	5.0
69.07055	5.1
71.04984	9.1
71.06279	3.2
79.05486	5.3
79.81032	1.2
81.07047	23.7
83.05016	2.7
83.08624	11.8
85.02900	23.6
86.09737	1.4
91.05454	4.4
93.07027	42.6
95.01377	1.6
95.04951	2.0
95.08593	38.3
97.02896	4.0
97.06519	21.3
98.21291	1.6
99.04466	1.4
101.09660	2.5
105.07019	2.1
107.08584	59.1
109.02825	2.6
109.06500	1.3
109.10146	37.5
111.08011	1.9
113.09658	1.7
119.08588	2.3
120.08057	1.8
123.00780	9.9
123.11703	17.5
127.03903	4.4
127.11179	1.5
135.11674	100.0
136.12044	1.3
141.01811	3.7
141.12729	3.8
145.04964	4.6
147.04381	4.5
153.09113	1.7
153.12723	54.4
155.52632	1.2
163.24757	1.1
169.01308	14.9
171.13783	57.0
189.09229	1.2
197.06099	1.4
222.95639	1.3
269.04416	3.2
315.04965	1.3
364.20425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87208	0.8
55.01856	1.5
55.05504	5.9
56.05018	1.2
57.03414	0.9
58.06591	11.9
60.04509	4.7
65.03909	1.1
67.05497	9.4
68.05015	12.3
69.07053	8.7
71.04993	6.8
71.35626	1.7
72.08139	0.7
78.02352	0.8
79.05482	9.2
80.05037	1.0
81.03393	3.9
81.07044	11.0
82.06567	6.6
83.04960	2.5
83.08583	1.5
84.08135	8.9
86.09702	4.0
91.05458	5.8
93.07047	7.5
95.04951	3.9
95.08585	4.5
96.08120	100.0
96.70622	0.9
97.06506	3.6
97.08941	5.6
97.09459	1.3
97.10150	1.0
98.09657	2.4
100.07600	2.4
105.07016	5.4
106.06445	0.8
107.04931	2.5
107.08580	5.4
108.08099	1.7
108.28760	0.8
109.06502	3.6
109.10140	1.6
109.19904	0.8
110.06041	1.2
110.09682	1.2
112.07593	23.3
117.06994	3.0
119.08549	3.7
120.08090	1.5
121.06493	2.0
121.10091	2.7
123.08069	1.5
124.07587	6.4
126.09163	1.6
128.10696	7.3
129.06953	1.0
130.07779	0.8
131.08542	2.3
132.08031	0.9
133.06450	0.8
133.10124	2.6
134.09639	1.0
135.08069	3.9
135.11671	2.5
137.09578	0.9
138.08115	1.7
138.09122	24.6
139.09596	0.9
143.08559	1.2
145.10104	3.0
147.08026	1.8
147.11688	1.3
149.09566	1.2
154.08578	1.0
157.10124	1.7
159.11652	3.2
161.09552	1.1
163.11150	0.9
180.54846	0.8
187.11282	0.9
219.13780	1.1
245.19041	1.6
255.17532	1.5
263.04791	0.8
272.20169	1.2
273.18439	10.2
290.21115	8.5
291.19388	6.3
308.22107	6.0
332.22217	2.8
350.19995	35.7
350.23276	37.9
351.20078	1.6
351.23929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96508	13.2
56.96805	1.1
57.03370	0.9
67.05464	0.7
69.03389	1.0
70.08548	2.1
70.08958	1.3
81.03356	1.0
82.39105	0.6
84.95959	2.5
85.02900	3.6
85.07604	0.8
86.09621	0.8
91.05392	0.8
97.02866	1.5
98.97572	82.5
102.96946	0.9
109.02790	0.8
110.97552	4.1
112.99078	1.2
116.98608	60.2
118.98048	0.7
119.04831	0.8
125.02374	0.8
127.03857	1.4
128.98573	6.8
131.00102	1.3
134.99644	27.6
135.04361	0.7
139.03821	0.8
140.00134	2.0
140.98573	0.7
143.00075	2.3
144.98004	0.9
145.01636	2.0
145.04930	1.0
146.99637	6.9
147.03181	2.6
147.04390	2.1
149.01190	1.3
152.98599	1.2
153.00604	2.2
158.01202	1.4
158.99635	31.7
161.01109	2.9
161.02686	0.7
162.05466	0.9
162.99072	1.8
163.02715	2.2
165.00572	0.9
165.04364	3.3
168.05090	0.8
170.99689	3.9
171.03214	2.5
175.02774	1.3
177.00693	44.1
189.00778	3.6
189.02596	1.2
189.04323	11.7
190.04893	2.2
193.03709	1.8
195.01733	5.1
200.02231	2.5
201.00560	1.4
207.05423	5.7
219.01711	9.2
219.05232	1.2
227.18292	0.9
231.05351	2.6
234.99046	1.2
237.02811	22.4
249.06438	2.5
255.03848	3.2
260.04526	1.1
291.07443	23.7
294.10904	0.8
309.08527	100.0
310.09030	3.4
332.10129	6.3
351.09613	52.9
352.10046	2.1
364.29254	0.8
367.74826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01870	0.5
55.05493	0.7
56.96547	0.6
60.89803	0.4
61.56896	0.4
61.95216	0.5
67.05487	1.1
69.03392	0.5
69.07059	0.9
71.01331	0.9
71.01688	0.6
79.05473	1.2
81.03395	0.9
81.07023	2.4
85.02826	0.5
91.05448	0.9
93.07038	1.1
93.08633	0.4
95.04970	0.8
95.08601	0.8
99.04374	0.4
105.07008	3.3
107.08566	1.4
109.10106	0.5
112.57121	0.4
119.08576	1.1
121.10109	0.6
131.08571	0.5
133.10112	2.7
137.05997	0.5
143.08560	0.5
144.62492	0.4
145.10117	0.8
147.11679	0.7
161.09651	1.5
163.11140	0.5
189.09128	1.0
207.10164	0.5
215.11238	0.9
219.95932	0.5
230.74617	0.4
253.12823	1.2
271.13882	1.5
292.22690	0.5
321.57104	0.6
333.13281	0.5
333.19687	1.4
349.04706	0.4
351.21359	100.0
352.21609	3.2
369.21014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65968	1.3
53.03933	3.2
53.20807	1.3
55.01853	2.1
55.05503	18.5
56.96544	2.2
57.03435	6.7
57.07053	4.2
66.28961	1.3
67.05496	47.3
68.75787	1.3
69.07060	13.1
69.17608	1.3
69.84374	5.9
69.84777	2.5
79.05481	61.9
81.07048	50.0
83.04971	1.9
83.08607	6.7
85.06521	2.7
91.05470	60.0
93.07033	83.9
95.04968	8.3
95.08599	35.6
97.06514	5.5
97.10164	3.2
99.08054	3.7
105.07020	66.8
107.08582	45.3
109.06543	3.5
109.10139	14.2
111.08056	2.4
113.09592	1.9
117.07001	12.8
119.08568	57.2
121.09298	3.0
121.10130	39.6
123.08038	1.9
123.11673	3.3
128.06192	1.8
129.06947	10.4
131.08557	21.3
133.10118	52.3
135.07968	1.4
135.11676	38.2
142.07747	1.9
143.08575	8.1
145.10100	21.5
147.11674	51.5
148.12061	1.8
149.09595	3.1
149.13249	23.6
151.11189	2.2
157.10094	11.3
159.11674	20.0
161.13239	34.5
163.11107	3.2
163.14777	8.3
165.12735	2.1
171.11688	16.5
173.13255	12.8
175.11259	1.5
175.14806	15.9
177.12712	4.3
185.13239	10.5
187.14813	2.3
189.12708	2.9
189.16347	2.1
191.14438	1.8
199.14819	5.5
203.14137	1.9
210.26260	1.3
213.16393	4.9
215.17896	2.0
217.15939	2.0
217.19580	1.7
229.03783	1.5
231.17535	1.6
231.21002	9.5
232.64919	1.3
241.19450	33.3
241.21696	2.6
259.20547	100.0
260.20941	2.8
268.29840	1.5
277.21570	9.1
295.22681	1.6
333.24231	3.4
349.27951	1.6
351.18320	4.2
351.25253	84.0
352.25424	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
51.76046	0.8
53.03916	2.9
55.01838	1.5
55.05226	0.9
55.05501	16.3
56.96547	0.9
57.03431	8.1
57.07062	3.9
62.04886	0.7
64.40147	0.8
65.03911	2.4
67.05494	43.9
68.05824	0.7
69.03403	1.0
69.07059	14.0
71.04974	3.2
71.08608	1.4
71.42728	0.9
75.04449	1.9
77.03873	1.0
79.05483	63.3
79.65274	0.7
80.05823	0.7
81.03391	1.1
81.07044	58.7
82.07343	1.0
83.04939	2.4
83.08215	0.7
83.08611	8.9
85.06500	3.2
87.41576	0.7
91.05465	49.6
93.07030	87.8
94.07355	0.7
95.04950	7.6
95.08592	38.0
97.06508	4.6
97.10117	3.5
98.97606	1.3
99.08064	4.0
101.05996	1.1
103.05431	1.2
105.07016	56.2
107.04932	1.7
107.08581	52.7
109.06539	4.1
109.09445	1.3
109.10139	15.4
111.08076	1.6
113.09603	2.9
115.05428	0.9
117.07008	10.9
119.08564	52.2
120.08868	1.5
121.06454	1.0
121.10128	41.7
122.10455	1.2
123.08015	2.5
123.11696	4.6
125.09641	1.2
127.07572	0.8
128.06201	1.6
129.05463	1.6
129.06981	9.3
129.91174	0.7
130.07782	1.4
131.08545	22.4
133.10110	44.7
134.10434	0.9
135.08058	2.1
135.11673	42.1
136.11972	1.2
137.05963	3.4
137.09572	2.4
137.13162	0.9
142.07726	0.8
143.08528	9.9
145.09021	1.3
145.10097	18.6
147.07971	0.9
147.11667	46.5
148.12027	0.9
149.09654	3.8
149.13240	29.0
150.13538	0.7
151.11139	1.7
151.13370	0.8
152.98508	0.7
157.08907	1.1
157.10107	10.4
159.11667	18.4
160.12160	0.7
161.09573	2.7
161.13237	36.4
162.13591	0.9
163.11192	4.7
163.12302	0.7
163.14792	11.1
165.12762	1.3
171.11671	14.3
173.13240	10.8
175.11160	2.2
175.14795	20.6
177.00691	1.1
177.12759	3.7
177.14034	0.7
177.16310	1.2
179.14308	1.4
181.12152	0.8
185.11642	1.1
185.13232	13.0
187.14809	3.9
189.12709	3.7
189.16368	1.5
191.14249	2.1
195.13754	1.3
199.14767	8.5
201.16365	1.3
203.14291	2.2
207.13782	0.8
213.16309	4.9
215.17926	2.1
217.15877	1.9
217.19443	5.2
221.15326	1.6
231.17415	2.3
231.21077	9.8
235.16913	1.2
241.19469	40.0
242.19797	1.5
243.21196	0.8
259.20538	100.0
260.18515	1.1
260.20859	5.3
261.22266	1.1
277.18301	1.5
277.21591	16.7
279.20966	0.8
305.21130	0.7
315.22983	0.7
333.20346	1.0
333.24231	11.1
351.21329	3.2
351.25247	96.4
352.25452	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01852	5.5
55.05262	1.3
55.05504	24.4
57.03429	22.4
57.07050	3.5
58.06583	3.5
65.03921	4.3
67.05494	89.0
69.03400	1.3
69.06715	1.7
69.07059	22.9
69.36137	2.7
69.36546	11.1
71.04984	10.8
71.08620	1.8
77.03889	1.4
79.05482	95.3
81.02702	1.5
81.03382	2.3
81.07045	100.0
83.04984	8.5
83.08604	10.2
84.07019	1.2
85.06505	3.0
91.05471	65.1
93.07030	85.5
95.04957	13.2
95.08593	55.6
97.06512	6.8
97.10156	5.0
98.20805	3.8
98.21500	2.7
99.08070	4.3
101.05989	1.5
105.07017	40.0
107.08577	41.9
109.06495	10.1
109.10143	17.3
111.04393	5.9
111.08064	4.6
113.09658	1.4
115.05441	1.2
117.06991	12.4
119.08564	31.4
121.06564	1.5
121.10127	43.3
123.08075	3.6
123.11698	4.6
129.06975	5.1
131.08545	15.7
133.10115	23.2
135.08011	2.9
135.11673	25.4
137.05954	39.0
137.09586	2.4
137.13243	1.6
139.11160	1.4
143.08524	4.1
145.10126	11.1
147.11678	16.4
149.09613	2.6
149.13220	7.9
151.11185	3.1
157.10107	4.2
159.11636	9.7
161.09554	3.1
161.13239	9.2
163.11127	2.3
165.23582	1.1
171.11674	5.0
173.13240	6.0
175.11153	3.1
175.14804	4.0
177.12674	1.7
179.14278	2.8
185.13255	4.9
187.14742	2.7
191.14163	2.1
199.14809	2.3
203.17940	2.2
231.17488	3.1
231.20985	2.9
235.16942	1.5
238.11838	1.2
241.19502	3.6
249.18463	4.4
259.20532	16.0
273.42807	1.5
277.17953	18.2
277.21613	8.7
295.19037	5.0
351.21756	4.9
351.25272	80.8
352.25345	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
54.93505	1.1
55.01852	2.1
55.05504	16.7
56.96539	1.2
57.03425	8.2
57.07050	3.3
61.82331	0.9
61.93679	1.1
65.03925	2.0
67.05495	44.4
69.03406	1.5
69.07056	16.6
69.08545	1.1
69.45029	2.1
69.45446	7.3
71.04980	3.0
71.08598	2.6
75.04450	2.4
79.05482	65.9
81.07045	55.6
83.04963	2.5
83.08604	8.5
85.06537	3.7
91.05465	53.6
93.07029	98.9
95.04948	7.2
95.08595	36.9
97.06502	3.0
97.10149	3.1
99.08060	5.2
103.05462	1.6
105.06290	1.9
105.07014	57.1
107.08578	57.1
109.06480	3.3
109.10133	15.1
111.04408	1.1
111.08083	1.3
113.09613	2.1
117.06989	13.3
118.97836	1.1
119.08566	55.4
121.06476	1.4
121.10123	47.2
123.08060	2.3
123.11689	5.5
128.06213	1.1
129.05463	1.6
129.06996	8.8
131.08551	20.4
133.10110	47.3
134.10432	2.1
135.08115	2.5
135.11670	46.6
136.11948	1.3
137.05971	4.4
137.09576	1.5
137.13216	2.1
142.07758	1.3
143.08549	10.2
145.10104	23.7
147.07977	2.0
147.10472	2.5
147.11664	49.3
148.11923	1.2
149.09613	2.7
149.13228	29.2
151.11157	1.8
157.10091	11.3
159.11670	23.2
161.09590	2.6
161.13237	40.1
163.11180	2.8
163.14813	12.0
171.11662	16.0
173.13220	12.8
175.11234	3.0
175.14801	21.8
177.12735	3.7
178.81953	1.0
179.14253	2.0
185.13232	12.1
187.14810	3.7
189.12704	3.2
189.16440	2.2
199.14771	8.2
201.16377	1.2
203.14355	2.8
203.17877	1.5
206.10472	1.0
213.16373	4.4
215.17979	1.7
217.15977	1.9
217.19460	6.1
231.17415	4.2
231.21025	9.8
241.19469	41.0
242.19832	1.8
242.49852	1.0
243.20847	1.0
259.20535	100.0
260.20886	5.3
261.22025	1.1
277.18066	2.8
277.21570	16.6
293.02371	1.0
295.18982	1.5
333.24197	11.8
351.25253	89.6
352.25629	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01861	2.1
55.05500	12.2
57.03434	6.5
57.07057	3.1
57.35955	1.2
64.73016	1.1
65.03928	2.0
67.05495	36.0
69.07067	11.3
70.18002	5.7
71.04973	4.1
71.08626	2.0
75.04494	1.5
79.05483	48.9
79.71981	1.1
80.05827	2.1
81.06569	2.2
81.07048	41.8
83.04990	1.4
83.08624	7.0
85.06532	4.5
87.71747	1.2
91.04884	2.3
91.05470	48.0
93.07034	63.1
95.04943	5.6
95.08592	29.2
97.06532	3.1
97.10132	2.0
98.21201	3.3
99.08089	3.1
105.07018	49.4
107.08582	35.0
109.06514	3.1
109.10154	10.9
111.08070	1.8
113.09669	1.5
117.06991	12.0
119.08566	47.1
121.10127	28.6
123.08042	1.9
123.11707	2.8
125.09577	1.7
129.06978	9.9
131.08553	20.0
133.10110	43.8
134.10364	1.1
135.08037	2.8
135.11671	24.8
143.08543	8.6
145.10098	18.5
147.11671	43.6
149.09587	3.3
149.13245	18.7
151.11143	1.7
157.10121	8.0
159.11674	17.7
161.13242	35.9
162.13628	1.4
163.11189	2.4
163.14856	6.6
171.11705	16.2
173.13264	12.5
175.11218	2.9
175.14799	18.1
177.12706	2.9
185.13248	12.0
187.14787	2.9
189.12703	2.6
189.16367	2.7
199.14813	7.1
203.14330	1.3
213.16374	4.1
217.15883	1.2
217.19547	2.9
231.17451	2.6
231.21126	10.6
241.19479	33.3
242.19856	1.4
259.20547	100.0
260.20847	5.4
277.21585	5.6
324.54883	1.3
333.24185	2.2
351.21283	23.7
351.25266	79.2
352.21539	1.8
352.25464	4.7
364.32236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03932	2.7
55.01860	2.6
55.05503	18.7
56.00672	0.6
56.96553	0.7
57.03180	0.8
57.03434	11.0
57.07072	3.0
60.10251	0.6
65.03921	1.8
67.05495	54.2
69.03426	0.8
69.07059	17.8
69.45451	5.9
70.71741	0.6
71.04990	4.5
71.08621	5.5
75.04466	2.4
76.67250	0.7
77.03915	1.1
79.05483	62.6
80.05820	0.7
81.03420	2.3
81.07046	54.4
82.07381	0.9
83.04970	4.0
83.08607	10.1
85.06532	5.3
86.91398	0.7
91.05468	50.8
92.05800	0.8
93.07032	92.7
94.07380	1.3
95.04964	8.6
95.08594	39.1
97.06530	4.0
97.10161	4.0
98.21515	1.1
99.08076	8.2
101.05982	1.0
105.04529	1.5
105.07017	51.9
106.07330	1.9
107.04967	1.6
107.08580	52.0
108.08878	1.1
109.06479	3.3
109.10142	16.9
111.08081	2.3
113.09626	2.7
115.05416	1.0
117.06999	11.2
119.08566	49.7
121.06458	1.5
121.10126	42.3
122.10517	0.8
123.08041	1.8
123.11683	4.5
125.09659	1.8
126.09885	0.7
128.06111	1.6
129.05511	1.0
129.06989	7.2
130.07837	0.9
131.08553	18.5
133.10110	44.2
134.10435	1.2
135.08044	2.4
135.11668	41.9
136.12019	1.3
137.09605	2.0
137.13298	1.0
139.03900	1.9
139.11218	0.9
141.07010	0.7
141.09059	0.8
143.08530	9.0
145.10101	19.9
147.08038	1.3
147.11667	47.5
148.12009	1.5
149.09621	3.4
149.13235	27.3
149.75386	0.7
151.11162	3.7
157.10098	9.0
159.11667	17.6
161.09660	1.7
161.13231	34.4
163.11214	3.9
163.12457	0.7
163.14810	9.3
165.12776	1.2
171.11671	13.7
173.13228	11.8
175.11188	2.2
175.14796	17.3
176.15106	0.8
177.12715	3.5
177.16409	0.9
179.14307	6.9
181.12228	1.2
183.11726	1.0
185.13240	14.2
187.14821	2.8
189.11263	0.7
189.12686	3.5
189.16345	1.5
191.14229	1.1
193.12254	1.3
195.13716	1.5
199.14816	8.1
201.16359	2.1
203.14304	2.7
207.13722	1.2
213.16312	5.0
215.17941	1.8
217.15910	1.9
217.19534	4.6
221.15346	1.7
231.17424	2.6
231.21030	9.0
235.16896	1.0
241.19470	36.1
242.19777	1.5
259.20538	91.7
260.20795	2.9
261.22150	1.0
277.21597	21.0
278.21954	1.1
309.20554	0.9
333.24207	9.9
351.25250	100.0
352.25577	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.05500	18.0
57.03421	6.1
57.07064	3.4
65.03952	1.8
66.70454	1.3
67.05497	52.1
69.07050	21.1
70.60559	4.8
70.60954	3.2
71.04984	2.5
71.08618	4.2
75.04456	2.2
75.92306	1.6
77.03904	1.9
79.05480	67.4
81.06567	3.4
81.07044	55.0
83.04983	2.7
83.08581	6.7
85.06525	4.5
91.05466	58.4
93.07030	88.4
94.07378	2.1
95.04956	10.6
95.08594	38.4
97.06509	4.5
97.10148	4.1
99.08083	5.5
105.07011	62.4
106.07348	2.8
107.08575	44.6
109.06521	2.6
109.10146	12.0
111.08051	2.1
112.16144	1.6
113.09613	2.5
117.06982	14.4
119.08562	60.6
121.06457	2.2
121.10125	34.7
123.08038	3.3
123.11706	2.7
128.06233	2.3
129.06996	12.8
131.08556	21.1
133.10110	51.2
134.10490	1.8
135.08025	2.7
135.11673	35.4
137.09630	2.6
139.70457	1.8
142.07817	2.1
143.08536	12.6
145.10097	24.8
147.11670	47.4
149.13229	21.1
151.11165	3.3
157.10095	12.0
159.11649	20.2
161.09622	1.8
161.13235	46.8
163.11134	3.6
163.14734	7.6
168.50401	1.6
171.11662	17.2
173.13231	12.4
175.14792	18.5
177.12727	4.8
179.14307	2.3
185.13205	16.8
187.14796	5.2
199.14769	7.6
203.14351	2.0
206.07858	1.5
213.16319	4.6
215.18071	2.0
217.19615	4.1
228.29958	1.7
231.17433	2.0
231.21101	10.5
237.46080	1.8
241.19473	38.9
257.18799	1.9
259.20538	100.0
260.20923	4.6
277.21469	6.7
333.24197	4.2
351.18182	3.4
351.25247	81.9
352.25415	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01921	1.3
53.03941	2.5
55.01858	2.1
55.05505	16.6
57.03427	10.8
57.07062	1.8
65.03916	1.6
67.05495	46.6
69.07059	13.3
69.55479	6.1
69.55904	4.0
75.04465	2.8
77.03905	1.3
79.05482	64.4
81.06568	2.3
81.07046	48.1
83.08607	7.2
85.06520	3.7
91.05472	49.6
93.07031	90.1
94.07401	1.7
95.04969	6.1
95.08595	38.6
97.06515	2.0
97.10165	3.5
97.59325	1.2
98.20996	4.2
99.08088	3.5
105.07020	51.4
107.08578	52.6
109.06487	3.5
109.10133	15.0
113.09686	1.5
117.07000	14.6
119.08566	50.8
120.33605	1.2
121.10126	43.5
123.08042	1.9
123.11691	3.4
128.06218	1.7
129.06993	6.0
131.08559	21.2
133.09100	2.1
133.10118	43.2
135.08044	2.3
135.11674	47.5
137.09619	1.5
141.06866	1.4
143.08571	7.3
145.10112	19.4
147.11667	49.9
148.12025	2.0
149.09592	4.2
149.13239	31.7
151.11200	1.8
157.10092	6.5
159.11653	19.3
161.09607	2.1
161.13252	31.3
163.11192	3.6
163.14758	8.8
171.11687	13.5
173.13220	10.6
175.14810	15.6
177.12761	4.0
179.14322	1.7
185.13229	14.0
187.14824	3.1
189.12764	2.9
189.16350	1.8
199.14774	9.0
201.16351	1.5
213.16397	6.5
215.18024	2.1
217.15887	1.7
217.19482	2.0
231.17361	3.7
231.21039	7.8
241.19495	36.5
242.19911	2.0
253.89236	1.2
259.20541	100.0
260.20883	4.5
261.22198	1.6
277.21561	14.7
333.24152	10.7
351.25256	93.0
352.25522	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99507	1.2
53.03934	5.6
55.01852	2.2
55.05503	19.9
57.03425	13.0
57.07061	2.5
65.03922	2.6
67.05499	62.1
69.07053	16.4
70.23091	5.2
71.04978	6.9
71.08625	2.9
79.05483	76.1
81.07047	66.6
83.04967	3.4
83.08606	9.8
85.06530	4.4
91.05472	49.2
93.07033	96.3
95.04962	8.8
95.08598	45.4
97.06532	8.0
97.10152	3.7
98.21107	2.5
99.08092	5.7
105.07018	49.6
107.08578	54.0
109.06509	6.0
109.10148	16.3
111.08089	3.0
117.07009	9.8
119.08569	44.6
121.10130	48.5
123.08080	2.9
123.11696	3.1
125.09606	2.2
127.73063	1.6
129.07001	6.3
131.08551	19.8
133.10114	39.8
135.08069	1.9
135.11676	44.1
135.12700	2.5
137.05855	1.9
137.09564	2.3
137.13176	1.4
142.07768	2.3
143.08525	8.6
144.09288	1.3
145.10132	21.7
147.11674	30.1
149.09579	4.2
149.13248	22.4
151.11179	2.1
157.10121	8.7
159.11676	18.9
161.13235	25.7
163.11180	3.7
163.14795	5.0
165.12770	2.3
171.11685	11.6
171.50549	1.3
173.13246	8.0
175.14813	12.1
177.12741	2.1
179.14304	5.3
183.11797	1.5
185.13290	13.4
187.14856	4.2
189.12698	1.5
191.14252	1.6
195.13785	1.7
199.14807	7.5
203.14288	1.7
207.13739	1.5
213.16399	4.1
217.15790	2.2
217.19440	1.5
231.17450	2.6
231.21033	5.8
241.19493	20.1
241.21745	2.4
259.20554	70.3
260.20816	3.1
277.21558	13.6
311.50421	1.6
333.24332	7.8
339.52780	1.6
351.25284	100.0
352.09131	1.5
352.25558	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
53.88673	0.8
54.85032	0.8
55.01859	3.8
55.05506	22.5
55.05775	1.4
55.64963	0.9
57.03430	18.4
57.03698	1.8
57.07065	4.4
59.04981	1.0
65.03926	2.6
67.05497	59.1
68.05838	1.5
69.03415	2.2
69.07063	19.2
70.13416	2.7
71.04983	3.1
71.08625	49.9
79.05485	47.9
79.05953	1.9
81.03412	8.2
81.07048	58.1
83.04974	10.6
83.08604	12.8
85.06543	3.2
91.05475	36.0
91.06055	1.1
93.07030	66.2
95.04955	14.7
95.08595	42.1
97.06519	11.6
97.10145	5.5
99.08083	33.4
105.07018	26.3
107.04943	5.9
107.08586	34.8
109.06516	5.8
109.10144	19.1
111.08083	3.0
113.09634	3.2
117.06995	7.2
119.08572	23.5
120.08894	1.2
120.81517	0.8
121.06542	2.0
121.10133	27.5
123.08091	2.1
123.11704	3.4
125.09628	3.0
127.11206	1.8
128.06180	1.1
129.07010	4.3
131.08560	8.1
133.10114	16.2
135.08122	1.7
135.11678	36.5
137.09596	3.9
137.13280	1.1
139.11211	1.1
141.09090	4.4
142.07835	0.9
143.08588	2.5
145.10089	5.7
146.10289	1.0
147.08078	1.3
147.11673	12.6
149.13243	12.6
151.09947	1.2
151.11172	22.1
153.12788	1.6
157.10097	3.4
159.11679	5.7
161.09734	1.0
161.13261	14.2
163.11157	8.1
163.14830	3.3
165.12794	1.7
167.10681	3.3
171.11697	2.6
173.11836	1.1
173.13287	2.3
175.14812	2.4
177.12677	4.2
179.14290	100.0
180.14644	2.4
181.12210	1.4
185.13223	3.2
187.14769	2.1
189.11240	1.5
189.12776	3.7
191.14406	1.3
195.13953	1.4
199.14813	1.9
203.14342	1.6
207.13786	1.0
213.16365	1.6
217.19275	1.2
221.15352	3.0
231.21097	1.2
235.16910	5.6
241.19499	4.5
259.20544	10.7
277.21597	44.9
278.21777	2.2
333.24405	2.2
351.25308	64.1
352.25494	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11213	0.8
50.22590	0.8
53.03926	3.3
55.01857	3.1
55.05503	20.0
56.52838	0.9
57.03432	14.7
57.07068	3.8
65.03931	1.7
67.05496	54.9
67.77898	0.8
69.03399	1.1
69.06709	1.4
69.07059	17.5
69.07426	0.6
69.47278	0.8
70.15356	3.8
70.42776	0.8
71.04972	2.8
71.08623	47.6
72.14804	0.7
79.05483	42.6
81.03408	6.6
81.07047	51.5
82.07378	1.0
83.04974	8.3
83.08606	10.1
85.06519	4.3
91.05473	30.0
93.07030	54.7
95.04955	12.7
95.08591	36.3
96.08893	1.0
97.06505	8.5
97.10168	4.3
97.10700	0.8
99.08081	34.8
99.08739	1.7
105.07019	20.3
107.04945	6.5
107.07849	1.8
107.08578	36.6
109.06483	4.0
109.10142	17.7
111.08071	3.0
113.09633	2.4
117.06995	6.2
119.08569	18.0
121.06472	1.0
121.10126	26.7
121.84792	0.8
123.08054	3.0
123.11702	2.5
125.09603	2.2
127.11184	1.9
129.06943	2.0
131.08557	6.4
133.10118	15.3
135.08043	1.6
135.11678	36.2
136.11987	1.0
137.09610	4.9
138.06827	0.8
139.11142	1.4
141.09077	4.3
142.75423	0.9
143.08540	2.2
145.10091	4.8
147.08052	1.1
147.11667	10.0
149.09572	1.2
149.13235	11.5
151.11159	18.0
153.12732	2.0
157.10074	2.2
159.11720	4.7
161.09676	1.3
161.13235	14.0
163.11194	6.0
163.14793	3.6
165.12730	2.0
167.10718	2.5
171.11665	3.6
173.13264	1.8
175.14804	2.3
177.12695	4.5
179.14288	100.0
180.14639	3.3
181.12173	1.5
185.13239	2.6
189.11162	1.7
189.12750	2.5
192.62315	1.0
195.13817	1.3
199.14798	1.2
207.13759	1.5
213.16272	1.5
221.15314	3.7
231.21004	1.3
235.16962	5.1
241.19533	4.0
249.22034	1.3
254.03003	0.8
259.20526	10.2
277.21591	42.3
278.21997	1.7
333.24213	1.2
351.25269	57.5
352.25571	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	352.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20858	0.7
55.05505	5.5
57.03424	7.6
57.07072	10.7
59.04977	2.0
61.02916	1.7
67.05496	15.0
69.03405	2.3
69.06723	0.7
69.07036	3.4
71.04994	0.8
71.08593	0.7
71.63529	1.4
73.02928	0.7
77.21986	0.6
78.77417	0.8
79.05479	2.6
81.07046	62.2
82.07343	0.7
83.08593	0.7
85.02894	8.9
91.03947	0.7
93.07007	1.5
95.08593	3.6
97.02873	2.1
97.06512	1.1
97.10139	0.8
99.08081	100.0
100.08432	1.2
107.08563	1.2
109.10144	33.0
111.08111	0.8
111.11708	1.3
127.03957	0.7
127.11162	4.0
133.10143	0.8
137.09602	7.3
137.13232	7.1
145.04990	0.9
155.10655	61.3
155.14281	44.0
156.11069	1.4
173.11719	27.4
173.15337	14.5
180.08669	2.1
191.14259	1.1
249.42430	0.7
352.12936	1.1
353.15735	7.3
353.19568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.00601	0.5
55.01871	0.5
55.05507	4.1
57.03428	6.9
57.07075	3.9
58.21420	0.4
59.04997	0.5
61.02927	0.9
63.60037	0.5
65.03934	0.5
67.05498	15.0
67.26826	0.6
69.03413	2.5
69.07058	2.0
69.30333	2.1
69.30762	3.0
69.44413	0.5
71.04977	1.4
71.08626	0.7
72.08113	1.1
79.05482	3.2
79.64615	0.5
81.03429	0.7
81.07047	57.8
82.07401	0.8
83.08604	0.8
83.96107	0.5
84.08184	0.5
85.02904	6.3
87.79619	0.5
91.04040	0.5
91.05459	0.7
93.07031	1.7
95.04974	0.8
95.08602	2.7
97.02891	2.2
97.06520	1.5
99.04448	0.8
99.08081	100.0
105.07054	0.7
107.08585	0.8
109.02875	1.0
109.06555	0.6
109.10143	31.8
111.08112	1.0
119.08572	1.3
122.67203	0.5
127.03902	1.1
127.11185	3.3
133.06454	0.9
133.10013	0.6
135.08049	0.7
137.02328	1.4
137.09593	7.5
137.13263	2.4
138.58035	0.5
144.07918	0.6
145.05000	1.3
146.06119	0.6
155.10652	57.5
155.14276	17.1
156.10994	1.2
159.09203	1.1
166.22346	0.5
173.11723	23.0
173.15367	4.6
180.08615	1.3
190.14262	0.5
191.14278	0.8
288.05713	0.6
301.03363	0.9
311.05408	0.7
314.58173	0.6
319.04526	1.0
352.08267	2.6
352.13245	1.0
352.25885	1.3
353.06674	1.5
353.15756	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	353.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01867	5.4
55.05506	6.5
56.96546	2.3
57.03415	3.1
57.07066	3.3
61.02923	3.2
61.75568	1.6
67.05488	7.5
69.03066	2.4
69.03419	23.3
69.07049	13.0
70.06577	3.3
71.01330	1.5
71.04990	4.3
71.60915	2.0
72.08150	2.4
73.02904	2.2
79.05496	6.8
81.03397	6.1
81.07059	8.3
83.04962	6.2
83.08608	2.9
84.08171	1.5
85.02895	17.3
85.06535	3.2
86.09673	1.8
91.05474	13.8
93.07034	14.1
95.04971	4.0
95.08604	13.6
97.02877	11.6
97.06508	6.8
98.21221	1.7
99.04453	3.3
105.07014	16.9
107.04889	1.9
107.08579	52.9
109.02857	2.9
109.06499	3.9
109.10143	7.2
111.04411	2.0
111.08045	2.9
115.03931	2.0
116.98646	2.0
117.06999	4.6
119.04886	1.9
119.08566	36.5
120.08090	2.0
121.02846	3.1
121.06478	11.5
121.09286	3.0
121.10125	29.6
123.04473	1.6
123.08070	6.7
125.05961	2.4
127.03873	10.3
129.06995	3.4
130.06491	1.8
131.08543	14.9
133.06522	2.4
133.10114	31.3
135.04413	1.9
135.08037	16.1
135.11665	13.9
137.02299	2.8
137.05981	3.2
137.09601	7.0
142.07710	1.7
143.03386	1.6
143.08557	6.0
145.04932	3.1
145.10120	10.7
146.05925	1.9
147.04410	8.4
147.11661	27.7
149.09621	4.1
149.13239	39.1
153.01837	6.1
155.08562	3.5
157.10095	3.9
158.10889	5.0
159.11647	3.4
161.09648	1.9
163.03828	4.7
163.07449	2.1
163.11166	2.2
163.14807	7.2
169.09946	1.6
171.11705	5.6
173.09645	6.3
173.13243	37.5
175.07664	1.9
175.11249	2.1
175.14801	36.8
177.05458	3.4
185.13287	2.3
187.14888	2.0
189.12668	3.9
191.14279	100.0
192.14787	2.1
193.15878	3.3
203.14221	2.6
205.04990	3.6
209.15401	3.0
215.14345	5.9
217.04961	5.4
227.57639	1.8
231.13603	2.0
233.04474	7.5
233.15309	3.7
233.56459	1.7
245.04468	6.4
253.15839	2.0
261.03705	4.1
273.03912	5.7
275.16507	2.3
281.15417	1.8
287.16455	6.9
289.03317	13.0
290.04211	2.0
291.04956	16.2
299.16483	1.9
303.04916	4.0
317.02942	4.3
317.17419	4.7
319.04346	2.9
335.18695	5.0
353.15619	6.0
353.19519	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	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
54.24412	2.6
55.01883	3.8
55.05497	14.1
56.96540	3.6
57.03430	8.3
57.07059	6.4
57.26352	2.5
61.02910	4.9
67.05482	14.9
67.53609	2.7
69.03422	30.1
69.07050	18.9
69.80054	4.5
69.80460	12.4
70.06578	5.1
71.01345	2.6
71.04978	17.6
72.08153	3.0
73.02908	5.1
79.05486	14.3
81.03422	11.4
81.07057	27.1
83.04970	11.8
83.08598	4.9
84.08137	4.3
85.02894	76.6
85.06537	6.1
86.09721	5.6
86.71347	2.6
87.04451	3.4
91.05470	43.2
93.07043	24.6
95.04967	10.5
95.08598	21.9
97.02875	18.5
97.06512	8.7
98.97571	3.9
99.04460	9.4
103.05450	2.8
105.07015	52.4
107.04916	3.4
107.08582	46.5
108.93720	2.9
109.02887	8.4
109.06519	7.8
109.10145	10.5
111.04443	5.5
111.08087	3.0
115.03963	4.0
115.05425	3.3
116.98608	4.4
117.07001	9.6
119.04907	22.6
119.08567	51.2
120.08064	3.7
121.02822	3.2
121.10130	66.7
123.04443	2.8
123.08072	9.0
123.11665	3.7
124.07600	5.1
125.74597	3.3
127.03900	13.6
129.06973	5.2
131.08557	61.0
133.06410	3.4
133.10127	37.8
134.05988	6.7
134.99655	5.0
135.04276	3.0
135.08040	19.0
135.11662	58.5
136.07550	9.1
137.05981	3.8
137.09581	6.2
137.13164	3.3
143.08569	11.0
144.09344	3.7
145.05003	6.7
145.10118	27.7
146.05983	4.1
147.04399	54.3
147.11653	38.7
148.11977	2.9
149.06021	3.0
149.09613	8.1
149.13231	7.8
152.02969	2.8
152.07047	9.2
153.09125	2.9
155.10648	3.2
155.14302	11.3
156.09378	6.4
156.10956	3.4
157.10095	11.3
158.10898	10.3
159.11761	14.7
161.06004	3.6
161.09639	4.3
161.13208	4.1
162.05446	3.2
163.03920	6.7
163.11183	3.7
163.14798	10.5
164.07007	14.0
164.77463	3.2
169.10133	4.4
171.11697	10.9
173.07111	5.0
173.09636	3.6
173.11736	6.0
173.13229	100.0
173.15392	12.1
174.12080	3.9
174.13603	3.1
175.11147	4.3
175.14815	63.0
175.16257	4.9
177.00800	3.4
183.11667	5.1
185.13239	3.4
187.11075	2.8
189.12715	8.5
191.08160	8.0
191.14282	80.1
191.16063	5.1
193.08495	3.5
195.11647	2.7
196.09662	4.5
197.13232	3.1
201.12779	5.2
203.14308	5.6
204.95561	2.7
209.15411	3.1
215.14383	6.8
233.15375	6.5
273.14679	3.1
275.16360	3.0
291.15909	8.4
295.71490	2.5
299.16501	3.6
317.14636	3.7
335.11777	3.7
335.18832	5.8
353.12787	10.6
353.19495	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	353.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01867	5.4
55.05506	6.5
56.96546	2.3
57.03415	3.1
57.07066	3.3
61.02923	3.2
61.75568	1.6
67.05488	7.5
69.03066	2.4
69.03419	23.3
69.07049	13.0
70.06577	3.3
71.01330	1.5
71.04990	4.3
71.60915	2.0
72.08150	2.4
73.02904	2.2
79.05496	6.8
81.03397	6.1
81.07059	8.3
83.04962	6.2
83.08608	2.9
84.08171	1.5
85.02895	17.3
85.06535	3.2
86.09673	1.8
91.05474	13.8
93.07034	14.1
95.04971	4.0
95.08604	13.6
97.02877	11.6
97.06508	6.8
98.21221	1.7
99.04453	3.3
105.07014	16.9
107.04889	1.9
107.08579	52.9
109.02857	2.9
109.06499	3.9
109.10143	7.2
111.04411	2.0
111.08045	2.9
115.03931	2.0
116.98646	2.0
117.06999	4.6
119.04886	1.9
119.08566	36.5
120.08090	2.0
121.02846	3.1
121.06478	11.5
121.09286	3.0
121.10125	29.6
123.04473	1.6
123.08070	6.7
125.05961	2.4
127.03873	10.3
129.06995	3.4
130.06491	1.8
131.08543	14.9
133.06522	2.4
133.10114	31.3
135.04413	1.9
135.08037	16.1
135.11665	13.9
137.02299	2.8
137.05981	3.2
137.09601	7.0
142.07710	1.7
143.03386	1.6
143.08557	6.0
145.04932	3.1
145.10120	10.7
146.05925	1.9
147.04410	8.4
147.11661	27.7
149.09621	4.1
149.13239	39.1
153.01837	6.1
155.08562	3.5
157.10095	3.9
158.10889	5.0
159.11647	3.4
161.09648	1.9
163.03828	4.7
163.07449	2.1
163.11166	2.2
163.14807	7.2
169.09946	1.6
171.11705	5.6
173.09645	6.3
173.13243	37.5
175.07664	1.9
175.11249	2.1
175.14801	36.8
177.05458	3.4
185.13287	2.3
187.14888	2.0
189.12668	3.9
191.14279	100.0
192.14787	2.1
193.15878	3.3
203.14221	2.6
205.04990	3.6
209.15401	3.0
215.14345	5.9
217.04961	5.4
227.57639	1.8
231.13603	2.0
233.04474	7.5
233.15309	3.7
233.56459	1.7
245.04468	6.4
253.15839	2.0
261.03705	4.1
273.03912	5.7
275.16507	2.3
281.15417	1.8
287.16455	6.9
289.03317	13.0
290.04211	2.0
291.04956	16.2
299.16483	1.9
303.04916	4.0
317.02942	4.3
317.17419	4.7
319.04346	2.9
335.18695	5.0
353.15619	6.0
353.19519	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.8
55.05503	11.9
56.33682	0.8
57.03400	3.5
57.07042	3.3
57.10037	0.7
65.03889	2.2
67.05496	80.4
68.05803	1.9
69.07056	10.6
71.04939	2.8
71.08591	1.5
75.04450	1.9
79.05483	41.7
79.39135	0.7
80.05783	1.0
81.07047	82.2
82.07362	1.1
83.04969	1.7
83.08607	7.4
85.06480	2.4
91.05466	20.3
93.07033	53.8
94.07350	1.8
95.04914	3.4
95.08595	62.1
96.08899	1.2
97.06483	3.3
97.10117	2.9
99.08023	2.1
105.07013	16.9
107.08582	32.9
109.06474	1.9
109.10141	32.1
111.08028	2.1
111.11692	0.8
113.09607	1.4
115.24884	0.8
117.06997	7.8
119.07783	1.0
119.08566	14.2
121.10126	32.6
123.08035	1.7
123.10831	1.0
123.11696	19.2
125.09560	1.6
130.07687	0.9
131.08554	19.8
133.10115	11.6
134.10388	0.8
135.11682	26.6
136.12012	0.7
137.09567	2.0
137.13217	7.5
138.13528	0.8
139.11073	1.4
145.09018	1.4
145.10097	15.2
147.11673	11.2
149.13242	20.2
151.11186	1.2
151.14755	3.0
153.12700	1.8
159.11674	13.8
161.13231	8.9
163.14792	11.9
165.12671	0.9
173.13237	14.8
174.13519	1.0
175.14772	4.1
177.12769	1.4
177.16368	5.0
179.14244	2.5
187.14815	8.9
188.39943	0.7
191.14259	1.4
201.16359	2.5
205.15727	1.4
215.17993	1.1
219.17487	1.5
233.22589	4.1
243.21057	26.5
244.21208	1.7
261.22107	100.0
262.22446	6.4
263.23599	1.4
279.23117	3.0
281.10550	0.8
299.11688	1.3
317.24860	1.2
335.25760	10.2
353.26837	35.4
354.27118	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.97261	0.9
53.01461	1.0
53.03934	3.2
55.01858	1.6
55.05260	1.5
55.05507	24.3
56.96548	1.1
57.03433	15.3
57.07062	3.1
65.03935	3.1
67.05497	83.1
68.05810	1.4
69.03403	1.5
69.07060	22.8
71.04984	9.2
71.61802	0.9
79.05483	33.1
81.07048	100.0
82.07402	2.2
83.04974	3.9
83.08611	11.8
85.06542	4.6
91.05472	16.1
93.07034	35.4
94.07350	1.7
95.04977	5.0
95.08595	70.1
96.08902	2.1
97.06516	5.5
97.10159	7.0
98.21050	1.1
99.08113	2.4
105.07009	14.2
107.08582	19.0
109.06529	3.5
109.10140	27.0
110.10479	1.2
111.08075	3.3
117.07019	3.6
119.08567	9.2
121.10123	20.5
123.08089	2.7
123.11691	10.5
125.09658	1.4
127.07582	1.6
131.08562	7.6
133.10120	7.9
135.11673	12.8
137.09618	1.8
137.13266	2.8
143.08546	1.3
145.10133	6.2
147.11688	6.1
149.13246	7.9
151.01598	1.1
151.14789	1.2
154.12279	2.1
159.11708	4.5
161.13271	6.6
163.11174	1.7
163.14827	3.2
165.12770	1.7
171.11705	1.3
173.13286	4.2
175.14795	1.6
177.16359	1.2
179.14342	1.4
187.14807	2.1
200.47516	1.1
201.16405	1.3
215.14467	1.1
233.15526	1.7
243.20976	1.6
255.46530	1.2
261.22144	9.9
262.22568	1.3
278.05594	1.0
279.23169	2.0
294.24307	2.8
308.25665	1.1
335.25705	3.8
338.06577	1.2
349.18582	1.6
353.17142	3.0
353.26886	69.8
354.27005	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	1.8
55.01874	1.1
55.05502	13.6
57.03426	6.3
57.07066	5.4
59.49632	0.5
65.03937	2.7
66.04702	0.6
67.05494	93.6
68.05818	1.2
69.07054	13.2
71.04975	2.2
71.08620	1.5
75.04465	2.0
77.03926	0.8
79.05481	36.8
80.05827	0.9
81.07044	100.0
82.07372	2.1
83.04973	1.5
83.08608	7.6
85.06537	3.3
91.05466	18.4
93.07030	51.2
94.07360	1.4
95.04949	3.6
95.08594	75.4
96.08942	2.7
97.06529	3.5
97.10142	3.7
99.08091	2.9
105.06292	0.6
105.07011	15.1
107.08578	38.1
108.08942	0.7
109.06510	1.6
109.10137	39.2
110.10487	1.3
111.08076	2.0
111.11693	0.8
111.29646	0.5
113.09631	2.1
117.07009	7.9
119.07941	0.3
119.08566	13.9
121.10123	31.1
122.10458	1.0
123.08085	1.4
123.11687	23.2
124.12074	0.8
125.09608	1.5
126.86368	0.5
127.11164	1.1
129.06972	0.5
131.08548	18.0
132.08908	0.6
133.10112	11.4
135.08038	0.7
135.11670	23.5
135.12694	1.2
136.12032	1.0
137.09631	1.8
137.13232	9.1
138.80215	0.5
139.11209	1.0
145.10094	13.4
146.10468	0.7
147.11664	9.5
148.12050	0.7
149.13234	17.9
151.11145	1.3
151.14751	1.7
153.12708	1.2
157.10184	0.6
159.11671	12.1
160.12114	0.5
161.13229	7.0
163.11206	1.2
163.14796	10.7
165.12704	2.1
165.16399	0.6
167.14366	0.8
173.13225	14.5
174.13599	1.3
175.14821	3.2
177.12685	0.9
177.16371	4.6
179.14307	1.1
187.14789	8.3
189.16376	0.9
191.14380	1.3
194.72044	0.6
201.16360	3.4
205.15858	1.5
209.15424	0.8
215.17950	1.4
219.17334	0.6
229.18987	0.5
233.19038	1.1
233.22627	3.7
243.21056	25.7
244.21387	1.6
261.22104	83.3
262.22501	5.3
263.23840	0.6
279.23129	5.7
280.23630	0.7
317.24884	1.3
335.25760	12.9
336.26169	1.4
353.26819	31.0
354.27151	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	1.8
55.01868	1.3
55.05503	14.8
55.82792	0.5
57.03430	6.1
57.07059	4.0
65.03933	2.8
67.05495	93.1
68.05830	1.3
69.07060	14.4
69.42361	2.3
69.42784	3.8
71.04988	2.6
71.08623	2.0
75.04479	1.6
76.02818	0.6
77.03905	0.6
79.05482	37.8
80.05823	0.7
81.07045	100.0
82.07383	1.8
83.04983	1.8
83.08608	8.1
84.85851	0.6
85.06519	2.5
86.42934	0.6
91.04893	0.8
91.05054	0.4
91.05466	19.5
93.07031	51.1
94.07332	1.4
95.04961	3.1
95.08593	72.9
96.08949	1.6
97.06510	2.8
97.10145	3.4
98.21485	1.4
99.08095	2.4
105.07022	16.4
107.08580	37.8
108.08918	0.9
109.06490	1.5
109.10139	36.8
110.10480	0.9
111.08083	2.8
111.11718	1.3
113.09612	1.3
114.67670	0.6
116.48110	0.7
117.07006	8.7
118.35262	0.6
119.08570	14.0
121.10127	32.6
122.10436	0.7
123.08083	1.8
123.10801	1.2
123.11694	23.2
125.09604	1.0
127.11232	0.7
129.07027	0.8
131.08551	20.6
133.10114	12.6
135.08046	0.7
135.11671	24.6
137.09599	1.7
137.13229	9.1
139.11180	1.8
145.10100	14.9
146.10513	0.7
147.11664	9.8
149.09642	1.2
149.13235	20.7
150.13606	0.8
151.11200	1.2
151.14842	2.5
153.12730	1.1
159.11664	14.7
161.13232	9.1
163.11198	1.0
163.14799	12.4
163.16072	1.1
164.15134	0.9
165.12755	1.9
171.11693	0.7
173.13229	14.6
174.13594	1.2
175.14833	3.7
177.12752	1.4
177.16357	4.6
179.14299	2.0
187.14780	8.8
188.15202	0.7
189.16377	1.0
191.14258	1.5
195.12402	0.6
201.16371	2.6
205.15889	1.5
215.17709	0.9
219.17503	0.8
233.22589	4.2
243.21054	25.9
244.21478	1.2
261.22107	93.5
262.22464	8.5
263.23669	1.3
279.23169	6.9
317.24786	1.3
335.25760	15.7
336.26102	1.3
353.26840	35.3
354.27161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05505	11.3
57.03437	3.1
57.07064	3.4
58.45638	1.5
58.54128	1.3
59.12294	1.5
65.03947	2.0
66.55486	1.5
67.05497	76.2
68.05831	2.4
69.07056	8.2
69.56104	12.0
69.56439	2.9
71.04990	2.6
71.08617	1.6
75.04478	1.5
79.05486	34.5
81.07049	79.0
83.04967	1.8
83.08605	7.5
85.06524	2.6
91.05461	18.1
93.07038	53.3
93.07621	3.2
94.07339	2.1
95.04945	3.9
95.08599	58.9
96.08978	1.6
97.06506	2.1
97.10149	2.9
98.21467	2.0
99.08073	2.8
105.07027	14.7
107.08582	32.1
108.08940	1.8
109.10145	35.9
110.10500	1.4
111.08062	2.1
117.07020	4.8
119.08593	13.6
121.10130	28.1
123.08051	2.1
123.11706	19.7
125.09626	1.6
131.08551	17.5
133.10121	12.4
135.11681	25.0
137.09605	1.7
137.13234	8.0
139.11151	1.5
145.10100	15.5
147.11658	9.9
149.13272	15.5
151.11263	2.1
151.14798	3.0
153.12709	1.9
159.11693	13.9
160.12183	1.5
161.13196	6.6
163.14816	10.9
173.13249	12.4
175.14832	3.2
177.16429	5.5
179.14352	1.9
187.14818	9.4
201.16307	2.3
205.15892	1.8
215.18016	1.8
219.17307	1.7
233.22684	4.6
243.21077	25.2
244.21422	1.9
261.22119	100.0
262.22412	8.1
279.23166	3.0
335.25647	8.0
353.26859	36.0
354.27243	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.98367	2.5
54.95041	2.5
55.05501	11.3
57.03426	5.3
57.07061	3.9
67.05499	85.6
69.07061	13.1
69.94808	13.4
78.86749	2.5
79.05485	31.7
81.07044	93.9
83.08610	6.5
91.05457	12.5
93.07031	44.3
95.04983	3.2
95.08595	68.1
97.06582	4.3
97.10139	3.4
98.20802	4.0
98.21365	6.2
105.07005	12.6
107.08583	33.5
109.10140	36.3
117.07002	5.3
119.08562	10.9
121.10142	29.5
123.08144	3.3
123.11707	26.4
131.08551	19.9
133.10123	15.8
135.11658	27.1
137.13254	9.9
139.02446	2.6
139.11201	3.8
145.10101	13.9
145.53326	2.5
147.11664	9.0
149.13246	20.2
151.14819	4.2
159.11702	14.9
161.13228	11.2
163.14822	16.0
173.13232	16.5
175.14818	3.3
177.12698	2.5
177.16371	3.9
187.14812	8.1
191.14351	2.8
201.16269	3.3
233.22578	3.1
243.21046	31.8
261.22076	100.0
262.22385	6.1
279.23224	5.3
335.25720	17.7
353.26794	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.8
55.01876	1.2
55.05501	9.2
57.03426	3.8
57.07061	4.6
60.33654	1.1
65.03918	2.0
67.05498	69.2
67.94410	1.2
68.05827	1.9
69.07063	13.7
69.95247	4.6
71.04972	3.2
71.08615	2.0
74.64622	1.1
75.04440	1.1
76.33457	0.9
79.05484	37.2
81.07049	83.0
82.07400	1.6
83.04982	1.1
83.08611	7.5
84.37560	1.0
85.06519	1.8
91.05470	21.2
93.07036	50.6
94.07347	1.6
95.04966	3.6
95.08598	59.4
96.08916	1.7
97.06524	3.5
97.10159	4.5
98.21101	3.0
99.08082	2.7
103.17989	1.1
105.06374	1.6
105.07016	17.0
107.08579	35.1
108.08926	1.2
109.06542	1.3
109.10146	33.5
111.08070	1.3
113.09634	1.0
117.06986	6.9
119.08578	14.4
121.10140	28.2
122.10420	1.4
123.11697	19.6
131.08549	19.8
133.10129	13.1
135.11671	24.7
137.09569	1.6
137.13243	9.6
145.10110	14.7
147.11647	9.4
149.13240	20.9
150.13634	1.1
151.14810	2.7
153.12714	2.2
159.11681	15.1
161.13225	8.8
163.14798	14.9
165.12808	2.2
173.13235	14.9
175.14781	4.1
177.16383	5.3
179.14217	1.9
187.14795	7.5
191.14182	1.2
201.16333	2.9
205.15851	2.8
211.04303	1.0
212.43253	1.3
214.39072	1.2
233.22697	4.7
243.21053	23.3
261.22113	100.0
262.22415	9.5
263.23730	1.8
279.23175	5.1
335.25760	9.7
336.26205	1.3
353.26807	37.3
354.27322	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13687	1.6
53.03934	3.0
54.98117	1.6
55.05505	14.0
57.03431	4.0
57.07051	8.0
57.81203	1.8
58.05985	1.8
62.72984	1.9
67.05499	84.3
68.05806	1.9
69.07059	13.9
69.34912	5.4
69.35337	12.6
71.04974	2.1
71.08637	3.7
79.05046	3.0
79.05489	56.5
81.07052	100.0
83.08598	7.3
85.06516	4.2
85.10181	2.9
91.05482	24.9
93.07042	66.4
94.07375	1.9
95.04915	4.8
95.08598	78.8
96.08916	2.4
97.06515	4.4
97.10147	4.1
98.20592	1.8
99.08087	5.3
105.07027	17.2
107.08585	44.2
109.10153	30.9
111.08093	2.1
113.09621	3.0
117.07022	10.6
119.08570	14.6
121.10139	32.8
123.11703	16.4
131.08556	23.8
133.10153	11.6
135.11687	25.5
137.13268	8.3
143.72864	1.7
145.10124	18.6
147.11703	11.8
149.09601	2.1
149.13254	22.6
151.14844	3.6
153.12802	2.8
159.11653	14.3
161.13255	10.1
163.11119	3.5
163.14816	16.7
165.12775	1.9
165.16318	1.7
173.13245	17.2
175.14828	5.3
177.12695	3.4
177.16344	7.5
182.41460	2.1
187.14821	12.3
200.90198	2.0
201.16353	4.0
233.22635	8.0
243.21075	37.9
244.21393	3.4
261.22137	94.6
262.22351	8.1
279.23132	3.9
335.25748	16.9
336.26282	2.9
353.27023	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.75185	1.1
51.02380	1.0
53.03949	2.2
55.01871	2.5
55.05503	22.7
57.03431	17.3
57.07071	2.4
60.27121	0.9
61.64395	1.2
65.03939	4.2
67.05495	86.9
69.03419	1.7
69.07061	23.0
69.53495	8.8
70.07388	1.1
71.04991	8.3
71.57273	1.1
78.43035	1.1
79.05482	39.4
79.08259	1.0
80.05025	1.3
81.07047	100.0
82.07380	2.2
83.04975	2.0
83.08603	17.8
83.09035	1.4
85.06529	5.3
91.05470	31.0
93.07035	41.5
93.07606	2.2
94.07379	1.1
95.04964	5.5
95.08595	74.7
96.08936	1.8
97.06519	6.9
97.10151	6.9
98.21031	3.6
99.08092	2.7
105.07011	22.4
105.07638	1.6
107.08575	26.8
107.09251	1.5
109.06538	3.5
109.10143	26.9
111.08079	4.0
111.11755	1.7
117.07011	5.4
119.08556	14.3
121.10130	24.8
121.79771	1.2
123.08088	3.9
123.11703	10.3
125.09692	2.2
129.07010	1.7
131.08537	9.1
133.10110	13.0
135.08092	1.6
135.11674	15.8
137.09665	2.9
137.13301	3.6
139.11230	2.1
139.96609	1.2
143.08539	1.6
144.05984	1.0
145.10109	9.1
145.11070	1.0
147.08043	1.2
147.11658	10.7
149.09650	2.8
149.13263	6.5
153.12825	1.1
157.10132	2.1
159.11748	4.5
161.13252	7.6
163.11246	2.6
163.14914	2.9
169.10109	1.4
171.11755	1.3
173.13319	3.6
175.11226	1.1
175.14885	3.0
177.12843	1.5
177.16527	1.1
179.14307	2.1
185.13193	1.4
187.14833	2.8
189.16583	1.1
190.74577	1.1
197.13324	2.0
201.16434	1.9
213.16264	1.6
219.21164	1.3
221.56950	1.1
233.22638	1.2
237.16437	1.5
243.21223	3.8
255.16110	1.9
257.15460	1.3
261.22079	14.2
277.08560	1.1
279.23306	3.4
283.17056	1.9
307.24246	5.2
335.25888	4.2
353.27026	70.8
354.27298	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75185	1.1
51.02380	1.0
53.03949	2.2
55.01871	2.5
55.05503	22.7
57.03431	17.3
57.07071	2.4
60.27121	0.9
61.64395	1.2
65.03939	4.2
67.05495	86.9
69.03419	1.7
69.07061	23.0
69.53495	8.8
70.07388	1.1
71.04991	8.3
71.57273	1.1
78.43035	1.1
79.05482	39.4
79.08259	1.0
80.05025	1.3
81.07047	100.0
82.07380	2.2
83.04975	2.0
83.08603	17.8
83.09035	1.4
85.06529	5.3
91.05470	31.0
93.07035	41.5
93.07606	2.2
94.07379	1.1
95.04964	5.5
95.08595	74.7
96.08936	1.8
97.06519	6.9
97.10151	6.9
98.21031	3.6
99.08092	2.7
105.07011	22.4
105.07638	1.6
107.08575	26.8
107.09251	1.5
109.06538	3.5
109.10143	26.9
111.08079	4.0
111.11755	1.7
117.07011	5.4
119.08556	14.3
121.10130	24.8
121.79771	1.2
123.08088	3.9
123.11703	10.3
125.09692	2.2
129.07010	1.7
131.08537	9.1
133.10110	13.0
135.08092	1.6
135.11674	15.8
137.09665	2.9
137.13301	3.6
139.11230	2.1
139.96609	1.2
143.08539	1.6
144.05984	1.0
145.10109	9.1
145.11070	1.0
147.08043	1.2
147.11658	10.7
149.09650	2.8
149.13263	6.5
153.12825	1.1
157.10132	2.1
159.11748	4.5
161.13252	7.6
163.11246	2.6
163.14914	2.9
169.10109	1.4
171.11755	1.3
173.13319	3.6
175.11226	1.1
175.14885	3.0
177.12843	1.5
177.16527	1.1
179.14307	2.1
185.13193	1.4
187.14833	2.8
189.16583	1.1
190.74577	1.1
197.13324	2.0
201.16434	1.9
213.16264	1.6
219.21164	1.3
221.56950	1.1
233.22638	1.2
237.16437	1.5
243.21223	3.8
255.16110	1.9
257.15460	1.3
261.22079	14.2
277.08560	1.1
279.23306	3.4
283.17056	1.9
307.24246	5.2
335.25888	4.2
353.27026	70.8
354.27298	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	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03927	0.5
56.96561	0.2
57.03415	0.8
59.04990	0.4
60.04505	0.4
61.02892	0.7
65.03921	0.3
67.05483	0.7
69.03417	2.5
69.07062	0.4
70.06570	0.6
71.04957	0.8
71.25391	0.7
72.08141	0.4
73.02895	0.9
73.06562	0.2
79.05469	0.6
81.03400	0.8
83.01360	0.2
85.02898	4.4
87.04443	0.6
91.05431	2.9
94.06561	3.8
95.01304	1.3
95.04938	0.8
97.02866	1.3
98.97610	0.5
99.04430	0.7
105.03380	0.4
109.02860	0.7
111.08073	0.3
113.05968	0.3
115.07545	1.3
116.98596	0.5
117.05740	0.7
118.06534	6.3
119.04926	2.3
120.08143	0.3
122.06010	5.1
123.04386	0.3
125.02327	0.5
127.03889	1.0
131.04945	0.5
133.02824	0.5
134.05980	0.5
135.04436	0.6
136.07527	0.5
139.03851	0.4
139.07545	0.2
141.01790	0.6
145.02826	0.6
145.05122	0.4
146.05991	15.2
147.04390	7.5
147.06778	0.8
148.04726	0.4
148.07590	0.6
149.11731	0.4
150.05536	1.3
155.03383	1.2
157.08569	1.2
162.05496	1.4
163.02679	0.4
163.03877	2.7
164.07068	5.7
168.45419	0.3
173.04483	0.4
174.05487	100.0
175.05884	1.8
175.09641	0.8
176.07065	0.9
177.05478	0.4
179.07063	0.3
188.07021	0.7
190.05183	0.3
192.06532	49.0
193.04951	1.7
193.06891	1.0
204.06529	0.3
218.08109	0.3
234.07545	0.3
237.02734	0.6
251.36751	0.3
319.04477	0.3
336.10706	1.0
337.09146	0.4
354.11801	53.6
355.07693	0.4
355.12247	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3361
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03962	0.6
55.05260	0.5
55.05506	8.7
56.05016	2.0
57.05803	1.4
57.07070	13.1
58.02942	1.8
58.06594	20.5
59.06111	0.9
60.04518	7.5
66.73083	0.5
67.05496	6.7
69.07060	18.8
70.02950	2.9
70.06242	0.6
70.06585	6.9
71.04974	2.2
71.08625	9.1
71.30316	1.0
72.04491	1.7
72.08148	1.2
74.06073	2.4
75.98164	0.4
79.05466	2.0
81.07050	14.0
82.06556	1.8
82.07359	0.4
83.04960	1.0
83.08131	0.8
83.08610	14.4
84.08138	6.3
85.06528	1.4
85.10172	4.2
86.06052	4.9
87.06836	1.9
88.07617	0.9
93.07018	2.4
94.06532	0.7
95.04967	0.8
95.06114	0.6
95.08595	17.9
96.08143	0.7
96.08890	0.5
96.77744	0.4
97.06516	1.2
97.10155	9.7
98.06026	1.2
98.07125	0.6
98.09654	2.7
99.08054	0.6
100.07663	0.6
105.07023	0.7
107.08573	1.8
108.08134	0.7
109.06497	1.1
109.09454	0.6
109.10152	9.2
111.08039	0.7
111.11710	4.1
112.07543	0.9
112.11227	0.9
119.08561	1.2
121.10138	1.0
122.09682	0.8
123.08099	0.9
123.11688	5.9
125.13245	1.3
126.09157	0.9
133.10072	0.5
135.11710	0.7
137.12241	0.5
137.13239	1.7
147.11618	0.5
149.13231	0.7
151.14795	0.9
183.55588	0.5
198.21989	0.5
208.22864	0.6
226.18910	0.5
268.30014	3.4
268.97476	0.6
282.31479	0.7
282.98077	0.7
294.31506	4.0
306.31479	3.5
307.29962	1.8
308.33109	4.4
312.32690	1.4
318.31519	1.4
324.32498	1.2
326.34088	5.5
336.32556	13.6
337.30606	0.6
354.33615	100.0
355.33923	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	355.1019
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
56.96515	0.4
58.86987	0.3
59.98459	0.3
61.46296	0.3
70.66848	1.3
79.05466	1.2
89.03910	6.0
91.05769	0.9
95.04958	0.7
96.40092	0.3
107.04942	2.8
110.05984	0.8
117.03356	7.4
126.05485	0.7
135.04405	16.2
136.04707	0.7
136.07565	2.9
145.02820	12.8
147.04405	0.5
150.05458	0.4
163.03886	100.0
164.04242	1.8
164.07025	5.7
182.08104	5.5
237.02789	0.9
355.07016	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75726	0.3
67.05480	0.4
69.07079	0.3
71.04969	0.5
71.61115	0.5
73.98576	0.3
75.46802	0.2
79.05479	0.4
81.07034	0.3
84.08110	0.3
85.02888	0.4
85.20945	0.3
91.05802	0.6
95.04932	0.3
95.41523	0.2
97.06560	0.3
100.11225	0.3
105.07014	0.4
107.04966	0.3
107.08583	0.5
122.41689	0.3
140.07118	0.4
156.43304	0.3
174.18779	0.3
182.15411	0.8
201.03595	0.4
203.05264	0.5
210.14900	0.7
286.09058	0.3
303.05051	0.4
355.17212	100.0
356.17566	2.8
358.20346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.82081	0.3
52.14782	0.3
53.03952	0.3
55.05495	0.6
56.96536	0.4
57.44793	0.3
62.81972	0.3
67.05489	0.9
67.08382	0.2
69.03418	0.7
69.07041	0.7
70.06590	0.6
71.04980	0.6
71.63914	0.6
72.08154	0.5
73.04730	0.3
79.05463	0.6
81.03420	0.5
81.07043	1.1
83.04963	0.3
85.02901	0.9
85.06549	0.4
86.09693	0.4
91.05779	1.4
93.07036	1.2
93.09949	0.3
95.04977	0.7
95.08611	0.5
97.02876	0.3
97.06536	0.7
102.68429	0.3
103.05482	0.4
105.07033	1.1
107.04964	0.5
107.08568	0.9
109.02887	0.3
109.10168	0.7
116.93419	0.3
117.09064	0.3
119.08587	0.6
121.06530	0.5
121.10143	0.6
123.04404	0.4
123.31887	0.3
125.09683	0.3
127.03878	0.3
131.04921	0.5
131.08607	0.4
133.10089	0.5
135.08011	0.5
135.11728	0.4
136.07605	0.4
137.05975	1.0
137.09579	0.4
143.08566	0.3
145.10086	0.6
145.80644	0.3
147.04396	0.6
147.11707	0.6
149.09563	0.3
151.07573	0.4
157.10095	0.4
158.12695	0.4
159.08029	0.4
159.11731	0.4
161.05951	0.9
163.03935	0.9
167.07031	0.5
175.07538	0.7
175.11171	0.5
187.07484	0.4
201.03622	0.4
201.05385	0.5
203.05222	1.0
210.14748	0.4
215.14365	0.5
219.03009	0.7
219.08104	0.4
234.06850	0.4
237.08911	0.3
249.09290	0.3
261.09094	0.4
263.07037	0.4
268.97913	0.3
271.11414	0.4
277.08633	0.4
295.09592	0.5
311.12799	0.5
323.09015	0.9
355.17252	100.0
356.12451	0.3
356.13251	0.3
356.17682	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	355.2626
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
50.03816	0.8
51.02412	0.7
55.05510	10.7
57.07056	2.4
65.03929	0.9
67.05216	0.9
67.05500	10.9
69.07063	21.4
71.08598	0.9
71.63348	1.1
71.63729	1.1
78.88436	0.8
79.05493	4.8
80.97549	0.9
81.07044	12.2
83.04978	1.6
83.08604	6.1
91.05405	5.7
93.07042	10.6
95.04962	1.1
95.08595	44.4
97.06470	1.1
97.10140	3.4
104.12551	0.9
105.03379	1.6
105.07011	10.8
107.08590	15.8
109.06478	1.5
109.10146	33.0
111.11720	12.3
112.84155	0.9
117.06974	4.6
119.07767	1.6
119.08569	21.1
120.08882	0.9
121.10122	10.1
123.08086	1.2
123.11687	4.5
125.09560	0.9
128.06200	2.8
129.06976	11.3
131.08560	17.9
132.08891	0.9
133.10117	13.4
135.08035	0.9
135.11685	4.7
135.16408	0.8
136.52734	0.8
141.06987	3.0
141.09398	0.9
142.07779	1.9
143.08543	40.9
144.08847	1.4
145.10114	16.1
146.10600	1.0
147.11664	4.4
149.13210	2.5
155.08569	6.9
156.09245	1.3
157.10112	15.8
159.11684	9.0
161.13235	6.6
163.07497	1.5
163.14813	2.0
168.09213	0.8
169.10085	10.8
170.10881	1.6
171.11681	26.6
173.13237	16.7
175.07443	2.0
175.14821	1.9
177.09091	2.4
182.10936	0.9
183.11688	8.3
184.12355	2.0
185.13292	6.7
187.14810	10.3
189.09076	2.4
189.16360	3.9
195.11583	0.9
197.13248	7.5
198.13968	1.2
199.11099	1.8
199.14825	12.1
201.16370	10.2
203.10600	1.0
203.17960	2.1
210.13977	1.1
211.14796	4.7
213.16364	98.1
214.16724	6.5
215.17950	12.8
217.12271	1.9
217.15852	1.8
225.16380	11.8
226.16798	0.9
227.17909	6.9
231.17429	35.5
239.17905	27.2
240.18311	2.8
241.19519	2.5
243.17349	4.7
245.15372	11.3
247.16971	2.0
253.19522	7.9
255.21118	1.1
257.11139	1.4
257.15384	1.7
257.18768	0.9
259.16925	31.4
259.77658	0.8
260.17249	2.0
261.18588	8.3
267.21118	14.1
271.16898	5.2
271.20624	1.3
273.18546	2.9
281.22586	4.0
285.18488	12.3
299.20074	3.9
309.25729	60.7
310.26001	5.6
311.27325	1.5
327.26801	5.8
328.27029	1.0
333.18878	1.1
337.25262	3.4
355.19183	15.5
355.26276	100.0
356.18930	1.7
356.26602	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	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01851	2.3
55.05259	1.9
55.05506	28.9
57.03429	9.4
57.07068	11.0
59.21772	1.1
65.03930	1.1
67.05495	74.7
69.07058	36.1
69.94230	6.5
71.04974	4.0
71.08616	4.1
75.04454	1.6
77.26508	1.1
79.05480	22.3
81.07045	100.0
81.38703	1.0
82.07367	2.4
83.04957	3.6
83.08603	27.2
85.06532	3.2
85.10151	2.7
91.05464	16.6
93.07034	24.8
95.04933	2.5
95.08592	81.5
97.06528	9.3
97.10153	17.7
98.21156	3.4
99.08075	3.7
103.03975	1.3
105.07021	11.6
107.08578	19.6
109.06452	1.2
109.10143	44.7
111.08055	4.4
111.11711	6.8
111.81704	1.1
113.09611	2.1
119.07779	1.6
119.08564	15.7
121.10128	26.9
123.08028	1.7
123.11690	23.4
125.09610	2.3
125.13208	2.7
129.05418	2.8
131.08551	1.8
133.10107	19.3
135.11676	14.4
137.09578	2.7
137.13228	7.9
141.12732	3.4
145.10249	1.3
147.11668	14.8
149.13243	14.0
151.11165	2.5
151.14836	7.1
155.14330	1.5
159.11743	1.2
161.13229	16.3
163.14806	13.1
165.12679	2.5
165.16341	7.4
167.14311	1.8
175.14799	12.1
177.16368	2.7
179.14259	2.2
179.17842	5.3
181.15862	1.8
185.36406	1.1
189.16406	6.3
203.17926	2.6
217.19493	1.4
245.22612	53.9
246.22964	2.5
263.23666	58.2
264.24103	1.2
265.25272	2.5
266.86823	1.4
281.24765	2.6
337.27322	35.7
338.27676	2.8
355.28500	15.5
356.28607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2836
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03936	3.1
55.01858	1.5
55.05505	56.7
56.81631	1.2
56.96561	9.7
57.03177	1.8
57.03432	23.3
57.07067	10.8
65.03917	1.7
67.05495	67.9
69.07059	74.5
70.07412	1.4
71.05006	5.3
71.08617	4.3
71.95231	1.4
75.04477	1.9
79.05483	20.9
81.07047	88.9
83.04990	1.9
83.08611	48.1
83.96702	1.1
85.06522	4.0
85.10191	2.0
86.49256	1.0
91.05460	13.6
93.07030	27.4
94.07362	1.1
95.04961	1.7
95.08594	74.4
96.08926	1.8
97.06531	7.1
97.10151	30.9
98.20982	7.3
99.08060	2.5
105.07008	11.2
106.54894	1.3
107.08575	16.1
108.66991	1.0
109.06497	2.0
109.10138	34.6
110.97514	1.5
111.08067	5.9
111.11710	9.0
119.08556	11.2
121.10133	20.8
123.08065	1.9
123.11713	13.5
125.09616	4.7
125.13224	1.7
128.98595	4.5
129.87259	1.4
130.71902	1.0
131.08543	1.4
133.10124	10.2
134.77061	1.1
135.11685	12.0
137.09630	1.9
137.13197	5.5
139.11137	1.8
141.12721	1.5
146.99657	4.3
147.11687	7.6
149.13232	9.6
151.11200	2.8
151.14810	3.3
153.12746	1.8
155.10666	1.4
157.10103	1.4
159.11732	1.2
161.01233	1.4
161.13181	6.9
163.14804	9.5
165.00612	2.0
165.12695	1.5
165.16478	1.8
167.14319	1.3
171.11699	1.5
175.14778	5.7
179.14232	2.0
179.18066	1.3
181.15996	1.3
189.04250	1.3
189.16408	4.2
206.55429	1.1
206.78226	1.1
207.17471	1.9
245.22664	14.0
263.09760	1.4
263.23682	20.2
281.24704	3.4
315.16263	12.3
333.17294	32.6
337.27386	20.5
351.18384	11.7
355.28448	100.0
355.33603	4.3
356.19031	6.6
356.28662	2.4
374.19977	1.9
376.66974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.81637	2.0
52.36110	2.0
55.01874	3.8
55.05505	32.2
55.94004	2.2
55.94312	2.0
57.03426	9.0
57.07066	17.5
57.88415	2.1
65.51432	2.2
65.84715	2.9
67.05499	87.3
69.03426	2.4
69.06715	3.2
69.07061	47.6
70.06564	5.0
70.64480	2.2
71.08615	10.0
71.62045	3.7
79.05482	31.1
81.07048	100.0
83.04974	4.4
83.08615	36.8
85.06526	5.5
88.07625	7.0
91.05411	18.2
93.07037	34.9
95.04958	4.5
95.08595	95.6
97.06504	8.6
97.10152	16.9
99.08091	4.1
103.03933	3.0
105.07025	18.6
106.08662	2.8
107.08578	24.6
109.06480	3.2
109.10140	48.9
111.08061	5.0
111.11694	5.8
113.09618	3.9
119.08573	22.1
121.10131	31.4
123.08050	2.4
123.11687	25.5
125.09587	3.3
133.10104	21.9
135.11720	17.6
137.09593	4.7
137.13303	11.1
141.12726	3.8
145.10117	2.6
147.11676	14.2
149.09576	7.5
149.13260	17.0
151.14780	7.1
155.06363	2.3
155.14297	2.5
159.11652	5.0
161.13239	22.6
163.14799	13.7
165.16385	9.8
175.14760	14.7
177.16325	2.4
179.14291	2.8
179.17894	5.4
181.15695	2.4
189.16354	5.8
240.81706	2.3
245.22646	60.5
246.22888	2.1
247.08514	2.4
263.23688	75.2
264.24042	3.7
265.25143	3.6
332.73071	2.5
337.27332	46.2
355.28107	9.8
355.33704	5.2
356.35214	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28516	0.6
53.03936	1.2
55.01862	0.9
55.05508	46.7
57.03432	17.8
57.07069	8.1
59.04980	0.8
65.03937	1.7
66.56004	0.8
67.05499	53.0
68.05833	1.2
69.03403	0.7
69.07063	57.5
69.83558	2.8
69.83981	1.1
71.05002	4.1
71.08615	2.8
73.06543	0.7
75.04443	0.8
79.05049	1.2
79.05487	17.8
81.07050	62.9
82.07394	1.1
83.04962	1.9
83.08613	36.5
85.06550	3.2
85.10182	0.9
91.05466	9.2
93.07034	17.4
93.12515	0.8
95.04952	1.9
95.08597	53.5
96.08926	0.9
97.06519	5.8
97.10162	23.1
99.08083	1.9
101.05992	0.9
105.07014	8.1
107.08584	11.9
109.06542	1.1
109.10145	22.1
111.08111	4.1
111.11712	8.7
113.05999	0.6
113.09657	0.7
115.07504	0.7
119.08581	6.5
121.10125	13.7
123.08071	2.0
123.11701	9.5
125.09619	3.2
125.13258	1.6
127.11166	1.0
133.10112	6.5
135.11668	9.5
137.09598	1.8
137.13264	2.8
139.11163	2.2
145.47945	0.7
147.11684	5.2
149.13274	6.6
151.11185	1.6
151.14819	1.4
153.12746	1.5
161.13239	5.1
163.14796	5.6
165.12791	1.3
167.14290	1.3
175.14777	3.1
177.16370	0.9
179.14281	1.3
179.17958	1.1
180.65933	0.6
181.15887	1.2
189.16367	1.5
193.15836	1.5
199.63632	0.6
203.17931	0.9
207.17397	1.4
215.82762	0.7
245.22601	4.6
263.23727	8.2
281.24722	2.5
328.81647	0.6
337.27301	11.3
337.31091	1.1
355.28409	100.0
356.28775	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	357.263
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03952	1.4
55.05504	37.6
57.07050	1.3
66.22093	1.1
67.05494	8.6
69.03408	2.6
69.07057	17.9
69.43219	11.5
71.04979	1.4
72.10857	1.0
79.05489	4.3
81.03406	2.2
81.07047	28.5
83.04964	1.2
83.08614	4.8
85.02891	1.4
85.06532	3.8
91.05464	1.9
93.07034	8.5
95.04971	1.8
95.07975	1.5
95.08596	37.9
97.06519	2.8
97.10157	100.0
98.10493	2.7
98.20732	1.5
99.08127	2.4
101.05996	2.2
105.07047	5.5
107.08588	7.4
109.06508	3.3
109.10134	12.9
109.47784	1.1
110.82706	1.2
111.08098	2.1
111.11716	4.1
115.05401	1.2
115.91813	1.1
119.04944	2.3
119.08578	4.9
121.06517	1.1
121.10143	7.0
123.04395	6.2
123.11690	8.2
125.09601	17.6
131.08636	1.6
133.06520	1.3
133.10092	2.6
135.04410	1.1
135.11658	3.1
137.05951	6.8
137.13258	1.6
137.76038	1.1
139.11169	5.0
143.04974	1.4
143.10655	37.8
145.10106	1.3
147.04379	4.3
147.11691	2.9
149.05962	1.1
149.13240	3.7
151.07533	1.5
151.11119	1.1
151.14746	5.4
157.12234	2.7
159.11700	3.2
161.05972	2.3
161.13232	1.6
163.07443	2.6
165.05426	2.4
165.12766	4.3
171.10159	3.9
173.13251	1.4
177.05536	1.2
177.84506	1.1
184.22580	1.1
187.07391	1.6
189.11182	13.7
203.10738	1.4
203.12691	1.3
205.08594	9.7
219.08148	2.2
249.22035	1.2
277.21786	3.1
285.10159	1.7
287.10309	1.2
295.22583	2.1
303.23105	8.2
307.09586	1.9
309.24146	3.1
313.10452	1.3
321.24197	25.5
321.27975	1.6
325.10660	1.6
339.11942	2.1
339.25308	17.1
357.13153	9.1
358.13531	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2631
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.01862	1.4
55.05504	40.4
56.93250	1.1
57.03428	1.5
57.07059	1.4
61.41752	1.4
67.05489	4.5
69.03423	1.5
69.07064	13.0
69.91441	6.0
75.98983	1.0
79.05473	3.8
81.03421	1.8
81.07043	23.7
83.08611	4.6
85.02905	1.6
85.06522	2.6
87.08132	1.3
91.05453	1.9
93.07030	7.9
95.04951	2.0
95.08599	40.2
96.87970	1.2
97.02843	1.8
97.06535	2.1
97.10161	100.0
98.10505	2.1
98.97562	1.3
99.08066	2.7
101.06029	2.1
103.05434	1.1
103.07530	1.1
105.07021	6.8
107.04893	1.7
107.08553	7.2
109.06522	1.9
109.10146	11.8
111.08060	2.1
111.11694	2.4
119.08588	5.6
121.06445	1.6
121.10142	6.6
123.04406	5.4
123.11682	9.1
125.09613	21.1
131.08542	1.8
133.10132	3.4
135.11700	4.4
137.05945	9.4
137.09604	2.3
137.13237	1.8
139.11163	6.5
143.10658	46.9
145.10155	1.9
147.04388	4.2
147.11644	4.1
149.05974	1.5
149.13222	4.6
151.03841	1.6
151.14801	4.9
157.12198	2.6
161.06000	1.9
161.13197	2.5
163.03851	1.5
163.07539	2.5
163.14783	1.3
163.42191	1.3
165.05449	3.0
165.12703	3.0
167.06964	2.7
168.56458	1.1
171.10158	4.6
173.13258	2.2
177.05359	2.3
177.16316	1.4
183.13754	1.8
187.07640	1.3
189.11224	14.7
189.36911	1.1
205.08611	7.2
249.09018	1.4
275.23441	1.6
277.21725	1.5
285.10245	2.4
285.22003	1.4
291.23163	1.9
295.22711	1.8
303.23035	6.8
309.24237	2.8
311.12576	1.3
321.24207	22.7
325.10654	2.3
339.25330	20.8
357.13080	11.2
358.13715	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.5
55.01856	6.9
56.05024	7.7
56.96576	3.5
60.04501	7.3
61.02939	4.4
65.03928	3.1
70.06574	5.6
70.84420	4.7
70.84736	4.4
71.01344	2.7
73.02906	6.3
79.05476	5.1
84.04502	20.9
89.03914	7.2
91.03951	3.5
91.05856	2.8
93.07053	3.5
100.03996	4.2
101.02372	6.5
103.05447	8.0
105.07040	5.3
107.04932	12.1
109.69754	2.5
115.05479	4.1
117.03387	9.5
119.03387	9.4
120.08101	5.8
121.06492	6.9
123.04419	100.0
124.04750	3.2
127.21011	2.7
130.06500	4.4
131.04919	12.4
133.02818	12.5
133.06429	3.8
134.05962	4.4
135.04405	21.6
136.07556	6.5
137.05978	6.4
139.03839	5.7
145.02855	6.8
147.04416	8.1
148.07550	10.2
149.02325	4.7
149.05933	14.6
150.05499	8.2
151.03886	10.4
152.07007	3.4
158.05968	12.0
159.04419	8.2
160.07603	3.6
161.02324	6.8
161.05966	5.7
162.05414	5.4
163.03891	69.5
164.07048	10.1
165.07854	29.3
166.04955	3.2
166.08640	12.7
176.07060	45.2
177.05440	17.5
178.04955	7.6
178.08601	7.0
179.03374	27.6
180.06564	6.2
186.05458	9.3
187.03922	7.4
194.08125	21.9
202.06946	4.3
204.06532	68.5
205.05013	13.3
205.06664	3.4
220.08188	4.7
222.07637	31.9
223.06152	5.2
240.08725	4.1
297.05911	13.5
340.10251	41.1
341.08743	9.5
358.06982	3.4
358.11353	60.8
359.12851	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	358.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.0
55.05507	32.9
57.03415	4.3
61.09005	3.9
67.05486	18.0
69.03415	8.9
69.07052	9.9
71.04989	8.5
71.62425	7.9
72.10693	4.5
79.05473	13.5
80.02177	3.5
81.07056	38.8
83.04972	8.3
83.08600	15.3
91.05446	10.1
93.07028	11.8
95.04964	6.9
95.08601	11.2
97.10146	41.7
105.06991	12.1
106.62579	3.9
107.08551	16.1
109.06519	4.9
109.10146	7.5
111.04405	25.9
111.08086	5.0
117.07024	5.8
119.08550	13.1
121.06521	6.2
121.10110	12.1
123.08044	18.2
125.09615	28.7
131.08511	6.3
133.10100	4.9
135.31052	4.3
137.09589	26.0
143.08485	5.4
145.10132	8.0
147.11603	4.4
149.09505	6.8
153.09128	5.2
153.12646	6.0
163.11119	7.1
171.10150	4.2
171.11641	4.9
181.12260	5.8
189.11191	26.7
223.13248	4.1
227.12669	4.6
239.04381	3.9
267.09009	4.4
273.18393	17.4
291.16455	8.3
291.19489	100.0
305.92560	4.4
309.20557	10.4
323.22073	11.8
362.11221	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	359.1485
Annotation	Leptolide
Peak:m/z	Relative Intensity
53.52704	0.6
55.01865	1.6
55.05486	1.5
65.03931	5.0
65.67353	0.6
67.05488	1.4
69.03398	1.3
69.07059	1.0
71.04980	0.8
71.06800	2.1
74.50491	0.6
79.05485	2.2
81.03363	1.0
81.07047	1.9
82.04218	0.9
83.04945	0.7
85.02898	4.2
91.05469	3.7
93.03406	1.1
93.07043	1.1
95.04957	2.4
95.08592	1.7
97.06502	0.7
99.04417	0.8
103.05479	1.9
105.07001	1.6
107.04936	3.8
107.08587	1.0
109.02856	1.6
109.06518	0.7
109.10122	0.8
110.03642	3.2
111.04462	2.0
112.34766	0.7
115.05474	1.0
117.07061	0.8
119.04945	0.9
119.08527	1.3
119.88718	0.7
121.02856	5.7
121.06474	1.3
121.10072	1.4
123.04418	1.1
123.11763	1.1
125.05995	4.2
131.04916	3.5
133.06464	1.1
133.10162	1.0
135.04370	0.7
135.08054	2.6
137.05969	4.4
141.07005	0.7
144.05716	1.2
145.06458	1.7
145.10104	1.0
146.60130	0.7
147.04417	1.0
147.08037	0.9
149.02299	1.8
149.09555	0.7
151.03876	2.2
151.07559	1.0
151.11159	0.7
152.06133	1.2
153.01813	1.5
153.05443	4.3
153.06628	0.6
159.08113	3.3
160.05045	0.8
161.05957	2.3
161.09598	2.8
162.06735	0.8
163.07547	1.2
165.06937	3.4
166.07727	1.3
167.07018	5.4
167.08562	3.2
169.06461	1.3
171.06505	1.8
171.07892	0.9
173.05910	1.1
175.07568	2.5
177.06979	1.1
177.08983	1.1
178.07771	3.6
179.07045	0.9
179.08511	1.9
181.04970	17.6
181.06454	2.7
182.07300	2.4
183.08031	2.0
187.07501	1.5
191.08549	1.9
193.06465	1.3
193.10107	0.8
194.07298	2.2
195.08009	6.4
196.08803	1.2
197.05971	2.5
197.09622	2.1
197.11699	4.3
199.07481	1.3
202.07802	1.1
203.08551	1.0
205.06464	2.0
205.08398	1.1
206.07243	1.7
207.08060	2.6
208.08731	0.9
209.05959	1.8
209.09621	2.3
210.06671	3.6
210.10353	1.5
211.07443	5.0
212.08353	3.9
213.09096	1.4
219.08052	1.7
220.08859	1.8
221.05975	1.3
221.09566	6.5
222.06714	3.0
222.10339	2.2
223.07536	7.2
224.08272	4.2
225.05470	1.7
225.09024	4.8
225.12718	0.9
226.06223	0.8
227.07027	4.9
227.10681	1.7
229.08542	1.2
234.06671	1.8
235.07538	3.0
235.11327	0.9
237.05402	1.0
237.09055	8.5
238.06288	3.1
238.09837	6.9
239.07040	3.8
239.10684	1.7
240.07794	10.1
241.08560	2.2
242.05775	1.3
248.08237	1.0
249.09085	6.3
250.09935	2.3
251.07040	5.3
251.10583	1.9
252.07785	5.3
253.08577	17.5
253.12204	5.8
254.09262	2.7
255.06441	5.9
255.10136	6.5
256.10825	1.2
257.08063	6.7
264.07660	1.1
265.08600	6.3
266.06009	0.7
266.09317	4.5
267.06561	2.1
267.10120	5.8
268.07315	4.0
269.08096	9.7
270.08813	3.3
271.09729	1.1
277.08472	1.4
279.06641	0.9
279.09924	0.8
280.07532	1.2
280.10919	1.7
281.08078	5.9
281.11722	8.2
282.08850	1.0
282.12341	1.3
283.06064	2.9
283.09637	12.5
284.10443	3.2
285.07614	3.2
285.10989	0.9
294.08865	1.0
295.09723	3.1
297.07593	4.6
297.11176	3.2
298.08337	6.8
298.11752	1.6
299.09473	1.3
299.12744	4.7
300.09882	15.4
309.11160	5.7
310.11868	1.5
311.08987	1.9
313.10666	63.3
313.14331	46.7
314.11240	1.4
315.50613	0.9
323.12820	1.0
326.11270	4.7
327.12241	25.7
328.12811	2.6
331.15353	17.5
341.13806	40.4
341.22107	1.3
342.14288	1.2
350.22696	1.9
359.14850	100.0
359.23218	6.8
359.73315	1.7
360.15173	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.01867	0.6
55.05493	1.9
56.71402	0.7
56.96553	0.8
62.88266	0.6
65.03922	3.8
67.05494	1.8
68.99779	0.7
69.03414	0.9
69.07049	0.9
79.05465	2.8
80.03716	0.6
81.07024	2.0
82.04189	1.1
83.79946	0.6
85.02887	2.4
91.05485	2.2
93.07026	1.9
95.04980	1.6
95.08614	1.5
97.02895	1.1
97.06485	1.1
105.07035	2.4
107.04946	3.0
107.08606	1.4
109.02829	0.8
109.10182	0.7
110.03654	2.7
111.04443	3.1
115.05374	0.9
117.07053	1.2
119.08536	1.4
121.02892	4.8
121.06490	1.5
121.10121	1.5
123.04398	1.3
125.05981	3.7
128.06210	0.9
129.06990	2.3
131.04916	1.0
131.08562	1.2
133.10144	1.7
135.08032	3.5
137.05963	2.3
144.05669	1.9
145.06447	1.0
147.04463	0.9
147.08005	1.3
149.02333	1.8
151.03889	1.7
151.07472	0.8
151.67525	0.8
152.06183	1.0
153.01790	1.4
153.05424	3.2
153.06892	1.6
157.10123	1.0
159.08049	5.4
161.06004	2.3
161.09578	3.1
161.13234	0.9
162.06717	1.4
164.04977	0.6
165.06915	3.3
166.07742	1.1
167.07033	5.8
167.08566	2.8
169.06464	1.7
171.06502	2.3
173.05974	1.8
173.13312	0.9
175.07527	2.3
177.05417	1.0
177.06993	1.1
178.07755	3.0
179.07043	1.1
179.08519	1.9
181.04941	20.9
181.06474	5.1
182.07253	2.2
183.08022	2.5
184.05168	0.8
187.07440	1.1
189.06943	0.9
189.09090	0.7
190.07782	1.2
191.08600	1.8
193.06509	1.0
193.10114	1.9
194.07297	3.0
195.08006	8.1
196.08804	1.6
197.06001	3.4
197.07735	0.7
197.09595	1.7
197.11618	0.7
198.06709	1.0
199.07460	0.9
202.07712	0.9
203.08643	1.2
205.06580	1.7
206.07254	2.8
207.08025	2.9
208.05141	0.7
209.05992	2.5
209.09613	3.1
210.06776	4.5
210.10332	1.4
211.07539	5.8
212.08287	3.3
213.09094	1.2
219.02896	1.1
219.08064	1.9
220.08853	1.7
221.05975	1.6
221.09567	8.7
222.06754	3.0
222.10330	1.9
223.07507	10.1
223.11044	1.4
224.08281	4.6
225.05379	1.4
225.09044	4.9
225.12804	0.7
226.06187	1.1
227.07047	4.9
227.10657	2.2
228.13840	1.0
229.08543	1.0
234.06644	2.3
235.07487	3.0
236.08168	0.8
237.05377	1.3
237.09088	7.6
238.06332	3.2
238.09840	7.7
239.07027	5.3
239.10712	2.3
240.07782	10.4
241.08511	3.4
242.05980	1.2
248.08405	0.9
249.09085	6.5
250.06110	0.8
250.09871	1.7
251.07016	6.7
251.10637	2.1
252.07758	6.3
253.04863	0.8
253.05676	1.0
253.08580	18.0
253.12248	6.5
254.09337	2.9
255.06511	5.7
255.10159	6.0
256.07309	1.3
257.08041	6.6
263.07077	1.3
265.08554	5.3
266.09274	5.3
267.06683	1.8
267.10153	5.4
268.07358	3.7
268.10712	0.6
269.08057	10.8
270.08780	2.9
272.10382	1.3
277.08478	1.9
279.06430	1.0
280.11014	0.9
281.08087	6.3
281.11691	6.6
282.08957	0.8
283.06094	2.9
283.09622	13.2
284.10257	3.6
285.04074	1.2
285.07544	3.5
285.11215	1.9
295.09610	3.4
297.07565	6.0
297.11105	1.8
298.08356	8.4
298.11975	3.2
299.09534	1.2
299.12732	6.7
300.09903	15.2
309.11148	6.0
310.11908	1.8
311.09210	1.9
313.03323	3.2
313.10666	74.2
313.14325	46.5
314.10995	2.0
314.14563	0.8
325.10403	1.8
326.11542	4.3
327.08359	1.4
327.12241	26.4
327.49060	0.8
328.12830	1.7
331.11441	1.0
331.15393	15.4
332.21722	1.4
341.13803	38.3
341.22064	1.9
341.72528	1.1
350.22583	3.7
350.72711	1.4
359.04153	9.1
359.14850	100.0
359.23004	16.9
359.73422	5.3
360.04266	1.0
360.15280	1.8
366.76663	0.7
377.01630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Leptolide
Peak:m/z	Relative Intensity
57.01580	0.9
61.12073	0.8
65.03925	3.8
67.05472	2.8
69.03402	1.4
69.07058	1.6
69.60693	2.5
69.61115	3.5
71.01331	1.0
74.76415	0.7
79.05480	2.7
81.03397	1.5
81.07043	3.2
83.05000	1.0
85.02871	2.9
85.06481	1.2
86.09691	1.7
91.05450	4.3
93.03311	0.9
93.07034	2.3
95.04967	1.9
95.08594	2.5
97.02872	1.0
97.06503	1.5
103.05444	2.4
105.07009	3.1
107.04956	5.0
107.08580	1.4
108.02097	0.9
109.02824	1.6
109.06496	0.9
109.10133	2.2
110.03632	3.0
111.04425	3.4
111.13227	0.8
117.06974	1.0
119.04939	1.0
119.08562	1.1
121.02849	5.1
121.06476	2.0
121.10130	1.9
123.04379	1.2
123.11749	1.0
125.05976	2.7
129.06964	1.1
131.04878	1.6
131.08568	1.5
133.06531	1.3
133.10135	1.7
135.08009	2.6
135.11694	1.3
137.05968	6.7
139.11148	1.1
144.05659	2.9
144.08545	0.9
147.04417	1.3
147.08006	1.3
147.11652	0.9
149.02393	1.8
149.05931	1.2
149.13257	1.1
151.03886	2.0
151.07527	1.5
152.06126	1.3
153.05415	4.5
153.06883	1.5
154.49275	0.9
159.07997	4.5
160.05267	1.0
161.05966	2.6
161.09615	2.0
162.06624	1.1
163.07521	1.7
165.06975	2.6
167.07042	5.5
167.08415	1.9
169.06377	1.3
171.06450	1.4
173.05930	1.5
175.07513	2.8
178.07808	2.9
179.07025	1.1
179.08485	1.9
181.04950	17.9
181.06439	3.3
181.08377	0.9
182.07217	2.0
183.08015	2.3
187.07533	2.4
190.07826	0.9
191.06926	1.5
191.08495	0.9
193.06442	1.7
193.10162	1.3
194.07277	2.8
195.07991	6.2
197.05960	1.5
197.09604	2.0
197.11421	0.9
198.06750	1.1
203.08627	1.5
205.06569	1.8
205.08508	1.0
206.07297	3.2
207.08047	3.2
207.09895	1.0
209.06029	1.7
209.09613	2.6
210.06702	3.3
211.07446	5.2
212.08304	2.9
213.09081	1.6
219.08089	1.7
221.06122	1.2
221.09593	7.4
222.06758	2.4
222.10323	2.1
223.07492	7.7
224.08269	3.5
225.05600	1.4
225.09030	4.0
226.06125	1.6
226.09930	1.6
227.07126	4.0
227.10670	2.6
231.08185	1.2
234.06699	1.5
235.07468	2.8
237.05501	2.0
237.09091	6.1
238.06209	3.4
238.09825	6.4
239.06978	4.1
239.10631	1.5
240.07799	8.7
241.08490	1.8
242.05597	1.7
248.08446	1.4
249.09094	5.9
250.09872	1.4
251.06990	4.8
251.10599	1.4
252.07857	4.2
253.08554	15.3
253.12210	5.5
254.09201	2.2
255.06461	4.3
255.10141	5.3
257.08054	6.3
265.08511	5.2
266.09293	3.7
267.06479	1.5
267.10178	6.1
268.07285	3.6
269.08054	9.2
270.08798	2.6
280.07245	1.1
280.10767	1.3
281.08099	6.5
281.11694	8.9
282.08722	1.8
282.12177	1.0
283.05981	3.5
283.09619	11.7
284.10400	2.2
285.07562	2.6
285.11047	1.3
285.14670	1.0
294.08734	1.0
295.09619	3.1
297.07574	5.4
297.10956	1.8
298.08298	7.6
298.11740	1.9
299.09366	1.4
299.12717	6.5
300.09888	13.0
300.13135	1.6
309.11044	5.8
310.11957	1.6
311.09045	1.8
313.10663	59.6
313.14319	40.0
314.10910	1.5
326.11475	5.4
327.08368	1.4
327.12213	25.5
328.12802	1.5
331.11627	0.7
331.15375	13.5
341.10474	1.4
341.13791	36.4
359.04007	3.0
359.14859	100.0
360.15216	2.3
377.01483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01851	1.2
55.05505	0.9
57.03413	2.2
61.02917	3.7
67.05483	1.5
69.03414	6.8
70.48798	0.6
71.07684	1.1
71.08033	1.6
73.02888	1.1
79.03712	0.7
79.05457	1.2
81.03385	3.0
81.07024	1.6
85.02893	29.6
86.09688	1.0
87.04423	0.9
91.05463	2.8
93.07024	7.6
95.04964	2.0
97.02869	6.1
99.04411	1.4
105.07003	6.6
107.08577	19.7
109.02880	3.5
109.06499	1.7
109.10149	1.2
119.08543	2.4
121.06457	2.3
123.04430	1.0
123.11655	1.0
127.03934	5.1
127.04754	0.8
133.09102	1.1
133.10114	21.4
135.11662	22.7
137.05914	1.6
137.09575	1.7
145.04922	3.3
151.11157	1.8
161.09578	11.9
179.10640	38.7
180.10985	1.4
191.07005	0.8
197.11707	100.0
198.12074	2.6
208.09647	1.1
256.41928	0.8
355.49838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17163	0.4
55.01877	1.0
55.05505	1.0
57.03418	0.9
61.02923	2.1
62.27095	0.4
67.05489	1.1
69.03416	3.7
69.07048	0.7
70.06582	1.0
71.04980	0.8
71.63640	0.9
72.08146	0.6
73.02908	1.0
79.05504	2.1
79.75866	0.5
81.03394	1.2
81.07059	2.6
83.04977	0.5
83.08609	0.4
84.08153	0.8
85.02419	0.5
85.02901	9.6
86.09700	5.8
87.04414	0.5
87.05556	0.5
91.05449	2.9
93.07047	5.2
95.04973	1.0
95.08578	1.5
97.02870	2.9
97.06514	0.7
99.04457	0.7
105.07021	6.6
107.04932	0.6
107.08586	29.8
108.08900	0.6
109.02871	0.9
109.06489	1.3
109.10157	2.1
111.04443	0.5
115.05511	0.5
117.07003	0.6
119.04921	0.5
119.08555	4.4
121.06509	1.1
121.10136	5.2
123.08055	1.0
123.11708	1.1
127.03899	2.4
131.04875	0.8
131.08540	0.8
133.06488	0.7
133.10118	16.2
134.10416	0.9
135.08020	0.6
135.11635	1.2
137.05992	2.7
137.09618	1.6
139.07532	1.6
143.08530	0.7
145.04941	1.8
149.05972	0.9
149.09602	4.0
151.03946	0.7
151.07527	1.3
151.11159	6.8
153.01802	2.9
153.05374	0.7
158.13737	0.5
161.05934	1.0
161.09599	5.0
163.07515	0.8
167.07062	0.7
167.10663	11.5
168.11047	0.6
171.94557	0.4
173.52748	0.4
179.10663	15.1
179.14177	0.7
181.04979	0.6
181.08620	0.4
187.07463	0.4
191.07002	0.7
195.07994	0.4
197.11717	100.0
198.12018	2.4
200.13927	1.6
219.10164	0.5
224.59937	0.5
228.13425	0.9
240.48940	0.5
281.07892	0.6
313.10660	1.8
313.14111	0.7
341.13959	0.6
341.66672	0.6
359.14789	5.0
360.05356	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03428	2.2
59.04994	1.2
61.02896	3.4
63.19907	1.0
69.03421	7.5
69.43561	1.0
70.06585	1.5
71.04962	1.6
71.36521	2.0
73.02869	1.0
78.56532	0.8
79.05486	2.2
81.03387	2.7
85.02896	26.9
86.09679	2.7
87.04503	0.9
91.05463	2.7
93.07026	5.2
95.04931	2.4
97.02879	6.3
99.04456	1.1
105.07029	4.8
107.08589	18.8
109.02880	3.0
109.06493	1.5
109.10165	1.7
119.04964	1.1
119.08541	2.4
121.06491	2.7
123.04427	1.8
127.03894	5.5
133.09128	1.1
133.10110	19.3
135.11685	20.0
137.05983	2.7
137.09595	1.8
145.04944	3.3
147.04393	2.2
149.06044	1.1
151.11174	2.4
153.01816	1.9
161.05940	1.3
161.09584	9.9
163.03816	1.1
163.05971	1.2
179.10648	35.5
181.04948	1.0
191.06996	2.1
197.11711	100.0
198.12038	1.6
208.09654	3.4
209.70287	0.9
291.29202	1.0
310.15033	1.1
360.05228	1.7
360.14398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61312	0.6
53.03925	1.5
55.01859	2.2
55.05492	1.0
57.03434	3.1
59.04982	0.9
61.02923	5.1
64.77856	0.7
65.03922	0.6
67.05482	2.8
69.03422	9.7
69.07058	0.9
69.27760	0.6
69.28999	4.8
69.29424	1.9
70.06575	3.8
71.04977	1.8
72.08154	4.2
73.02896	2.2
79.05483	2.0
81.03402	4.3
81.07040	1.9
83.04968	1.3
84.04501	1.6
84.08138	1.1
85.02895	39.1
86.09685	2.8
87.04440	2.0
88.00727	0.6
91.03931	2.4
91.05444	5.0
93.07026	4.9
95.04960	2.6
95.08581	2.7
97.02882	12.4
98.09706	0.9
98.20853	2.3
98.97559	0.9
99.04465	2.9
103.05460	0.6
105.07027	7.3
107.04943	1.1
107.08585	54.6
108.08909	0.8
109.02887	3.3
109.06525	3.1
109.10140	9.6
115.05354	0.7
116.07017	0.7
116.98595	0.9
117.03415	0.9
119.04932	3.1
119.08548	2.6
121.06506	3.0
123.04430	8.1
123.08054	0.7
123.11663	1.7
127.03905	7.2
131.08424	0.7
133.10121	22.9
134.10374	0.7
135.04408	3.9
135.08052	1.1
135.11682	11.5
137.04926	0.6
137.05927	3.0
137.09590	7.0
139.03882	1.7
143.11801	0.7
145.02841	2.3
145.04948	9.8
147.04395	4.0
151.03859	0.7
151.11191	4.8
157.07593	0.7
161.09613	6.9
163.03882	17.7
163.07542	1.8
165.02455	0.7
165.05461	1.5
175.07510	1.0
179.10648	21.6
181.04929	7.4
190.08698	1.5
191.07010	5.3
197.11710	100.0
198.12061	2.0
208.09717	3.2
214.08423	0.6
297.28647	0.8
325.10678	0.9
343.11719	1.3
359.03256	1.1
359.13098	0.9
359.16779	16.2
360.05249	2.5
360.14233	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	360.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35378	0.7
65.03916	0.9
70.41497	2.3
70.41866	1.5
71.04998	0.7
85.02892	4.5
86.09673	1.0
97.02899	1.1
97.47813	0.7
121.02859	1.9
127.03916	1.2
133.02832	2.6
135.04381	2.2
145.04929	1.9
149.02330	100.0
150.02716	0.9
153.01785	3.6
158.82791	0.8
163.03893	63.5
167.03423	1.7
174.91835	0.8
180.08617	1.5
181.04944	38.8
182.05180	1.0
198.12061	1.9
208.09544	0.9
360.05765	1.3
361.05466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01854	4.0
56.96541	2.9
57.03409	6.6
57.48198	1.9
58.36944	2.2
60.04532	2.9
61.02921	11.0
69.03428	23.0
69.09754	1.9
70.06571	2.9
71.04964	3.5
71.23393	4.7
72.08117	2.3
73.02910	2.9
80.53795	1.9
81.03394	7.8
85.02895	100.0
86.09692	9.7
89.03902	2.5
91.03925	7.2
91.05428	4.5
91.54249	2.1
97.02875	29.3
97.51185	1.9
98.97572	3.7
99.04423	6.6
100.02404	2.0
101.02337	2.4
106.60806	2.1
107.04929	5.3
109.02856	8.9
109.98038	2.0
110.06030	3.0
111.04436	20.1
111.08553	2.0
119.04904	11.4
123.04400	5.6
127.03885	34.7
131.04842	2.2
133.02773	2.1
135.04381	29.3
137.05893	2.6
138.05501	5.5
139.03879	53.4
141.35402	2.7
145.04936	46.4
147.04398	43.0
148.04700	3.4
151.03893	2.4
152.07053	2.0
163.03885	29.6
163.06038	7.8
163.07500	2.7
165.05464	7.9
180.06555	15.0
180.08615	12.1
181.03340	4.7
181.04926	69.9
191.06990	6.4
198.07562	17.3
208.09621	12.4
221.03120	2.8
250.44221	2.5
287.07190	2.3
331.38351	2.5
360.07068	3.0
360.13773	9.3
361.14743	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.6
57.03421	1.2
57.72618	0.4
60.90422	0.4
67.05470	0.5
68.99786	1.0
69.03410	0.6
70.06581	2.4
70.90067	0.6
70.90380	0.6
71.01372	0.5
74.47996	0.4
79.05486	0.5
80.13586	0.4
81.07043	0.9
82.72115	0.4
83.01326	0.7
85.02875	0.7
91.05477	1.6
93.07038	0.6
94.73725	0.4
95.04957	1.9
95.05493	0.4
95.08596	0.8
100.36345	0.4
104.37705	0.5
105.07004	1.5
107.04961	0.9
107.08596	0.8
115.05484	0.8
116.63882	0.5
117.06967	2.2
119.04964	2.0
121.06492	3.1
123.04418	19.8
126.22139	0.5
135.04407	1.9
135.08022	3.4
136.07549	1.5
137.05974	1.4
139.03880	1.1
142.29219	0.4
145.06480	2.0
146.79510	0.5
147.04399	7.1
149.05936	2.6
151.03880	1.6
158.72244	0.4
161.05977	1.4
162.09114	0.5
163.03860	1.4
163.07521	12.1
165.05457	3.3
167.06999	0.5
173.05951	5.4
175.07422	0.7
179.06999	4.2
185.05981	0.6
190.08614	11.2
190.10228	0.8
190.17998	0.4
191.07018	56.8
192.07437	1.1
203.06982	2.6
208.09676	100.0
209.10023	1.6
220.09682	1.7
277.31915	0.5
325.10654	6.0
342.13370	4.7
343.11740	2.2
360.14377	33.1
361.14777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.2
71.52662	2.5
74.13009	1.2
78.60786	1.2
79.05485	1.5
81.07056	2.1
84.08150	1.5
85.02877	3.1
86.09660	1.8
91.05455	3.6
91.95237	1.2
93.07050	1.4
95.08584	1.5
97.02887	1.8
97.82113	1.1
105.07013	1.5
107.04951	1.8
107.08557	1.3
109.06525	1.2
117.03382	1.9
117.07052	1.3
123.04438	2.0
131.04906	2.7
137.02377	2.0
137.05960	24.4
137.35477	1.2
138.06334	4.8
142.50665	1.2
145.06468	1.5
147.04346	4.1
149.06000	3.2
150.06761	2.5
151.03862	1.9
151.07498	1.9
153.01819	7.6
161.05988	4.8
162.06679	1.7
163.07613	3.1
164.08244	2.2
165.05658	1.3
165.06999	4.1
166.07770	1.9
167.07010	4.0
167.08565	3.2
174.06720	1.4
178.03204	1.4
178.07730	3.2
179.07045	1.4
179.08525	2.2
181.06403	2.4
181.08540	2.7
182.07254	1.4
187.07544	1.4
189.09064	2.8
191.06917	1.5
191.08588	2.5
193.06479	1.8
194.07225	3.1
195.08026	4.8
201.12270	1.4
205.06535	2.0
206.07205	3.0
207.07964	1.8
209.09583	2.0
210.06714	1.7
211.07495	3.8
212.08223	2.0
220.08844	4.1
221.05927	3.7
221.09615	5.6
222.06738	2.3
223.07504	6.5
224.08134	1.6
225.05484	1.7
225.09111	5.0
231.07988	2.5
234.06743	2.2
235.07446	2.6
236.08212	1.4
237.09073	5.8
238.09886	4.1
239.07063	4.1
240.07803	3.0
243.09985	2.3
248.08278	5.9
248.96634	1.3
249.09145	5.5
250.09584	1.4
251.06972	5.1
253.08572	12.0
254.09190	2.2
255.10046	3.5
265.08612	8.5
266.09354	9.8
267.10101	5.3
268.07275	1.9
269.07983	1.7
271.09799	2.2
279.10101	1.6
281.07990	7.1
281.11755	4.0
282.08698	4.2
283.09760	8.2
283.12488	1.8
285.11172	3.3
286.12018	8.0
297.11157	3.9
298.11908	5.3
299.12772	2.3
309.11176	5.8
310.11914	16.1
311.12698	5.8
318.05994	3.2
327.12244	48.6
328.12469	3.4
330.14557	36.8
331.14841	2.2
341.13885	3.6
342.14569	100.0
343.14932	5.2
360.05261	10.9
360.15289	5.0
361.05502	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
56.96544	1.7
57.03425	1.1
60.04514	0.7
61.02912	2.5
63.62406	0.7
65.03928	0.8
69.03426	4.8
70.06586	1.6
71.05014	0.9
71.29146	0.7
71.60691	1.0
72.08133	1.5
73.02917	1.1
79.05479	0.8
81.03403	1.0
81.99821	0.7
85.02896	14.3
85.03363	1.4
86.09682	3.6
91.03975	1.2
91.05448	3.4
93.07027	0.8
95.04959	2.3
97.02890	3.6
98.97545	1.3
103.05461	30.8
105.07001	2.1
107.04941	5.3
109.02895	1.8
109.06499	0.8
111.04420	1.2
113.35224	0.7
116.98613	0.7
117.03348	2.2
117.07047	0.8
119.04931	5.8
123.04406	3.9
127.03931	5.2
131.04916	100.0
132.05257	2.5
133.06468	2.8
134.07275	1.0
135.04393	3.3
137.05962	2.6
139.03905	1.9
145.02850	2.9
145.04933	7.8
147.03204	1.3
147.04395	24.7
148.04791	1.1
150.09149	0.9
151.03920	1.7
151.07523	1.6
161.05998	1.6
163.03899	14.9
163.06154	1.8
163.07524	49.5
164.04341	0.8
165.05428	7.7
167.07045	0.8
177.05530	4.0
177.09029	0.9
179.07040	0.9
180.06561	0.9
180.08708	1.4
180.10182	3.1
181.04959	5.9
181.08719	1.1
190.08665	0.9
191.07001	3.8
198.11197	3.7
208.09621	6.5
211.07199	0.7
232.48114	0.7
260.98459	1.4
337.00162	1.3
360.13077	4.1
360.17697	1.0
361.14511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.7
55.01859	22.8
55.05502	45.6
57.03422	17.7
57.07053	6.4
67.05498	90.6
69.03407	15.4
69.07059	77.0
71.01339	23.2
71.04985	30.0
71.63675	8.9
79.05480	82.8
81.03391	30.3
81.07047	100.0
83.04953	20.3
83.08630	25.6
85.02884	12.9
85.06535	18.6
91.05472	52.9
93.07039	83.4
95.04963	37.9
95.08601	44.0
97.02859	18.7
97.06534	27.8
97.10178	9.8
99.04436	7.0
99.08071	16.4
103.18577	5.5
104.61882	4.9
105.07013	34.3
107.04936	20.3
107.08592	64.3
109.02855	5.5
109.06512	36.0
109.10142	39.7
111.04414	9.1
111.08034	8.2
113.05994	13.0
115.05463	5.4
117.07005	20.6
119.08580	28.7
121.06518	10.7
121.10130	50.8
123.04402	14.9
123.08047	21.4
125.09590	13.5
129.06992	8.6
131.08551	26.3
133.10118	27.6
135.08049	24.4
135.11667	24.6
137.09592	18.1
139.11148	8.9
141.09035	10.9
143.08527	6.9
145.06450	5.8
145.10118	20.2
146.18857	5.6
147.08011	10.9
147.11679	9.4
149.09587	21.3
151.11143	7.8
153.09137	24.5
157.10161	8.1
159.08012	6.7
159.11653	14.6
161.09615	11.7
161.13223	6.6
163.11140	9.1
165.09061	7.1
167.10660	18.6
173.11708	27.2
175.11188	7.3
177.12668	6.9
179.10645	10.0
181.12212	10.7
182.11687	6.9
185.11815	5.9
187.13280	5.4
193.12228	82.2
209.11671	12.3
218.29860	5.5
223.13336	9.7
227.12749	5.8
261.18570	6.0
271.16907	6.9
273.18439	10.4
281.58871	5.3
289.10098	4.8
289.17957	53.3
291.19443	27.1
307.19049	25.1
325.19748	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	360.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04575	2.3
53.03933	8.2
55.01854	10.7
55.05254	3.0
55.05506	41.7
57.03016	2.1
57.03431	11.7
57.07052	3.8
59.04992	18.4
65.03923	4.0
67.05497	81.0
69.03429	15.6
69.07058	100.0
69.47764	12.7
69.48182	6.2
69.96189	2.7
70.06605	2.6
71.01333	9.9
71.04984	72.0
73.02902	11.6
73.06532	4.4
73.09187	2.3
79.05484	86.3
81.03410	21.5
81.07047	74.0
83.04962	18.6
83.08612	24.6
84.02097	10.1
85.02899	3.0
85.06525	6.0
85.61532	2.4
87.08069	4.2
88.66225	2.1
91.05470	50.0
93.06461	4.5
93.07033	76.6
94.04158	2.4
95.04951	38.3
95.08597	38.0
97.02883	5.3
97.06522	81.0
97.10151	29.4
97.65182	2.2
98.07300	3.0
99.08084	3.3
105.07018	36.5
107.04958	12.9
107.05584	3.0
107.07874	2.4
107.08585	48.0
109.06487	18.9
109.10146	37.2
111.08032	9.1
113.05969	3.2
114.94388	2.3
115.06775	3.9
115.07557	60.3
117.06991	8.6
119.08549	23.0
121.06467	6.5
121.10129	54.5
123.08072	5.4
123.11675	5.0
125.09613	19.0
129.06981	7.0
131.07013	8.0
131.08551	13.1
133.10118	17.6
133.58687	2.2
135.08051	5.8
135.11674	5.2
137.09564	5.6
142.07704	3.0
143.08609	3.8
145.10115	14.6
147.11665	9.4
149.09578	8.9
149.13145	5.8
151.11163	3.2
153.12708	38.3
155.10648	7.7
157.10085	4.8
159.11676	10.3
161.09612	3.8
161.13243	3.3
163.11189	3.7
173.11731	57.0
173.13164	4.0
177.12711	4.0
189.11185	27.3
193.12306	2.6
194.13017	27.2
195.13774	3.7
196.12372	2.4
211.13179	2.7
212.14165	3.7
223.13278	6.2
252.43935	2.6
257.19107	4.6
275.19971	36.5
291.19217	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.5
55.05508	26.5
57.07067	3.3
59.04999	5.2
66.08631	2.1
67.05161	3.9
67.05498	47.9
69.03405	2.8
69.07059	30.5
70.59455	9.7
71.04984	100.0
73.06564	2.6
74.13265	2.3
79.05489	45.5
81.07046	48.0
83.04963	5.3
83.08611	14.0
85.06515	4.0
91.05475	18.3
93.07033	55.6
95.04956	6.6
95.08602	24.6
97.06513	14.0
97.10165	21.7
98.83239	2.7
99.08118	3.0
105.07024	19.2
107.08593	50.4
109.06540	6.0
109.10146	27.4
111.08088	4.0
117.07020	6.0
119.08582	14.5
121.06476	3.5
121.10133	32.5
123.08110	2.8
123.11694	4.8
125.09610	17.6
131.08560	8.0
133.10136	16.8
135.08173	2.9
135.11676	15.2
137.09613	4.5
145.10132	5.3
147.11697	8.5
149.09584	11.1
149.13266	9.2
151.18016	2.3
153.12735	22.7
155.10629	5.4
159.11658	11.9
161.13249	5.6
163.11229	3.3
173.11728	44.1
173.13165	5.0
177.12714	9.9
189.11208	17.9
193.84581	2.5
195.13789	15.8
209.15367	5.4
213.14792	5.3
225.91133	2.3
227.16371	67.4
257.18982	7.5
275.20032	60.5
275.23038	2.9
282.93835	2.5
293.21100	6.9
300.38483	2.6
307.22525	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	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
55.05507	31.7
57.59663	2.2
59.05001	4.3
66.71906	2.4
67.05498	52.3
69.03419	3.4
69.07054	25.7
70.87941	7.5
71.04986	55.8
73.06552	5.7
79.05485	64.7
79.05947	3.7
81.07057	24.6
83.08610	18.5
85.06551	3.5
85.17965	2.8
87.08096	6.0
91.05466	15.4
93.07034	64.7
95.04897	3.3
95.08585	29.7
97.06513	10.9
97.10167	27.0
105.07008	18.1
107.08578	49.3
107.91317	2.6
109.06507	2.9
109.10144	47.5
117.06956	4.1
119.08568	14.0
121.10127	72.2
121.10992	3.8
123.11664	5.1
125.09618	19.5
131.08572	5.9
133.10130	8.6
135.08134	2.8
137.09648	4.1
145.10133	5.9
147.11681	6.7
149.09625	7.9
153.09157	4.0
153.12723	61.9
155.10657	13.9
163.11185	2.7
173.11714	100.0
173.12921	4.1
179.14282	2.6
183.11758	3.0
189.11203	35.4
244.14905	4.1
257.18991	5.4
275.20050	58.0
293.21002	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	361.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01863	1.5
55.05515	0.5
56.96552	1.1
57.03419	0.9
61.02920	1.2
65.12480	0.5
67.05486	1.5
69.03413	2.3
70.06572	0.9
71.02383	1.1
73.02907	0.9
77.03922	0.9
79.05489	7.5
81.03384	1.6
81.07044	2.2
83.04975	0.6
83.08608	0.6
85.02908	5.6
91.05471	7.1
93.07034	13.7
95.04970	3.5
97.00100	0.5
97.02868	2.0
97.06512	1.3
98.97567	0.9
103.05476	1.1
105.06993	0.8
107.04948	1.5
109.06538	0.8
111.08038	1.4
116.98560	0.9
119.04911	3.6
119.08572	0.8
121.06490	20.6
122.06797	0.6
123.04453	1.4
123.08060	7.1
127.03887	1.2
131.04903	0.7
134.99649	0.6
136.03870	1.2
137.05968	3.3
139.03893	1.5
139.07527	14.8
143.01915	1.2
145.05005	0.8
145.06465	0.6
147.04395	12.0
148.04720	1.4
149.05963	4.2
157.40167	0.5
161.02940	1.8
163.03879	1.1
163.07530	0.7
165.09100	4.3
167.07022	100.0
168.07404	2.7
169.02603	2.5
181.04958	0.6
181.08601	0.9
185.08080	2.4
197.04120	0.8
199.09628	27.6
200.09911	0.5
208.09689	0.8
211.07027	0.6
215.05261	3.0
239.02271	0.7
257.03421	0.9
306.71002	0.5
337.74820	0.5
343.07874	1.3
361.08847	9.0
361.14148	2.2
361.18414	0.7
362.09018	0.6
375.10492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83620	4.1
57.03431	6.0
67.05505	6.9
68.66421	4.9
69.07040	4.8
70.06588	11.1
72.08118	4.4
79.05476	10.3
80.24831	4.8
81.07038	10.1
84.32592	4.9
85.02905	11.1
86.09705	4.8
91.05468	41.4
93.07030	16.5
95.04988	11.8
95.08593	8.3
96.29798	4.1
103.05473	19.2
105.07021	19.0
107.04938	26.4
107.08581	6.0
109.06494	12.2
111.04482	5.6
115.05437	8.0
117.07042	6.4
118.62767	4.7
119.04941	23.7
121.06506	20.0
121.10122	10.1
123.04409	28.8
124.04695	12.4
128.06160	4.9
129.06999	14.3
131.04916	17.1
131.08556	10.1
133.02782	4.5
133.06529	8.0
135.04422	11.1
135.08064	13.1
135.36621	4.6
137.05962	91.1
139.07559	6.6
145.06456	8.9
145.10095	6.1
147.04390	28.6
149.05997	15.0
151.03889	7.2
151.07533	61.0
152.54974	5.2
153.05441	9.6
157.06502	18.0
161.05968	100.0
161.09653	22.5
162.06609	5.8
163.03835	5.4
163.07526	48.9
163.11206	13.7
164.07913	10.6
165.05482	14.7
165.06979	9.3
165.09114	6.2
166.06253	8.5
167.07031	34.8
167.08464	9.9
173.05873	4.5
174.06592	7.7
175.07549	12.8
177.09171	5.3
179.07079	8.7
180.07703	12.0
181.04922	4.4
181.06476	3.8
181.07156	5.9
181.08563	45.8
181.09729	4.2
181.12149	24.2
182.07336	7.0
189.09082	79.2
191.07037	35.8
191.08685	8.4
192.07365	46.2
195.08061	10.2
199.13362	10.3
207.10153	52.0
208.09673	51.5
209.09964	65.8
221.06056	5.9
221.09688	6.9
223.07613	5.0
225.09056	12.8
227.07143	4.7
227.10661	13.0
229.46753	8.6
253.08604	19.9
253.12207	6.4
255.10257	19.9
257.11734	10.6
280.02502	5.0
283.09882	5.1
285.11188	28.5
287.12820	31.5
299.12637	5.4
311.12973	6.0
313.10706	5.0
313.14319	15.4
315.12283	12.4
317.13898	11.5
326.10968	11.1
331.15329	16.0
344.12228	5.3
361.05637	10.1
361.14645	45.2
366.86169	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	361.1639
Annotation	Muricarpone A
Peak:m/z	Relative Intensity
52.37822	1.8
53.03930	2.5
55.01862	2.3
55.05501	2.5
56.70588	1.8
65.03941	3.3
65.17529	1.4
67.05489	2.5
69.03415	2.7
69.38349	9.4
69.38778	7.2
70.47775	1.9
71.04993	3.5
71.06983	1.8
72.08141	5.1
77.03927	1.8
79.05485	14.8
81.03397	2.9
81.07054	4.9
83.04935	1.9
83.08592	1.7
85.02898	2.9
91.05471	29.5
93.07029	16.0
95.04968	11.3
95.08576	5.3
97.02872	1.6
98.21456	2.5
103.05445	11.9
105.03350	2.0
105.07009	15.0
107.04939	34.7
107.08597	3.6
109.06522	5.0
109.10135	2.0
111.04462	2.3
115.05431	3.4
117.07015	7.2
119.04926	7.6
119.08601	3.3
120.05686	3.2
121.06482	21.7
122.03623	3.7
123.04398	8.6
123.08028	3.8
124.05201	5.4
125.05986	6.9
125.09609	2.1
128.06192	8.4
129.06990	34.6
131.04912	10.7
131.08554	16.5
133.02846	2.6
133.06461	5.2
133.10106	2.2
135.04387	2.8
135.08041	8.4
137.05960	19.7
139.03941	1.9
139.07469	2.9
143.04930	2.4
143.08508	2.7
145.06494	6.4
146.03606	1.8
146.07236	2.9
147.04404	5.4
147.08073	4.2
148.05144	3.4
149.02417	2.0
149.05975	6.9
150.06792	2.4
151.03889	3.5
151.07503	22.4
152.04703	4.9
152.06189	3.0
153.05461	18.0
153.06902	4.8
155.07042	2.5
157.06480	20.6
158.07227	1.9
159.08005	3.2
160.05214	2.1
161.05956	50.4
161.09613	13.4
163.07538	24.4
165.05530	3.5
165.06979	9.2
165.09123	9.7
166.06288	11.0
166.07591	2.9
167.07034	82.2
167.08543	6.9
168.07419	2.0
169.06413	1.9
171.08038	2.6
173.05945	2.9
174.06744	15.0
175.07561	10.3
177.06981	2.9
177.09131	8.3
178.07736	3.4
179.07007	4.9
179.08578	8.1
179.10666	2.0
180.07852	1.7
181.06415	4.1
181.06728	3.7
181.08571	100.0
181.15828	2.7
182.07286	6.0
182.08858	3.1
183.08041	4.0
189.09077	96.5
191.06960	2.2
191.08577	4.8
191.10533	2.8
193.06517	2.8
193.08578	3.4
194.07304	4.9
195.08046	13.2
195.09999	3.3
197.05991	2.5
197.09607	11.0
199.07584	2.0
203.10635	2.3
205.06596	2.5
207.08044	6.8
207.10156	23.1
208.08775	5.1
209.05981	2.0
209.09550	2.1
210.06717	7.5
211.07520	6.3
211.11244	2.4
212.08351	3.7
213.09042	2.9
219.08063	7.1
221.06015	5.9
221.09540	1.6
222.03935	4.5
222.06792	4.2
223.07516	12.5
223.11151	5.6
224.08266	3.8
225.05470	3.5
225.09059	17.5
227.07048	6.3
227.10542	2.9
229.12245	3.8
233.09554	3.0
235.07616	2.7
236.08350	4.4
237.09064	3.4
238.06143	2.2
239.06981	4.9
239.10638	2.3
240.07819	6.1
241.08601	3.5
242.09280	2.4
247.07646	3.8
251.07030	6.0
251.10643	9.7
253.08586	19.2
254.09129	2.8
255.06506	2.8
255.10127	7.8
256.07309	1.8
257.11700	20.9
259.09576	1.8
265.08609	2.8
268.07483	3.0
268.10733	2.2
269.07883	2.1
270.08810	5.0
271.09622	2.1
271.13239	3.1
279.10144	7.1
283.09634	14.3
283.13242	12.9
284.10010	2.1
285.07916	2.2
285.11176	37.6
290.21115	2.5
296.10394	2.4
297.11160	4.5
299.09152	4.4
299.12775	5.1
300.10007	2.2
302.11426	3.8
305.14157	2.2
311.12668	10.6
313.10709	2.5
315.12201	17.3
317.13757	28.1
329.14032	3.1
331.15332	6.2
343.15341	13.1
361.02365	6.7
361.12170	3.0
361.16418	27.1
361.21072	3.1
372.88965	1.7
379.03601	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39159	2.2
55.01876	4.1
58.96008	2.0
67.05486	6.1
69.07088	2.0
70.18158	10.1
79.05489	12.8
81.07030	6.3
85.02911	3.8
91.05467	22.2
93.07045	11.8
95.04963	10.5
95.08588	3.1
97.02912	3.5
98.21371	2.5
103.05441	11.1
105.07005	9.9
107.04954	33.4
107.08606	2.7
109.05677	2.2
109.06429	2.6
109.10145	4.6
111.04404	2.8
115.05437	3.5
116.06184	2.7
117.06978	3.5
119.04935	7.5
119.08562	2.6
120.05735	3.3
121.06493	21.3
122.03674	3.0
123.04446	6.1
124.05257	3.9
125.06000	4.2
128.06224	6.2
129.06973	23.7
131.04939	11.2
131.08556	11.9
133.02762	2.3
133.06444	5.3
135.04405	2.9
135.08037	9.5
137.05969	21.0
145.06422	5.8
147.04362	3.6
147.07979	2.9
148.05186	6.4
149.05969	6.2
151.03891	6.6
151.07542	18.7
152.04710	4.7
153.01849	4.0
153.05450	14.2
155.07001	3.6
157.06483	20.7
159.08063	2.7
161.05969	36.5
161.09593	9.0
163.07539	19.8
163.14777	4.6
165.05435	3.6
165.07002	8.3
165.09097	7.7
166.06218	9.9
166.07487	2.2
167.07047	64.1
167.08531	5.2
173.11722	3.6
174.06735	11.8
175.07559	7.7
176.58920	2.1
177.06978	3.2
177.09085	10.8
179.08513	4.9
181.06380	4.7
181.06731	4.0
181.08585	100.0
181.15970	2.5
182.07257	6.0
182.08922	2.3
183.07996	4.8
187.07635	3.0
189.07326	4.3
189.09088	78.1
190.09549	2.6
191.08606	3.7
191.10445	2.9
194.07234	4.6
195.08032	11.0
197.05945	3.8
197.09592	8.3
199.07484	3.0
205.06520	2.3
207.08134	4.5
207.10155	20.5
208.05080	2.3
208.08717	3.7
209.05920	2.5
210.06776	8.6
211.07520	5.9
219.08064	6.6
221.05899	7.6
221.09676	3.9
223.07515	8.2
223.11145	3.2
224.08284	5.0
225.09132	18.7
227.06909	4.6
229.12138	3.1
235.07605	4.1
236.08179	5.4
237.09088	4.3
239.07018	5.4
239.10725	3.4
240.07770	5.2
241.08688	2.5
242.09297	2.8
247.07567	2.9
251.06979	6.9
251.10657	7.6
253.08546	12.9
255.06465	4.6
255.10136	7.6
257.11636	13.3
265.08664	3.0
267.10056	3.0
270.08942	5.6
271.13327	4.2
279.10080	4.9
283.09662	13.9
283.13358	8.0
285.11221	38.5
286.11707	3.0
297.11127	3.1
299.12839	4.8
302.11462	3.4
305.13879	2.9
311.12723	6.3
314.11288	3.1
315.12250	17.7
317.13818	26.3
329.13785	3.7
339.04120	2.5
343.15451	15.5
361.05807	3.9
361.16394	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	362.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.39609	0.8
54.87737	0.8
55.01851	1.0
55.98496	1.0
56.96552	2.7
57.03425	2.5
61.02911	3.1
67.05483	1.4
69.03428	8.5
69.07047	1.8
71.01402	0.9
71.04980	1.7
71.63369	1.3
73.02892	1.8
74.06059	0.9
77.72111	0.9
79.05483	0.9
81.03400	2.3
81.07034	1.1
84.08102	1.2
85.02409	1.4
85.02897	18.6
86.09694	3.3
87.04456	1.3
87.11071	0.9
91.05460	1.9
93.07041	2.4
94.06560	4.1
95.04964	1.0
97.02863	5.8
98.97575	2.8
104.10925	0.8
107.04925	1.1
108.08112	3.9
109.02857	1.1
109.06535	1.0
110.06022	2.8
112.03942	1.2
116.98600	3.1
118.06505	0.8
119.01882	2.0
119.04932	2.7
122.06016	17.2
122.16740	0.8
123.04397	3.3
127.03902	4.3
128.98582	1.2
134.99669	2.3
135.04356	2.0
136.07562	17.6
137.05962	2.2
137.84241	0.8
138.09151	1.6
140.07050	23.9
145.04953	3.5
146.99672	1.3
147.04416	2.7
154.08617	13.3
158.99615	2.2
163.03848	5.2
164.07071	2.5
165.05446	2.4
175.21721	0.9
177.00725	2.3
182.08113	16.9
191.03766	2.1
200.04292	2.3
200.09163	100.0
201.09540	2.7
219.01727	1.7
236.07918	1.9
237.02907	2.3
240.07385	1.6
257.03278	1.1
268.95847	0.8
272.06461	1.7
279.03625	1.1
281.07065	1.2
299.11234	1.8
305.39432	0.9
321.08694	1.3
344.13330	2.5
362.14148	1.3
363.10220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01859	0.7
56.96558	4.0
57.03421	0.6
60.04514	0.6
61.02911	1.1
65.03928	0.4
67.05484	1.2
69.03422	2.4
69.07044	0.5
70.06580	1.2
70.21376	1.9
71.04978	0.9
72.08147	0.4
73.02911	0.8
79.05476	0.5
81.03397	1.4
81.07056	0.8
83.04993	0.5
84.04491	0.5
84.08103	0.4
84.96008	1.8
85.02896	11.4
85.23545	0.4
86.09682	0.9
87.04470	0.5
91.03969	0.5
91.05488	4.1
93.07053	0.7
95.04932	0.8
95.08600	1.1
97.02886	3.0
98.97578	1.1
99.04433	1.3
102.05524	0.4
103.05433	0.4
105.07033	0.8
107.04926	1.1
109.02872	1.2
109.06545	0.4
109.10139	2.8
110.07141	0.5
116.98609	1.3
117.06988	0.7
119.04942	2.7
119.08582	1.8
120.97999	0.5
121.06481	0.5
122.02699	1.4
123.04424	5.0
123.08052	1.3
127.03889	1.9
131.04897	1.0
131.08549	1.2
134.99646	1.3
137.05972	2.4
137.09576	3.5
139.03857	0.8
145.03903	0.4
145.04906	2.3
146.99643	1.0
147.04398	10.2
147.08028	4.1
148.04738	0.5
149.05954	0.4
156.07692	0.4
161.09598	0.5
163.03897	1.0
165.05469	4.1
165.09100	100.0
166.09438	2.0
177.09061	1.0
180.08640	1.1
183.06470	0.8
183.10143	5.7
185.09073	0.4
187.07417	0.5
189.09096	2.1
195.03282	0.7
200.12695	0.8
207.08136	0.5
207.10095	0.6
211.02773	0.7
213.04294	1.3
213.49559	0.5
235.02960	0.5
235.07462	0.9
237.02794	1.5
239.02261	4.8
241.14256	0.5
249.11281	0.4
253.08432	0.4
257.03290	7.1
279.01675	1.1
281.03299	0.6
281.07883	0.6
291.12195	1.2
295.04874	1.0
297.02850	1.6
316.11786	1.3
321.02850	0.5
339.03906	1.4
343.06067	0.4
344.11224	0.4
357.04553	0.5
362.08563	0.9
362.12451	0.5
362.18576	1.1
363.16193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.2
56.96553	3.5
57.07060	6.4
66.67448	2.5
67.05497	60.4
69.03404	3.0
69.07047	8.0
69.47124	7.8
69.47546	14.7
70.06562	7.0
71.04987	100.0
71.08614	10.3
79.05481	11.2
81.07044	45.0
82.81825	2.0
83.08623	14.2
84.62939	2.1
88.07612	5.9
91.05453	9.8
93.07043	7.1
95.08604	13.7
97.10171	15.8
98.97598	3.5
99.08085	5.1
105.06996	9.5
107.08595	14.9
107.90131	2.7
109.06488	3.2
109.10145	33.8
110.10490	2.0
114.09108	4.6
116.98579	7.0
119.08566	7.3
120.08018	2.7
121.10113	5.2
123.07974	3.0
123.11670	13.5
125.09616	8.6
132.10188	9.7
133.10139	6.2
134.99657	7.6
135.08069	2.6
135.11633	4.1
137.09477	3.0
145.10094	5.0
149.13295	3.4
151.11205	5.8
153.00668	3.6
155.08612	2.8
155.10658	5.1
155.14285	58.2
158.01233	2.6
159.11636	3.5
161.13251	2.8
163.11156	2.2
166.27428	2.3
173.11732	60.6
173.13152	2.4
176.12846	3.9
177.07082	2.4
177.12689	2.4
189.11215	14.7
190.14467	3.7
195.13834	3.4
219.23709	2.2
227.16441	11.4
256.26230	4.4
274.27271	2.8
277.21570	18.0
295.22604	2.8
338.67044	6.0
362.25995	3.0
362.32690	46.1
363.21643	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	363.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
56.96556	9.5
57.03435	0.5
57.82990	0.4
60.04520	0.9
60.72431	0.5
61.02927	0.6
68.96568	0.6
69.03432	2.3
70.06573	0.4
70.80888	0.9
70.81255	0.8
71.95260	0.6
73.02821	0.5
81.03425	0.9
83.04976	0.8
83.06098	0.6
84.08144	0.6
84.96023	1.4
85.02891	4.6
86.09699	0.5
97.02891	2.3
98.97571	94.6
99.05557	1.7
105.06973	0.6
105.24493	0.5
110.97581	0.7
112.07540	0.8
116.98607	79.3
118.99101	0.4
119.01904	1.8
119.04923	0.8
124.07624	0.5
127.03899	1.3
128.98573	2.8
130.08681	0.6
131.00185	0.8
131.01891	0.7
134.99643	46.9
135.04408	0.6
136.99995	0.5
137.05951	0.6
140.00172	2.5
143.00169	0.5
143.01878	1.2
145.04926	1.0
146.99672	2.6
147.04387	0.9
153.00702	5.7
158.01236	2.7
158.99637	45.8
160.02708	0.5
161.01178	1.1
161.02945	3.1
163.03902	0.6
165.00713	0.6
167.07031	0.5
170.99631	1.6
173.02939	0.6
175.02785	0.7
175.04364	0.7
176.02261	0.5
176.19156	0.4
177.00694	100.0
178.01016	1.0
179.01088	0.5
189.00697	1.3
193.03218	0.5
195.00060	0.6
195.01764	10.5
200.02284	8.7
201.04305	1.0
201.06018	0.5
201.12421	0.6
203.03938	0.8
205.03691	0.6
219.01743	50.1
220.02135	0.6
221.05048	2.2
237.02766	7.6
243.05324	3.6
255.03603	0.7
260.04346	0.6
285.06332	1.0
303.07385	24.8
304.07870	0.9
321.08502	40.8
322.08557	0.8
344.10098	0.8
363.09427	17.2
363.17007	1.2
381.10245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40219	0.8
56.96548	2.3
57.03430	1.0
61.02911	1.2
62.36900	1.0
65.03913	1.1
69.03421	1.7
70.06558	1.2
71.60965	1.0
76.75382	1.0
78.04691	2.0
81.03407	1.7
85.02888	4.3
97.02869	2.0
98.12364	0.9
98.97574	1.6
109.02853	1.5
116.98630	1.9
119.04917	1.5
123.04378	5.8
124.05149	1.1
127.03888	1.1
128.98627	1.1
134.99632	1.9
135.04379	1.7
145.02760	1.4
145.13336	1.0
147.04369	8.7
151.03862	1.2
152.04659	1.6
155.06992	1.0
163.03860	6.2
167.07019	100.0
168.07414	1.6
185.04213	4.2
203.05225	7.9
237.02832	1.6
365.06339	1.6
365.10583	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	364.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05484	0.9
56.47651	1.0
57.03438	5.4
57.52781	1.1
59.04981	1.3
61.02911	1.7
64.67274	0.9
67.05491	1.0
69.03413	4.2
69.57171	6.0
70.06571	1.1
75.04477	9.9
75.41383	0.8
76.84029	1.1
79.05485	7.0
80.88591	0.9
81.03395	2.0
81.07051	8.1
83.14124	1.0
85.02885	9.2
91.05465	8.1
93.07028	72.0
94.07390	1.5
95.04955	3.3
95.08587	5.4
97.02849	2.7
97.06483	1.4
103.32197	1.0
105.04427	1.3
105.07022	6.5
107.04899	0.9
107.08592	8.0
109.02879	1.9
111.04404	1.2
111.08057	9.6
119.08554	3.6
121.10126	100.0
122.10449	2.6
123.08031	1.7
123.11698	3.5
125.05974	4.1
125.09610	0.9
127.03896	2.5
131.08524	1.1
133.10129	2.4
136.06187	1.2
139.11160	21.2
145.04933	2.1
149.09589	16.8
150.90535	1.0
153.01833	6.9
153.05475	1.2
160.70006	1.2
167.10654	46.6
179.10678	1.8
195.02792	1.3
207.10164	1.2
213.04930	1.0
215.96353	1.0
225.11127	1.9
253.85866	1.1
303.04944	1.7
311.14737	1.1
364.14444	2.5
364.19955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25254	0.8
52.31615	0.8
53.03929	1.7
55.05508	0.9
57.03434	6.9
59.72947	1.0
67.05495	2.4
69.03421	2.8
69.07066	1.5
71.04992	1.0
71.48489	2.0
75.04473	20.4
79.05474	4.9
79.67513	0.8
81.03410	2.1
81.07070	6.1
85.02905	5.8
91.05461	8.8
93.07033	100.0
94.07374	1.9
95.04958	3.3
95.08599	3.0
97.02874	1.9
97.06519	1.9
105.07005	3.5
107.08546	5.6
109.10146	1.6
111.08078	11.7
119.08556	1.4
121.10130	53.3
122.10471	1.7
123.11710	2.2
127.03912	1.2
131.08447	1.0
133.10097	1.2
136.06177	16.3
137.09644	1.7
139.11169	9.5
140.07036	1.3
145.04944	1.5
149.09598	17.3
155.10686	1.1
159.11589	0.9
164.49971	0.8
167.10664	53.6
169.97855	1.0
169.99423	1.0
179.10692	1.8
179.59532	0.9
185.11705	5.8
197.11708	1.6
327.68564	1.1
364.19745	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	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.2
57.03426	7.1
61.02917	2.2
61.10920	1.2
67.05478	3.0
69.03407	5.0
69.07057	1.3
70.96670	2.4
71.04984	1.8
72.07791	1.5
75.04467	12.8
79.05483	7.2
80.61217	1.2
81.03395	5.3
81.07036	9.6
81.86285	1.4
83.08609	1.1
85.02897	15.0
87.04454	1.6
90.95153	1.1
91.05466	9.0
93.07032	75.4
95.04941	3.7
95.08595	6.6
97.02874	4.5
97.06512	1.4
98.20833	1.2
99.04403	1.5
105.07018	8.0
107.08575	4.0
109.02845	2.1
109.06538	1.7
111.08058	10.8
119.08573	2.2
121.10128	100.0
122.10440	2.1
123.00803	1.4
123.08030	1.7
123.11736	2.5
123.30988	1.2
125.05956	2.6
127.03930	3.2
131.08549	3.6
136.06165	24.2
137.02353	1.3
137.05980	1.9
139.11151	17.1
140.06978	1.3
145.04924	3.0
149.09584	15.7
160.17331	1.2
167.10654	48.4
168.11023	1.5
175.07439	1.3
185.11667	2.2
202.17966	2.0
303.04871	1.7
311.14880	3.2
350.16110	1.4
364.19498	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	365.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
69.35956	3.6
70.80610	0.3
71.04970	0.3
76.11904	0.4
77.59824	0.3
81.03426	0.4
81.07000	0.6
85.02879	0.8
91.05441	0.6
97.02847	0.4
98.20721	0.7
104.97939	0.4
107.08564	0.5
109.10149	0.5
120.03194	0.3
123.00790	0.5
138.05508	0.6
140.06979	0.4
144.08238	0.3
148.07524	0.4
160.08841	0.3
163.03896	0.4
166.04968	0.8
168.06468	0.6
169.01300	0.4
171.00504	1.5
172.07616	0.5
174.09108	0.7
175.08643	1.1
176.07089	1.6
185.04196	5.6
189.10274	0.6
190.08597	0.6
196.07623	0.5
199.08656	1.4
200.07016	0.7
202.08539	0.4
203.03122	100.0
203.08112	3.7
204.03435	2.4
214.08603	0.4
217.09766	3.5
218.08147	0.5
221.04222	1.0
225.10773	0.4
227.08163	2.8
228.06607	0.6
229.09695	0.4
231.28204	0.4
235.10672	0.7
241.09674	1.3
242.08102	0.8
244.05750	1.7
245.09201	9.1
254.23032	0.4
259.10635	2.1
263.10226	5.1
269.09375	0.7
273.08682	0.9
287.10223	3.4
289.11813	0.6
291.09760	1.9
305.11273	14.4
306.11856	0.4
315.09753	0.4
323.12344	5.6
333.10831	2.9
365.08374	42.6
365.13354	21.7
366.08676	1.6
366.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96491	4.5
57.03366	1.5
58.99800	0.8
61.02869	0.9
69.03381	1.4
70.56014	2.4
73.02837	0.7
74.03820	0.5
77.00825	0.8
81.03339	1.2
82.99802	1.4
83.24759	0.6
85.02820	2.8
86.99249	0.7
89.17965	0.7
91.75047	0.6
97.02802	2.0
98.97579	6.7
101.00861	9.0
102.96767	0.7
109.02802	1.8
110.01382	0.7
110.51368	0.7
110.97482	1.8
113.00797	2.1
115.02377	1.2
116.98623	3.6
119.01909	36.7
119.55217	0.6
122.01311	1.2
125.01781	0.6
127.03824	1.2
128.98607	3.0
131.01892	24.7
131.05469	1.1
131.51993	3.3
133.01605	0.9
133.03342	2.1
134.99538	2.0
137.01799	7.2
137.02872	6.5
137.51883	2.1
138.02640	0.8
139.02313	1.1
140.02390	0.8
140.98517	1.8
142.03406	0.8
142.96455	1.3
143.01888	20.5
143.02997	1.3
143.51944	1.1
144.01773	0.8
145.00760	0.8
145.03442	16.0
145.04657	1.0
146.02341	1.8
146.99561	2.2
147.01297	2.0
147.04944	1.5
149.01865	1.4
149.02878	2.7
149.06502	1.5
152.02429	5.2
155.00620	0.9
155.01871	12.1
157.03474	8.3
158.02287	1.2
158.99620	4.1
160.97554	1.1
161.02940	33.9
161.06535	1.1
161.53041	0.7
162.03015	1.2
163.04514	3.8
164.02365	0.8
165.00621	0.9
167.01810	4.3
168.01813	0.6
169.03404	3.4
171.04955	3.6
173.02948	41.6
173.06483	1.1
173.52989	1.9
174.98979	1.2
175.02820	1.1
175.04440	3.7
177.00691	4.8
179.01767	1.5
181.00079	0.8
181.03354	0.7
182.03439	4.5
182.53494	1.4
184.04469	1.0
185.02875	44.3
185.04222	15.1
185.06461	1.5
186.03001	1.1
187.04506	7.0
187.08080	0.8
188.96964	2.6
189.00685	2.5
189.05997	1.2
191.03931	2.3
193.00079	2.4
193.53616	0.9
194.03488	1.5
195.01814	1.3
196.02338	0.6
196.04482	1.5
197.01224	1.1
197.02943	18.8
199.04468	1.3
201.00758	1.3
202.04112	0.7
202.54150	1.5
202.98607	2.2
203.03844	15.5
203.05226	38.8
203.07481	1.1
203.54045	2.4
204.03932	1.2
206.98019	1.7
207.01680	1.0
208.04471	0.9
209.02960	1.8
212.04500	2.8
215.04002	12.1
215.07439	3.8
216.04146	1.0
217.00282	1.2
219.01735	1.0
220.99660	5.4
221.04942	2.9
224.04526	5.9
224.54544	1.5
227.03986	8.4
230.98083	3.0
233.05086	1.5
235.01276	1.4
237.02779	2.0
243.01955	0.8
244.99840	4.3
245.05046	97.1
246.05173	3.3
248.99110	1.4
257.05057	4.3
257.08740	0.8
260.99121	0.8
263.00815	5.7
263.06104	22.3
264.06198	1.1
275.00732	2.6
275.06009	8.5
283.56781	1.1
286.07736	1.5
293.01923	1.3
293.07178	4.4
305.02090	1.1
305.07117	2.9
305.10837	10.4
323.11993	1.1
333.01407	0.8
333.05087	1.2
334.48102	0.7
365.10602	100.0
366.10785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.7
66.62466	0.4
70.24074	1.8
81.03400	0.5
98.97564	0.7
99.93451	0.4
101.00898	0.4
116.98616	1.0
119.01901	2.2
131.01894	1.2
137.01752	0.5
143.01956	0.9
145.03458	0.7
155.01880	0.5
160.97513	0.5
161.02924	1.7
165.00645	0.4
173.02983	1.6
185.02963	1.2
185.04222	16.9
186.04596	0.5
187.04526	0.4
188.97107	0.6
189.00632	0.4
197.02904	1.0
197.10031	0.4
202.98689	0.9
203.05264	37.7
204.05632	0.4
215.04062	0.7
230.98103	0.7
245.05051	5.5
257.05194	0.4
263.00797	1.0
263.06110	0.8
270.84766	0.4
365.10510	100.0
366.11020	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71657	1.2
56.96563	30.0
57.03421	2.2
57.08369	1.2
61.02922	2.2
69.03423	3.7
70.06583	2.8
70.22227	5.6
71.04964	1.2
72.49266	1.3
73.02914	3.0
74.06068	3.7
74.97612	6.1
78.76775	1.2
81.03407	2.4
84.96004	3.4
85.02906	9.3
85.06532	3.5
87.04468	2.0
88.99146	1.7
91.05461	2.6
94.66241	1.2
97.02908	6.7
98.97569	24.8
101.00863	2.5
110.97543	2.8
112.99183	1.4
113.03496	3.2
115.00719	2.5
116.98611	19.6
119.00114	1.3
119.01910	14.2
119.04919	2.8
123.50235	1.2
127.03941	3.1
128.97594	1.4
128.98564	6.9
129.03949	1.6
131.00186	1.7
131.01892	13.3
131.05540	5.4
132.02094	1.2
133.01712	4.5
133.03439	7.0
134.99646	9.5
137.02962	3.1
143.00159	2.9
143.01898	3.5
145.01729	2.4
145.03555	6.7
145.04985	1.5
145.99724	1.3
146.99678	8.6
147.04257	12.0
149.01239	3.1
149.02898	3.6
149.06598	16.1
151.02744	1.8
153.00665	1.6
155.01906	6.5
157.03445	3.5
158.99660	4.4
159.05055	3.2
160.97614	1.7
161.01241	4.8
161.02881	6.3
161.06587	10.3
162.99200	1.6
163.03955	4.7
165.00722	3.1
167.05569	1.4
170.99644	3.3
171.05023	2.5
173.01358	3.2
173.02966	15.4
173.06580	12.6
175.04543	3.5
177.00720	8.1
177.02187	1.5
179.02243	6.4
179.07674	5.1
185.02933	4.1
185.04388	2.0
185.06609	9.6
187.04555	1.9
187.08134	3.0
188.97084	3.7
189.00731	4.6
189.06087	3.2
190.98538	2.0
191.02286	2.8
191.03973	2.4
191.07573	3.3
193.00142	1.4
195.01918	1.8
197.03242	7.2
197.06458	2.6
201.00743	1.9
202.98578	1.7
203.02197	3.5
203.03986	4.7
203.05551	4.1
203.07600	25.2
206.98111	3.8
207.01746	2.9
208.99640	1.5
209.06519	2.2
215.07628	26.0
216.07991	1.7
217.09201	4.7
219.01701	7.1
219.13379	4.5
220.99767	2.2
221.03214	7.3
221.05080	16.9
223.04630	1.9
227.07623	3.2
230.98158	3.6
237.02748	19.0
237.04745	1.6
239.04216	2.2
239.07602	4.8
245.05200	6.6
245.08734	2.6
247.04654	1.9
247.06808	2.0
248.99203	4.1
255.11186	1.3
257.03174	1.8
257.08636	4.5
261.02704	2.1
261.08429	2.6
262.05731	2.5
263.00684	4.6
263.03677	2.9
263.06305	2.4
265.07748	1.5
267.00189	3.7
275.09833	9.4
279.03827	2.9
279.09183	4.8
281.01678	1.7
281.05264	1.6
285.05139	1.4
287.09726	5.4
305.05304	5.5
305.10785	100.0
306.11035	5.8
321.68857	3.0
323.06635	7.8
323.11765	35.2
346.12970	1.5
347.11575	2.9
365.12732	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	365.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02445	0.6
55.01863	0.9
57.03390	0.5
58.49413	0.5
71.34517	0.8
71.34857	0.5
74.69476	0.6
80.28675	0.6
81.07096	0.6
95.04952	0.7
96.04471	0.7
97.06532	0.5
98.06059	1.1
120.04482	1.1
122.06027	1.8
124.03937	0.7
138.05493	1.7
140.07080	1.5
144.77837	0.6
147.09132	0.9
148.03911	1.4
148.07542	3.2
156.06561	0.7
158.06010	0.8
160.07602	1.1
161.07042	0.6
166.04979	4.6
168.06514	1.4
171.07883	0.6
171.09209	1.1
172.07538	2.6
174.09184	2.9
175.08658	4.4
176.07054	8.1
185.07140	0.7
185.10751	1.2
186.05478	0.9
186.09166	1.3
189.06636	0.9
189.10249	3.1
190.08621	2.3
191.11818	0.8
194.04311	0.7
194.08145	0.8
196.07671	1.0
198.07652	1.3
199.08624	5.5
200.07054	3.5
201.10217	1.0
202.08646	2.1
203.05289	0.9
203.08133	17.6
204.06564	0.7
207.11316	0.7
213.06718	0.7
213.10201	3.8
214.08621	2.4
216.10226	1.6
217.06390	1.0
217.09752	13.2
218.08134	1.3
218.10107	1.0
222.07446	0.6
223.08606	1.2
224.07047	1.3
227.08174	11.2
228.06537	2.2
228.08768	1.5
229.09755	1.5
231.07533	0.6
231.11322	1.5
235.10780	3.2
241.09714	7.9
242.08104	3.9
244.09680	1.5
245.09206	44.5
246.07449	1.4
246.09567	2.1
247.10753	2.5
250.07047	1.7
259.10797	9.6
260.08997	0.7
263.10248	25.7
264.10547	1.1
269.09177	4.3
271.10730	1.2
273.08606	3.8
277.11877	1.6
287.10226	20.5
289.11734	1.8
291.09689	6.2
297.08652	1.0
305.11282	75.0
306.11639	3.4
315.09451	2.6
323.12326	21.5
324.12698	0.8
333.10791	12.3
347.12289	1.1
365.13373	100.0
366.13687	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.8
55.05510	10.8
56.96289	3.9
56.96558	58.0
57.03423	5.1
60.02040	1.7
61.02915	3.4
67.05498	16.3
69.03409	7.2
69.07064	13.8
69.36478	20.1
71.95239	3.8
79.05479	13.3
81.03414	2.8
81.07047	20.8
83.04959	4.2
83.08622	3.8
91.05473	11.8
93.07020	13.3
95.04955	5.2
95.08586	7.3
97.02857	5.3
97.06529	3.6
105.07025	8.7
107.04923	6.3
107.08555	9.2
109.06493	7.7
109.10136	8.4
115.00687	3.0
117.07006	3.6
119.08550	6.7
121.10109	6.0
123.08058	2.3
125.09605	3.0
125.45155	1.7
128.06146	1.8
129.06952	1.9
131.08557	6.9
133.01723	4.2
133.10097	7.2
135.08061	4.4
137.09596	2.6
145.01706	2.4
145.10120	5.0
146.99609	3.0
147.03265	4.0
147.08055	3.8
147.11662	2.4
151.11073	2.7
157.10100	3.1
159.03252	3.2
159.11711	4.0
161.09587	2.9
169.05280	2.0
169.12230	2.3
171.03311	3.3
171.11530	2.3
181.51680	1.8
185.04874	4.4
189.04263	3.2
199.06419	8.2
203.05843	6.2
211.06415	5.6
213.07979	3.0
217.07460	25.4
223.13248	6.4
226.07544	2.0
227.09319	2.4
229.07443	4.6
231.08975	7.0
240.08784	2.0
243.08978	3.2
245.10696	6.0
251.09531	10.1
255.09013	14.0
269.10574	97.8
270.11017	2.4
273.10062	15.0
273.18491	14.9
277.34061	1.9
278.10452	2.2
284.13312	2.0
285.10010	5.1
287.11646	63.5
291.19540	27.4
292.12082	14.6
295.12042	2.9
310.13123	3.1
352.95615	2.3
365.16855	100.0
365.23172	18.7
365.27820	3.0
366.17303	5.7
383.17349	65.9
384.17633	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01866	4.1
55.05511	15.4
56.96285	5.3
56.96556	61.5
57.03426	9.8
57.07074	2.9
62.56504	2.1
67.05495	26.3
69.03417	8.6
69.07059	20.7
70.22783	8.5
71.04971	2.3
71.95257	5.7
74.06287	2.6
78.94126	2.1
79.05483	23.6
81.03397	7.5
81.07049	36.6
83.04975	5.3
83.08611	5.4
84.89621	2.2
85.02951	2.9
91.05473	19.3
93.07042	20.2
95.04951	9.7
95.08604	13.3
97.02879	6.4
97.06550	2.7
97.10143	8.1
105.07011	12.7
107.04945	6.8
107.08591	15.1
109.06493	14.2
109.07145	2.3
109.10134	7.4
111.08039	4.1
117.07011	7.5
119.08544	19.6
121.06469	5.3
121.10155	7.8
123.01196	2.7
123.08057	6.2
125.09615	6.2
129.06947	4.7
131.08560	10.3
133.01796	2.8
133.06503	5.1
133.10098	12.3
135.08040	9.0
135.11668	4.7
139.27005	2.4
143.08533	4.9
145.06435	2.8
145.10103	12.7
147.03226	3.5
147.08005	5.2
147.11649	3.8
149.09608	6.0
149.13261	3.6
151.11133	2.3
157.10101	3.5
159.08009	3.2
159.11684	5.2
161.09622	7.5
163.11131	5.1
169.01671	3.3
171.03250	2.3
171.11664	3.1
173.04799	4.1
173.09624	3.1
173.13257	3.2
175.11211	2.9
177.12686	2.2
180.81567	2.3
187.14804	6.6
189.11119	5.4
199.06432	8.0
201.16371	3.9
203.05910	5.1
211.06339	4.3
213.07974	3.4
217.07455	19.8
223.13338	10.0
227.09366	3.3
229.07449	4.0
231.09081	5.3
243.09050	3.9
245.10469	4.3
245.18945	3.2
251.09628	8.9
255.09027	12.9
255.17432	3.3
267.08994	4.5
269.10556	100.0
269.13443	5.4
273.10056	14.5
273.18439	31.1
285.10019	6.4
287.11612	50.3
291.19449	27.9
292.12131	11.3
310.13498	3.6
317.57980	2.6
347.22244	2.7
365.16922	98.2
365.23254	26.8
365.28052	9.7
374.89212	2.6
383.17365	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01860	2.8
55.05506	3.3
56.96566	0.4
57.03428	2.6
58.03014	0.4
67.05495	9.0
69.03409	1.2
69.07052	1.9
70.92256	0.5
70.92597	1.4
71.04977	1.2
79.05476	8.0
81.03390	1.4
81.07045	16.7
83.04962	4.3
83.08621	1.8
85.02891	1.9
91.05460	5.8
93.07034	7.3
95.04940	2.6
95.08600	3.4
97.06516	1.5
97.10167	1.3
99.04444	1.2
105.07026	4.4
107.04924	2.1
107.08581	3.9
109.06503	6.3
109.10131	3.6
111.04433	5.5
111.08057	1.9
116.98616	0.5
117.07004	2.6
119.08576	5.1
121.06501	1.2
121.10173	2.8
121.11009	0.6
123.08069	2.2
125.09637	1.1
129.07004	1.5
131.08530	2.5
133.06470	0.5
133.10101	3.6
135.08057	1.4
135.11710	2.3
137.09587	1.0
143.08537	1.5
145.10101	3.6
147.08029	1.7
147.11678	0.8
149.09628	1.3
151.11176	1.3
153.12704	1.5
157.10126	0.8
159.07970	0.7
159.11728	0.7
161.09607	1.7
163.11172	2.8
165.09131	1.5
171.11740	0.7
173.09624	0.9
175.11211	0.6
177.09093	0.5
181.06065	0.5
181.12193	2.4
189.11255	1.4
191.10649	1.4
223.13243	1.1
227.12796	0.7
227.17970	0.6
233.12161	0.5
245.18945	0.6
249.14754	1.6
253.14360	1.9
255.17548	0.9
267.14447	1.5
273.18463	7.3
283.15460	0.5
283.44965	0.5
285.15329	1.1
291.19525	14.2
318.19626	0.4
333.19180	1.2
347.22153	1.4
365.22952	100.0
366.23193	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03156	0.8
53.03936	2.1
55.01873	7.4
55.05505	28.9
57.03432	9.4
59.04979	1.3
59.18184	0.8
63.03317	0.8
65.03931	0.8
67.05498	31.7
68.36910	0.7
69.03422	12.7
69.07060	41.4
70.02176	4.3
71.04974	3.6
78.55141	1.0
79.05484	28.2
79.05959	1.6
81.03390	5.5
81.07047	22.0
83.04961	5.0
83.08607	11.1
85.02905	1.2
85.06519	1.2
91.05468	14.4
93.07036	18.7
95.01308	0.8
95.04958	9.6
95.08591	12.1
96.45042	0.8
96.90924	0.8
97.02878	17.7
97.06516	3.8
97.10165	14.8
98.21114	2.3
105.07011	10.5
107.04942	6.9
107.08578	14.2
108.78072	0.8
109.06489	4.7
109.10145	10.8
111.04461	0.9
111.08067	2.5
115.05450	1.6
117.07005	6.8
119.04915	1.1
119.08558	11.4
121.06484	3.4
121.10117	5.3
121.93865	0.7
123.08037	3.8
125.09617	13.6
129.07004	2.8
131.08554	7.6
133.06456	2.5
133.10112	6.2
135.08023	4.4
135.11700	3.3
137.09598	3.4
142.07677	0.9
143.08522	2.4
145.10126	5.9
147.08041	5.5
147.11656	2.7
149.09616	1.7
149.13249	1.7
153.09082	1.3
155.08533	1.0
157.10104	2.6
159.11656	3.2
161.09602	2.9
161.13202	1.1
163.11249	1.2
165.09065	1.8
171.11636	1.6
173.11693	1.3
175.11182	1.9
177.12770	2.2
185.13261	1.6
189.11177	8.7
189.12665	1.3
195.13779	2.3
198.72987	0.8
199.11183	0.8
205.12236	2.8
223.13257	27.2
224.13898	0.9
227.12752	1.8
227.17993	1.1
231.10791	1.1
245.19035	2.1
249.14803	1.4
255.17389	1.5
263.20029	1.7
267.09131	1.2
273.18454	14.7
284.12689	2.8
285.09988	2.5
291.19507	98.0
292.19885	2.4
347.22202	2.2
365.23077	100.0
366.23245	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.4
55.01869	17.7
55.05253	3.1
55.05500	41.0
55.23389	1.9
56.96545	4.6
57.03426	25.7
57.07053	5.6
65.03926	4.1
65.95168	2.1
67.05495	88.0
69.03400	8.7
69.07059	32.7
70.06578	3.3
70.42912	1.9
70.76791	5.5
71.04964	7.4
79.05482	62.2
79.64184	2.1
81.03413	14.3
81.07045	100.0
83.04957	19.9
83.08602	19.2
85.02908	3.3
85.06499	8.2
90.34025	1.8
91.05465	89.2
93.06468	3.8
93.07035	76.2
95.04961	23.0
95.08590	46.6
97.06526	11.5
97.10136	4.2
99.04417	2.7
105.04506	2.4
105.07017	80.8
107.04937	19.7
107.08580	62.7
109.06539	13.5
109.10139	57.1
111.04414	6.0
111.08093	9.9
113.05985	2.7
114.60684	2.0
115.05389	2.9
117.07023	17.9
119.08572	44.1
121.06506	12.6
121.10118	20.7
123.04384	3.2
123.08015	8.7
123.11678	12.0
125.05938	3.6
125.09559	2.6
127.03899	2.5
127.07499	3.9
128.06207	3.9
129.06984	13.0
131.08551	31.4
133.06468	13.4
133.10109	90.6
135.08051	18.6
135.11693	10.7
137.09581	7.6
137.13219	2.6
139.07492	5.7
141.06914	3.4
142.07744	3.3
143.08533	16.5
144.09404	2.0
145.09029	3.4
145.10104	31.9
147.07961	6.7
147.11655	15.9
149.05928	2.9
149.09573	16.5
149.13206	5.6
151.11159	50.6
154.07776	3.2
155.08485	6.1
156.09290	2.8
157.10059	16.6
159.07982	6.1
159.11646	22.6
159.73601	2.1
161.09564	14.0
161.13242	16.1
163.07507	5.5
163.11148	5.7
168.09299	3.5
169.10033	6.1
169.12239	12.1
171.11650	17.2
173.13206	14.5
175.11205	9.1
175.14748	3.1
177.09068	8.5
177.12671	2.9
179.08458	2.5
179.10600	3.8
179.14169	2.6
181.10065	6.8
183.11612	8.2
185.13223	10.4
186.13794	2.3
187.11125	4.7
187.14809	17.6
189.12668	5.4
191.14319	2.2
195.11652	5.7
195.13683	2.4
196.12456	2.3
196.43294	2.0
197.13120	5.3
199.11182	2.5
199.14738	4.9
201.12706	2.4
203.10571	2.9
205.12183	4.9
209.13211	5.5
211.14803	4.5
213.09102	3.0
213.16368	3.8
215.12663	5.3
215.17883	9.0
217.12160	5.3
221.13199	2.4
223.14772	4.4
223.99155	1.9
227.17842	6.2
227.24342	2.1
231.13928	2.1
235.14822	3.8
237.16354	3.7
243.13503	2.6
245.19014	15.1
249.16373	3.8
251.17714	2.5
253.14323	59.7
255.17307	5.2
257.15231	5.2
263.17661	2.9
263.20078	9.3
267.08948	2.9
269.10513	5.3
269.13641	3.8
273.18497	41.8
281.15387	2.5
285.10016	3.9
291.16446	3.3
291.19482	34.7
303.29599	3.0
309.20865	2.3
317.12460	2.3
319.24231	11.9
321.25363	2.0
347.22134	9.1
365.15894	4.7
365.23636	95.5
365.32959	15.3
366.23846	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	365.231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03156	0.8
53.03936	2.1
55.01873	7.4
55.05505	28.9
57.03432	9.4
59.04979	1.3
59.18184	0.8
63.03317	0.8
65.03931	0.8
67.05498	31.7
68.36910	0.7
69.03422	12.7
69.07060	41.4
70.02176	4.3
71.04974	3.6
78.55141	1.0
79.05484	28.2
79.05959	1.6
81.03390	5.5
81.07047	22.0
83.04961	5.0
83.08607	11.1
85.02905	1.2
85.06519	1.2
91.05468	14.4
93.07036	18.7
95.01308	0.8
95.04958	9.6
95.08591	12.1
96.45042	0.8
96.90924	0.8
97.02878	17.7
97.06516	3.8
97.10165	14.8
98.21114	2.3
105.07011	10.5
107.04942	6.9
107.08578	14.2
108.78072	0.8
109.06489	4.7
109.10145	10.8
111.04461	0.9
111.08067	2.5
115.05450	1.6
117.07005	6.8
119.04915	1.1
119.08558	11.4
121.06484	3.4
121.10117	5.3
121.93865	0.7
123.08037	3.8
125.09617	13.6
129.07004	2.8
131.08554	7.6
133.06456	2.5
133.10112	6.2
135.08023	4.4
135.11700	3.3
137.09598	3.4
142.07677	0.9
143.08522	2.4
145.10126	5.9
147.08041	5.5
147.11656	2.7
149.09616	1.7
149.13249	1.7
153.09082	1.3
155.08533	1.0
157.10104	2.6
159.11656	3.2
161.09602	2.9
161.13202	1.1
163.11249	1.2
165.09065	1.8
171.11636	1.6
173.11693	1.3
175.11182	1.9
177.12770	2.2
185.13261	1.6
189.11177	8.7
189.12665	1.3
195.13779	2.3
198.72987	0.8
199.11183	0.8
205.12236	2.8
223.13257	27.2
224.13898	0.9
227.12752	1.8
227.17993	1.1
231.10791	1.1
245.19035	2.1
249.14803	1.4
255.17389	1.5
263.20029	1.7
267.09131	1.2
273.18454	14.7
284.12689	2.8
285.09988	2.5
291.19507	98.0
292.19885	2.4
347.22202	2.2
365.23077	100.0
366.23245	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.5
53.03936	2.5
53.58904	0.5
54.93615	0.5
55.01864	7.7
55.05506	28.9
56.96557	12.3
57.03429	11.4
57.07073	1.2
59.05000	1.0
61.02917	2.6
62.07011	0.5
65.03942	1.0
67.05497	39.7
68.05831	0.6
69.03424	13.5
69.07061	43.5
71.01343	0.6
71.04984	2.7
71.62128	0.9
71.62487	0.6
71.95277	0.9
73.02913	1.9
75.44981	0.6
79.05483	36.1
81.03410	6.5
81.07047	47.4
82.07385	0.7
83.04977	6.0
83.08614	11.2
84.08935	0.5
85.02903	2.5
85.06544	1.8
91.03958	1.5
91.05468	20.8
92.05823	0.7
93.03381	0.7
93.06453	1.3
93.07030	22.5
95.01318	0.6
95.04961	12.3
95.08140	0.4
95.08594	15.9
97.02882	17.0
97.06508	4.0
97.10156	16.8
98.97607	1.1
99.19537	0.5
104.06215	0.6
105.07021	16.5
107.04940	9.5
107.08578	16.3
109.02883	1.1
109.06508	25.0
109.10144	10.4
111.04462	1.3
111.08038	3.1
115.00653	0.6
115.05453	1.2
117.07001	9.0
119.04992	0.8
119.08566	14.7
120.08934	0.5
121.06493	4.3
121.10133	7.8
123.04440	1.5
123.08051	5.1
123.11708	1.2
125.09622	12.4
127.03900	0.9
127.94209	0.5
128.06198	1.6
129.05443	0.9
129.06943	3.9
130.07777	1.3
131.04869	0.8
131.08554	9.5
133.06500	3.0
133.10118	7.3
135.08057	6.6
135.11667	4.6
137.02776	0.8
137.09630	4.5
141.02246	0.8
141.06938	0.8
142.07698	0.9
143.08530	3.5
145.01651	0.6
145.06453	1.3
145.10100	7.7
146.99562	0.6
147.03246	0.8
147.08014	7.4
147.11674	3.9
148.56329	0.5
149.09602	4.0
149.13290	2.5
151.04321	0.7
151.07524	0.7
151.11188	1.5
153.09068	1.5
155.03648	0.6
155.08488	1.2
157.10095	3.4
159.03258	0.8
159.08049	1.4
159.11661	3.7
161.03009	0.6
161.09598	5.2
161.13229	1.9
162.10358	0.6
163.11191	4.0
165.09053	3.0
165.12784	1.1
169.10156	0.9
171.10219	1.2
171.11693	2.3
173.09645	1.0
173.11772	1.3
173.13293	1.3
175.11180	2.2
175.14919	0.7
177.09137	1.1
177.12746	2.1
178.10342	0.5
179.10698	1.5
183.10153	0.9
185.09552	0.9
185.13231	1.5
187.11113	1.1
187.14813	0.8
189.11215	6.2
189.12779	1.4
191.10564	0.7
193.12221	1.5
195.11746	0.9
195.13795	2.0
199.06465	1.3
199.14803	0.9
203.05838	1.3
203.10916	1.3
205.12186	3.9
209.13182	0.7
211.06190	0.7
213.07999	1.5
213.14676	0.8
213.98619	0.5
217.07445	4.6
223.13248	28.7
224.13614	0.8
225.08005	0.9
227.12769	1.7
227.17892	1.1
229.07477	0.9
231.08946	1.7
237.16437	0.9
241.07436	0.6
243.09239	0.9
245.19026	2.3
249.14893	1.1
251.09642	1.5
255.08989	3.6
255.17482	2.0
263.20044	2.3
267.08954	0.9
269.10538	14.6
270.10880	0.8
273.10220	3.2
273.18488	19.4
284.13464	5.4
284.63492	2.1
285.10080	2.0
287.11588	8.2
288.11978	0.7
291.19507	100.0
292.12143	2.3
292.19757	3.2
296.11618	0.9
309.20575	0.7
331.17477	0.6
347.15375	1.2
347.22141	5.5
349.18433	0.7
365.15936	10.9
365.19281	2.8
365.23184	52.1
365.65265	0.6
366.16473	0.8
366.23523	2.2
383.17401	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01857	4.2
55.05260	1.6
55.05505	26.1
57.03434	8.8
59.04983	1.0
65.03916	1.0
67.05495	30.1
69.03419	11.9
69.07063	36.4
71.04998	1.3
79.05484	25.3
81.03407	6.7
81.07049	21.1
83.04994	4.4
83.08613	9.1
85.06538	1.0
91.05468	12.1
93.07033	17.6
95.04964	8.3
95.08584	12.0
97.02885	14.7
97.06516	2.8
97.10155	16.1
103.03900	1.0
105.07019	10.8
107.04947	7.5
107.08589	14.9
109.02872	0.9
109.06493	3.0
109.10142	10.0
111.08053	3.3
117.06992	6.3
119.08562	11.0
121.06481	2.0
121.10118	5.6
123.04424	1.1
123.08059	3.7
125.09618	13.7
129.06982	2.9
131.08525	5.7
133.06482	1.8
133.10088	4.9
135.08037	5.3
135.11690	2.4
137.09570	2.8
143.08540	3.4
145.10107	5.0
147.08044	5.1
147.11652	2.5
149.09644	1.6
149.13219	2.4
153.09070	1.5
155.08498	1.2
157.10085	1.7
159.11678	3.0
161.09624	2.4
163.11157	2.2
165.09096	2.3
167.14313	0.8
169.10164	1.2
171.10143	1.2
173.09663	0.9
173.13191	0.9
175.11142	2.1
177.12769	2.1
179.10577	1.0
185.13165	0.9
189.11215	10.0
189.12720	1.4
193.12239	1.2
195.13731	1.7
199.11217	1.1
205.12228	3.3
223.11093	1.7
223.13268	32.0
227.12791	1.9
227.17943	1.8
245.18977	1.4
255.17497	2.0
263.20035	2.2
273.18430	12.1
291.19501	100.0
292.19943	2.2
347.13007	1.6
347.22183	1.1
365.23196	54.7
366.23526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12052	1.4
53.03938	2.6
55.01863	10.5
55.05299	1.5
55.05507	17.5
56.96559	9.2
57.03429	52.7
57.06245	1.2
57.07063	4.3
59.04984	1.3
65.03941	4.7
67.05495	64.6
69.03428	7.2
69.07058	31.2
69.55086	11.5
71.04980	5.8
71.23395	1.5
73.02898	1.7
73.37701	1.3
78.19751	1.2
79.05485	30.3
81.03412	5.5
81.07044	34.6
83.04977	3.3
83.08631	6.8
85.02870	1.8
85.06532	38.0
91.05470	27.9
93.07032	28.7
95.01270	1.6
95.04955	65.5
95.08595	19.5
97.02877	7.8
97.06517	4.3
97.10149	6.6
98.20769	2.4
98.97572	4.1
99.04456	1.8
105.07014	22.0
107.04945	12.0
107.08583	23.8
109.06505	50.5
109.10152	11.1
111.04395	2.0
111.08067	4.5
113.05991	100.0
116.98634	2.3
117.07012	12.2
119.08573	16.8
121.06506	6.3
121.10137	10.8
123.08061	5.7
123.10656	1.4
123.11664	1.9
125.05985	1.9
125.09616	7.3
128.06226	2.0
128.98563	1.7
129.06989	8.1
131.00153	2.4
131.08549	19.6
133.06468	1.9
133.10110	14.6
135.08029	32.7
135.08971	2.6
135.11714	11.4
137.05836	2.3
137.09618	2.4
143.08539	7.8
145.10101	12.0
147.08015	6.7
147.11681	7.6
149.01218	3.3
149.09608	5.0
149.13240	5.3
157.10130	8.5
158.99586	1.8
159.11656	8.6
161.09567	6.9
161.13235	2.5
163.11121	3.5
165.09126	3.3
171.11655	4.5
173.13258	4.7
175.11206	3.1
177.00702	2.8
177.12755	3.2
181.10129	2.3
183.11703	3.3
185.09662	1.6
185.13266	3.2
187.11116	1.3
187.14792	1.8
188.80443	1.3
189.00719	2.3
189.11191	3.7
189.12726	2.0
189.16338	3.3
193.12300	1.5
195.11755	1.8
195.13652	1.9
199.14833	3.5
201.12766	3.2
205.08374	10.5
217.15884	12.5
219.13799	1.7
223.13235	8.4
231.08951	4.3
233.15428	2.1
237.16568	1.5
245.18967	1.7
251.09773	1.8
255.17467	4.3
263.12512	5.6
263.20303	1.5
267.09064	1.5
269.10547	12.0
273.10104	2.5
273.18448	34.3
277.21640	3.3
285.10141	3.2
287.11649	8.7
291.19504	81.0
292.12180	3.9
292.19916	2.4
293.05365	2.4
321.04688	2.1
347.22244	3.5
353.11963	1.5
357.15640	2.8
365.19153	19.6
365.23160	60.2
365.27924	2.6
366.23520	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65292	1.5
53.03945	3.5
55.01869	14.2
55.05506	19.7
56.86794	1.4
56.96553	9.8
57.03436	24.8
61.02901	5.0
65.03923	3.1
67.05160	2.9
67.05499	43.9
69.03410	7.0
69.07050	13.3
70.06608	1.5
70.29913	3.7
70.30310	3.6
71.04977	8.2
73.02917	2.8
79.05045	3.4
79.05486	48.0
81.03412	15.9
81.07050	100.0
83.04969	26.8
83.08624	11.3
85.02405	2.6
85.02887	21.0
85.06506	9.6
91.03928	2.6
91.05466	31.4
93.07036	43.9
95.04951	30.4
95.08601	26.5
97.02870	4.6
97.06496	8.6
97.10165	11.5
98.97551	4.1
99.04441	7.9
99.08121	2.7
105.04487	2.3
105.07029	30.4
107.04929	12.1
107.08590	25.4
109.06508	50.6
109.10143	15.8
111.04441	30.5
111.08096	8.8
113.05996	17.4
115.05464	2.8
116.06285	2.4
116.98624	6.6
117.06996	14.8
119.08567	43.3
121.06494	11.0
121.10127	21.1
123.08067	13.8
123.11703	4.1
125.06010	2.7
125.09586	8.3
127.03850	2.1
128.06253	1.7
129.05475	3.1
129.06998	11.7
130.07745	2.1
131.08557	18.3
133.06508	4.9
133.10138	11.1
134.99655	5.8
135.08044	19.9
135.11673	14.3
137.05928	2.3
137.09587	7.0
143.08557	11.3
145.06483	2.1
145.10103	22.9
147.08044	15.1
147.11668	8.4
149.01234	1.8
149.09628	7.5
149.13231	3.9
151.11176	3.7
153.12709	9.1
155.08551	4.2
157.10072	9.2
159.08078	3.9
159.11638	10.1
161.09610	13.7
161.13231	5.1
163.11182	20.2
165.09087	11.1
169.10178	2.0
171.11679	6.9
173.09578	5.3
173.13274	6.5
175.11198	5.1
175.14796	1.9
177.00720	7.5
177.09108	1.7
177.12733	1.9
179.14166	2.4
181.12210	14.2
183.11757	2.6
185.13182	5.4
187.11171	2.9
187.14728	2.7
189.11215	5.3
189.12801	2.5
191.10674	9.7
193.12233	5.3
195.11679	2.4
197.13240	1.8
199.11139	2.2
199.14842	4.3
200.02365	3.5
203.05586	1.8
203.14114	2.5
209.13290	3.0
211.13194	4.4
211.14931	2.8
217.15770	3.8
223.13277	6.8
227.12747	7.9
227.17944	4.1
229.14180	1.9
237.16438	3.5
243.09001	3.5
245.18999	6.0
249.14934	6.0
251.11230	3.6
255.17422	6.7
267.09064	7.2
267.15961	3.0
269.12329	22.2
273.10065	2.4
273.18481	49.5
279.09109	1.9
285.10077	15.6
285.14209	4.3
286.10254	2.7
291.19519	83.6
292.13788	2.0
292.19757	4.0
320.24588	2.1
325.72543	2.1
329.13959	1.9
329.21136	1.9
347.22183	7.1
365.15411	2.9
365.19183	11.0
365.23138	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.3
55.01867	9.4
55.05259	1.9
55.05502	28.2
57.03431	17.0
57.07048	1.5
59.04978	1.8
65.03940	1.3
67.05497	38.2
69.03424	12.0
69.07058	52.7
69.64471	4.9
69.64878	2.8
70.95818	1.4
71.04978	3.1
72.93770	1.7
77.15372	1.0
79.05484	33.1
81.03414	8.4
81.07048	34.8
81.70498	1.2
83.04975	6.1
83.08607	11.2
85.02885	1.8
85.06534	1.5
90.94836	1.2
91.05467	21.2
93.07034	25.1
95.04954	11.5
95.08596	16.6
97.02881	11.8
97.06525	6.9
97.10155	18.5
97.52492	1.3
98.21233	4.4
105.07017	18.4
107.04939	8.3
107.08574	20.6
109.02868	1.4
109.06483	7.6
109.10149	12.5
111.04471	1.5
111.08056	4.7
115.05426	1.4
117.06998	8.4
119.04915	1.4
119.08566	16.7
121.06480	6.0
121.10124	8.4
123.08041	8.7
123.11723	2.5
125.05930	1.8
125.09625	15.7
129.06982	3.7
131.08568	9.6
133.06497	3.0
133.10104	11.1
135.08047	7.3
135.11667	5.2
137.09618	5.3
143.08537	5.0
145.10112	7.7
147.08025	6.6
147.11671	5.8
149.09579	5.9
149.13229	4.0
151.11177	3.0
153.09059	2.0
153.12718	1.6
157.10088	4.1
159.07980	1.7
159.11670	4.2
161.09604	4.3
161.13269	1.3
163.11201	4.2
165.09108	5.3
169.12207	1.8
171.10130	1.7
171.11642	3.0
173.13167	2.2
175.11157	3.7
177.12659	1.9
179.10649	1.2
185.13193	2.1
189.11201	12.2
193.12244	2.6
195.13785	3.5
203.78244	1.4
205.12213	3.4
223.13248	20.9
227.12648	2.3
245.18962	4.1
249.14668	1.5
255.17342	2.7
259.06223	4.3
263.20148	3.1
271.06137	1.8
273.18472	24.5
291.19501	100.0
292.19861	3.2
294.07855	1.2
347.12982	11.0
347.22214	2.9
365.14041	3.3
365.23169	76.1
365.33069	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
53.03933	5.8
54.61763	1.4
55.01859	16.1
55.05257	2.4
55.05504	30.1
56.29806	1.4
56.96549	4.4
57.03429	19.6
59.04985	1.3
65.03928	2.9
67.05495	74.2
69.03415	12.2
69.07059	41.2
71.01322	1.9
71.04971	5.0
71.61418	2.4
75.01067	1.5
79.05481	59.7
79.85818	1.4
80.75487	1.4
81.03413	13.5
81.07043	69.0
83.04967	14.3
83.08615	12.4
84.24954	1.6
85.06523	5.6
87.26518	1.4
91.05466	62.4
93.07034	52.4
95.04958	19.7
95.08595	35.3
97.02856	11.9
97.06511	9.3
97.10155	12.0
105.07014	51.3
106.74477	1.5
107.04942	19.2
107.08578	40.9
109.06500	11.6
109.10139	39.0
111.04438	3.3
111.08051	8.3
115.05477	2.0
117.06990	15.0
119.08559	24.0
121.06493	11.0
121.10126	15.3
123.04391	2.3
123.08063	8.6
123.11691	8.4
125.09602	9.3
128.06186	2.3
129.05412	1.6
129.06989	6.0
131.07681	2.3
131.08548	22.0
133.06479	12.0
133.10114	56.5
135.08032	17.2
135.11674	7.4
137.06001	2.7
137.09604	7.1
139.07523	3.1
139.11084	1.6
142.07768	3.7
143.08588	8.9
145.06496	1.5
145.10089	13.8
147.08026	9.0
147.10655	1.6
147.11668	10.6
149.09619	18.9
149.13258	3.5
149.22871	1.4
151.11165	33.5
153.09102	1.5
157.10094	8.3
159.08015	5.2
159.11679	8.9
161.09576	13.6
161.13194	4.8
163.11136	5.7
165.09085	3.4
165.12645	1.9
169.10054	3.0
169.12196	6.3
171.11632	5.1
173.09529	1.8
173.11763	2.1
173.13187	3.6
173.56520	1.6
175.11177	6.0
175.14732	2.7
177.09068	9.0
177.12727	3.2
179.10658	2.4
181.10110	2.4
185.13281	3.3
187.14835	2.6
189.11203	5.4
189.12747	4.6
193.12178	3.3
195.10130	1.7
195.13747	2.0
199.11182	1.7
199.14967	1.9
203.05083	2.2
205.12178	2.1
213.12830	1.6
213.16240	3.3
215.12762	5.2
217.12186	2.0
221.15353	2.0
223.13240	17.9
227.12607	2.3
227.17911	2.7
245.18971	13.0
251.12817	2.8
253.14302	24.8
255.17409	3.9
263.19974	9.5
269.13718	7.1
273.18454	48.3
277.19461	3.1
291.19489	74.3
292.20010	1.9
309.20471	2.6
321.24030	1.9
347.22003	5.4
347.26926	3.5
365.23175	100.0
365.27856	6.6
366.23364	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11609	1.7
53.03927	6.1
55.01865	19.2
55.05257	2.6
55.05505	33.4
56.96556	2.0
57.03177	2.5
57.03431	29.2
57.07063	4.3
59.04996	10.4
61.42373	1.3
65.03927	4.9
66.51527	1.3
67.05495	91.8
68.05825	1.7
69.03408	7.0
69.06712	2.3
69.07061	31.7
70.91576	1.6
70.91927	3.5
71.04992	7.2
73.06509	1.5
79.05483	68.6
80.05779	1.4
81.03404	13.6
81.07043	100.0
82.07375	2.6
83.01326	3.2
83.04971	22.9
83.08604	12.1
85.02910	1.6
85.06527	9.0
91.05468	83.9
93.07030	74.6
95.01328	1.8
95.04956	26.3
95.08592	41.3
97.02882	3.5
97.06500	10.0
97.10152	3.7
98.02178	1.4
98.20828	2.0
99.04410	2.3
99.08064	3.6
105.07015	72.5
107.04942	22.2
107.08578	55.1
109.02840	1.8
109.06490	20.4
109.10143	52.1
111.04435	5.4
111.08056	10.9
113.05941	2.2
115.05445	3.1
116.06268	1.5
117.07012	15.4
119.04964	1.5
119.08570	29.1
121.06480	11.9
121.10126	19.7
123.04401	2.1
123.08033	9.3
123.11687	8.4
125.05971	2.9
125.09599	3.6
127.07553	2.7
128.06226	3.9
129.06976	8.9
131.04922	2.0
131.08546	30.1
133.06482	17.3
133.10112	96.3
134.10445	2.0
135.08023	19.9
135.11652	9.8
137.05927	2.0
137.09593	6.9
139.07533	5.5
139.11108	1.6
141.06940	2.5
142.07735	2.9
143.08533	10.2
145.06458	2.0
145.10104	15.0
147.08069	7.2
147.11630	10.3
149.09612	21.2
149.13258	4.1
151.11163	52.3
153.12779	2.4
155.08553	2.1
157.10109	6.7
159.08017	7.8
159.11667	8.8
161.09586	15.9
161.13280	3.2
163.07541	1.7
163.11157	6.2
165.12738	2.3
167.10617	2.1
169.10027	2.2
169.12247	10.5
171.11682	8.5
173.09595	2.3
173.13261	6.1
175.11101	9.2
175.14799	2.9
177.09085	10.9
177.12711	3.4
179.10641	6.5
181.12201	2.3
183.11612	3.2
185.09567	1.8
185.13214	5.0
187.11145	3.2
187.14790	5.2
189.12738	4.4
195.10158	2.1
195.11737	2.1
197.11682	2.1
199.11156	4.0
201.16260	4.3
201.18039	1.8
203.14308	3.3
207.13780	2.7
211.14781	2.0
213.12735	2.3
215.12756	5.2
219.13841	1.9
223.13304	2.9
224.51028	1.6
245.18982	12.8
251.12752	4.2
253.14336	66.8
255.17365	5.6
263.20056	10.8
269.13852	8.0
273.18445	45.2
291.19485	37.1
309.20724	2.3
316.36646	1.9
321.24039	1.8
347.22192	9.5
365.23221	82.4
365.28146	9.2
366.23779	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2467
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03928	3.1
55.01856	3.2
55.05508	14.3
56.96573	2.5
57.07061	6.6
58.76481	2.3
59.04982	3.5
67.05497	26.8
69.03423	5.4
69.07069	15.6
70.89242	5.5
70.89587	4.4
71.04980	2.5
79.05480	24.2
81.07047	36.1
83.04971	6.4
83.08613	10.1
85.06553	5.1
91.05470	34.3
93.07036	45.0
95.04963	27.5
95.08601	24.4
97.02902	3.2
97.06517	7.4
97.10162	3.3
105.07030	44.0
107.04937	2.7
107.08601	27.2
109.06510	10.5
109.10139	19.0
111.08128	2.8
115.05433	4.7
117.06996	11.8
119.08573	43.1
121.06527	3.7
121.10130	30.1
123.08055	8.5
123.11701	4.2
128.06239	4.8
129.06990	7.9
130.07800	2.8
131.08566	32.5
133.06546	2.9
133.10104	25.6
135.08047	11.4
135.11696	4.9
137.09653	2.5
141.06979	7.5
142.07750	14.0
143.08563	23.5
144.09311	6.3
145.10109	33.2
147.08055	5.6
147.11684	10.9
149.09596	9.5
151.11195	3.9
153.07007	2.8
155.08536	13.3
156.09325	5.9
157.10100	24.3
158.10892	6.5
159.11664	16.5
161.09639	8.9
161.13281	4.3
163.11244	3.3
167.08577	6.3
167.10687	3.0
168.09326	5.1
169.10124	13.5
169.42885	2.4
170.10919	4.6
171.11722	15.0
173.09628	6.0
173.13261	28.7
174.31262	2.7
175.11150	5.8
175.14822	7.0
177.12752	3.8
179.08533	6.7
180.09312	4.8
181.10130	11.3
182.10912	6.3
183.11668	18.5
184.12471	3.1
185.09674	4.7
185.13269	10.2
187.11192	5.3
187.14828	7.9
189.12759	6.0
191.14316	20.7
192.09256	3.3
193.10120	9.3
194.10869	6.6
195.11623	14.5
196.12473	3.9
197.13200	13.2
198.14070	4.7
199.11096	3.8
199.14804	5.4
201.12741	5.8
206.10951	7.3
207.11716	16.0
208.12483	8.9
209.13228	14.5
210.13972	3.2
211.11159	3.1
211.14772	6.9
213.12886	4.4
216.15181	2.8
217.10158	3.3
217.15616	3.8
219.11746	6.1
220.12511	5.0
221.13271	11.5
222.13983	2.6
223.11259	3.0
223.14821	10.0
225.12727	8.3
225.16420	4.2
227.14287	4.7
232.12466	4.2
233.13220	3.5
234.14099	4.9
235.14760	7.4
237.16327	6.1
239.18083	2.7
245.13266	4.1
247.14836	6.2
248.15596	3.9
249.16394	9.7
251.17967	3.4
253.15968	4.7
255.21292	2.6
263.17999	8.5
264.18591	3.5
265.15997	3.1
267.17334	4.8
269.19092	9.4
273.18546	6.8
281.19028	4.9
291.16910	4.0
291.19620	10.8
295.20575	3.3
297.18561	3.7
319.24084	4.4
329.22910	3.9
347.23599	18.4
347.27191	2.7
365.10632	7.1
365.24652	100.0
365.32184	6.4
366.24899	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.247
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03938	2.3
55.05494	9.4
55.05733	2.2
57.07066	5.2
59.04969	2.2
60.37329	1.9
65.03931	2.1
67.05495	24.5
69.03423	5.6
69.07055	13.9
69.49802	17.0
71.04984	2.1
74.31571	1.8
79.05489	17.2
81.07046	20.9
83.04984	5.1
85.06524	3.1
91.05462	23.7
93.07033	27.9
95.04953	36.6
95.08596	32.2
97.06527	2.7
97.10133	2.1
98.21013	8.5
98.21568	2.7
102.84171	2.0
103.05435	2.3
105.07014	32.2
107.04932	2.9
107.08594	27.9
107.86434	1.9
109.06505	11.9
109.10130	12.9
111.08089	2.4
112.22696	2.3
115.05424	2.4
117.07014	11.4
119.08557	31.7
121.06467	5.9
121.10110	11.3
123.08097	5.8
128.06186	5.0
129.06992	8.4
130.07753	3.1
131.08546	20.3
133.10120	20.0
135.08015	11.1
135.11691	7.8
141.06973	6.7
142.07750	8.5
143.08543	18.5
144.09323	5.9
145.10098	23.7
147.08038	4.7
147.11700	5.1
149.09637	3.8
149.13202	2.0
155.08557	12.9
156.09349	11.7
157.10133	23.6
158.10857	4.8
159.08083	4.0
159.11661	22.1
161.09598	7.4
161.13277	7.2
163.11285	2.8
165.06964	3.6
167.08586	8.0
168.09309	5.5
169.10124	13.9
170.10890	6.0
171.11652	22.2
172.12445	3.9
173.09572	6.9
173.13271	9.1
175.11218	7.4
179.08554	9.2
180.09297	4.0
181.10104	16.0
182.10895	5.5
183.11679	22.7
184.12398	3.8
185.13234	23.0
187.11177	12.1
187.14798	13.3
187.95691	2.3
189.12814	6.0
192.09242	2.4
193.10127	12.1
194.10902	7.1
195.11674	27.5
196.12466	7.3
197.13257	16.2
199.14841	6.4
201.12663	2.3
203.14296	5.2
205.15938	5.9
206.10909	5.8
207.11725	19.7
208.12483	9.1
209.09573	2.2
209.13213	19.7
210.14027	3.4
211.11130	3.1
211.14833	9.5
213.12743	11.6
217.10037	3.2
218.10876	2.6
219.11757	4.1
220.12430	3.5
221.13223	20.8
222.13976	6.1
223.14793	13.0
224.15602	2.7
225.12729	5.1
225.16418	4.3
229.15947	3.0
231.11806	2.8
232.12448	2.7
233.13313	7.5
234.14124	3.9
235.14688	10.1
236.15486	4.9
237.16353	8.3
238.17195	4.7
239.14381	3.1
239.17859	3.5
241.15909	3.9
245.13336	2.1
246.14038	2.1
247.14816	8.0
248.15414	3.5
249.16400	12.4
250.17018	2.1
251.17978	11.6
253.15887	4.0
255.17377	5.1
261.16357	3.7
263.17981	9.0
264.18665	4.5
265.15927	3.5
265.19489	4.5
267.17447	5.3
269.19012	5.5
273.16196	4.1
273.18762	3.9
274.16956	2.5
277.15848	4.8
277.19232	3.4
279.17511	2.5
281.18817	4.5
282.19775	3.2
289.19528	2.8
291.16837	3.1
291.20004	10.8
299.17819	2.8
309.18420	3.7
314.20407	2.8
319.20496	2.6
319.24075	4.3
329.22684	4.7
347.23685	38.9
348.24014	3.6
365.10507	5.8
365.24722	100.0
366.25186	9.2
379.08554	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.8
57.03415	2.5
57.07064	3.7
59.05008	1.8
63.59399	1.5
65.03921	1.8
67.05489	21.6
69.03425	4.1
69.07050	12.1
69.26207	1.7
71.62068	2.7
79.05476	11.3
81.07047	18.8
83.04969	3.6
83.08607	7.4
85.06557	4.1
88.34930	1.6
91.05466	18.9
93.07037	26.1
95.04955	30.4
95.08590	26.5
96.59969	1.6
97.06509	5.1
97.10159	2.3
97.40478	1.8
103.05432	2.7
105.07014	33.9
107.08582	20.8
109.06498	9.2
109.10147	12.0
115.05420	1.9
117.06973	8.6
119.08565	45.7
121.06466	4.6
121.10123	12.5
123.08076	6.0
123.11643	3.4
123.54279	1.6
125.09589	3.0
128.06226	5.7
129.06966	8.7
130.07790	4.8
131.08553	13.6
133.10133	16.3
135.08069	12.1
135.11673	4.5
137.09619	2.2
140.96739	1.7
141.06947	3.5
141.94308	2.2
142.07768	14.3
143.08533	25.9
144.09300	6.1
145.10104	23.7
147.08064	5.6
147.11639	6.7
149.09564	1.7
149.13257	2.9
151.07538	2.8
154.07790	1.7
155.08517	9.0
156.09337	15.5
157.10110	43.0
158.10837	3.2
159.08076	4.8
159.11670	23.6
161.09615	6.1
161.13245	5.7
163.11127	2.2
165.06967	3.7
166.07719	2.0
167.08588	5.3
168.09288	3.9
169.10117	15.5
170.10847	9.4
171.11678	18.6
172.08727	1.9
172.12436	3.6
173.09602	4.7
173.13286	6.7
175.11223	4.5
179.08537	7.1
180.09337	3.1
181.10158	8.9
182.10948	4.5
183.08072	1.9
183.10185	2.3
183.11688	18.4
185.09692	2.7
185.13248	41.4
187.11186	9.8
187.14806	12.2
189.12801	3.5
193.10101	10.5
194.10883	6.3
195.11671	17.2
196.12439	5.8
197.13239	15.5
198.13863	3.4
199.11183	5.2
199.14764	4.2
201.16374	2.1
203.14348	3.2
205.10086	2.0
205.15883	4.8
206.10843	4.3
207.11662	17.1
208.12476	7.7
209.13229	16.7
210.10379	2.1
210.13988	3.3
211.11189	3.0
211.14810	8.5
213.12645	8.9
213.16391	3.5
218.10866	2.8
219.11606	4.1
220.12416	3.8
221.13254	13.9
222.13976	6.2
223.13383	1.4
223.14865	13.4
224.15656	1.9
225.12685	2.6
225.16435	3.9
227.14200	3.9
229.15883	1.8
231.11705	2.5
232.12469	4.1
233.13199	4.7
234.10356	1.9
234.13966	3.6
235.14810	6.1
236.15500	3.0
237.16327	11.0
238.17114	4.7
239.14374	2.3
239.17863	3.0
241.15935	3.9
243.11586	2.6
245.13251	4.6
247.14832	7.2
248.15594	2.5
249.12750	1.9
249.16377	10.2
251.14252	3.5
251.17964	7.8
253.15907	2.2
255.17479	4.3
256.18124	2.8
258.13858	1.8
259.14816	3.0
261.16458	1.9
262.13638	1.9
263.17914	7.2
264.18649	2.4
265.15875	2.6
265.19495	3.2
267.17352	5.1
269.18997	3.2
273.16138	2.4
273.18643	2.2
277.15817	3.3
277.19531	2.5
281.19067	4.6
282.19812	3.3
283.20474	2.7
289.19473	5.8
291.16974	2.5
291.19806	4.9
299.17984	3.4
305.18906	2.3
309.18411	4.8
317.19229	2.9
319.24127	2.9
329.22687	5.2
347.23633	26.0
348.24072	2.6
365.10379	2.7
365.24710	100.0
365.31961	4.5
366.25076	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	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.9
55.05512	10.2
57.03416	1.4
57.07070	8.3
59.04978	1.9
67.05495	20.5
69.03415	2.9
69.07057	15.6
71.06990	1.8
71.07333	2.7
79.05485	13.2
81.03408	2.6
81.07036	17.8
83.04961	2.9
83.08603	4.8
85.06527	4.1
86.54362	1.4
91.05477	19.1
93.07031	23.9
95.04958	25.8
95.08596	25.3
97.06520	5.3
97.10143	1.7
105.07016	24.0
107.08583	22.3
109.06530	8.8
109.10127	12.5
111.04426	1.6
111.08048	2.4
115.05437	2.5
117.06998	5.8
118.36617	1.6
119.08566	30.5
121.06441	4.6
121.10142	12.2
123.08082	9.6
123.11647	1.6
125.09607	2.0
128.06174	3.4
129.06990	4.4
130.07780	3.6
131.08551	13.4
133.10126	12.9
135.08058	10.3
135.11658	5.4
137.05966	2.3
137.09592	3.1
141.06979	4.4
142.07751	6.9
143.08548	17.8
144.09300	4.2
145.10120	19.8
147.08018	4.8
147.11662	6.4
149.09607	3.6
151.07539	4.1
151.11169	3.5
152.08273	5.6
153.12665	1.5
154.07704	1.6
155.08534	6.1
156.09348	7.9
157.10115	25.5
159.08134	3.5
159.11676	16.8
161.09576	6.2
161.13260	3.6
163.11223	1.6
165.06961	2.1
165.09071	12.0
167.08501	3.6
168.09311	4.2
169.10135	12.0
170.10841	5.8
171.11636	13.5
172.08777	2.3
172.12384	1.8
173.09595	3.6
173.13255	5.4
175.11195	3.1
179.08534	4.7
180.09352	3.5
181.10103	9.0
181.12154	1.3
182.10886	3.3
183.11691	13.7
184.12463	2.2
185.09692	2.2
185.13213	21.3
187.11142	9.2
187.14746	10.4
189.12769	1.6
191.14311	2.0
192.09248	1.7
193.10159	6.4
194.10837	3.7
194.13043	1.4
195.11665	15.4
196.12410	5.2
197.13249	10.4
199.11165	2.3
199.14818	3.9
201.12753	1.9
203.14304	2.8
205.15855	4.7
206.10956	3.5
207.11739	9.9
207.13461	1.6
208.12404	3.5
209.13202	12.1
210.13777	1.8
211.14880	4.9
213.12711	7.8
213.16309	2.0
218.10826	1.8
219.11717	4.9
220.12462	2.5
221.13292	9.1
221.15234	2.3
222.13998	4.5
223.14876	12.0
225.12709	3.1
227.14307	2.2
229.15794	1.9
231.11749	2.3
233.13272	3.9
234.14099	3.0
235.14752	4.3
236.15573	4.0
237.16325	5.6
239.17921	2.5
241.15903	3.6
245.13106	1.8
247.14757	2.5
248.15541	1.8
249.16328	6.5
250.16940	1.8
251.17993	7.5
255.17299	1.8
259.14789	3.4
261.16272	2.3
263.17889	4.2
263.20306	2.4
264.18576	2.1
265.15842	1.8
265.19586	1.8
267.17273	2.6
269.18927	4.4
273.16199	2.5
273.18747	2.2
275.17722	1.8
277.15643	2.2
277.19443	2.2
281.18915	4.1
289.19318	3.1
291.17105	2.9
291.19916	2.6
305.24710	7.4
309.18600	2.1
319.26218	5.4
329.22357	2.7
347.26331	35.5
365.10632	7.3
365.26630	100.0
366.27200	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	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01864	0.2
55.05497	1.1
57.03431	0.2
57.07068	2.4
67.05495	1.5
67.60629	0.2
69.07050	1.3
69.39614	1.6
79.05476	0.8
81.07043	1.9
83.04956	0.3
83.08610	0.5
85.06542	1.2
91.05469	0.9
93.07027	1.3
95.04951	0.7
95.08606	1.3
96.35642	0.2
97.06525	0.3
98.21275	0.8
105.07031	1.1
107.08572	1.3
109.06503	1.0
109.10148	0.7
111.08073	0.3
111.71570	0.2
117.06968	0.2
119.08574	0.9
121.06451	0.3
121.10137	0.7
123.08047	2.5
123.11644	0.2
124.08834	1.3
125.09661	0.2
129.06972	0.2
131.08551	0.5
132.20398	0.2
133.10075	0.7
135.08031	0.8
135.11652	0.3
137.05965	0.6
137.09552	0.6
138.06676	0.2
139.07570	0.4
142.07787	0.3
143.08533	0.6
145.10110	0.7
147.08032	0.2
147.11690	0.5
149.09613	0.5
151.07539	2.6
151.11148	0.3
152.08301	4.9
157.10072	0.6
159.11662	0.7
161.09608	0.4
161.13219	0.3
163.11134	0.4
165.09091	7.8
165.12743	0.3
166.09822	0.6
171.11736	0.3
173.13211	0.3
175.11203	0.2
177.09012	0.3
179.08607	0.2
179.09148	0.2
179.10637	1.6
179.14275	0.2
181.10115	0.2
182.63539	0.2
183.11673	0.4
185.13240	0.8
194.12997	3.5
195.13435	0.2
199.14795	0.2
203.05211	0.2
207.13744	1.2
209.13214	0.3
221.15504	0.3
227.21550	0.2
235.16936	0.5
242.29369	0.2
249.18559	0.6
251.86720	0.2
253.14548	0.2
255.92949	0.2
263.20081	1.9
277.21677	0.4
291.19519	0.6
291.22797	0.3
319.26349	0.7
337.27548	0.3
347.25787	15.2
348.26013	0.9
365.26837	100.0
366.27206	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	365.2681
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
50.65046	0.3
50.75724	0.3
54.07186	0.3
54.31702	0.3
55.01853	0.4
55.05506	2.4
56.62936	0.4
57.03430	0.5
57.07069	2.3
64.35334	0.3
67.05495	3.3
69.07058	3.8
70.60134	0.8
71.08615	1.1
79.05473	2.5
81.07043	4.3
83.04956	0.4
83.08601	1.2
85.06534	1.2
91.05465	1.9
93.07025	3.0
95.04951	0.9
95.08584	3.9
97.06508	1.4
97.10162	0.6
97.57915	0.4
99.08072	0.5
105.07008	1.6
107.08575	3.5
109.06515	2.2
109.10132	1.4
109.83277	0.4
111.04428	1.8
111.08070	0.6
113.05959	0.9
117.06976	0.5
119.08558	1.7
121.06429	0.7
121.10149	1.9
123.08040	3.5
123.11650	0.6
124.08823	0.8
125.05943	1.6
131.08557	0.8
133.10101	1.3
135.08035	1.8
135.11649	1.9
137.05980	0.9
137.09579	0.6
139.07593	0.5
143.08600	0.4
145.10109	0.8
147.08011	0.4
147.11697	0.9
149.09586	0.7
151.07507	3.5
151.11177	0.6
152.08278	3.2
157.10056	0.5
159.11716	0.6
161.09552	0.4
163.11194	0.7
165.09094	11.1
165.12718	0.6
175.11253	0.4
177.09038	0.6
179.10649	1.6
179.14294	1.4
181.12207	0.5
188.73769	0.4
193.12195	0.7
195.13724	0.6
208.14638	2.0
209.15471	0.5
217.53516	0.4
219.13780	0.5
221.15314	1.6
221.18953	0.7
249.18413	1.1
263.20126	0.9
273.18344	0.5
291.19510	1.4
305.24716	8.6
309.26038	0.4
319.26273	4.8
337.27377	0.5
347.25769	45.9
348.26007	2.0
365.26831	100.0
366.27164	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	366.1766
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
57.03417	0.6
61.02918	0.9
63.84878	0.4
69.03426	2.6
69.07059	4.8
70.06566	0.5
70.87251	1.1
81.03399	0.6
81.07030	0.6
85.02897	3.6
86.09707	0.7
87.04457	0.4
91.05477	0.4
93.07055	0.4
95.08573	0.5
97.02906	1.9
98.72025	0.4
99.04443	0.4
109.02833	0.6
123.11728	0.7
127.03936	0.9
136.06171	100.0
137.04547	0.9
137.06563	0.5
148.06166	21.0
169.12273	0.5
173.12874	0.6
178.07278	0.4
184.00230	0.4
204.12428	64.2
205.12802	2.2
277.05157	1.3
310.11307	0.4
366.17694	56.7
367.18198	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
56.96532	0.7
57.03420	1.2
60.04514	0.6
61.02910	1.5
69.03423	3.9
69.07058	0.6
70.06584	0.7
70.23880	2.3
72.93776	0.6
73.02920	0.6
75.38772	0.5
81.03394	1.7
85.02410	0.9
85.02895	11.7
91.05466	0.7
97.02891	3.0
98.97598	0.6
99.04491	0.7
103.03922	1.2
107.04878	0.5
109.02844	1.3
115.05438	1.1
116.98580	0.7
117.05748	1.2
117.07014	0.5
118.06522	10.7
119.01848	0.5
119.04942	0.7
123.04411	0.6
127.03892	2.2
129.06995	1.2
130.06519	5.2
132.04457	1.4
132.08084	6.4
142.06512	1.7
143.07265	3.4
144.08066	13.8
145.04977	0.9
145.07558	2.4
146.05995	47.6
147.04385	3.3
154.06499	1.3
156.08087	8.0
158.08423	0.9
158.09662	1.8
159.09157	3.7
160.07549	3.8
162.96855	0.7
163.00455	0.6
163.03940	0.9
167.07193	0.7
168.08090	3.1
169.07582	0.9
170.05969	6.0
171.09100	1.3
172.07574	1.5
174.09068	1.2
178.04979	10.2
180.07973	0.7
182.06047	0.6
183.06767	1.0
183.09126	1.2
184.07581	3.6
185.08337	0.9
186.09146	1.4
188.07047	100.0
189.07365	1.9
200.07085	0.7
201.10214	0.6
202.08694	3.0
205.01503	1.1
205.09705	50.2
206.04466	18.1
206.06416	0.7
206.10043	1.5
212.07114	1.0
217.01529	1.2
217.09686	1.6
228.06602	0.7
229.09584	2.3
230.08105	29.3
231.08534	0.7
234.98830	0.7
237.02704	0.7
240.10115	1.0
247.10762	12.7
258.11273	1.8
260.09027	1.0
276.12247	1.5
283.10757	0.7
307.04715	4.1
313.11716	0.8
314.10294	1.0
323.15414	0.6
331.12881	3.1
332.11163	5.2
349.13873	3.2
350.12314	14.5
367.10522	1.7
367.14987	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	367.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01853	2.6
55.05507	4.7
56.96293	1.7
56.96560	25.4
57.03416	3.1
59.04981	0.7
62.25294	0.7
65.95366	0.6
67.05498	8.3
69.03409	1.9
69.07058	5.0
71.04975	0.7
71.63525	1.3
71.95248	2.7
74.97588	1.3
78.07909	0.7
79.05479	10.5
80.26450	0.6
81.03371	1.4
81.07047	17.0
83.04963	3.0
83.08598	3.2
84.96016	0.9
85.02864	1.4
91.05455	7.0
92.98633	1.0
93.07037	6.5
94.18318	0.7
95.04969	5.1
95.08590	5.7
97.02873	1.2
97.06509	3.1
97.10143	1.5
97.96768	1.0
99.04447	1.0
105.07021	6.2
107.04919	2.2
107.08585	8.0
108.50559	0.7
109.06517	2.0
109.10141	3.9
110.97581	0.8
111.04422	1.9
111.08023	1.1
117.06975	1.6
119.08575	4.7
121.06511	0.9
121.10126	5.7
123.08028	1.8
123.11664	1.4
125.09598	1.6
128.98590	2.9
129.06938	1.1
131.08530	3.2
133.01706	1.1
133.10144	3.9
133.98805	0.8
134.99605	1.1
135.08008	1.9
135.11664	2.4
137.09570	0.9
143.08495	1.2
145.10118	3.6
146.99632	4.8
147.11700	3.3
149.09573	3.7
149.13216	1.0
151.11258	0.8
155.03743	1.8
157.10130	1.0
159.03131	0.8
159.11662	1.9
161.01175	1.9
161.13135	1.0
163.11203	2.4
165.00732	2.5
169.05391	0.8
171.03256	1.7
173.01129	0.8
173.04831	1.3
173.13324	1.0
177.12816	1.1
185.04782	1.3
185.13222	1.1
187.02742	1.2
187.06360	1.0
189.04312	2.4
199.06335	3.5
201.07924	1.7
203.05859	4.4
203.14301	0.7
205.07477	1.2
205.12167	1.1
211.06380	2.3
213.07883	5.1
217.05554	1.1
217.07457	8.8
220.70879	0.8
223.02823	1.6
223.08456	1.7
223.13226	2.2
225.07932	3.5
227.05937	0.7
228.09087	0.9
229.07407	12.0
229.19588	0.6
231.06955	1.3
231.08989	13.4
236.09677	0.8
237.04198	1.3
237.07936	2.1
239.09534	2.7
241.11075	3.0
243.08984	5.1
247.08502	15.8
251.09599	2.4
252.08960	2.2
254.10608	1.1
255.09032	5.8
257.06833	0.8
257.10571	3.3
257.18887	1.9
259.12134	5.9
261.07733	0.9
261.10129	1.5
266.10760	1.0
267.08862	0.8
269.10580	26.5
270.10269	1.4
273.10120	6.0
275.20010	7.1
279.08994	2.1
280.09659	1.6
285.10089	1.8
287.11639	16.5
292.12198	4.6
293.20972	1.4
297.10001	3.1
298.10944	1.4
310.13400	1.7
315.11099	1.9
331.15726	8.8
331.22177	0.9
349.12897	1.4
349.16864	17.2
349.23715	2.8
367.17828	100.0
368.18118	4.1
372.18423	2.7
385.18939	26.3
390.19559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.2
53.03936	4.0
55.01867	6.9
55.05250	1.8
55.05504	19.4
56.96556	1.5
57.03430	15.1
57.07069	1.6
65.03933	2.8
67.05496	46.5
69.03412	3.4
69.07059	35.0
70.73877	3.4
71.04969	4.0
73.02911	1.5
79.05483	38.1
81.03408	3.8
81.07047	100.0
82.07375	1.6
83.04965	7.3
83.08617	13.4
85.02899	2.1
85.06533	4.2
91.05470	27.3
92.05851	1.0
93.07031	26.9
95.04951	12.4
95.08594	29.5
97.02877	3.2
97.06515	10.8
97.10157	4.2
99.04470	1.6
99.08081	4.4
101.05997	2.7
105.07021	28.6
107.04942	7.7
107.08578	20.6
109.06506	18.0
109.10126	10.1
111.04456	1.1
111.08079	5.8
117.07013	8.0
119.08565	24.0
121.06487	4.1
121.10131	14.7
123.08051	7.4
123.11705	7.7
124.08371	1.0
125.09628	2.7
125.92609	1.0
127.07497	1.4
129.07027	3.9
131.08536	10.5
133.10109	14.7
135.08034	3.6
135.11670	7.2
137.09601	3.6
143.08557	3.2
145.06477	3.0
145.10124	11.5
147.07964	1.7
147.11676	22.4
149.09604	8.4
149.13254	8.7
151.11182	3.3
155.08420	1.0
157.10133	5.7
159.07944	0.9
159.11693	9.0
161.09555	2.4
161.13310	3.0
161.81020	0.9
163.11197	8.6
163.14934	1.1
165.12691	8.3
169.10129	1.3
171.11682	3.0
173.09656	1.7
173.13269	3.7
175.11191	2.9
175.14859	1.4
177.12738	4.3
183.11713	2.5
183.13742	1.1
185.13193	1.3
187.14847	2.0
189.12744	1.9
191.14226	1.1
193.12268	2.2
195.13817	2.1
197.13264	1.9
201.12834	1.3
207.13799	2.7
217.77849	1.1
223.11249	1.6
223.13242	1.8
225.13228	1.2
229.19542	2.3
239.17882	2.1
247.20551	3.9
255.13905	2.0
257.19116	6.1
269.17502	2.2
275.20029	34.8
276.20361	1.5
285.09973	1.3
285.64566	3.2
286.14478	1.3
293.21097	7.8
349.24033	8.1
358.38162	1.1
367.25061	41.7
368.25009	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36581	1.1
52.87426	1.1
53.03927	6.0
55.01617	2.1
55.01868	30.5
55.05506	72.3
57.03431	31.1
57.07067	2.7
58.06574	1.4
59.04991	2.9
60.04513	8.5
60.68095	1.1
60.76896	1.1
65.03930	5.6
67.05498	85.1
69.03425	6.1
69.07062	47.3
71.04986	12.6
79.05483	78.2
80.05808	1.7
81.03415	10.2
81.07049	79.4
82.85397	1.3
83.04974	39.9
83.08612	44.7
84.08138	3.5
85.02905	11.5
85.06523	4.2
86.09705	9.7
91.05471	49.6
93.03365	1.4
93.07034	78.2
94.07375	1.9
95.04956	71.3
95.08595	49.7
95.09216	1.6
97.06519	22.4
97.10159	22.9
98.21252	6.8
99.04435	22.8
99.08063	3.6
99.55989	1.2
100.07584	1.7
105.07020	43.5
107.04944	17.7
107.08584	67.8
109.06516	17.2
109.10153	26.3
111.04431	46.6
111.08069	13.6
112.07599	9.0
112.08296	1.7
113.06002	1.9
115.05437	1.8
116.06205	1.6
117.07001	17.3
119.08568	36.5
121.06518	10.7
121.10129	45.4
122.09660	4.4
123.08060	11.1
123.11674	7.2
125.05993	4.4
125.09623	24.1
128.06187	1.7
128.10686	10.9
129.05449	2.2
129.06981	5.0
130.07777	2.0
131.08556	30.4
133.06479	3.9
133.10114	24.7
134.10544	1.2
135.08052	10.8
135.11673	20.7
136.11986	1.9
137.09592	8.0
137.13231	1.6
139.07582	2.5
139.11163	7.3
141.06963	1.7
143.08574	6.6
143.10663	1.5
145.06512	2.5
145.10107	35.4
146.10535	1.5
146.34958	1.4
147.08026	5.5
147.11671	19.3
149.09605	48.5
149.13206	5.9
150.10001	2.0
151.11166	6.2
151.73390	1.5
153.09082	3.7
153.12733	6.1
155.08537	3.1
157.10081	5.9
159.08069	3.6
159.11661	22.7
161.09589	3.1
161.13263	6.6
163.11174	45.0
163.14784	1.5
164.11536	2.0
165.09174	2.4
165.12714	7.7
167.10654	3.8
169.10123	4.0
171.10255	1.7
171.11678	4.3
172.09657	2.1
173.09622	3.6
173.11852	2.4
173.13252	5.8
175.11162	3.3
175.14812	1.6
177.12747	9.3
179.10619	1.4
180.13812	3.6
181.12280	7.5
183.11697	3.8
183.13632	1.7
185.13245	2.5
187.11185	6.8
187.14848	2.6
189.11197	19.9
189.12732	1.7
191.10667	5.5
191.14378	1.8
193.12267	4.7
195.13831	3.3
197.13271	3.7
201.12741	3.1
205.12230	10.6
207.13721	3.0
211.13235	3.6
219.13852	1.9
223.13263	72.5
224.13504	1.9
227.12750	4.9
229.19519	5.3
235.16933	1.4
237.14850	2.5
239.17912	9.8
247.20554	5.6
257.18982	15.3
269.17419	2.9
273.18405	2.9
275.20029	100.0
276.20441	5.4
290.20987	3.2
291.19370	7.2
293.21091	36.8
294.21680	1.7
308.22107	8.0
311.22070	1.8
349.23770	16.1
350.23520	6.9
363.00070	1.2
367.21036	2.5
367.24796	65.2
368.24399	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01867	12.7
55.05503	25.6
56.96537	2.1
57.03220	1.3
57.03434	14.2
57.07059	2.4
59.65018	1.3
60.04514	2.3
65.03928	2.9
67.05498	57.3
69.03420	6.6
69.06665	1.4
69.07055	27.2
69.49400	11.6
71.04971	5.5
79.05481	45.3
81.03410	3.9
81.07048	100.0
83.04965	8.3
83.08614	12.8
85.06538	4.5
86.09684	5.0
88.07621	1.4
91.05469	36.8
93.07037	39.5
95.04967	14.4
95.08595	37.2
95.09184	1.0
97.06515	18.5
97.10143	8.9
98.20755	3.1
99.08070	3.8
105.07020	39.5
107.04932	9.8
107.08584	32.8
109.06507	12.4
109.10143	19.8
111.08044	6.3
112.07583	4.5
117.07008	11.9
119.08566	29.5
121.06469	3.8
121.10123	19.2
123.08035	8.7
123.11694	9.1
125.09600	9.8
127.07559	1.3
128.10678	4.1
129.07001	3.7
131.08546	14.3
133.10118	24.3
135.08083	6.3
135.11674	11.2
137.09599	4.6
137.13193	2.6
139.07553	1.9
139.11223	1.5
141.06961	2.0
143.08533	4.0
145.06378	1.6
145.10098	16.2
146.10564	1.3
147.08076	1.8
147.11684	23.4
149.09596	18.5
149.13228	7.1
151.11153	6.0
155.08482	1.5
157.10080	6.2
159.08041	1.8
159.11667	13.5
161.09613	2.7
161.13237	5.5
163.11160	10.8
163.14908	1.6
165.12704	4.7
169.10117	1.9
171.10194	1.4
171.11624	3.0
173.09677	1.4
173.11855	1.5
173.13156	7.3
175.11172	4.3
175.14876	2.4
177.12691	3.4
183.11653	2.3
185.13206	4.1
187.11177	2.7
187.14760	1.4
189.11159	5.6
191.14203	2.3
195.13795	2.3
197.13226	3.4
199.14815	1.7
223.13184	1.7
229.19518	3.2
235.16956	2.0
239.17885	2.9
245.13803	1.8
247.20523	4.7
251.20131	1.5
255.09016	1.4
257.18973	10.8
263.20044	2.0
267.15674	2.1
269.17435	6.1
273.18402	2.5
275.20041	59.1
276.20450	2.3
290.21094	1.6
291.19519	1.5
292.92892	1.4
293.21112	6.4
308.22223	2.1
331.22546	1.5
349.19696	2.1
349.23727	25.8
350.23401	5.5
364.53925	1.5
367.17966	1.7
367.24756	35.9
368.24402	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01863	6.4
55.05253	1.1
55.05504	15.9
55.59649	0.5
56.67809	0.5
57.03428	14.4
57.07053	1.8
65.03939	1.7
67.05492	39.8
69.03416	1.6
69.07057	32.5
70.07374	0.7
70.44824	2.5
71.04978	2.6
71.08614	0.9
79.05482	33.9
81.03410	2.4
81.07043	100.0
82.07378	1.8
83.04972	5.3
83.08607	11.9
85.06529	4.1
91.05464	24.8
93.07028	27.7
95.04958	9.8
95.08590	26.7
97.02851	0.7
97.06519	12.8
97.10164	2.6
99.08059	4.0
105.07017	26.1
107.04925	5.2
107.08578	18.3
109.06508	14.5
109.10130	11.2
111.08052	4.9
113.05962	1.1
115.05482	0.9
115.07526	0.8
117.06989	5.8
119.08558	20.4
121.06503	3.1
121.10119	13.8
123.08056	6.5
123.11689	8.3
125.05982	0.6
125.09608	2.5
127.07542	0.7
129.06992	3.5
131.08540	10.3
133.06451	1.3
133.10120	14.1
135.08008	2.9
135.11668	6.3
137.09653	2.9
137.13235	1.9
139.11153	1.3
141.06963	0.8
141.13869	0.6
143.08559	1.6
145.10080	8.8
147.11667	21.0
148.12036	1.1
149.09590	7.2
149.13231	7.0
151.11162	2.2
155.08565	1.0
157.10056	3.1
159.07959	0.7
159.11642	8.4
161.09477	0.9
161.13243	3.7
163.11157	5.5
163.14824	1.2
165.12723	6.3
167.14287	1.7
168.68102	0.6
169.10164	1.7
171.11674	2.1
173.13216	4.9
175.11166	2.3
175.14789	0.8
177.12706	2.9
179.14291	0.8
183.11661	1.5
185.13156	0.7
187.11090	1.1
187.14734	1.5
189.12671	0.9
191.14282	1.3
193.12228	1.9
195.13802	1.8
197.13231	1.5
201.12642	1.0
201.16391	0.8
202.43332	0.6
205.12242	1.3
207.13774	0.9
213.16402	0.7
215.17946	0.8
219.13971	0.8
219.17310	0.8
229.19510	3.1
233.66298	0.6
239.17879	3.0
247.20612	3.0
257.18964	4.3
265.21698	0.8
275.20032	33.6
276.20422	1.8
293.21039	7.5
349.23672	10.1
367.24734	45.2
368.24817	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	367.2474
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03888	1.9
54.50880	0.6
55.01812	5.7
55.02109	1.0
55.05450	16.4
57.03373	8.6
57.07018	2.2
59.73781	0.5
65.03890	1.5
67.05494	32.6
67.05817	1.7
69.03357	2.4
69.07059	17.4
69.07402	1.1
69.41463	4.8
71.04927	2.6
74.85327	0.6
79.05481	27.7
79.05914	1.2
81.03350	2.4
81.07045	37.3
83.04970	9.6
83.08607	10.6
85.06477	1.9
87.53655	0.7
91.05463	25.4
93.07027	32.4
95.04956	9.8
95.08592	23.1
97.02839	0.8
97.06516	7.1
97.10153	4.8
98.21439	1.0
99.07997	1.1
103.05370	0.7
105.07014	28.9
106.07326	0.7
107.04295	0.8
107.04944	9.8
107.08579	24.9
109.06511	11.6
109.10136	11.1
111.08057	3.0
117.06998	11.2
119.04833	0.7
119.05994	0.6
119.08563	18.9
121.06491	9.8
121.09308	0.8
121.10121	14.6
123.08032	6.2
123.11700	3.2
125.09604	3.3
127.07505	0.6
128.06203	0.7
129.06976	3.0
131.08551	19.5
133.06409	2.5
133.10112	23.6
135.08032	5.5
135.10812	0.6
135.11661	7.5
137.05881	1.1
137.09613	3.2
137.13162	0.8
139.11046	0.8
141.06909	1.8
142.07715	1.0
143.08566	2.9
145.06387	1.8
145.09045	1.2
145.10100	16.6
147.08022	3.7
147.11665	13.3
149.08398	0.8
149.09586	13.8
149.13263	4.6
151.11174	6.0
155.08466	2.4
156.09219	0.8
157.10162	3.3
159.07942	2.1
159.10468	0.7
159.11665	9.9
161.09547	2.6
161.13248	4.0
163.11153	12.4
163.14751	0.9
165.12675	1.5
169.10127	2.8
171.10201	1.0
171.11598	3.2
173.09552	1.9
173.13249	6.9
174.91292	0.6
175.11147	3.2
175.14735	1.5
177.12679	3.4
179.10736	0.8
179.14290	1.5
183.11623	2.6
185.13165	1.7
187.11105	2.5
187.14726	2.2
189.00673	0.7
189.11086	1.3
189.12628	1.1
191.14244	2.3
193.12248	0.8
196.74745	0.6
197.13216	2.6
199.14767	0.7
201.12718	2.9
201.16321	0.7
205.12251	0.6
207.13742	3.9
211.14763	0.8
213.16292	1.1
215.14282	1.5
215.17844	2.1
219.13797	3.5
227.12761	1.3
229.19389	3.8
231.17410	1.1
233.15387	1.2
233.19003	0.9
239.17883	4.7
245.13718	1.2
247.20499	3.4
253.18051	0.7
257.18964	16.1
258.19220	0.7
275.20020	100.0
276.20355	4.2
293.21039	11.5
349.23691	50.9
350.24011	1.8
367.24747	34.5
368.24954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01862	28.9
55.02105	2.9
55.05505	76.0
56.96548	3.9
57.03431	33.0
57.07064	3.2
57.58171	1.7
59.04999	2.0
65.03954	4.9
67.05497	86.6
69.03420	5.1
69.07059	42.1
69.46311	19.3
71.04987	14.4
79.05486	84.7
80.05809	2.8
81.03408	9.6
81.07045	85.1
83.04974	41.6
83.08614	52.1
85.02883	13.9
85.06537	5.9
91.05472	56.1
93.07035	78.9
93.07619	4.1
95.04961	78.0
95.08595	50.0
97.02871	3.8
97.06535	17.5
97.10146	18.6
99.04446	27.4
99.08075	3.7
105.07018	50.0
107.04960	18.0
107.07855	3.5
107.08587	68.3
109.06516	12.6
109.10143	30.8
111.04430	53.6
111.08064	19.1
117.06998	18.5
119.08557	34.4
121.06501	9.3
121.10130	46.9
123.08049	11.3
123.11711	3.6
124.30592	2.2
125.05953	5.7
125.09600	21.0
129.07016	7.3
129.42342	1.9
131.08560	23.8
133.06493	2.9
133.10109	26.2
135.08037	11.3
135.11685	20.8
137.09608	2.8
139.11189	6.5
143.08591	6.4
145.10117	35.2
147.08023	8.3
147.11673	19.8
149.09595	46.1
149.13225	4.3
150.10030	2.3
150.11223	2.0
151.11186	3.4
153.09120	3.2
153.12738	9.1
155.08582	3.4
157.10146	8.0
159.11655	16.1
161.09592	5.0
161.13234	4.6
162.88651	1.9
163.11182	44.2
165.12794	4.9
167.10672	2.5
169.10109	4.4
171.10191	2.3
171.11633	5.6
173.09656	3.8
173.11844	2.8
173.13272	7.6
175.11079	4.1
175.14737	2.6
177.12685	7.0
181.12204	11.8
183.11690	2.5
185.13321	4.6
187.11203	3.2
189.11220	17.1
189.12770	3.3
191.10680	3.0
191.14328	2.2
193.12234	5.8
197.13297	3.1
205.12286	8.3
207.13766	3.5
211.13300	4.8
223.13260	79.5
227.12733	3.8
229.19511	6.0
232.46120	1.9
237.14946	4.5
239.17963	6.7
247.20616	4.5
257.18985	13.6
275.20023	100.0
276.20569	4.1
293.21042	30.5
299.11612	5.6
322.92764	2.2
349.23727	8.4
367.24783	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08877	0.5
53.03932	2.8
55.01863	4.6
55.05502	17.3
57.03143	0.7
57.03430	14.3
57.03695	1.1
57.07058	1.4
58.24675	0.6
65.03915	1.7
67.05495	37.6
68.05833	0.6
68.70811	0.5
69.03409	1.0
69.07059	30.7
70.07384	0.6
70.67942	1.9
71.04990	2.4
77.03902	0.6
77.71175	0.6
79.05481	33.0
81.03399	2.2
81.07045	100.0
82.07377	1.7
83.04966	4.5
83.08607	9.7
85.06527	4.4
91.05470	22.7
93.07032	23.6
95.04957	8.7
95.08591	26.3
96.08949	0.5
97.06518	8.2
97.10129	1.6
99.08068	3.8
101.05993	0.7
103.05438	1.0
105.07016	26.0
107.04951	4.8
107.08579	16.8
109.06493	13.0
109.10140	9.7
111.08064	5.0
111.11694	0.9
113.05951	0.9
117.06985	5.6
119.08566	19.0
121.06478	3.4
121.10130	11.9
123.08059	6.3
123.11681	8.3
125.05935	0.5
125.09620	2.0
127.07533	2.1
129.07002	2.8
131.08553	9.2
133.06464	1.0
133.10114	14.0
135.08028	2.9
135.11652	5.9
137.09621	3.1
137.13231	1.1
139.11137	1.1
141.06970	1.1
141.09137	1.0
143.08542	2.3
145.06493	1.2
145.10107	8.5
147.08049	1.0
147.11662	22.6
149.09595	5.7
149.13226	6.8
151.11136	1.9
155.08514	1.2
157.10100	3.7
159.08057	0.8
159.11665	8.6
161.09570	0.7
161.13245	4.6
163.11185	5.0
163.14789	2.0
165.12740	7.3
167.14284	0.9
169.10118	1.8
171.11667	2.2
173.09583	0.8
173.13228	5.1
175.11150	2.6
175.14723	3.0
177.12712	2.9
179.14267	1.4
183.11661	2.2
185.13263	1.5
187.11157	1.3
187.14717	1.5
189.12740	1.0
191.14209	1.1
191.18091	0.5
193.12164	1.5
195.13719	2.1
197.13167	1.2
199.14830	1.1
201.12660	1.0
201.16301	1.1
205.12170	1.4
205.15863	0.7
207.13823	1.0
211.14728	1.1
213.16420	0.7
215.17950	1.3
219.13731	0.9
229.19550	1.4
233.19014	0.9
239.17842	3.0
247.20551	2.9
251.17851	1.0
257.19016	4.0
265.19214	0.7
275.20032	27.1
276.20248	1.0
293.20993	6.1
295.02151	0.6
321.25787	3.0
349.23590	4.9
367.24762	41.5
368.25067	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.5
55.01868	16.8
55.05505	65.4
56.96555	2.6
57.03435	25.0
57.07068	2.9
59.04998	2.4
67.05498	100.0
69.03409	6.5
69.06728	2.7
69.07063	36.3
70.18959	7.4
71.04992	4.6
79.05056	4.3
79.05486	65.0
81.03395	9.6
81.07049	99.0
83.04957	16.5
83.08610	56.7
85.06525	4.5
91.04895	2.5
91.05468	65.9
93.07030	78.6
95.04961	38.3
95.08594	70.2
97.02895	2.8
97.06502	15.0
97.10147	8.1
98.21460	2.9
99.08096	2.6
103.05471	3.5
105.06386	3.5
105.07024	50.2
107.04945	20.3
107.08579	48.1
109.06499	14.1
109.10144	36.7
111.08057	19.5
113.09634	2.7
116.98476	3.8
117.07011	19.0
119.08572	43.2
121.06528	13.1
121.10137	30.2
123.08051	12.7
123.11694	7.1
123.43865	2.4
125.09625	11.6
128.06226	2.5
128.98479	2.3
129.06992	8.9
130.90488	2.2
130.99988	8.1
131.08548	29.1
133.06490	3.6
133.10107	45.2
134.99519	2.4
135.01743	2.5
135.08020	9.3
135.11685	17.2
137.09573	9.4
139.11136	4.8
140.98434	3.0
143.08562	7.2
145.06470	3.0
145.10107	37.5
146.10635	2.2
147.08017	4.2
147.11673	21.6
148.11990	2.6
149.01120	3.1
149.09607	47.9
149.13258	6.4
151.11151	10.5
155.08591	3.8
157.10109	7.9
159.11681	22.5
161.09621	2.5
161.13205	8.2
163.11166	45.2
165.12730	8.3
169.10010	3.7
171.11638	4.9
173.01054	3.7
173.09570	7.1
173.13228	13.3
174.98991	9.9
175.11115	5.4
177.00584	4.7
177.12727	7.5
183.11673	6.5
187.11104	2.5
187.14728	4.1
189.00533	20.1
189.11127	3.8
189.12718	3.4
191.02156	3.5
191.10713	3.0
191.14349	3.5
197.13223	4.6
199.02657	3.6
201.04202	8.7
205.12163	4.1
207.13686	2.8
211.14873	3.5
215.14282	2.6
215.17961	4.5
217.03702	2.8
223.13243	9.7
229.19420	6.9
239.18030	13.4
247.20607	7.5
257.18994	15.9
275.07831	4.7
275.20032	84.7
275.45367	2.6
276.20407	4.7
293.21085	13.8
299.07742	3.1
307.23953	2.2
348.00711	2.6
349.13077	4.3
349.16867	8.8
349.23819	20.1
367.14096	14.9
367.18256	2.8
367.24805	68.6
367.29443	2.9
368.24954	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	367.2475
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.00270	0.7
53.03918	1.4
55.01871	4.4
55.05504	23.4
57.03433	7.2
57.07049	1.3
59.04972	1.3
65.78873	0.6
67.05498	19.6
69.03381	2.6
69.07061	22.2
70.24178	3.1
71.04950	1.7
71.08622	30.6
79.05482	16.1
81.03399	3.6
81.07045	17.0
82.07349	0.6
83.04969	3.4
83.08208	0.6
83.08604	7.0
83.15762	0.7
85.06516	1.2
91.05463	6.5
91.29209	0.6
93.06472	1.0
93.07024	12.4
95.04967	5.7
95.08604	8.3
97.06481	2.5
97.10154	9.5
99.08078	22.0
105.07023	6.1
107.04913	1.9
107.08575	9.3
109.06477	3.4
109.10140	6.6
111.04434	0.6
111.08021	1.9
111.11672	0.9
117.06998	3.0
119.08570	4.8
121.06523	3.2
121.10111	4.3
123.08074	1.0
123.11672	1.3
125.09621	6.9
125.38773	0.6
129.07059	0.6
131.08504	2.5
133.10114	3.4
135.08022	2.0
135.11705	3.0
137.09561	1.2
139.11137	1.9
141.07028	0.7
143.08472	0.6
145.10048	2.0
147.11668	2.2
149.09587	1.4
149.13203	2.5
151.11156	0.8
153.09047	0.9
153.12767	0.9
159.11664	2.6
163.11154	1.5
164.11914	0.8
165.12717	1.1
167.10591	3.6
171.10141	0.9
171.11571	0.8
173.11705	1.2
173.13205	1.3
176.98901	0.6
177.12733	3.3
179.10689	0.7
187.11157	0.9
187.14859	1.0
189.11172	4.3
193.12289	0.7
195.13745	1.8
219.20912	0.6
227.12715	1.1
229.19543	1.1
237.14771	0.8
247.20622	1.6
257.19098	1.3
265.21600	1.3
275.20059	11.1
293.21072	100.0
294.21448	3.8
349.23694	1.0
367.24765	43.9
368.25012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70832	1.8
53.03930	5.5
55.01866	28.1
55.05258	3.8
55.05507	64.6
56.96556	23.5
57.03430	32.9
57.07063	3.8
57.58170	2.1
65.03919	2.7
65.33668	2.2
67.05499	81.6
69.03426	6.6
69.07057	49.5
70.76672	8.5
71.04984	14.5
71.05294	2.4
71.95251	3.5
79.05481	74.5
81.03391	12.7
81.06568	4.4
81.07046	81.3
83.04964	40.9
83.08603	55.4
85.02887	16.8
85.06519	6.7
91.05468	47.7
93.07034	71.9
95.04955	82.0
95.08594	46.3
97.02915	4.0
97.06517	20.6
97.10155	19.0
99.04446	22.2
99.08049	4.1
105.07018	48.3
107.04935	16.9
107.08582	71.1
109.06480	14.5
109.10146	26.8
111.04433	52.8
111.08068	15.9
116.06168	2.5
116.98615	3.0
117.07006	17.1
119.08562	35.9
121.06480	11.8
121.10114	40.2
123.04353	2.8
123.08063	11.4
123.11701	5.6
125.05966	4.2
125.09608	25.6
128.98613	3.9
129.06985	5.7
131.08565	26.2
133.10117	28.6
134.10403	2.1
135.08057	10.8
135.11661	20.2
137.09630	5.9
139.11176	6.2
141.06949	4.4
143.07436	2.1
143.08554	5.8
145.06537	3.3
145.10103	31.2
146.99637	4.3
147.08020	8.3
147.11647	21.6
149.02332	3.5
149.09596	54.1
149.13240	6.2
151.11131	3.4
153.09079	3.7
153.12708	5.4
155.08524	4.0
157.10092	7.6
159.08064	2.8
159.11696	14.9
161.09589	3.2
161.13216	5.8
163.03894	2.5
163.11174	41.4
165.12714	9.3
169.10071	5.4
171.11647	4.8
173.09625	3.9
173.11914	3.3
173.13208	10.8
175.11206	4.7
177.12706	7.0
181.12224	9.0
183.11659	3.2
185.13222	2.5
187.11160	7.2
189.11194	23.4
189.12740	3.5
191.10645	4.2
193.12196	6.3
194.59866	2.4
195.11646	2.3
195.13722	2.3
197.13286	4.4
205.12160	12.6
207.13831	4.1
211.13159	5.3
213.07988	4.2
217.07413	6.6
223.11108	5.0
223.13255	86.5
227.12738	3.0
229.07452	15.4
229.19426	5.9
231.09001	9.3
237.14833	3.1
239.17896	7.4
241.11168	3.2
242.42886	2.6
243.09048	6.1
247.08510	19.1
247.20578	3.3
255.09096	2.9
257.18927	16.8
259.12131	4.1
269.10587	16.8
269.17511	3.0
273.10031	4.9
275.20026	100.0
276.20355	3.1
279.08801	2.8
285.09979	6.6
287.11710	12.8
293.21030	32.7
331.15903	5.4
349.16788	12.1
349.23672	10.4
352.20160	2.6
367.17822	83.3
367.24744	65.8
368.18213	6.2
385.18945	22.1
386.19113	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.7
55.01863	27.3
55.05505	67.0
56.05835	2.6
56.96544	3.1
57.03433	31.4
65.03907	4.4
67.05498	83.2
69.03420	4.9
69.06712	3.2
69.07061	43.4
69.45652	9.3
69.46082	9.2
71.04989	15.3
79.05486	69.9
81.03401	12.4
81.06567	3.7
81.07047	68.8
83.04972	47.1
83.08604	46.7
85.02895	13.9
85.06534	4.2
91.05469	46.4
93.07034	71.9
95.04961	76.6
95.08032	3.8
95.08596	47.5
96.08936	2.4
97.06529	12.7
97.10162	18.1
98.20731	2.9
98.21395	5.7
99.04447	24.1
99.08083	2.5
105.06377	3.0
105.07021	38.9
107.04948	14.5
107.08581	68.8
107.09285	4.4
109.06496	9.9
109.10134	26.5
111.04428	50.3
111.08048	16.5
113.06007	2.2
115.05386	2.6
117.07005	16.6
118.03076	1.9
119.08572	35.0
121.06501	13.1
121.10130	42.1
123.08070	10.2
123.11710	7.9
125.05993	3.5
125.09608	22.6
127.07536	2.1
129.05443	3.1
129.07004	5.4
130.07745	2.8
131.08554	22.0
133.06479	2.5
133.10123	22.9
135.08052	11.6
135.11682	18.9
137.09595	7.0
139.11159	6.3
141.06981	2.3
143.08527	6.0
145.10100	32.7
146.10515	2.2
147.08066	8.0
147.11690	13.6
149.09593	49.4
149.10727	3.5
149.13246	6.1
151.11163	7.3
153.09045	3.2
153.12714	8.0
155.08565	4.7
157.10043	4.3
159.11664	13.8
161.09654	2.9
161.13246	4.7
163.11165	50.0
164.11574	2.7
165.12714	4.9
167.10707	3.7
169.10149	4.1
171.11668	5.3
173.09689	3.8
173.11798	2.6
173.13245	6.5
175.11208	3.8
177.12738	5.9
177.96141	2.0
181.12236	11.5
183.11722	4.5
187.11153	7.3
189.11188	14.3
191.10645	4.7
191.14276	3.3
193.12247	5.6
197.13271	5.2
203.14255	2.6
205.12225	8.0
211.13237	4.6
223.13277	94.5
224.13699	2.3
227.12657	2.3
229.19437	5.0
239.17917	9.0
247.20509	5.2
252.16537	2.4
257.19016	14.1
265.21689	2.3
275.20029	100.0
276.20447	4.0
276.81808	2.2
293.21042	32.7
349.23566	7.0
367.24850	58.3
368.25244	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03830	1.1
53.03940	5.1
55.01868	12.8
55.05505	32.2
57.03429	18.9
57.07056	2.3
60.48496	1.3
65.03937	2.0
67.05496	60.2
68.55282	1.2
69.03424	6.2
69.06490	1.4
69.07063	26.8
69.07425	1.0
70.14295	5.4
70.76526	1.5
71.04982	3.7
77.47287	1.3
79.05482	50.4
80.05814	1.9
81.03412	4.1
81.07046	100.0
82.07380	1.4
83.04959	10.4
83.08601	14.8
85.02926	1.4
85.06528	4.2
91.05467	39.5
93.07037	40.6
95.04960	16.6
95.08595	46.3
95.30637	1.4
97.06521	15.3
97.10155	6.8
99.08071	4.2
105.07012	42.2
106.07378	1.5
107.04948	11.3
107.08583	32.7
109.06516	13.0
109.10145	20.7
111.08057	5.3
117.07012	12.4
118.37635	1.4
119.08570	38.3
119.95969	1.3
120.05097	1.2
121.06483	4.4
121.10134	19.8
123.08048	8.0
123.11684	10.8
125.09615	4.8
127.07604	1.5
129.06996	1.5
130.07713	1.7
131.08549	17.9
133.06480	1.9
133.10120	27.0
135.08022	6.7
135.11673	11.1
137.09592	5.2
137.13190	1.5
139.11134	1.3
141.06914	2.3
143.08609	3.2
145.10101	16.4
147.11676	21.8
147.65424	1.3
149.09607	14.0
149.13237	6.5
151.11185	5.1
155.08513	2.2
157.10150	3.9
159.08058	1.6
159.11707	12.1
161.13258	6.3
163.11115	8.0
165.12781	4.7
169.10147	3.1
171.10158	3.6
171.11671	4.3
173.09581	2.1
173.13248	5.8
175.11157	3.9
177.12766	3.0
179.14291	1.5
181.12244	1.7
183.11685	3.0
185.66328	1.5
187.14786	3.3
189.11192	3.9
189.12692	1.9
193.12325	1.6
195.13699	2.9
195.97693	1.3
197.13203	3.0
201.83743	1.5
227.12817	3.2
229.19475	3.7
235.17023	2.4
239.17917	5.6
247.20546	7.5
251.20018	3.8
257.18970	8.1
265.21616	1.9
269.17368	6.9
275.20032	70.2
276.20370	3.9
285.16943	1.6
293.21130	7.2
321.24423	1.9
349.19681	2.5
349.23752	33.2
367.24905	44.1
368.24878	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
53.77301	2.0
55.01861	11.0
55.05507	26.0
56.96547	2.7
57.03426	16.3
57.07057	2.5
57.84940	1.6
59.04988	2.9
61.15283	2.1
67.05496	52.7
67.06875	1.7
68.39953	1.8
69.03416	6.1
69.07060	28.1
71.04974	3.9
71.08603	1.9
71.22722	1.9
71.31354	2.3
71.31679	2.8
77.27275	1.8
79.05486	43.2
81.03411	6.7
81.07047	100.0
82.07368	3.4
83.04971	8.8
83.08601	11.9
85.06525	3.6
86.18548	2.4
86.81890	1.9
91.05465	37.5
93.07034	38.2
94.07355	2.1
95.01331	1.9
95.04952	13.6
95.08598	40.0
96.97968	2.0
97.06516	16.0
97.10117	4.4
99.08083	4.1
105.07029	35.5
107.04933	10.3
107.08579	28.5
109.06498	14.8
109.10156	18.9
111.08071	3.4
116.98463	2.7
117.07038	10.8
119.08559	36.8
120.08948	2.1
121.06489	6.5
121.10138	15.7
123.08057	9.1
123.11691	7.4
124.87492	2.2
125.09567	4.7
128.06224	2.8
129.07002	4.8
131.08537	13.8
133.06480	2.2
133.10115	26.0
135.08044	7.9
135.11703	10.4
137.09589	4.2
139.11153	2.6
143.08514	3.1
145.10109	15.5
147.08011	2.2
147.11662	24.8
149.09593	10.7
149.13235	7.4
150.09813	1.9
151.11174	5.2
155.08554	3.0
157.10118	6.8
159.07991	2.5
159.11684	13.0
161.09608	1.9
161.13222	2.2
163.11139	6.0
165.12767	6.0
169.10110	2.2
171.11722	3.3
173.13263	5.2
174.98959	2.5
175.11176	4.6
175.14735	2.1
177.12746	6.2
179.14186	2.7
183.11606	3.6
185.13300	2.4
187.11348	2.8
187.14854	2.9
189.11186	2.0
193.12181	3.5
193.40868	1.9
195.13902	2.3
197.13165	2.9
203.14296	2.5
217.15958	2.1
229.19437	4.1
235.16882	3.3
239.17899	3.8
247.20575	8.3
257.18942	7.2
269.17487	8.7
275.20023	52.4
276.20331	2.7
293.21094	15.8
349.13058	6.0
349.17062	4.2
349.23798	24.3
367.18124	3.3
367.24707	38.7
368.24985	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01862	19.0
55.05506	37.9
57.03431	23.8
57.07066	8.0
59.04979	2.3
59.44381	2.1
63.93353	2.0
64.36414	2.2
65.03920	5.7
67.05497	96.5
69.03419	7.2
69.07066	27.2
70.52607	5.1
70.52999	5.2
71.04983	7.7
71.08624	9.7
73.09516	2.1
79.05482	59.3
81.03404	15.7
81.06564	5.0
81.07050	100.0
83.04984	23.0
83.08609	23.7
85.06520	11.7
91.05476	73.4
93.03479	2.2
93.07034	52.1
95.04955	25.3
95.08595	48.0
97.06528	9.2
97.10172	6.6
99.08086	10.6
105.07018	63.5
107.04944	18.4
107.08585	54.3
109.06521	15.8
109.10151	53.1
111.04423	7.4
111.08070	7.1
113.05958	3.0
113.09628	2.2
117.06996	9.8
119.08573	25.1
121.06470	7.0
121.10131	19.0
123.04434	4.5
123.08052	11.0
123.11697	13.6
125.09660	11.4
127.07480	3.3
128.06203	2.7
129.07028	4.8
131.08549	20.1
133.06519	3.3
133.10117	82.0
135.08037	8.1
135.11678	12.4
137.09619	13.4
141.07060	2.2
143.08559	3.2
145.10107	19.1
147.08028	2.4
147.11674	12.5
149.09639	9.9
149.13254	5.4
151.11165	47.9
153.12776	3.4
155.08527	3.2
157.09976	3.5
159.11655	10.9
161.09642	5.5
161.13281	6.2
163.11153	12.5
165.09082	5.4
168.22649	2.5
169.12236	8.7
171.11623	2.8
173.09674	2.7
173.13271	8.4
175.11153	3.8
177.12750	7.3
179.10696	3.4
179.14333	3.0
187.11191	2.7
187.14713	5.3
187.29068	2.3
191.10611	2.6
195.13742	4.8
209.11688	2.6
210.78381	2.1
211.50005	2.3
229.19495	5.2
247.20610	6.5
253.14326	10.9
257.19034	6.2
275.20038	43.8
293.20950	13.8
313.17776	7.6
349.23691	14.1
367.24857	68.4
367.29590	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	367.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.9
55.05492	22.1
55.52057	6.2
57.07061	14.7
59.04996	7.5
67.05498	57.3
69.03416	9.3
69.07053	33.3
69.39021	45.6
69.39437	23.2
71.04994	9.3
79.05486	46.9
80.62643	6.9
81.07051	71.6
83.04972	9.0
83.08597	15.6
91.05468	59.3
93.07032	87.3
95.04954	43.3
95.08595	65.7
97.06489	18.6
97.10145	8.3
98.21507	14.2
100.01197	7.4
105.07016	98.1
107.08575	62.7
109.06516	19.5
109.10146	50.7
111.08084	10.1
117.06977	22.6
119.08573	100.0
121.06489	14.4
121.10129	64.6
123.08060	9.6
123.11700	18.6
128.06219	9.0
130.07851	9.1
131.08560	66.4
133.10121	70.8
135.08078	19.5
135.11642	23.0
137.09508	10.4
142.07791	24.6
143.08566	40.8
144.09268	10.3
145.10098	70.8
147.07968	8.7
147.11655	24.7
149.09608	24.5
155.08546	13.3
156.03366	7.1
156.09326	16.9
157.10046	64.0
159.11676	40.2
161.09593	48.3
161.13226	10.4
163.11137	11.1
167.08452	8.5
169.10066	17.5
170.10837	8.0
171.11658	29.8
173.13219	24.5
175.11180	15.4
175.14821	27.5
177.12692	9.7
183.11639	33.6
185.09673	13.7
185.13252	22.3
187.14827	18.6
195.11710	10.4
197.13272	15.8
199.14783	19.6
201.12727	9.4
201.16348	7.9
209.13220	19.6
213.12799	7.4
227.14252	18.8
255.17529	8.6
275.20056	11.9
349.25021	11.8
367.26120	16.5
367.30432	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	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01851	3.5
55.05502	18.1
57.03418	2.3
57.07064	9.1
59.04973	3.5
65.03918	4.3
65.87374	1.6
67.05495	38.5
69.03426	10.1
69.07058	23.6
70.90902	1.4
71.04987	7.7
79.05482	32.8
81.06566	3.3
81.07046	58.8
83.04950	5.4
83.08600	9.8
85.06516	7.2
91.05464	53.8
93.07031	88.8
95.04953	42.3
95.08595	58.6
97.06511	14.9
97.10138	2.8
98.20757	2.8
98.21432	5.2
99.08051	1.9
103.05430	2.9
105.04476	2.0
105.07018	91.0
107.08582	66.3
109.06498	15.4
109.09444	2.8
109.10144	44.7
109.10907	2.3
111.08056	6.1
115.05414	6.2
116.06204	5.3
117.07018	19.9
119.08566	100.0
120.09225	1.6
121.06493	11.9
121.10122	57.2
121.54149	1.4
123.08076	7.6
123.11687	14.2
126.68372	1.5
128.06194	9.8
129.06985	17.3
130.07793	7.4
131.04999	1.6
131.08551	57.8
133.06459	1.9
133.10115	61.5
133.49794	1.4
135.08049	19.4
135.11662	21.4
137.09592	6.5
139.11139	4.9
141.06961	4.8
142.07787	19.2
143.08542	44.4
144.00041	1.8
144.09332	12.5
145.06415	2.8
145.10103	70.0
146.07246	5.3
146.10712	1.9
147.08046	13.8
147.11678	20.5
149.09593	16.8
149.13275	2.3
153.06964	2.7
154.07735	3.0
155.08519	13.0
156.09346	15.0
157.10095	54.5
158.10925	8.4
159.08006	6.6
159.11671	37.3
161.09595	53.0
161.13177	9.7
163.11118	5.6
165.06941	5.5
166.07751	3.1
167.08527	7.7
168.09332	5.2
169.10110	19.5
170.10884	7.7
171.08081	3.3
171.11674	24.6
172.12376	5.8
173.09601	6.7
173.13243	27.8
174.10173	2.1
175.11166	8.2
175.14810	18.9
177.12677	2.7
179.08527	9.0
180.09259	4.6
181.10104	10.3
182.10898	6.6
183.11656	24.0
184.12416	4.6
184.36710	1.8
185.09538	4.9
185.13225	18.5
187.11072	4.4
187.14781	18.2
189.12733	4.6
189.16374	2.2
191.14323	2.7
193.10080	5.9
194.10876	8.8
195.11613	14.1
196.12335	5.0
197.13254	19.2
198.13988	2.0
199.11159	3.5
199.14798	17.0
201.12701	5.8
201.16327	6.7
206.10934	1.5
207.11632	6.0
208.12408	3.7
209.13232	25.7
210.13968	3.5
211.11163	1.7
211.14758	14.2
213.12737	5.3
213.16328	6.2
215.14253	2.8
217.15919	3.1
219.17369	3.2
221.13336	2.4
223.14751	7.4
224.15562	2.1
225.12817	3.7
225.16385	4.2
227.14267	21.3
227.17821	2.4
229.16028	2.6
231.17422	2.3
235.14813	3.9
237.12706	1.9
237.16386	4.9
239.14095	2.4
239.17905	8.1
241.19437	3.4
249.16301	2.8
251.17957	4.7
253.19485	3.7
255.17511	6.3
257.18939	4.2
261.16272	3.3
265.19467	4.9
266.19867	1.6
267.17413	4.2
269.18890	3.3
279.17377	3.1
283.20398	3.4
293.19070	3.8
349.25269	10.5
367.26321	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	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.7
55.05500	4.0
57.03432	27.1
65.24625	1.0
67.05496	12.8
69.03419	3.3
69.07072	17.9
69.73093	1.1
69.81992	6.6
70.06542	2.3
71.04983	2.3
73.06545	2.4
79.05471	3.4
81.03400	1.6
81.07035	4.4
82.40500	1.1
82.94290	1.1
83.04952	2.9
83.08617	9.1
85.02903	9.2
85.06528	2.1
91.05440	2.8
93.07063	1.3
95.08598	1.8
97.02871	3.7
97.06500	3.7
98.21523	2.1
98.97575	2.3
105.07029	1.5
107.08566	2.9
109.10151	45.7
110.10474	1.6
111.04396	1.3
111.08033	3.6
115.07559	2.4
116.98592	1.4
119.04939	1.7
119.08562	1.2
123.04424	3.7
127.03876	1.8
127.11179	68.2
128.11510	1.2
137.05885	1.1
139.03868	3.5
145.04945	1.8
147.04395	4.6
153.12711	5.5
155.14272	1.8
157.04927	1.2
161.81747	1.0
163.03870	3.3
171.13791	100.0
172.14114	2.7
174.42850	1.0
179.72807	1.0
189.12724	1.8
190.62561	1.0
195.13885	1.2
206.08067	1.7
207.06500	2.2
211.97603	1.1
214.08662	1.3
237.02855	1.9
247.02390	1.9
305.18094	1.2
327.07507	1.5
368.13440	1.3
369.15073	7.0
369.19189	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01864	4.0
55.05254	1.4
55.05507	15.8
57.03451	4.2
57.07081	0.9
58.06610	5.7
60.04523	17.7
61.90682	0.7
65.03942	0.9
67.05170	1.2
67.05498	16.0
68.05014	0.8
68.05826	1.9
69.03418	3.6
69.06711	1.5
69.07062	14.4
69.43296	7.5
70.06574	1.0
71.04987	5.6
72.04507	1.9
79.05484	16.5
80.05801	1.6
81.03403	2.1
81.06574	1.0
81.07048	18.8
82.07404	4.1
83.04977	3.9
83.08612	8.9
84.08142	6.2
84.08946	1.1
85.06532	3.6
86.09698	22.8
88.07614	3.3
91.05468	9.3
93.07040	13.3
94.06551	1.4
94.07358	1.7
95.04960	6.1
95.08607	8.6
96.08119	1.8
96.08937	2.0
97.06506	3.5
97.10165	13.5
100.07638	1.6
105.07022	7.9
106.07360	1.5
107.04926	3.1
107.08585	8.4
108.08096	1.7
108.08825	1.0
109.06517	4.4
109.10178	2.7
110.06055	1.6
110.06811	1.3
110.10463	1.0
111.08073	1.2
112.07587	20.6
113.06055	2.1
114.54278	0.8
117.06998	4.2
119.08585	5.7
120.08123	1.2
120.08900	2.0
121.06527	0.9
121.10126	7.2
122.09668	6.6
123.08073	4.5
123.11720	1.3
124.07593	1.1
125.09612	11.6
128.10710	25.4
129.06937	1.1
130.08603	2.3
131.05003	1.0
131.08549	4.5
133.10123	4.0
134.10448	1.2
135.08061	3.1
135.11688	2.8
137.09586	1.8
138.12755	3.4
143.08554	1.4
145.10097	3.3
146.10541	1.2
147.08066	1.4
147.11674	2.3
148.11119	1.6
149.09596	1.3
149.13303	1.4
154.08627	5.4
156.10143	1.7
157.10110	1.9
159.11652	2.7
160.12071	1.4
161.09581	1.3
163.11235	1.1
169.10121	1.2
171.11644	1.2
172.09706	7.9
177.12648	1.5
180.13829	11.0
187.11208	2.0
189.11244	10.4
195.13695	1.1
217.15854	1.1
221.15189	1.6
223.13283	3.0
272.20096	1.2
273.18512	3.8
275.19873	1.1
276.20505	5.6
290.21103	8.4
291.19412	6.5
296.73532	0.9
308.22168	9.6
327.08627	1.2
332.22171	2.3
350.23297	24.4
351.23654	1.7
368.24323	100.0
369.24579	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	368.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01880	4.6
55.05509	15.6
57.03426	6.2
58.06593	33.2
60.04523	38.8
67.05502	17.6
68.05017	17.9
68.05832	2.3
69.03413	4.1
69.07061	30.0
69.47575	15.5
70.06575	2.6
71.04984	5.9
72.04500	2.5
79.05489	21.3
81.03381	4.0
81.07044	27.6
82.06570	6.5
83.04963	7.1
83.08572	2.5
83.64857	1.8
84.08125	5.4
85.07258	1.9
86.09701	23.6
88.07626	2.6
91.05479	19.9
93.07037	21.8
95.04953	7.8
95.08600	15.6
96.08122	100.0
97.06527	23.6
97.08890	7.0
97.10125	2.1
98.20743	4.1
100.07612	16.4
105.07030	13.4
107.04927	6.5
107.08583	14.0
108.08099	2.9
109.06520	4.6
109.10143	8.9
111.08042	5.1
112.07635	2.3
114.09154	22.9
117.06990	6.2
117.29749	1.7
119.08565	16.2
121.06501	4.2
121.10154	11.6
123.08067	3.5
124.07565	2.0
125.09663	2.1
128.10710	14.5
129.06979	5.0
131.08553	11.9
133.06503	2.5
133.10109	10.3
134.10481	2.0
135.08023	15.3
135.11674	5.1
137.09616	6.6
138.09120	12.3
138.10020	2.3
143.08528	5.4
145.10109	8.7
147.08029	6.3
147.11668	6.6
149.09615	6.3
151.11128	3.1
156.10187	58.7
157.10168	4.4
159.11716	6.3
161.09648	3.5
161.13255	1.9
163.11189	2.0
166.57361	1.8
171.11607	2.4
177.12773	2.2
187.14748	2.1
189.12796	2.1
217.15807	2.5
227.17862	3.7
245.19043	4.4
255.17419	10.0
263.20032	4.0
273.18457	76.6
274.18866	3.4
276.20236	3.6
279.69522	2.0
290.21075	9.8
291.19510	27.6
308.22217	9.1
332.22012	2.2
332.48895	2.0
350.23264	14.3
368.24118	52.3
369.24573	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.91776	0.5
53.03938	0.5
55.05499	1.0
56.96546	1.3
57.03425	1.3
59.04979	0.6
60.04493	0.5
61.02911	1.2
66.47890	0.6
67.00048	0.5
67.05501	0.7
68.49587	0.5
69.03426	3.0
69.07042	1.0
70.06578	1.3
71.04982	0.8
71.61347	1.1
72.08155	0.7
73.02885	0.6
79.05467	1.0
81.03405	1.9
81.07027	0.8
83.04960	0.9
84.08135	0.6
85.02897	7.0
86.09680	1.0
87.04448	1.0
87.94617	0.5
89.03909	6.6
91.05457	2.3
93.07058	1.2
95.04942	1.8
95.08606	0.7
97.02887	2.5
97.06523	0.7
98.97569	0.9
99.04454	1.3
105.07015	2.0
107.04927	1.4
107.08588	1.4
109.02861	1.2
109.06503	1.5
110.06058	0.8
111.04457	0.8
115.07526	1.3
116.07085	0.8
116.07874	0.8
116.98622	1.3
117.03365	20.7
117.07014	0.8
119.04948	2.1
119.08547	1.3
121.02817	0.6
121.06446	0.6
121.10177	0.8
123.04441	2.7
123.08080	0.7
126.05466	0.6
127.03909	2.2
128.98564	0.9
131.08534	0.8
133.04944	0.7
133.06465	0.9
133.10120	0.7
134.03555	1.1
134.99632	0.6
135.04373	3.0
136.07564	3.6
139.03905	1.9
145.02829	53.9
146.03154	1.6
146.99567	0.6
147.04384	3.7
148.04744	0.9
149.05968	8.2
149.09485	0.7
150.05476	0.7
161.01189	0.6
161.05923	1.9
163.03899	2.9
164.07063	5.0
171.10188	1.0
172.10495	1.2
173.13298	0.8
175.03922	0.7
177.05455	100.0
178.05858	2.8
182.08118	4.6
186.05519	1.2
190.08626	1.3
203.03511	0.6
207.06403	1.7
207.13889	1.3
208.09654	0.8
219.01805	0.8
237.02682	2.7
237.10645	0.7
239.02429	0.9
291.14545	0.6
330.92761	0.6
331.10724	0.6
365.05408	1.1
369.15570	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1329
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03918	0.8
55.01859	1.5
55.05492	1.4
57.91330	0.7
65.03917	1.0
67.05486	1.5
67.85409	0.6
68.99782	2.0
69.03423	0.9
69.62663	2.3
69.63100	2.8
71.04981	0.8
79.05470	1.2
81.03397	1.0
81.07056	0.9
83.04957	0.7
85.02914	0.7
85.40735	0.6
91.05449	1.4
93.03387	0.9
93.07046	0.9
95.04958	1.7
97.02885	1.4
97.06496	0.7
98.20982	2.3
99.04420	0.8
100.16824	0.6
103.05443	2.2
105.07015	4.3
107.04897	0.7
107.08612	0.9
109.02837	0.7
109.10099	0.7
111.00780	1.5
111.04417	3.4
115.05438	1.5
117.07016	2.4
119.08575	1.3
121.02854	0.7
121.06454	0.7
123.04423	9.9
127.03862	0.8
129.06987	1.9
129.54599	0.6
131.04900	5.1
131.08539	0.6
131.40373	0.7
133.06503	1.2
133.10120	2.0
137.05965	2.7
139.03885	100.0
140.04228	1.2
141.06950	1.5
142.07799	0.7
143.08533	1.3
145.06477	1.7
145.10107	1.8
147.04396	1.7
147.08020	0.7
149.05965	7.7
151.03896	4.9
151.07512	0.9
153.05466	3.3
153.06795	1.0
154.07828	0.8
155.08505	1.6
157.06516	1.6
158.97571	0.7
159.08022	1.1
160.05177	3.1
161.05957	10.8
161.09569	2.4
162.06534	0.9
163.03885	22.4
167.07039	2.5
167.08463	0.8
169.06483	1.1
169.10117	2.1
171.08034	1.6
172.06813	0.7
173.05991	2.6
173.09630	3.6
174.06741	1.1
175.07489	4.3
177.05464	1.3
177.09047	1.9
178.07851	0.6
179.03380	13.8
179.08485	1.6
181.04910	0.9
182.07175	0.8
185.05933	1.3
185.09615	1.0
186.06754	1.9
187.07536	3.4
189.09108	12.5
191.07048	0.8
191.10648	12.2
195.08112	1.3
197.05946	1.1
197.09642	3.0
199.07486	1.4
200.08330	2.1
201.05417	0.9
201.09094	14.8
203.10657	1.7
205.04848	1.2
205.12378	0.7
210.06810	1.4
211.07443	1.4
213.05316	1.0
213.09091	2.5
214.06172	1.5
215.10674	11.2
217.08626	1.2
219.10123	16.9
225.09094	5.0
226.09879	1.4
229.04973	1.3
229.08583	1.1
231.10123	5.7
239.10614	1.2
241.08748	0.8
243.10103	7.2
247.07605	0.8
249.05295	0.7
250.06247	1.0
267.06268	0.7
267.10150	1.4
282.05319	1.0
283.06006	1.6
285.07455	1.1
295.06012	5.5
305.08191	1.4
308.06732	1.4
309.07483	4.3
313.07047	9.5
313.10471	1.0
321.07535	2.2
322.08344	3.6
323.09109	1.6
325.10709	3.6
333.10892	0.9
341.14050	1.0
351.12195	13.8
369.13293	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	369.133
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01873	1.2
55.05499	1.2
56.07326	0.5
56.96555	0.5
58.38267	0.6
58.80354	0.5
65.03928	1.3
65.42949	0.5
67.01871	0.8
67.05498	1.7
68.99775	2.0
69.03403	1.6
69.07043	0.6
72.24338	0.5
79.05477	1.3
81.03439	0.7
81.07025	1.4
83.04981	1.0
85.02887	1.2
85.06505	0.7
91.05470	1.4
93.03361	0.5
93.07031	1.0
95.04944	2.1
95.08597	1.5
97.02878	0.8
97.06525	0.9
98.20901	2.7
99.04452	1.3
103.05451	1.5
105.07017	5.2
107.04906	1.0
107.08624	1.2
109.10180	0.7
111.00808	1.9
111.04411	3.7
115.05447	0.9
117.06982	1.0
119.04929	0.9
119.08566	1.6
121.06532	0.6
121.10102	0.8
123.04422	9.4
127.03918	0.8
128.06230	0.8
129.07005	1.8
131.04887	3.0
131.08534	1.4
133.06465	0.7
133.10132	3.4
135.04416	1.2
137.05991	1.7
139.03888	100.0
140.04204	0.8
141.06952	1.3
143.08519	1.1
145.06490	1.6
145.10121	2.0
147.04402	1.7
149.05972	5.9
151.03893	3.0
151.07512	1.1
153.01799	0.6
153.05420	1.1
155.08508	0.9
157.06465	1.2
159.04350	0.7
159.08067	1.4
159.11658	0.9
160.05190	2.5
161.05966	8.3
161.09628	2.4
161.13324	0.8
163.03888	22.0
163.07562	0.8
163.11147	1.3
165.05438	0.8
167.03432	0.8
167.07021	1.7
167.08444	0.8
169.06471	0.7
169.10117	1.3
171.08051	0.9
173.06007	2.5
173.09625	2.2
174.06711	1.0
175.03883	0.9
175.07535	3.8
177.05458	1.4
177.09103	1.3
179.03384	11.5
179.08594	1.0
179.10638	2.1
181.04916	1.3
181.06357	0.6
185.05937	0.8
186.06773	0.7
187.07518	2.3
187.11139	0.9
189.05513	0.9
189.09067	7.7
191.07034	0.9
191.10652	7.7
195.08025	1.4
197.05942	1.1
197.09584	2.1
199.07527	1.6
200.08295	1.9
201.05460	1.6
201.09067	8.2
203.10649	1.6
205.04985	0.7
205.08690	0.8
207.10095	1.0
211.07420	0.7
213.09105	2.3
215.07193	0.9
215.10651	12.1
217.08583	1.3
219.10150	13.3
221.06026	0.8
225.05365	0.9
225.09128	3.3
226.09811	0.7
229.04951	1.3
229.08604	1.1
229.28957	0.6
231.10150	6.3
239.07010	1.1
243.10179	7.5
263.07016	0.7
267.06506	1.7
267.10065	0.8
276.07922	0.6
279.06638	1.2
283.06079	1.2
285.07596	1.1
295.06012	9.6
295.09348	0.9
296.06619	1.4
297.07706	1.2
307.09592	0.6
309.07654	2.2
311.05624	1.0
313.07059	19.5
313.10486	1.0
321.07635	1.4
322.08295	1.5
323.09152	1.3
325.10638	3.1
337.10754	1.1
341.13687	0.9
351.12152	9.0
369.13223	13.4
369.18689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
51.29213	0.8
55.01855	2.2
55.05499	1.8
56.96559	1.0
57.03418	1.3
63.40654	0.7
65.03915	1.5
67.05484	3.2
68.99775	3.0
69.03421	10.5
69.07056	1.6
69.54780	1.5
69.55187	4.6
71.04963	1.5
73.02902	0.7
79.05485	2.7
81.03402	3.0
81.07028	2.8
83.04960	1.6
85.02895	3.4
85.06547	0.9
91.04950	1.1
91.05468	11.3
93.03375	1.0
93.07023	3.0
95.04955	2.3
95.08586	3.4
97.02867	2.3
97.06517	2.7
99.04457	2.0
103.05466	1.9
104.97290	0.8
105.03392	1.5
105.07023	12.0
105.74599	0.7
107.04949	2.6
107.08570	3.2
109.02854	2.3
109.06492	1.2
109.10149	2.4
111.00783	1.9
111.04418	4.7
115.05443	1.8
116.98629	0.8
117.06984	2.2
119.04927	15.7
119.08597	5.4
121.06522	1.7
121.10132	2.0
123.04430	9.3
123.08024	1.7
127.03922	4.4
128.06187	1.9
129.07004	1.7
131.04921	5.4
131.08553	2.3
132.02095	0.7
133.06459	1.8
133.10109	8.8
135.04437	1.5
135.08022	1.1
135.11688	0.9
137.05954	3.0
139.03882	100.0
140.04227	1.2
141.06964	1.1
143.08546	3.0
145.06445	2.4
145.10107	3.2
147.04391	13.7
147.07953	1.3
147.11662	1.3
149.05980	5.1
149.09602	1.4
151.03914	4.0
151.07501	1.7
153.05450	1.5
153.06891	1.0
155.08496	1.7
157.04027	0.8
157.06458	0.9
157.10085	0.9
159.11746	0.9
160.05193	2.6
161.05978	8.1
161.09610	7.0
161.13225	1.3
163.03880	24.0
163.11145	3.2
164.04630	0.9
165.05437	1.5
165.06863	0.9
165.09047	1.0
167.03355	1.3
167.07016	3.0
167.08484	1.8
168.05594	0.9
169.10110	2.7
171.11684	0.8
173.05936	4.3
173.09616	2.0
174.06816	1.3
175.03891	23.2
175.07491	4.5
177.05444	1.8
177.09087	1.3
179.03369	11.0
179.07008	1.4
179.08524	1.5
179.10590	5.4
181.04961	1.2
183.11658	1.0
185.05931	1.7
185.09602	0.8
185.13190	0.8
186.06577	1.0
187.07509	3.3
189.05431	1.7
189.09071	9.2
191.10616	7.1
191.14372	0.8
195.08044	1.2
197.05959	1.5
197.09615	2.4
199.07483	2.0
200.08228	2.0
201.05412	1.8
201.09058	9.7
203.10542	1.4
205.08652	1.2
207.06500	45.7
207.09898	1.6
207.13803	1.3
208.06827	1.0
211.07449	1.3
213.09100	2.2
214.06140	0.9
215.07092	0.8
215.10658	10.2
217.08514	1.9
219.08070	1.6
219.10127	13.8
225.09087	3.6
229.04810	1.8
229.15688	0.9
231.10066	6.2
234.06473	1.1
235.07513	1.3
237.09032	0.8
239.06921	1.1
243.10197	7.5
245.07982	0.9
249.05458	1.2
277.08527	1.0
278.09003	1.1
281.11691	0.9
283.06030	1.6
285.07864	0.8
285.11191	0.9
293.08005	1.9
294.08804	1.0
295.05957	8.9
296.06668	1.3
297.07571	0.8
302.18994	0.8
307.09543	1.3
309.07562	3.3
309.10980	1.2
311.05646	1.4
313.07065	17.5
313.10553	2.1
322.08328	1.2
323.08972	1.4
323.15485	1.1
325.10632	3.1
337.10693	2.4
339.12158	1.5
341.13715	1.5
351.12012	8.0
369.06244	1.3
369.13275	17.4
369.18790	3.3
369.23636	1.2
370.13696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03928	3.3
55.01851	3.9
55.05493	5.1
55.30427	1.2
55.83784	1.3
57.03411	4.8
59.04963	1.5
61.02928	6.5
67.05493	7.9
69.03075	1.5
69.03419	21.9
69.07035	4.1
69.83936	6.5
70.06596	2.6
71.04986	7.1
72.08115	1.8
73.02889	1.6
77.30289	1.4
79.05482	5.0
81.03423	6.9
81.07028	6.3
83.04974	11.1
83.08551	1.8
85.02894	46.1
86.09673	2.5
87.04433	3.3
91.03959	1.4
91.05453	9.9
93.07040	8.3
95.04966	7.6
95.08572	5.7
97.02880	16.2
97.06478	2.2
98.20227	1.3
98.21336	2.9
98.97560	1.4
99.04434	3.9
103.03922	1.9
105.07021	21.1
107.04938	4.9
107.08585	12.0
109.02848	4.9
109.06499	7.7
109.10136	5.8
111.04422	1.6
112.71980	1.2
115.05414	2.7
116.98645	1.6
117.06989	2.5
119.04922	3.9
119.08578	15.2
119.51734	1.3
121.02944	1.3
121.06493	8.4
121.10133	12.6
122.07310	1.4
123.04401	3.1
123.08041	6.0
123.11652	2.8
123.29076	1.4
125.09619	1.7
127.03892	9.9
128.06227	1.9
131.08527	8.0
133.06447	4.7
133.10120	17.4
135.08015	7.6
135.11702	2.2
136.07578	2.1
136.08748	1.6
137.05948	4.1
137.09572	8.9
143.08508	6.4
145.04936	10.8
145.06383	1.7
145.10100	11.0
146.07158	1.6
147.04376	9.6
147.08012	8.5
147.11665	10.5
148.04721	1.8
149.05971	2.2
149.09602	48.5
151.03821	2.0
151.07483	2.3
151.09932	2.7
151.11163	52.3
156.09325	4.3
159.08029	5.0
159.11673	4.1
160.08821	4.1
161.09624	12.6
161.13205	9.3
163.03926	2.8
163.07393	1.4
163.11157	30.8
165.05510	1.8
165.09148	1.8
171.11674	8.7
173.09499	2.1
173.13181	3.2
174.10358	7.8
175.11147	3.5
177.05525	1.6
177.12727	2.5
179.10626	15.8
187.11183	3.3
189.09097	1.9
189.12709	55.7
190.13022	1.4
191.14284	64.0
192.14613	1.8
203.05096	1.6
205.12219	4.5
207.13777	100.0
208.14098	2.4
229.14345	3.8
237.02814	1.3
249.11269	1.4
276.88971	1.3
289.14023	2.1
325.16351	2.7
369.15054	15.6
369.19260	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01861	3.6
55.05500	2.9
57.03418	3.9
59.04981	2.2
61.02893	3.8
67.05483	3.9
69.03424	13.7
69.07056	2.9
70.06215	1.4
70.06579	3.2
70.97285	2.3
70.97623	2.3
71.04972	4.8
73.02905	2.5
74.13306	1.3
79.05473	5.7
81.03386	5.4
81.07032	7.9
81.36932	1.4
83.04971	7.4
83.08605	1.5
84.57010	1.4
85.02892	27.3
85.06496	1.3
86.09724	1.6
88.55755	1.4
91.05473	9.1
93.07020	5.0
95.04945	5.7
95.08585	4.7
97.02882	15.1
97.06526	2.8
98.20976	2.0
99.04467	3.5
105.07021	17.2
107.04942	2.3
107.08592	12.9
109.02855	10.6
109.06503	6.4
109.10126	4.5
115.03902	1.9
117.06989	2.4
119.04956	2.6
119.08576	11.9
121.06484	5.1
121.10134	9.6
123.08045	5.8
123.11679	3.3
125.09611	1.8
127.03892	7.8
131.08551	4.8
133.06494	12.4
133.10107	19.6
135.08023	6.7
135.11682	2.2
137.05910	2.3
137.09578	9.6
142.17517	1.4
143.08533	6.2
145.04961	6.5
145.06425	1.8
145.10057	5.3
147.04359	3.2
147.08014	7.2
147.11674	8.9
149.09602	32.4
149.13181	1.6
151.07600	1.6
151.11165	77.3
151.80045	1.5
156.09323	5.8
159.08008	8.9
159.11502	1.5
160.08879	2.0
161.05952	3.2
161.09607	8.0
161.13246	11.9
163.11153	24.0
163.14828	1.9
167.03389	4.7
171.11644	8.1
173.09607	1.6
173.13200	2.0
174.10391	28.4
176.03943	1.5
177.05466	1.7
179.10585	7.1
187.11166	2.7
189.12720	100.0
190.13043	1.7
191.14279	35.3
205.07065	2.5
205.12175	2.2
207.06384	2.1
207.09947	2.6
207.13780	84.0
208.14241	3.4
209.15402	1.6
213.12827	1.6
217.43802	1.6
231.95868	1.4
249.14769	1.6
325.15930	1.9
369.15036	29.9
369.19138	7.1
370.15390	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01854	2.4
55.05515	1.5
56.78253	0.5
57.03430	4.2
59.04985	1.6
61.02918	6.1
67.05503	3.0
69.03424	33.5
69.07053	1.6
69.30845	7.9
71.04977	2.0
73.02905	3.1
79.05481	2.5
81.03410	7.2
81.07048	2.8
83.04967	1.9
85.02898	32.0
85.06529	1.1
86.09694	0.9
87.04453	2.2
91.03941	2.9
91.05476	9.8
93.07041	3.5
95.04955	4.4
95.08613	4.6
97.02882	12.6
99.04436	3.4
100.11298	0.6
103.05462	1.0
103.97016	0.6
105.07022	7.6
107.04963	1.1
107.08595	3.5
109.02879	3.8
109.06505	22.5
109.10153	1.4
111.04450	0.7
111.08076	1.2
115.03948	0.6
115.05415	0.8
116.06203	1.2
117.06998	1.7
119.01902	1.5
119.04932	0.7
119.08575	12.0
121.06486	1.7
121.10123	5.0
123.08055	7.7
123.11725	0.7
125.05968	0.8
126.03726	0.8
127.03904	7.8
128.06187	1.1
129.06958	3.3
130.07759	0.6
131.04820	0.9
131.08562	18.0
133.06477	6.1
133.10130	3.8
135.08052	1.7
135.11649	0.8
137.03023	0.6
137.05959	5.1
139.03963	0.8
143.08546	3.2
143.78421	0.6
145.04947	5.8
145.06421	1.1
145.10101	6.2
147.08031	16.7
147.11671	4.5
149.09601	2.7
149.13135	0.7
151.07527	100.0
152.07861	2.3
156.09334	4.2
157.10173	0.7
159.07983	0.9
159.11693	1.3
161.02907	0.9
161.05974	2.4
161.09628	6.1
161.13234	2.5
163.03905	1.2
163.07610	0.6
163.11171	19.8
164.11504	0.9
165.09132	0.7
165.12770	2.7
171.11673	10.1
173.13235	1.0
174.10416	1.3
175.07568	1.7
177.05447	0.8
179.10623	0.7
185.13287	1.1
189.09126	1.9
189.12732	46.7
191.14267	10.0
196.52477	0.6
203.05229	5.7
203.14191	0.8
207.13786	71.6
208.14120	1.8
231.13829	2.7
248.14720	0.8
249.14854	0.9
267.10913	1.0
270.83411	0.7
275.88266	0.6
331.93149	0.7
341.06500	1.0
351.17184	2.0
369.05911	2.0
369.15057	29.4
369.18988	7.3
370.15338	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01865	21.4
55.05505	53.5
56.96545	2.9
57.03436	15.4
57.07087	4.8
60.04508	3.4
63.87161	2.1
65.03928	2.8
67.05498	100.0
69.03417	8.9
69.07059	45.9
71.04977	8.8
71.08621	3.3
71.61862	3.3
73.06551	2.1
75.56859	2.0
79.05048	4.1
79.05486	56.2
80.05843	2.7
81.03414	10.3
81.07050	97.7
83.04967	20.6
83.08614	20.7
85.06532	5.5
85.10125	2.2
91.05473	38.5
93.07033	63.1
95.04975	13.1
95.08602	58.3
95.09112	2.3
97.02885	3.0
97.06524	18.9
97.10162	27.8
98.20947	2.5
99.08081	2.5
105.07027	27.6
107.04932	2.5
107.08585	47.0
109.06516	5.1
109.10149	55.6
111.08098	5.2
111.11700	3.4
117.06993	10.1
119.08563	26.8
121.06474	3.5
121.10128	47.0
123.08055	10.6
123.11678	13.9
125.09620	19.0
129.06982	3.6
131.08528	12.8
133.10107	20.6
135.08052	6.4
135.11671	30.6
137.06026	2.4
137.09605	31.7
139.03882	3.6
139.11151	21.3
143.08545	3.3
145.10130	11.0
147.08015	4.7
147.11690	17.7
149.13187	13.2
151.11177	13.6
153.12749	5.2
157.10216	5.1
159.11679	7.4
161.09552	3.7
161.13251	7.6
163.11168	4.5
163.14793	4.0
165.09097	2.8
165.12770	4.4
167.14313	5.1
169.12236	4.5
171.11720	3.2
173.11728	6.1
173.13249	6.7
175.03935	3.2
175.14856	6.7
177.12700	3.0
179.14302	3.1
181.12270	11.3
185.13333	4.5
187.14764	2.4
189.11148	12.1
189.12651	2.5
189.16235	2.3
190.95358	3.5
192.20532	2.1
195.13676	2.6
199.14735	3.0
208.96460	3.8
217.08615	6.4
217.19518	2.1
228.77866	2.1
231.21077	4.3
241.19540	6.2
249.22122	15.4
250.97469	4.2
259.20605	18.2
259.23071	2.8
269.10593	2.9
277.21576	46.0
295.22638	21.4
327.08505	3.5
351.25119	15.9
369.13284	5.1
369.20303	2.3
369.26105	40.4
369.29932	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01852	2.5
55.05262	1.1
55.05507	16.6
57.03432	14.3
57.07066	12.2
61.04428	0.8
65.03935	0.8
67.05496	28.0
68.05830	0.8
69.03418	0.9
69.07057	14.3
69.63608	1.6
69.64008	4.7
71.04995	5.2
71.08618	1.4
75.45753	0.8
79.05053	1.0
79.05480	13.1
81.03407	4.3
81.07047	32.6
83.04968	6.2
83.08602	6.2
85.02892	3.4
85.06529	2.5
85.10172	23.6
85.87651	0.8
91.05468	13.9
93.07034	15.4
95.04963	11.9
95.08593	14.8
97.06512	3.3
97.10164	4.8
98.21480	1.0
99.08094	1.3
103.85744	0.8
105.07018	14.8
107.04928	3.7
107.08581	12.6
109.06485	4.6
109.10140	25.6
111.08099	1.9
113.09629	26.4
117.06985	1.8
119.08574	5.9
121.10132	7.7
123.08050	4.0
123.11691	4.3
125.09604	2.9
127.07510	0.9
129.06979	2.0
131.08553	3.8
133.10123	13.4
135.08154	0.8
135.11688	2.4
137.09587	0.9
141.12671	1.5
145.10107	2.5
147.11656	4.2
149.09584	5.9
149.13142	1.0
151.11189	7.7
153.12720	1.4
155.10623	1.1
156.57318	0.9
157.10112	1.6
161.13205	2.1
163.11250	3.9
163.14783	1.2
165.11366	1.6
165.12735	27.3
169.12186	6.3
171.11739	1.3
173.11682	1.2
175.11168	1.1
179.14317	2.8
181.12163	1.1
207.13753	1.6
231.21063	1.6
241.19281	1.3
249.22038	1.6
259.20514	3.1
277.21594	56.8
278.21863	1.3
295.22653	100.0
296.22919	1.8
351.25165	1.7
369.26361	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01869	9.0
55.05259	3.3
55.05507	56.2
57.03431	21.8
57.07055	7.3
60.46456	2.7
61.40189	2.2
65.03946	2.9
65.38597	2.3
67.05499	88.6
69.03445	4.9
69.07066	37.7
71.04982	10.8
71.06276	5.3
71.08620	40.6
79.05045	4.5
79.05488	62.3
81.03403	11.3
81.07050	100.0
83.04980	14.5
83.08608	38.2
85.06532	6.9
88.32024	2.2
91.05470	48.4
93.07030	76.5
95.04957	24.2
95.08601	55.2
97.06510	17.1
97.10146	18.0
99.08088	39.3
105.07024	37.2
105.07687	4.5
107.04940	3.3
107.08586	44.3
109.06528	10.8
109.10148	23.1
111.08092	8.8
113.09654	3.1
117.06979	14.0
119.08576	29.1
121.06525	2.3
121.10130	29.4
123.08072	4.3
123.11711	5.9
125.09626	15.6
129.06989	4.2
131.08553	11.3
133.10132	28.2
135.08089	4.7
135.11671	26.5
137.09599	2.9
137.13229	2.9
139.11201	5.4
143.08553	5.9
145.10089	13.1
146.19962	2.4
147.11684	15.5
149.09627	4.5
149.13251	26.7
151.11163	40.1
157.10091	5.4
159.11710	15.8
161.13261	15.0
162.96136	2.4
163.11174	18.4
165.12776	9.9
169.10194	2.6
171.11649	5.3
173.11711	10.5
173.13165	6.0
175.11200	4.4
175.14806	7.0
177.05490	2.9
177.12733	8.4
178.06116	4.0
179.14285	11.6
182.33733	2.6
185.13310	5.1
189.11166	14.6
189.12679	2.9
190.95485	3.2
191.00040	2.8
195.13773	13.5
224.38091	2.5
227.12779	8.9
232.96465	3.1
233.11670	3.7
241.19400	11.2
245.13850	5.6
249.22018	4.0
250.97594	4.5
253.17995	8.4
259.20590	11.4
269.17447	50.9
277.21609	67.6
295.22507	5.6
332.90106	2.5
351.25275	49.0
369.13589	4.2
369.26514	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	6.6
55.01860	21.2
55.05504	52.8
56.96550	4.0
57.03427	16.4
57.07069	3.6
59.04975	4.4
67.05496	93.9
69.03418	10.2
69.06713	3.1
69.07059	37.9
69.56708	3.8
69.57110	13.9
71.04970	8.7
72.10512	1.7
79.05482	53.6
81.03385	8.4
81.07046	100.0
83.04973	19.5
83.08611	20.6
83.21585	2.1
85.06519	7.2
88.64787	1.8
91.05464	37.7
93.06458	4.2
93.07030	68.4
95.04971	9.8
95.08591	62.4
97.02873	2.1
97.06528	19.1
97.10169	29.0
98.20778	3.9
99.08030	2.4
105.07027	23.4
107.04879	3.1
107.08586	55.2
109.06497	5.7
109.10135	56.1
111.04398	3.7
111.08035	5.7
111.11706	4.5
113.09655	3.2
117.06980	6.6
119.07792	2.7
119.08567	30.1
121.06528	2.3
121.10131	47.2
123.04402	3.1
123.08038	7.0
123.11704	14.4
125.09620	18.0
125.80318	2.0
129.06982	2.9
131.08586	10.2
133.10107	23.2
135.08009	7.2
135.11665	30.2
137.05910	2.9
137.09596	29.2
139.03932	2.6
139.11162	17.8
143.08594	4.0
145.10089	8.6
146.65575	2.1
147.08029	2.7
147.11650	16.3
149.13245	12.4
151.11168	17.2
153.09085	2.9
153.12743	4.1
157.10091	2.2
159.11655	5.3
161.13225	7.3
163.11180	4.8
163.14803	3.9
165.12794	2.6
167.10547	2.1
167.14264	4.0
169.12215	5.7
171.11679	6.1
173.11731	3.7
173.13177	4.4
175.14796	6.0
177.12769	3.0
179.10559	2.7
181.12198	8.4
185.13167	4.2
187.13371	2.3
187.14874	3.0
189.05391	2.9
189.11177	14.3
189.12698	4.0
190.95380	3.5
191.14125	2.8
207.13766	2.1
213.16296	2.3
217.08566	5.2
221.15271	3.8
231.21240	2.6
232.96489	3.0
241.19487	5.3
249.21951	12.2
250.97472	5.4
259.20526	19.6
265.06686	2.2
269.10629	3.9
277.21573	47.9
278.21707	3.4
279.56470	2.0
292.36011	2.3
295.22641	23.9
351.25345	18.0
369.13358	4.6
369.26077	51.0
369.29840	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01868	4.2
55.05505	26.9
57.03439	9.6
57.07074	3.6
63.17556	0.9
65.03944	1.3
67.05495	28.6
69.07062	13.4
70.07073	4.9
71.05009	1.9
71.08629	17.5
72.51870	1.0
79.05486	16.7
81.03381	2.0
81.07048	46.1
83.04987	3.6
83.08613	25.5
85.06544	3.6
85.10175	2.3
88.19635	1.3
91.05468	18.4
93.07030	24.3
95.04939	5.1
95.08597	32.5
97.06486	5.3
97.10184	4.2
99.08087	16.6
105.07023	33.6
107.04906	1.4
107.08584	28.0
107.09275	1.9
109.06531	4.2
109.10162	14.4
111.08067	11.5
112.67238	0.9
113.09665	4.2
117.07026	2.5
119.08565	28.6
121.10125	17.5
123.08067	2.8
123.11697	9.6
125.09666	2.1
125.89082	0.9
127.11158	1.1
129.07013	3.4
131.08572	6.0
133.10121	16.7
134.10703	1.2
135.11662	10.2
137.09628	1.4
137.13283	2.1
139.11218	3.2
143.08574	3.5
145.10089	8.4
147.11667	45.3
149.09610	1.9
149.13240	20.3
149.14342	1.3
151.11183	5.9
157.10092	5.8
159.11682	5.3
161.13246	15.3
163.11241	3.1
163.14781	5.8
165.12741	10.7
167.14398	2.1
169.10242	1.5
171.11732	4.3
173.13277	2.9
175.11243	3.2
175.14809	33.5
177.16365	10.3
179.14362	3.7
183.11728	1.7
185.13322	2.7
187.14835	2.2
193.12279	1.3
193.15891	1.9
197.13324	1.1
199.14890	2.9
201.16422	5.3
203.14343	1.4
207.13850	1.4
213.16414	1.6
221.15468	3.2
227.17923	23.4
227.20059	1.3
231.21141	1.4
241.19656	2.0
249.22264	2.8
253.19603	3.5
259.20630	4.9
277.21609	27.2
285.18564	1.4
295.22641	5.6
323.27286	29.0
324.27826	1.6
351.25317	6.5
352.25540	1.1
352.66821	1.0
369.27765	100.0
370.07214	1.2
370.28006	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	369.2783
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.55862	0.5
54.77622	0.4
55.05502	4.5
57.07051	0.8
67.05213	0.6
67.05500	5.8
69.07055	6.1
70.36828	1.0
70.37235	1.2
71.08602	0.9
79.05480	3.6
81.03388	0.5
81.06570	1.1
81.07048	16.5
83.08607	2.2
87.39844	0.5
91.05458	4.7
93.06445	0.9
93.07030	10.4
95.04962	1.1
95.08592	17.0
97.06507	0.6
97.10137	1.5
103.05381	0.5
105.07017	23.0
107.08585	15.8
109.10146	10.6
117.07004	1.9
119.08568	18.3
121.06428	0.5
121.10125	12.4
123.11702	4.8
129.06995	1.2
131.08574	4.2
133.10110	9.7
135.11682	5.9
137.06041	0.4
137.13271	0.7
142.07796	0.5
143.08525	2.9
145.10101	7.4
147.11670	33.3
148.12134	0.5
149.13246	13.0
153.09065	0.7
155.08536	0.7
157.10139	4.0
159.11668	4.7
160.12477	0.7
161.13245	9.4
163.14810	4.5
169.10103	0.7
171.11697	4.2
173.13300	3.3
175.14809	33.7
176.15152	0.8
177.16382	10.7
183.11676	1.1
185.13255	1.8
187.14748	4.2
189.16374	1.3
193.15874	1.4
197.13324	1.3
199.14801	2.0
201.16386	5.7
207.13776	0.5
210.50970	0.6
211.14754	0.7
213.16298	2.9
215.17917	2.0
217.15910	0.6
221.15297	2.2
227.17932	22.8
228.18401	0.9
229.19495	0.7
239.18002	2.0
241.19481	1.0
247.16905	1.6
251.07933	0.5
253.19528	3.6
267.20932	0.8
277.21625	1.0
285.18332	1.9
323.27292	31.8
324.27560	1.0
351.26688	1.5
369.27847	100.0
370.28195	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	370.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01856	0.8
55.05507	1.3
56.96544	0.8
57.03433	1.4
57.07067	14.3
59.04992	100.0
60.05322	0.8
61.02913	1.4
61.35381	0.5
67.05494	1.7
69.03413	4.3
69.07071	1.1
71.04987	0.9
71.61861	0.8
73.02918	0.8
77.06026	0.6
78.58695	0.5
79.05481	1.4
81.03421	2.1
81.07055	2.1
83.05005	0.6
85.02890	10.5
91.03953	0.7
91.05482	2.3
93.07049	2.2
95.04974	1.1
95.08594	0.9
97.02869	2.9
97.06543	0.7
97.10150	0.8
99.04447	1.0
99.08102	0.5
100.07634	0.7
103.05462	0.7
105.07015	2.9
107.04963	1.9
107.08598	1.8
109.02850	1.3
109.10158	0.6
110.82952	0.5
111.08070	0.8
115.05449	0.8
115.11188	33.6
116.98653	0.7
117.07002	0.5
117.09173	1.2
119.04962	0.7
119.08587	1.8
121.06532	1.5
121.10146	1.2
123.04464	1.4
125.06047	0.5
127.03944	1.9
129.06982	0.9
131.04910	1.3
131.08592	1.2
133.06479	1.3
133.10138	1.3
135.04514	0.6
137.02278	0.7
137.05994	2.0
139.03934	2.0
140.04239	0.6
145.04958	1.6
145.06467	0.9
145.10143	1.1
145.35194	0.5
147.04431	1.4
147.08078	0.8
149.05971	0.6
151.03883	1.4
151.07574	0.6
153.01793	0.7
155.08461	0.8
159.08102	1.2
161.06024	0.9
163.03954	1.1
163.11192	1.2
167.07031	6.5
167.08411	0.7
173.05945	0.9
173.15341	4.3
175.07599	2.3
177.05479	0.9
184.07355	0.5
187.07562	1.5
189.09015	0.8
191.07036	1.0
191.16394	45.4
192.16821	0.8
194.07359	0.7
199.07484	0.7
201.09164	1.1
206.07281	1.0
207.06465	0.6
207.08125	0.9
208.06816	0.7
213.09169	0.6
217.08545	1.1
219.08171	1.2
219.10172	1.7
220.10625	0.7
221.06029	1.0
222.06764	1.3
223.07634	1.3
224.08397	1.1
228.16013	1.1
233.09679	1.1
234.06937	1.1
235.07623	1.6
236.08295	1.4
237.05396	0.8
249.09067	3.8
250.06293	1.1
250.09889	1.0
251.07141	1.4
252.07817	2.6
253.08748	0.7
261.09167	1.1
263.07031	1.2
264.07922	1.4
265.08563	4.3
266.09280	2.5
267.09821	0.7
277.08649	1.5
278.09515	0.6
279.06656	0.6
279.10208	0.6
280.07291	3.7
281.08206	2.0
281.11349	0.6
285.07684	0.8
285.10867	0.8
293.08493	0.8
293.11813	3.7
294.08658	0.6
295.09656	1.5
296.10257	2.4
307.09567	0.9
309.11255	1.8
311.09698	0.7
311.12708	3.1
321.11206	3.0
325.10733	0.6
325.14578	0.6
338.11209	0.7
339.12219	24.3
340.12839	1.0
341.14008	1.7
353.14005	1.4
370.13916	2.1
370.19308	1.6
370.25754	1.2
371.07547	2.2
371.14853	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	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77814	5.8
53.03938	5.5
55.01871	10.7
56.96556	10.7
57.03427	13.2
61.02920	15.3
69.03425	36.0
71.29029	14.1
73.02901	23.6
81.03416	11.4
85.02895	78.5
87.04446	6.5
97.02886	38.5
98.97563	28.2
99.04472	8.1
107.04952	6.6
109.02897	9.2
116.53639	5.7
116.98612	19.5
119.01905	13.5
119.04906	6.5
123.36581	5.9
127.03884	40.5
128.98581	12.2
131.01903	10.4
134.99663	8.7
135.04344	7.0
137.05969	24.2
145.04929	23.0
146.99606	13.1
147.04375	20.9
158.99622	16.5
161.02902	13.6
163.03889	49.5
173.02940	14.3
177.00742	16.8
179.06955	6.5
182.03355	12.2
185.02989	12.6
189.00705	12.6
191.03931	19.5
200.04417	53.8
200.54546	6.7
201.00688	6.5
203.04022	11.7
219.01793	21.7
219.04958	6.5
221.05032	9.7
237.02792	20.0
245.04958	14.3
247.01570	8.9
255.04012	9.3
266.08020	14.9
272.08212	18.8
279.03818	9.4
281.07053	36.2
303.27020	6.5
304.53189	6.6
328.27670	7.2
329.02026	10.8
347.02899	7.7
348.03122	7.8
371.07187	100.0
389.11130	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	371.097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16288	1.8
55.01855	2.3
55.05505	2.7
56.96544	3.9
59.71997	1.8
69.03423	8.6
71.04987	2.3
71.60943	3.6
73.04737	11.7
79.86175	1.8
83.04946	4.4
84.02086	2.2
85.02889	5.5
89.03912	7.1
91.05793	83.4
93.03735	2.7
95.01320	16.6
95.04972	3.2
95.08610	2.0
98.97576	3.6
98.98444	2.8
99.04453	8.9
100.57083	2.0
101.05993	4.8
107.04948	6.0
111.04404	9.6
113.02384	3.0
113.21084	1.9
114.07373	4.7
116.85591	2.1
116.98657	2.5
117.03376	8.4
123.04401	10.3
125.02361	3.2
127.03925	6.4
129.05472	4.8
135.04402	23.1
137.02307	3.0
139.03902	3.8
141.01859	9.2
143.03337	4.6
145.02849	12.8
147.04417	3.2
147.06490	11.2
151.03912	2.6
155.03368	19.0
162.05431	2.3
163.03889	100.0
164.04279	3.7
167.05594	1.9
172.97064	1.9
173.04439	7.2
179.03413	10.0
209.04514	1.9
209.15239	2.5
234.04318	2.0
266.99829	2.9
267.32770	1.9
268.97778	17.1
285.00970	20.8
286.00766	2.3
303.01987	10.2
353.08670	4.4
355.06903	27.0
371.13104	6.1
371.17014	3.6
373.07797	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1485
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01793	0.5
55.05456	0.8
66.33818	0.4
69.03383	0.6
79.05413	0.8
81.07001	1.0
82.37526	0.5
83.04934	0.6
91.05415	1.2
93.06983	0.9
95.08543	0.5
98.21498	1.1
105.06938	1.3
107.04848	1.8
107.08506	1.3
109.06484	0.6
111.04366	0.6
115.05389	0.8
119.04839	1.2
119.08498	1.6
121.06462	1.1
121.10046	0.7
123.04322	1.5
129.17784	0.5
131.04851	1.5
131.08461	0.6
132.05705	0.6
133.06445	0.6
133.09976	0.7
137.05927	0.8
143.08502	0.7
145.06346	1.2
145.10059	0.8
147.04343	1.3
147.11595	0.6
159.07924	1.0
161.05862	0.7
165.05582	0.6
165.06915	2.0
166.07642	0.7
167.06963	2.4
167.08354	0.9
169.06346	0.5
169.10051	0.7
175.07466	1.1
177.05382	0.6
177.06831	0.8
178.07680	2.1
179.08516	1.1
181.06387	1.8
189.06921	1.3
190.07674	0.9
191.08467	1.5
191.14308	0.8
193.06367	1.4
194.07309	3.1
195.07941	2.2
203.08461	1.0
205.06383	1.2
206.07262	2.9
207.08026	2.9
208.08714	0.8
209.05870	2.0
209.09526	1.6
211.07434	0.8
215.08510	1.4
217.08257	0.7
218.07198	2.0
219.07980	2.1
219.10013	1.2
220.08925	0.7
221.06039	3.1
221.09605	1.1
222.06693	4.9
223.07397	3.2
224.08296	2.7
225.08937	0.7
231.08076	1.2
232.08801	2.7
233.09468	2.1
234.06729	4.7
234.10249	0.9
235.07465	6.8
236.08295	4.5
237.05487	2.5
237.09090	2.7
238.06099	0.9
239.06918	1.1
240.07655	1.3
246.06796	0.7
247.07524	1.7
248.08272	1.4
249.05385	1.2
249.09105	13.9
250.06149	3.7
250.09825	3.8
251.06897	4.1
251.10641	1.0
252.05099	0.7
252.07776	12.6
253.08516	3.7
260.08173	1.3
261.09015	2.2
263.06970	2.9
263.10190	0.5
264.07782	5.4
264.10458	0.8
264.11322	0.6
265.04947	2.1
265.08560	19.0
266.09329	11.2
267.09915	1.4
269.08041	0.7
275.10489	1.5
277.08627	4.7
278.06412	0.6
278.09225	3.1
279.06555	0.8
279.10001	1.2
280.07294	12.0
280.10593	1.1
281.08060	6.7
281.11249	0.9
291.06677	0.6
292.07031	0.8
293.08099	2.9
293.11661	12.5
294.08765	1.5
295.09598	5.1
296.07306	1.0
296.10376	9.1
297.10831	1.2
303.10077	0.8
306.08810	1.2
307.09708	0.7
309.11136	1.9
310.11899	1.1
311.09195	1.3
311.12723	10.8
312.09793	0.9
313.10629	1.4
321.11191	6.7
322.11475	0.7
324.09918	1.9
325.10696	1.3
327.12256	1.6
328.12653	0.7
339.12231	100.0
340.12753	9.6
353.13864	1.5
356.12558	0.7
371.14865	56.4
371.27194	1.4
372.15256	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	371.1487
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.03926	1.3
55.01853	2.4
55.05488	2.2
56.96539	1.0
57.03407	1.0
65.03920	2.6
67.05476	1.7
69.03420	6.0
69.07045	1.9
69.50860	7.4
71.04968	1.2
71.08601	0.9
79.05498	5.2
79.05872	1.1
81.03382	2.0
81.07023	3.6
83.04980	1.1
83.08600	1.1
85.02905	4.0
86.90972	0.7
91.05461	38.4
92.05782	1.2
93.07007	3.3
94.04142	1.1
95.04974	4.2
95.08565	2.6
97.02856	3.0
97.06505	1.6
98.20808	1.7
98.97545	0.9
99.14119	0.8
101.06004	2.1
102.55070	0.8
103.05437	2.9
105.07027	4.3
107.04943	11.3
107.08587	4.4
109.02860	1.8
109.06491	3.6
109.10122	2.0
111.04411	1.7
111.08049	1.7
115.05420	1.8
116.98598	1.2
117.06991	1.9
117.18816	0.7
119.04884	1.9
119.08576	1.8
121.06466	3.6
121.10093	1.6
122.03631	1.3
123.04412	6.8
123.08069	1.6
123.11702	1.1
124.05205	1.8
125.05935	2.6
125.09627	1.2
127.03875	2.6
128.06180	1.7
129.05496	1.1
129.07002	5.1
130.07419	1.0
131.04869	4.3
131.08525	2.3
132.05515	0.8
133.02766	1.1
133.06477	2.2
133.10110	2.3
135.04352	1.5
135.08000	2.4
135.11661	1.9
137.04990	1.2
137.05963	16.0
137.09631	1.0
139.03876	1.0
139.07501	2.6
141.06940	1.9
143.04898	0.9
143.08508	1.0
144.05721	1.5
145.06448	2.4
145.10107	2.3
146.03587	0.7
147.04407	5.6
147.06445	2.9
147.07988	1.6
149.05910	2.9
149.09560	2.0
151.03909	9.2
151.07492	2.9
153.01733	1.2
153.05424	1.5
156.05638	1.4
157.06482	5.1
158.07190	1.0
159.04352	1.8
159.08044	1.7
160.05145	1.0
161.05962	4.3
161.09593	1.6
163.03876	2.2
163.07521	1.5
163.11179	1.1
165.05469	1.9
165.07037	1.3
167.03334	2.0
167.07036	15.8
167.08444	1.1
169.06406	1.0
172.05205	1.5
173.13344	1.7
174.06744	3.2
175.03905	1.0
175.07507	3.4
177.05481	6.8
178.07764	1.7
179.03313	1.4
179.06970	1.1
179.08459	1.8
181.04930	5.0
181.06462	2.1
183.06546	1.3
185.05844	1.2
186.06693	1.2
187.07524	8.5
188.08214	1.4
189.05519	1.0
189.07024	2.7
189.09059	10.7
190.07745	2.0
191.07040	1.8
191.08510	1.9
191.10478	0.9
191.14246	6.6
193.08443	1.6
194.07231	1.5
195.08026	2.0
195.11702	1.0
196.08862	1.0
199.07491	1.1
201.09077	4.7
202.07753	1.7
203.03391	1.5
203.05254	15.3
203.08490	3.3
205.06419	2.1
205.10103	1.7
206.07182	3.6
207.08121	4.9
209.11665	2.7
209.15291	7.7
210.06602	0.8
215.08582	2.0
217.06516	2.1
217.08519	8.7
218.07253	7.0
219.07976	7.1
219.10114	7.4
220.08694	2.0
221.06030	1.6
221.09590	3.0
222.06728	2.6
223.07475	2.6
224.08241	3.3
225.09164	1.2
227.06821	1.1
231.08002	3.5
232.08737	3.6
233.09557	6.3
234.06731	8.4
234.10345	1.6
235.07477	7.8
236.08205	3.2
237.02937	1.1
237.05330	2.3
237.09091	4.1
239.06975	2.7
241.08368	1.0
242.05600	1.1
243.08154	1.3
245.05910	1.8
245.09401	1.0
246.06729	3.1
247.07504	6.4
247.09641	1.2
248.08244	4.4
249.06882	1.5
249.09108	19.7
250.06248	2.5
250.09750	4.5
251.07014	4.4
251.10587	3.3
252.07762	7.3
253.08311	1.6
257.07956	3.1
259.07468	1.8
260.08212	2.9
261.09091	17.2
262.06137	2.6
262.09668	2.7
263.06967	7.9
263.10184	1.5
264.07718	5.5
265.04755	1.0
265.05682	1.1
265.08609	13.8
266.09317	7.9
267.06555	1.1
267.09943	2.1
269.08096	1.6
269.13898	1.3
275.10483	2.1
276.07755	2.4
277.08566	29.2
277.11572	1.5
278.09357	13.0
279.06583	2.1
279.10065	9.2
280.07187	5.6
280.10458	1.7
281.07996	4.6
281.11597	3.3
285.07541	3.5
285.10822	1.0
288.07718	1.1
289.08527	3.7
290.09271	2.4
291.06763	1.4
291.10056	5.6
292.07407	1.2
292.10822	2.4
293.07977	4.7
293.11618	15.2
294.08728	2.8
295.09680	4.8
296.07065	1.2
296.10330	5.3
297.10941	2.6
300.09955	3.6
305.08008	1.7
306.08978	3.9
307.09576	5.5
308.10181	2.1
309.11057	9.7
310.11969	1.6
311.09280	1.5
311.12671	10.4
312.09851	1.3
313.10544	2.2
321.07678	1.3
321.11191	13.6
322.11703	1.5
323.09198	5.1
324.09811	1.6
325.07303	1.2
325.10654	3.7
325.14105	1.4
326.11325	1.9
327.12320	5.2
328.12830	1.2
335.09091	1.9
338.11481	1.6
339.12244	83.9
340.12830	7.9
341.10150	1.2
341.13794	4.2
343.11392	0.9
343.15286	3.1
353.10034	2.4
353.13748	11.6
353.20679	1.4
371.08130	6.4
371.14801	100.0
372.15250	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	371.1484
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01881	1.0
55.05500	1.5
57.03428	1.1
57.07063	0.9
57.75207	0.7
59.04990	8.9
60.05328	1.6
66.10847	0.8
67.05480	1.3
69.03410	1.3
69.07074	1.6
71.04971	0.8
71.61803	1.4
79.05499	3.5
81.03412	1.2
81.07052	2.6
85.02901	2.6
85.32142	0.6
88.89807	0.7
91.05418	4.1
93.07019	3.7
95.04964	1.3
95.08583	2.1
97.02882	1.4
97.06528	0.8
101.05998	0.8
103.05436	0.8
105.07012	3.1
107.04920	3.3
107.08584	2.1
109.06547	1.0
109.10144	1.4
111.04471	1.0
115.05502	0.8
116.11524	1.0
117.07015	1.1
119.04934	1.6
119.08556	2.9
121.06474	2.2
121.10110	1.7
122.03603	0.7
123.04435	3.2
123.08014	0.7
128.06218	0.7
128.47395	0.7
129.06941	1.6
131.04933	1.9
131.08545	2.1
133.06485	0.9
133.10138	2.6
135.08061	1.3
137.05942	9.1
139.03891	1.9
140.04234	0.9
143.08545	0.7
144.05717	0.8
145.06662	0.8
145.10095	2.1
147.04411	2.9
147.06451	1.0
147.11693	2.9
149.09677	0.8
149.13237	1.1
151.03888	2.0
153.01872	1.7
156.05687	2.1
157.06494	0.8
159.08055	2.1
159.11714	1.2
161.02800	0.7
161.05940	0.9
161.09644	0.9
163.03900	1.6
163.07516	1.2
163.11139	1.1
165.05516	1.7
165.06956	1.5
167.07008	5.8
171.11557	0.8
173.13225	1.2
175.03847	0.9
175.07571	2.0
175.14838	1.9
176.04704	1.3
177.05478	2.3
177.06906	1.0
178.07770	2.9
179.08525	1.3
181.06377	1.2
185.13165	1.0
187.07527	2.6
189.06984	1.2
189.09138	0.9
190.07782	1.5
191.08560	1.7
191.10605	0.9
191.14197	7.2
191.16548	1.5
192.16774	3.2
193.06531	0.8
193.08630	1.3
193.15895	0.7
194.07298	2.6
195.06451	0.7
195.08090	1.8
195.11873	0.8
196.08871	0.7
202.07785	1.8
203.06895	0.8
203.08559	2.4
205.06465	1.3
205.10121	0.9
206.07280	4.2
207.08081	3.3
208.08711	1.0
209.05975	1.7
209.09755	0.9
209.11540	1.1
209.15388	3.2
210.06645	0.8
211.07475	1.4
211.16862	0.9
215.08611	2.0
217.08479	5.3
218.07274	2.1
219.07968	2.4
219.10129	3.7
221.05956	3.0
221.09677	1.4
222.06665	4.3
223.07521	3.2
224.08273	3.5
225.09085	1.4
227.17911	0.7
231.08191	1.5
232.08810	2.7
233.06018	0.8
233.09567	3.1
234.06714	5.9
234.10237	1.4
235.07457	6.9
236.08217	5.4
237.05418	2.5
237.08954	4.2
238.09834	0.9
239.07045	2.7
239.10564	1.0
240.07669	0.9
241.08546	1.5
247.07416	1.8
247.09663	2.6
248.08156	1.9
249.05367	2.4
249.09062	13.6
250.06232	3.9
250.09862	3.5
251.06981	4.5
252.07755	10.1
253.08467	3.4
260.08237	2.2
261.09024	4.4
263.07043	4.0
264.07742	5.7
265.05096	1.9
265.08527	17.7
266.09357	12.3
267.10095	2.7
269.07892	1.5
277.08578	7.0
278.06125	1.3
278.09311	4.4
279.06470	1.9
279.09906	1.1
280.07300	13.0
280.10483	1.6
281.08026	7.1
281.11526	1.4
282.08258	0.8
283.09628	0.7
285.07526	6.4
292.10883	0.7
293.08023	2.3
293.11627	12.7
294.08755	1.7
295.09521	4.9
296.10385	11.0
297.07367	0.8
300.09854	6.4
301.10446	2.0
306.08740	1.5
307.09439	1.4
309.10922	3.9
310.11823	1.9
311.09225	1.1
311.12729	9.8
312.10065	0.8
313.10703	2.2
321.11218	7.6
322.11493	0.9
324.09821	2.6
325.10449	1.2
326.11545	1.9
327.12073	1.5
338.11884	0.8
339.12222	100.0
340.12775	10.8
341.13855	2.3
353.13849	5.7
353.20633	1.4
371.07388	2.5
371.14835	57.2
371.27029	3.3
372.15225	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	371.1486
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
50.54903	0.3
53.02963	0.3
53.74016	0.3
55.01855	0.4
55.05490	0.3
59.84029	0.3
67.05466	0.3
69.03391	1.3
69.07039	0.4
71.63330	0.5
79.05457	1.2
81.03385	0.4
81.07014	0.9
85.02868	0.8
91.05456	1.3
93.07026	0.8
95.04955	0.6
95.08571	0.4
97.02891	0.3
101.05983	0.6
103.05453	0.5
105.06980	1.1
107.04931	2.0
107.08560	0.7
109.02815	0.3
109.06475	0.5
111.04436	0.4
115.05428	0.7
117.07032	0.4
119.04943	1.7
119.08566	0.4
121.06492	0.8
121.10114	0.6
123.04419	4.8
123.08067	0.3
127.59040	0.3
129.05409	0.3
129.07004	0.8
131.04880	1.3
131.08572	0.7
132.05695	0.3
133.02786	0.3
133.06462	0.4
133.10143	0.7
135.04402	0.6
135.07990	0.3
137.05966	3.8
139.03879	0.7
141.06990	0.5
144.05652	0.6
145.06450	0.7
145.10146	0.4
146.07233	0.4
147.04391	3.0
147.06578	0.3
147.07880	0.4
149.05937	0.7
151.03883	4.0
152.06165	0.3
153.06923	0.6
156.05695	0.4
157.06483	0.4
157.10107	0.3
158.07201	0.4
159.04372	0.4
159.08011	1.1
161.05966	0.8
163.03928	0.4
163.14711	0.4
165.05435	1.7
165.06950	2.0
166.07672	0.5
167.06990	2.9
167.08524	0.7
173.06003	0.7
173.13242	0.5
174.06650	0.4
175.07516	1.0
176.04671	0.6
177.05429	2.7
177.06908	0.6
178.07732	2.2
179.07065	0.5
179.08441	1.4
181.06473	2.3
182.07080	0.3
183.08015	0.3
187.07443	0.9
189.06985	0.8
189.08998	0.4
190.07742	1.0
191.08521	1.2
191.14325	1.3
193.06497	1.1
193.08484	0.4
194.07237	3.3
195.08014	1.9
196.08711	0.7
197.05914	0.5
202.07782	0.7
203.08670	1.4
204.09293	0.6
205.06488	1.9
205.10144	0.8
206.07245	3.2
207.06424	0.4
207.08040	3.7
208.08749	0.9
209.05986	1.7
209.09615	1.5
209.15381	0.9
210.06648	0.6
211.07532	0.7
215.08517	1.3
217.06544	0.6
217.08467	2.6
218.07291	2.3
219.08002	2.7
219.10147	5.8
220.08691	0.9
221.05972	2.8
221.09621	1.3
222.06718	5.0
223.07498	3.3
224.08316	3.8
225.09172	0.6
227.06807	0.3
231.07982	1.2
232.08832	2.2
233.06030	0.7
233.09583	1.8
234.06723	3.4
234.10349	1.1
235.07474	5.6
236.08287	4.7
237.05504	2.2
237.09036	4.2
238.06136	1.0
238.09760	0.7
239.06960	1.3
239.10699	0.6
240.07788	0.6
241.08508	0.6
245.09540	0.3
246.06740	0.7
247.07452	1.7
247.09680	0.7
248.08298	1.6
249.05405	1.6
249.09073	13.6
250.06242	3.3
250.09766	3.2
251.07007	4.3
251.10408	0.6
252.07797	10.9
253.08383	2.4
254.09267	0.4
259.07336	0.5
260.08279	1.3
261.09027	2.2
262.06262	0.6
262.09760	0.8
263.06985	3.4
264.07788	5.2
264.10825	0.5
265.05045	2.3
265.08560	17.4
266.05908	0.7
266.09335	10.7
267.06473	0.6
267.10025	2.1
268.07410	0.5
269.07938	1.0
275.10684	1.0
276.07758	0.4
277.08563	5.2
278.05832	0.5
278.09286	3.2
279.06454	1.5
279.09930	0.8
280.07303	12.1
280.10690	1.1
281.08023	6.5
281.11197	0.5
282.08551	0.4
283.09610	0.3
283.13242	0.5
285.07642	1.5
285.10883	0.3
289.08606	0.7
290.09512	0.3
291.10233	0.3
292.07288	0.4
292.10675	0.6
293.08096	2.8
293.11676	11.8
294.08829	1.7
294.12048	0.7
295.09641	5.5
296.10385	10.0
297.10931	1.3
300.09854	2.4
301.10590	0.9
303.10019	0.8
306.08792	0.9
307.09506	0.4
309.11090	3.1
310.11844	1.5
311.09247	0.5
311.12738	9.0
312.09821	0.7
312.13141	0.5
313.10623	1.1
321.11151	7.2
322.11557	0.5
323.09167	0.6
324.09869	2.0
325.07245	0.3
325.10944	1.5
325.14218	0.5
326.11493	0.8
327.12238	1.6
329.09982	0.6
338.11368	0.6
339.12234	100.0
340.12781	9.2
341.13605	1.1
353.13809	3.3
356.12427	0.8
371.14853	56.0
372.15182	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03933	10.5
55.01856	7.7
55.05511	22.4
56.96544	3.3
57.03416	8.9
57.07067	14.8
59.04976	6.5
61.02908	10.3
67.05495	17.8
69.03419	48.3
69.07055	27.6
69.20666	2.9
70.00555	14.6
70.06571	11.8
71.04973	11.3
71.08613	5.5
72.08138	4.5
73.02911	4.3
79.05477	29.7
81.03409	18.9
81.07052	77.6
83.04973	42.8
83.08613	47.5
84.04510	2.8
85.02415	5.0
85.02895	72.0
85.06535	13.1
86.09692	7.3
87.04452	3.1
89.03914	4.4
91.05372	23.9
91.05857	6.7
93.07039	41.2
94.96347	2.4
95.01337	3.0
95.04346	5.8
95.04955	100.0
95.08604	26.5
96.04467	3.8
97.02894	31.3
97.06494	12.7
98.97577	5.4
99.04440	37.0
101.05987	6.7
105.06998	20.8
106.07362	3.1
107.04938	8.5
107.08580	50.3
109.02877	26.7
109.06512	68.9
109.10148	53.4
111.04439	7.3
111.08082	22.7
113.05937	3.6
115.07606	3.0
116.98611	7.3
117.03386	6.4
117.07027	2.4
117.45911	2.9
119.04930	7.6
119.08561	16.6
120.04464	2.6
121.06504	7.8
121.10130	65.3
123.04413	5.5
123.08053	9.0
123.11691	28.0
125.05973	6.3
125.09625	10.1
125.13260	4.4
127.03909	49.7
127.07528	5.9
129.05461	10.1
131.08537	10.6
133.06509	2.9
133.10141	32.1
135.04396	11.1
135.08063	14.5
135.11668	8.3
137.05962	7.0
137.09593	5.6
137.17757	2.3
139.07507	4.2
139.11169	7.3
145.02849	6.8
145.04935	15.9
145.10126	8.4
146.99597	2.7
147.04396	30.5
147.06499	8.5
147.11618	5.7
149.05954	3.0
149.09601	5.9
149.13245	41.2
151.03827	5.3
151.07536	3.9
151.11172	13.9
153.05475	16.6
153.09096	45.2
157.04866	3.3
158.11015	3.4
161.05898	2.9
161.09637	3.2
161.13225	3.5
163.03897	54.3
163.11165	3.4
163.14819	25.9
165.09094	3.0
167.07033	11.2
167.14291	55.8
169.04865	4.7
169.12192	5.6
171.10132	8.1
171.11563	2.9
173.13272	19.9
177.00630	4.4
177.05450	6.5
181.12177	9.0
187.05937	7.9
191.14284	48.3
195.06360	3.2
203.03377	3.9
203.14223	3.6
205.07043	11.7
209.04578	2.6
209.07962	4.8
209.15346	100.0
210.15675	3.0
214.08603	3.5
217.08606	4.0
233.15375	3.4
268.97739	4.9
275.16354	3.5
285.00854	7.0
335.18497	6.0
353.19589	11.2
355.06970	7.5
371.12680	7.7
371.16620	56.3
371.20749	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	371.206
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.35376	0.6
53.03941	0.9
55.01883	1.6
55.05516	2.2
56.05029	2.6
56.96582	1.3
57.03439	2.3
57.07064	1.3
60.52153	0.7
67.05512	3.4
69.03422	16.0
69.07048	4.0
70.06604	1.7
71.04990	1.6
71.60402	1.2
73.02909	1.0
79.05492	3.0
81.03407	2.8
81.04557	0.8
81.07052	4.7
83.04975	10.9
83.06094	1.0
83.08642	1.5
85.02895	9.0
85.06554	1.9
86.09687	1.0
87.04470	1.1
89.06016	5.4
91.05465	2.9
93.07036	4.4
95.04359	1.2
95.04958	23.2
95.08604	6.7
96.05276	1.0
97.02894	3.0
97.06538	2.4
98.97577	2.6
99.04431	5.6
99.08096	1.3
101.05982	0.8
102.14983	0.6
103.05475	1.5
105.07030	4.9
107.04987	1.9
107.08584	15.1
109.02870	1.6
109.06516	6.5
109.10163	2.6
111.08083	8.4
116.98592	1.7
119.04906	0.9
119.08589	4.3
121.06499	2.0
121.10130	11.1
122.06020	1.9
123.04424	5.7
123.08051	3.5
123.11708	2.6
124.07615	0.8
125.09614	21.3
127.03896	4.7
129.05499	1.4
129.06967	0.8
131.04912	2.0
131.08568	6.8
133.06499	1.1
133.08569	3.2
133.10132	10.0
134.99672	0.9
135.04373	1.1
135.08034	20.0
135.11656	5.0
135.81516	0.7
136.06268	0.9
137.05965	2.4
137.09619	1.6
139.03911	6.6
143.08513	1.9
145.04961	1.2
145.10106	3.6
147.04431	4.1
147.06487	1.6
147.08052	0.7
147.11639	4.4
149.05942	0.9
149.09586	11.9
149.13258	5.0
150.10397	3.7
151.03880	2.8
151.11165	1.5
153.09082	14.0
158.10912	3.7
158.99655	1.2
159.08055	1.2
161.05943	2.3
161.09612	2.4
162.05466	1.0
163.03870	2.2
163.07501	1.3
163.11157	7.3
163.14825	4.6
164.07047	1.5
164.10678	1.3
165.05414	1.7
165.07664	0.7
165.12708	1.4
167.07036	1.9
167.10625	1.4
173.13257	24.5
174.13663	1.2
175.07506	1.0
176.04628	0.8
176.11932	2.6
177.00673	1.5
177.05453	4.5
178.05009	0.9
180.06532	4.2
191.14288	95.1
192.06580	0.9
192.14627	3.4
193.07205	1.4
193.08740	0.9
209.15343	100.0
210.11232	4.9
210.15685	3.0
219.07808	1.5
219.10036	1.3
220.09694	1.1
233.09245	1.4
255.12045	0.7
272.08105	3.8
272.58044	1.0
277.08588	0.7
281.08652	1.3
285.00943	0.8
290.08942	0.9
309.11081	0.8
311.03931	0.8
311.12732	0.8
313.09329	1.2
317.17215	0.8
329.10266	1.1
331.10345	2.1
353.19568	5.2
362.61368	0.7
371.12207	5.7
371.16528	9.1
371.20532	26.6
372.20871	1.4
383.09949	1.0
391.23022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34771	0.9
55.01851	3.1
55.05498	2.3
56.96561	1.3
57.03419	2.4
57.07040	1.1
57.84202	0.9
59.04988	3.2
67.05489	2.6
69.03434	4.3
69.06767	0.9
69.07057	9.4
69.41179	1.9
69.41579	8.6
70.06615	0.8
71.04978	2.9
72.08172	0.9
74.57150	0.8
79.05478	5.4
81.03389	2.6
81.07057	4.5
83.04963	1.7
83.08598	1.6
85.02905	5.5
91.05414	6.2
92.48991	0.9
93.07030	11.0
95.04945	2.8
95.08608	6.6
97.02888	2.7
97.06503	1.6
99.04482	1.4
101.06036	1.7
101.70706	0.9
103.03979	1.0
105.07011	6.1
107.04942	4.8
107.08575	9.9
109.02889	1.9
109.06499	3.0
109.10140	2.7
111.04433	2.0
111.08059	2.0
115.05462	1.2
117.06981	2.5
119.04951	1.3
119.08575	5.9
120.33452	0.9
121.06491	10.5
121.10138	8.1
123.04442	2.6
123.08055	1.7
125.05981	1.5
127.03868	2.3
127.11170	1.2
129.06978	2.3
131.04898	2.3
131.08583	4.5
133.06451	1.8
133.10127	7.2
135.04416	0.9
135.08032	5.6
135.11684	5.2
137.05962	12.6
137.09601	2.8
139.03850	1.8
139.11217	1.4
141.06970	1.6
143.08531	1.6
144.05704	1.5
145.06456	1.8
145.10133	3.3
147.04402	2.6
147.06479	1.8
147.08115	1.1
147.11668	22.6
149.05980	2.0
149.09586	2.8
149.13225	5.4
151.03874	2.4
151.07559	1.9
151.11130	1.3
152.98329	0.9
153.01764	1.9
153.05453	1.2
155.18967	1.0
156.05659	3.5
157.06496	2.2
157.10121	1.3
159.04478	1.2
159.08029	3.5
159.11617	1.4
161.05896	2.3
161.09592	3.2
163.11171	1.8
163.14819	1.9
165.06935	1.2
165.12793	1.0
167.07039	12.0
168.40285	1.0
172.05165	1.1
173.13231	7.0
174.13568	1.0
175.07555	3.0
175.14810	3.0
176.12100	1.0
177.05481	1.8
178.07739	1.9
179.08521	2.4
181.04974	1.3
181.06476	3.3
183.11644	1.4
187.07535	4.1
189.06964	1.0
189.09106	1.4
191.07001	1.4
191.14268	67.7
192.14664	3.1
193.08568	1.8
193.15863	2.2
194.07272	2.9
195.08025	2.6
197.05911	1.7
199.07317	1.1
199.15219	1.0
202.06139	1.2
202.07846	1.3
203.08551	1.9
203.10469	0.9
205.06425	2.8
205.08281	1.2
205.10150	1.1
206.07222	3.5
207.08055	3.0
208.08611	1.6
209.05939	2.5
209.09607	1.8
209.15263	27.6
211.07544	2.0
211.16951	2.9
215.08493	1.6
217.06670	1.8
217.08549	9.7
218.07198	4.5
219.07991	3.2
219.09952	1.6
220.08838	1.2
221.06010	2.9
221.09647	2.5
222.06651	5.4
222.10228	1.2
223.07498	3.3
224.08273	3.3
226.06203	1.3
227.06905	1.0
231.07944	2.0
232.08743	2.5
233.05916	1.6
233.09595	3.3
234.06651	5.6
234.10335	1.3
235.07527	8.5
236.08199	5.8
237.05428	3.0
237.09096	4.4
238.06094	1.0
238.09755	1.6
239.07027	4.6
240.07581	1.3
241.08510	1.8
243.07979	1.1
246.06628	2.0
247.07468	2.8
247.09718	2.2
248.08337	2.8
249.09070	17.0
250.03815	1.0
250.06177	4.5
250.09752	5.3
251.06833	4.7
251.10591	1.1
252.07768	13.2
253.08540	4.2
255.06415	1.1
257.08167	1.1
260.08298	1.3
261.09131	5.5
263.06958	5.5
264.07773	5.6
265.05304	1.8
265.08560	22.4
265.11536	1.7
266.09286	15.1
267.09946	2.7
268.07108	1.1
269.08258	1.5
277.08575	7.8
278.09198	4.4
279.06516	2.1
279.10147	2.2
280.07281	14.5
280.10532	2.1
281.07996	8.3
281.11270	2.0
285.07620	6.8
286.08041	1.1
289.08377	1.0
293.08066	5.0
293.11670	12.2
294.08783	3.8
294.11765	1.7
295.09653	5.7
296.10394	10.1
300.09937	10.0
301.10483	2.3
306.08752	1.5
307.09479	1.9
309.07855	1.1
309.11133	4.8
310.11987	1.0
311.12793	9.4
312.09790	1.6
313.10709	3.0
321.11200	12.2
322.11667	1.7
323.09232	1.4
324.10074	2.2
325.10538	1.8
326.11560	2.5
327.12161	1.9
339.12231	100.0
340.12717	12.1
341.13760	3.4
353.13815	10.5
353.20740	2.1
371.04013	1.7
371.07983	9.5
371.14853	59.9
371.21890	2.1
372.07880	1.5
372.15662	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05501	1.8
57.03411	1.5
59.04995	1.6
61.02903	2.4
67.05489	2.1
69.03080	0.8
69.03427	11.5
69.07054	2.3
69.45721	6.0
69.46127	1.0
70.98708	0.6
71.04980	1.1
73.02884	0.9
77.92155	0.6
79.05473	1.5
81.03423	7.3
81.07035	3.2
83.04969	2.6
85.02898	28.5
87.04472	0.9
91.03942	1.3
91.05466	1.2
93.07020	2.2
94.24692	0.7
95.04951	3.2
95.08608	3.9
97.02894	8.4
99.04440	1.9
105.07011	2.8
107.08590	7.0
109.02867	3.1
109.06513	5.4
109.10143	3.2
119.08578	2.0
121.06474	1.2
121.10140	10.1
123.08099	3.5
123.11655	3.3
127.03911	6.3
131.08559	1.3
133.10110	3.1
135.07999	1.5
137.09622	9.0
137.13272	1.0
145.04929	5.9
145.10069	1.3
147.04401	1.4
147.11670	2.2
149.09610	8.6
149.13261	4.2
151.11168	18.0
152.11507	1.0
163.14748	0.7
165.12743	35.3
166.13113	1.9
167.07130	0.9
173.13248	3.2
191.14285	14.3
193.15898	2.1
209.15355	100.0
210.15735	5.7
219.10165	1.1
287.46829	0.8
294.38010	0.8
320.52551	0.8
339.12280	0.9
371.14871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56880	0.6
53.30313	0.6
55.01851	3.1
55.05509	2.9
56.05035	3.0
57.03428	1.3
57.07071	0.8
61.02900	1.3
67.05496	3.9
69.03421	5.1
69.07063	5.0
70.06570	2.0
70.77016	2.0
71.04964	1.4
71.08595	0.9
72.08157	1.3
73.02901	1.2
79.05479	4.3
81.03400	2.2
81.07038	4.4
83.04964	2.8
83.08612	1.3
85.02895	12.4
85.06535	1.8
86.09689	0.9
87.04431	1.1
89.03884	0.8
89.06013	0.9
91.05400	5.5
93.07034	8.3
95.04961	2.0
95.08595	12.3
97.02872	4.2
97.06533	2.9
99.04423	1.6
99.08074	2.3
99.99988	0.6
101.05991	1.7
103.05468	1.2
105.07021	7.0
107.04955	1.8
107.08581	15.9
108.08903	1.0
109.02856	2.0
109.06494	3.0
109.10151	2.2
111.04439	1.1
111.08064	0.9
117.03280	0.7
117.07001	2.7
119.04910	6.9
119.08560	7.1
121.06494	5.4
121.10128	8.0
123.04410	1.7
123.08039	3.4
123.11681	1.1
125.05946	0.8
127.03900	3.3
129.05475	2.7
131.04927	2.1
131.08539	8.0
132.05699	0.7
132.77521	0.6
133.06479	1.1
133.10118	18.8
134.10439	0.8
135.04414	1.0
135.08037	6.1
135.11667	2.2
136.07520	0.6
137.05991	3.1
137.09624	1.2
145.02887	0.9
145.04942	1.4
145.10104	3.9
147.04398	23.1
147.06300	3.1
147.08011	2.8
147.11668	26.1
148.11983	1.0
149.05952	1.2
149.09612	11.5
149.13252	13.4
149.14430	0.4
151.03902	1.6
151.11156	2.1
153.09106	1.0
157.10136	0.9
158.10858	1.5
161.05925	1.4
161.09599	1.3
163.03842	1.0
163.07538	1.1
163.11133	1.7
163.14758	1.4
165.05464	2.2
167.06982	2.3
173.13245	16.3
175.07605	1.0
176.11942	1.5
177.05421	5.4
179.06955	0.7
180.07890	0.7
181.04791	0.8
187.03841	0.9
189.05412	0.8
189.12776	1.3
191.06990	2.5
191.14282	91.1
192.07751	1.1
192.14682	4.4
193.08630	1.1
193.15941	1.0
201.08809	0.6
209.04396	1.8
209.15340	100.0
210.11223	1.7
210.15671	4.6
217.08574	1.0
219.10065	1.0
219.13748	0.7
220.09631	2.2
230.14648	1.0
250.04996	0.6
268.97995	0.7
285.00937	1.3
300.09818	0.9
307.09521	0.7
315.04825	1.3
327.08575	1.4
329.10284	1.1
335.18329	0.7
337.09293	0.7
339.12338	1.3
353.13870	2.0
353.19598	0.7
354.09369	1.0
355.08060	7.9
371.16846	13.0
371.21082	1.0
372.10715	5.1
372.14621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.85033	0.5
53.03929	1.0
55.01857	1.3
55.05494	1.9
56.05014	0.6
57.03413	1.6
57.07069	0.8
59.05000	0.6
61.02915	1.8
67.05494	5.7
69.03423	4.8
69.07062	2.5
70.06596	0.5
71.04981	2.2
71.18981	0.8
71.19292	0.5
73.02910	0.7
79.05484	2.4
81.03400	2.0
81.07036	3.0
83.04975	1.8
83.08601	0.7
85.02891	13.7
85.06545	1.1
87.04456	1.0
91.03952	0.6
91.05464	3.4
92.41943	0.5
93.07028	7.7
95.04966	1.0
95.08595	54.0
96.08928	1.1
97.02866	4.3
97.06519	11.7
99.04443	1.4
99.08094	1.4
105.07018	8.1
107.08581	7.9
109.02864	1.0
109.06496	1.2
109.10149	5.2
111.08065	0.9
113.06020	0.5
115.05460	0.4
115.07548	1.6
118.07756	0.6
119.04865	0.6
119.08561	4.4
121.06477	1.4
121.10130	9.7
123.04453	1.2
123.08053	1.8
123.11665	2.9
125.09605	1.0
127.03899	2.8
127.15243	0.4
129.07004	1.1
131.08566	6.5
131.36020	0.5
133.10114	100.0
134.10437	2.3
135.08040	2.6
135.11639	2.3
136.78831	0.4
137.06000	1.1
137.09557	0.6
139.11154	0.7
143.08548	2.1
144.09288	0.8
145.04942	4.0
145.10106	3.2
147.04398	1.5
147.11705	4.1
149.09618	2.8
149.13249	5.0
151.11165	10.6
151.12338	0.8
158.10902	4.2
163.06053	1.0
163.14806	4.8
165.12761	0.8
167.07011	1.1
173.13248	31.5
174.13538	0.8
177.05457	0.9
191.14282	41.0
192.14648	1.2
209.15355	8.8
305.16946	0.5
371.16873	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.61230	1.3
55.05502	2.6
69.03423	5.1
69.07073	1.7
71.46253	2.2
79.05476	2.7
81.07050	5.2
85.02888	3.2
91.05463	3.8
93.07014	3.2
105.07017	5.3
107.08591	15.3
109.06530	4.6
109.10147	3.6
117.07079	2.2
119.08571	2.2
121.06481	1.8
121.10105	11.8
122.07313	4.1
122.20955	1.5
131.08469	1.9
133.10109	100.0
134.10466	4.3
135.08046	8.7
135.11676	1.5
137.06024	1.6
137.09590	50.7
138.09882	2.2
149.13235	10.6
151.11212	1.8
163.14856	1.7
164.45335	1.4
173.13263	7.1
191.14268	46.4
209.15332	9.6
255.90686	1.7
339.12170	1.6
371.14856	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01857	4.1
55.05504	4.9
55.45548	1.2
56.96563	1.6
57.03430	2.5
57.07058	2.4
65.03925	3.6
67.05502	5.4
69.03419	41.5
69.07063	3.7
69.44691	9.4
70.06561	1.4
71.04975	2.6
71.08607	1.4
73.02892	1.2
79.05486	9.4
81.03410	2.8
81.07053	8.2
83.04964	5.2
83.08591	1.9
85.02895	11.2
85.06513	2.5
86.09713	1.2
87.04498	0.9
91.05463	52.2
92.05790	2.3
93.03407	2.8
93.07030	6.9
95.04943	5.4
95.08585	8.4
97.02869	5.2
97.06516	4.1
98.97611	1.1
99.04387	1.4
101.06005	2.5
101.38676	1.2
103.05476	2.5
104.45181	1.2
105.07014	7.8
107.04965	8.5
107.08582	13.4
109.02870	2.3
109.06487	7.0
109.10145	3.7
111.04444	3.4
111.08068	4.7
115.05462	1.7
116.98655	1.8
117.06991	2.2
119.04932	2.2
119.08607	6.4
121.06474	5.2
121.10124	9.8
123.04427	4.7
123.08062	3.8
123.11680	5.0
124.05189	1.3
125.05965	2.5
125.09612	13.3
127.03899	4.0
128.06200	2.0
129.05528	2.5
129.06981	8.6
131.04900	4.9
131.08521	5.8
132.05666	1.4
133.06490	2.2
133.10120	8.0
135.04410	1.7
135.08040	11.6
135.11700	6.0
137.05952	16.2
137.09700	1.1
139.03836	2.4
139.07565	3.0
141.06973	2.3
143.04910	1.3
143.08568	2.7
145.04900	1.5
145.06482	1.5
145.10138	3.9
146.99626	1.5
147.04393	4.2
147.06505	3.3
147.08040	2.2
147.11670	2.8
149.05940	3.6
149.09612	5.4
149.13289	3.7
151.03889	6.9
151.07541	2.3
151.11134	2.2
152.04686	1.2
153.05537	1.2
153.09123	5.6
156.05669	1.9
157.06464	5.7
158.07210	1.5
158.10919	1.6
159.04324	1.5
159.08058	2.9
159.11649	1.1
160.05165	1.3
161.05959	2.9
161.09634	2.8
161.73953	1.0
163.03914	1.2
163.07526	2.5
163.11171	2.4
163.14783	3.9
165.05476	2.6
165.07039	1.2
165.12685	2.5
167.03430	1.9
167.07031	17.6
167.10603	1.4
169.05104	1.0
173.13261	16.4
174.06757	4.5
175.07497	2.6
177.05460	6.3
178.07753	1.8
179.03439	1.8
179.08522	1.8
181.04936	4.2
181.06445	1.8
183.06487	1.8
184.25688	1.2
186.06776	1.3
187.07495	8.1
188.08165	1.5
189.07190	2.1
189.09094	11.1
189.80731	1.0
190.07776	2.4
191.06981	2.6
191.08575	2.5
191.14282	62.2
192.14647	3.4
193.08536	2.0
194.07225	1.7
195.07924	1.6
197.05991	1.3
201.09081	3.6
203.06900	1.2
203.08554	3.7
205.06503	1.9
206.02585	1.1
206.07300	4.9
207.08035	3.4
209.05960	1.2
209.07846	1.4
209.09792	2.0
209.11824	3.3
209.15344	57.3
210.15720	4.0
211.07588	1.9
215.08728	1.9
217.06616	1.6
217.08475	8.3
218.07202	7.0
219.08025	8.5
219.10182	6.6
221.06079	1.8
221.09712	2.1
222.06660	2.7
223.07541	3.2
224.08279	2.7
231.08061	3.5
232.08817	2.5
233.09598	5.7
234.06641	8.2
235.07481	9.7
236.08255	4.5
237.05406	1.9
237.09113	3.3
239.06985	2.6
240.07777	1.4
241.08778	1.5
246.06775	3.8
247.07500	8.3
248.08189	6.0
249.07039	0.8
249.09148	16.2
250.06265	4.1
250.09608	5.1
251.06982	4.7
251.10570	2.7
252.07741	7.5
253.08513	2.1
257.08112	3.0
259.07651	1.6
260.08237	4.0
261.09097	14.5
262.06381	2.7
262.09698	4.7
263.06979	6.5
263.10440	2.6
264.07724	5.5
265.08575	12.9
265.11240	1.5
265.12183	0.9
266.05573	1.4
266.09351	8.1
267.09943	2.7
268.97653	1.1
269.08096	2.5
269.13913	2.5
275.10571	2.0
276.07855	3.2
277.08566	24.9
278.06247	1.8
278.09192	10.4
279.07144	1.8
279.10144	6.9
280.07343	5.9
280.10599	1.4
281.08026	4.7
281.11594	3.4
282.08798	1.5
283.09595	1.1
285.07471	3.1
288.07718	1.4
289.08432	3.5
290.09143	1.9
291.06775	1.9
291.10129	6.4
293.08029	5.5
293.11670	14.2
294.08725	4.4
294.11874	1.7
295.09662	6.0
296.10352	6.9
297.07568	1.3
297.11136	1.5
300.09897	2.8
305.07996	2.1
306.08936	4.9
307.09506	8.0
308.10361	3.0
309.11053	10.9
310.11954	2.6
311.09372	1.8
311.12753	7.9
313.10678	1.9
318.20786	1.2
321.11154	13.2
322.11655	2.6
323.09094	5.3
324.09753	2.5
325.10645	3.4
325.14282	2.1
326.11484	2.8
327.12222	8.2
328.12842	1.4
335.09012	2.6
338.11301	2.6
339.12247	74.7
340.12613	11.0
341.13754	4.0
343.15338	3.3
353.10126	1.6
353.13803	14.5
355.06464	1.3
356.12479	1.3
357.13196	1.2
371.07401	4.6
371.14862	100.0
372.15323	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	371.206
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03932	3.8
55.01862	4.7
55.05487	2.8
56.74728	0.6
57.03435	7.7
58.64079	0.6
59.04985	1.1
61.02919	10.7
66.05634	0.6
67.05493	1.7
69.03421	33.4
69.07060	10.0
71.04985	5.5
73.02900	4.3
73.03230	0.7
79.05480	4.3
81.03407	16.5
81.07056	5.2
83.01314	1.2
83.04965	1.7
83.08598	2.5
84.44105	0.7
85.02893	88.5
85.06531	1.0
87.04446	6.3
91.03940	7.0
91.05412	3.6
93.07029	6.3
95.04958	17.5
95.08598	4.8
97.02878	29.7
97.06521	3.9
98.20771	1.5
99.04442	7.3
101.02384	0.7
101.05986	0.9
105.07007	7.6
107.04960	1.7
107.08579	10.0
109.02870	10.3
109.06506	8.4
109.10107	1.7
111.08025	1.6
115.03914	1.1
117.07005	0.7
119.04884	0.7
119.08568	6.4
120.08877	0.7
121.06489	7.6
121.10133	5.9
122.07272	4.1
123.04401	2.1
123.08047	18.1
123.11674	1.4
125.05976	0.9
127.03901	26.7
127.07500	0.7
129.05495	1.2
131.08533	2.7
133.06485	0.8
133.10114	5.7
135.08040	32.0
135.11656	3.4
136.08435	0.7
137.02321	0.7
137.05962	2.7
137.09557	1.4
139.07570	1.0
139.11110	0.6
140.69963	0.6
143.08510	0.9
145.04945	36.2
145.10094	2.2
147.06506	2.0
147.07956	1.0
147.11670	5.2
148.08745	0.7
149.09586	2.5
149.13223	1.8
151.03886	2.1
159.11694	0.9
161.05994	0.9
163.05983	5.0
163.11160	2.6
163.14810	1.4
165.05400	1.1
165.12732	60.5
166.13051	1.9
167.07040	5.0
167.10674	1.2
173.09529	0.9
173.13235	2.4
175.07584	1.0
175.11279	1.0
175.14780	4.0
176.11989	2.9
177.05540	0.9
177.12645	1.2
187.07545	1.4
189.09183	0.9
191.10664	2.1
191.14285	100.0
192.14621	3.2
193.15858	10.3
198.88103	0.7
201.09090	2.0
207.13765	2.4
209.11897	0.8
209.15340	14.3
215.10657	0.7
217.08643	1.3
219.10066	1.0
219.13808	0.8
235.07335	0.9
249.09012	1.1
261.09134	0.8
265.08542	1.5
293.11670	1.5
301.10843	0.7
309.16922	2.4
311.09314	0.8
321.11078	1.0
327.12152	0.8
327.17984	3.0
339.12305	4.7
353.13986	1.1
353.19620	0.8
362.78864	0.9
371.07324	1.1
371.15189	4.6
371.20587	68.0
372.20895	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
57.07059	2.7
63.01710	2.1
67.05494	4.9
69.03400	9.3
69.07063	5.9
69.64697	17.9
71.04987	4.8
79.05484	4.0
80.43738	2.4
80.95134	2.4
81.03426	4.7
81.07056	14.8
83.04989	13.2
83.08609	5.5
85.02902	14.6
85.06482	3.3
91.05463	5.5
93.07019	8.8
95.04953	24.3
95.08598	14.9
97.02864	3.6
97.06500	5.5
99.04435	7.0
99.08069	4.0
100.11263	4.9
105.06990	9.8
107.08579	26.7
109.02834	2.9
109.06508	7.8
109.10161	14.0
114.51243	2.2
116.96361	2.9
119.08549	6.2
121.06445	4.7
121.10135	28.2
121.78087	2.2
123.08045	6.6
123.11655	2.5
125.09605	13.0
127.03880	4.5
131.08548	8.3
133.10112	45.2
135.08038	10.6
137.06033	2.7
137.09659	6.1
139.11168	5.5
145.04829	3.1
145.10068	5.3
147.06604	2.7
147.11664	7.9
149.09584	9.6
149.13264	18.0
151.11162	73.2
153.09082	11.5
158.10890	4.3
163.14801	17.8
165.12747	7.8
167.07050	4.0
171.53297	3.4
173.13243	29.4
191.14290	100.0
192.14664	5.0
209.15335	82.5
210.15569	3.2
265.08597	4.3
277.08542	2.8
289.71671	3.1
296.10257	2.6
306.46143	2.8
339.12216	13.6
371.14911	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
55.05505	22.9
56.96556	6.5
57.03423	8.4
57.07065	18.8
63.79181	4.1
67.05490	15.9
69.03420	34.6
69.07070	20.7
69.47311	38.2
69.83681	4.6
70.06586	12.6
71.04987	7.8
72.21536	4.4
73.02899	7.4
73.04739	15.3
79.05480	18.2
81.03406	12.6
81.07044	49.8
83.04968	21.6
83.08598	32.1
85.02900	44.3
85.06557	3.8
87.65278	3.6
89.03895	6.5
91.05830	100.0
93.07030	27.7
95.01332	13.2
95.04977	13.6
95.08609	15.5
97.02882	17.0
97.06510	22.1
98.20792	7.9
98.97589	8.5
98.98454	4.5
99.04456	14.1
101.06026	10.9
105.07037	15.9
107.04926	12.2
107.08560	32.6
109.02846	10.1
109.06513	66.1
109.10152	45.7
111.04448	17.1
111.08111	10.7
114.07362	9.4
116.98630	6.3
117.03358	7.1
119.04938	10.8
119.08577	10.9
121.09557	3.3
121.10160	32.1
123.00772	6.8
123.04420	11.8
123.08078	8.6
123.11703	16.4
125.09612	5.2
125.13282	4.7
126.56772	4.8
127.03895	37.3
127.07523	4.3
129.05473	12.8
131.08516	10.7
133.06494	5.4
133.10104	36.5
134.99631	6.1
135.04401	19.4
135.08069	15.2
135.11714	5.4
137.05940	11.0
139.03952	4.3
139.07541	4.2
139.11166	5.2
141.01814	9.1
145.02844	10.8
145.04945	4.5
147.04384	37.0
147.06497	22.1
147.11668	5.2
148.04681	5.8
149.13263	26.6
150.05482	5.1
151.03947	9.9
151.11154	6.3
153.09099	17.1
155.03377	10.2
160.05058	4.8
163.03902	75.7
163.14833	12.4
164.04172	4.1
167.14308	34.2
171.10176	5.2
173.04424	4.7
173.13298	22.3
177.05478	4.6
179.03395	23.4
191.14278	64.3
199.06436	4.2
205.06914	4.1
209.04393	7.0
209.15363	38.7
227.16447	6.3
239.02473	4.9
243.29019	3.8
268.97812	27.3
269.97842	3.9
275.01419	4.3
285.00891	31.1
286.01065	5.7
303.02008	13.8
353.19345	6.0
355.06982	35.2
371.13040	11.9
371.17361	23.1
371.20837	7.7
373.08218	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	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75118	1.0
53.03933	2.5
55.01855	4.1
55.05503	39.1
56.96553	1.3
57.03431	15.6
57.07061	5.5
59.04985	2.6
65.03921	3.2
65.09397	1.0
67.05495	96.7
68.05828	1.5
69.03407	2.1
69.07058	48.1
70.07406	1.1
71.04979	11.8
71.08626	1.7
71.63410	2.0
71.63775	1.1
76.32321	1.0
79.05479	39.2
79.20848	1.0
81.03411	2.1
81.07045	100.0
83.04958	6.6
83.08603	20.3
84.48804	1.2
85.02917	1.1
85.06525	9.9
91.05441	17.8
93.07027	40.0
94.07387	1.1
95.04955	5.0
95.08591	85.5
97.06525	10.2
97.10154	13.7
99.08098	2.6
101.06028	1.6
105.07024	13.3
107.04951	1.7
107.08574	26.7
109.02862	1.3
109.06537	2.9
109.10141	49.9
110.10506	1.1
111.04447	1.4
111.08073	4.5
111.11721	3.6
117.06971	2.6
119.04932	1.5
119.08555	13.0
121.06586	1.2
121.10122	27.6
123.04414	13.9
123.08054	2.9
123.11690	19.0
125.09636	3.6
129.05455	2.6
131.08528	8.0
133.10121	9.5
135.08040	3.0
135.11667	19.7
137.09598	2.9
137.13243	5.6
139.03853	1.4
139.11166	8.3
145.10114	8.4
147.04420	9.3
147.06506	3.7
147.11668	9.7
149.05971	3.6
149.09621	2.2
149.13223	9.6
151.03885	10.6
151.11203	2.5
151.14825	2.6
153.09171	1.3
153.12758	3.0
155.10690	1.3
156.19456	1.1
159.11691	3.8
160.85924	1.2
161.05833	1.2
161.13231	8.3
163.11226	2.1
163.14789	4.8
165.05411	6.2
165.12749	2.5
169.04956	2.5
173.11732	9.6
173.13240	4.9
175.14833	2.8
177.05481	3.2
177.12682	1.9
177.16299	2.2
179.14340	1.8
183.11778	1.2
187.14812	2.5
191.14270	1.8
195.13826	1.4
201.08969	1.3
202.44691	1.2
209.15424	2.0
213.14896	2.9
219.10120	15.8
220.10452	1.4
223.16934	1.3
229.14337	2.7
243.21014	6.2
248.08827	1.4
261.22131	24.5
279.23138	44.5
280.23706	1.5
297.24213	1.5
302.69562	1.2
303.08862	2.6
335.25653	1.9
349.16763	1.4
353.26956	18.6
361.56982	1.2
371.14850	11.1
371.27902	48.0
372.28018	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	372.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
55.05505	2.1
56.05028	0.8
65.03929	1.0
67.05491	0.5
69.03425	2.5
69.07051	0.8
69.46120	0.4
70.06581	1.5
71.04977	1.3
71.63457	0.4
72.08142	1.0
79.05457	0.6
81.07059	0.6
83.04964	1.0
83.08601	1.4
84.02108	0.6
84.04503	0.4
84.08131	0.5
85.02911	2.0
86.09699	1.0
87.08065	0.3
89.05997	0.4
91.05459	7.5
93.07032	0.8
95.01321	3.9
95.04960	0.7
95.08575	0.5
97.02917	0.8
99.04430	1.9
100.07610	2.5
100.11260	3.9
105.07058	0.6
107.04948	0.9
107.08593	0.8
111.04436	3.0
113.02377	0.7
119.04935	22.0
119.08568	0.6
119.84633	0.4
120.05263	0.6
121.06447	0.5
121.10146	0.5
123.00839	0.4
123.04443	0.8
123.08070	0.4
125.02345	3.4
126.09127	0.5
127.03899	1.6
128.07069	1.4
129.05405	0.5
131.04945	0.4
133.06473	0.4
133.10098	0.8
135.08063	0.7
137.05952	0.8
140.07071	0.7
141.01764	1.9
143.03406	2.3
147.04399	100.0
147.46843	0.4
148.04765	4.0
149.02347	1.0
149.05998	0.9
151.03903	0.6
155.03365	4.7
162.96941	0.4
163.07561	0.8
165.05484	1.6
167.07065	1.2
168.06612	0.4
173.04407	3.4
177.05467	2.6
179.03381	13.9
182.15382	5.6
186.66046	0.4
193.14290	0.8
201.05522	1.4
209.04344	0.6
210.07506	1.0
210.14851	8.3
219.20320	0.4
220.09686	0.8
220.67752	0.4
227.17525	0.9
228.15933	1.5
229.97388	0.4
245.18558	0.6
263.47839	0.4
265.08636	0.4
325.10556	0.5
329.10184	0.7
331.32864	0.4
337.09143	5.3
337.21240	4.1
354.13800	0.4
354.23734	2.3
355.07919	0.6
355.22263	3.2
372.17624	2.6
372.24716	3.1
373.18503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1438
Annotation	Leptopinine
Peak:m/z	Relative Intensity
56.05032	62.7
56.30924	0.5
56.96586	0.8
57.03431	0.8
57.05380	0.9
64.10107	0.6
64.81209	0.5
67.05492	1.3
68.99796	1.6
69.03430	2.6
70.06581	1.9
70.54585	1.6
70.54944	1.0
72.08148	2.1
79.05489	1.0
81.03422	1.3
81.07052	1.3
84.04486	1.0
84.08131	1.0
85.02903	3.4
86.09704	1.7
89.03960	0.6
91.05410	3.2
93.07040	1.7
95.04942	1.4
97.02864	1.4
97.06480	0.6
97.80182	0.6
98.06071	1.0
98.97560	0.6
103.05454	1.9
105.07030	1.9
107.04966	3.0
107.08601	1.0
107.73143	0.5
109.02884	0.9
109.06581	0.7
109.10127	0.6
112.11292	0.6
115.05453	0.6
117.03345	0.8
117.06947	0.7
119.04947	6.9
121.06491	3.1
123.04420	24.8
124.03943	0.7
124.04771	1.2
131.04935	1.2
133.02834	1.4
133.06480	1.6
135.04419	3.0
135.11708	0.7
137.05994	3.9
139.03880	2.5
145.02849	0.6
145.04974	0.7
146.16505	1.0
147.04391	27.0
148.04730	1.2
149.05972	8.0
151.03900	1.2
154.68216	0.5
159.04405	1.8
161.05963	2.9
163.03926	2.5
163.07553	2.4
164.07152	0.6
165.05461	35.4
166.05737	0.8
167.07053	4.2
173.05981	1.1
174.05525	3.1
175.07468	1.2
177.05452	100.0
178.05779	3.1
179.07008	2.4
182.09354	1.5
183.27344	0.6
188.06917	0.6
189.05449	1.2
192.04727	1.8
193.04922	1.1
194.09407	1.8
201.05469	1.9
202.08650	0.7
207.06522	1.6
209.08038	0.7
210.08812	0.8
210.11145	0.9
211.00545	1.0
211.09258	0.6
217.82431	0.5
220.09671	60.8
221.10031	2.0
235.07295	0.8
239.04115	0.7
278.53156	0.6
284.83044	0.7
311.09070	1.4
317.10147	3.9
329.10187	29.4
329.15848	2.3
330.10529	1.1
340.12772	0.6
354.13745	1.0
354.27222	1.1
372.14282	30.2
373.14304	2.2
373.18402	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	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75160	0.3
53.03935	0.6
55.01876	0.4
56.96560	0.4
57.03436	1.2
57.07015	0.4
59.18652	0.3
61.02926	3.4
62.06081	0.5
69.03424	5.9
71.04978	0.9
71.53059	0.5
72.04507	1.2
73.02907	1.1
73.04746	0.4
74.06098	0.6
79.05474	0.9
81.03420	3.0
85.02906	15.9
85.03423	0.8
87.04469	0.7
89.03932	0.5
90.74197	0.4
91.03930	1.0
91.05383	0.7
91.05814	1.8
97.02891	6.4
98.97559	0.6
98.98447	0.6
99.04449	1.0
103.05460	2.5
105.07023	4.6
107.04967	1.3
109.02866	1.8
117.03428	0.5
117.05730	0.7
117.07012	2.3
118.06559	2.2
119.07317	2.7
120.08125	4.7
123.04493	0.5
127.03924	2.7
128.98604	0.4
129.06982	3.2
130.06516	0.5
131.04919	1.6
131.07239	0.9
134.03581	0.4
135.04384	1.0
145.04945	1.8
146.09645	6.9
146.99603	0.5
147.06570	0.4
161.02895	0.5
163.03893	2.9
164.10707	100.0
165.11008	2.1
171.06499	0.4
192.10158	1.3
210.11243	83.9
211.11609	1.8
234.11266	0.5
237.02782	0.7
286.00998	0.7
336.14514	0.5
356.07034	0.7
372.16495	6.4
373.15878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94944	0.2
54.09220	0.2
56.96560	7.1
58.28840	0.3
67.05485	0.3
69.28426	2.6
69.46347	0.2
71.95211	0.7
74.27918	0.2
74.97558	0.5
81.07005	0.4
97.96760	0.3
98.21288	1.0
98.97533	0.6
110.97547	0.5
116.98547	0.9
128.98578	1.8
131.00090	0.6
134.99594	0.6
137.02716	0.3
139.00659	0.3
141.02135	0.3
146.99648	2.8
149.01184	0.8
152.00294	0.2
155.03764	0.4
157.01668	0.3
161.01228	0.5
165.00671	0.7
165.04340	0.3
167.02298	0.3
167.03752	0.3
169.01811	0.2
169.05321	0.3
169.42496	0.2
170.01204	0.3
171.03285	1.5
173.04863	0.3
175.02690	0.5
179.02254	0.5
181.05348	0.3
183.03229	0.6
185.04836	1.7
186.01904	0.2
187.02789	0.4
187.06386	0.4
189.04329	1.7
199.06422	2.9
201.04388	0.3
203.05878	4.3
205.01797	0.3
205.05414	0.3
205.09222	0.3
210.01978	0.4
211.06361	0.7
212.03419	0.4
213.07924	0.5
215.05788	0.3
217.05316	0.4
217.07448	6.9
219.03349	0.4
221.06883	0.6
222.08003	0.3
223.02809	1.5
223.06403	0.4
223.08459	1.1
224.03476	0.3
225.04283	0.4
225.07857	0.4
226.05040	0.9
226.07277	0.5
229.07516	0.4
231.06944	0.6
231.08963	0.5
235.08418	0.4
237.04337	3.4
237.07916	0.7
237.10023	0.3
238.05096	0.3
239.09486	0.7
240.09015	0.7
241.03772	0.5
241.07422	0.5
244.06137	0.4
245.10580	0.4
249.07988	0.4
251.05885	0.6
251.09337	0.5
253.11154	0.9
255.05434	1.3
255.08891	0.4
257.10522	0.5
258.04047	0.3
260.05930	0.5
262.08728	0.6
265.07391	0.2
267.09006	1.8
271.12122	0.8
277.10898	0.4
279.09015	0.9
280.09723	3.4
281.10394	0.7
285.10162	1.2
297.10110	0.7
298.10696	1.6
299.11417	0.3
303.11246	0.4
307.15759	1.5
325.16803	0.8
331.15689	15.7
332.15939	0.7
349.16812	100.0
350.17172	3.5
367.17889	5.1
372.18414	22.5
372.34393	0.4
373.18582	1.5
390.19330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80855	2.5
53.03942	4.0
55.01869	9.0
55.05503	16.1
55.34926	2.5
56.04414	2.9
56.96555	9.5
57.03434	8.7
61.02911	6.2
65.03928	7.0
67.05499	60.2
69.03419	16.2
69.07058	15.7
69.47781	17.5
69.48191	7.6
71.04979	6.7
73.02926	4.5
76.20632	2.7
79.05485	75.1
81.03413	41.6
81.07047	64.2
82.03142	2.4
83.04962	19.6
83.08615	12.3
85.02885	8.3
85.06518	5.2
89.03905	5.6
91.03925	3.8
91.05465	79.6
91.05991	5.5
92.05772	2.7
93.07034	47.2
95.04961	25.6
95.08595	25.5
97.02891	8.6
97.06526	10.8
97.10172	4.5
98.20784	6.7
98.97575	3.9
103.05475	5.2
105.07018	58.5
107.04956	13.7
107.08585	28.7
108.20182	2.6
109.06509	9.6
109.10123	16.3
111.04434	7.1
111.08068	6.1
115.05429	9.0
116.97174	2.5
116.98615	3.4
117.03404	4.3
117.07014	16.1
119.04956	3.0
119.08559	38.7
121.06510	6.3
121.10123	21.6
123.04421	2.8
123.08101	4.4
123.11693	8.5
125.05981	5.8
125.09676	3.0
127.03941	3.0
127.07533	3.8
128.06227	9.7
129.07011	32.3
131.04892	6.7
131.08559	31.5
133.02837	15.9
133.06537	3.0
133.10120	43.7
134.03633	6.4
134.99632	3.5
135.04419	15.4
135.08014	6.2
135.11694	13.3
137.09607	5.2
141.07008	8.0
142.07785	4.5
143.04918	3.5
143.08546	10.0
145.02798	3.7
145.06410	5.9
145.10081	16.5
147.04414	9.6
147.08046	9.4
147.11650	32.7
149.01216	7.7
149.06001	10.4
149.09636	6.8
149.13258	5.3
151.03949	3.7
151.11139	2.9
153.05507	3.2
153.07002	4.4
155.07201	4.9
155.08517	3.8
156.03578	4.4
157.06479	13.7
157.10124	30.3
159.04454	14.0
159.11717	14.6
161.02325	34.2
161.05939	6.6
162.03117	12.8
163.03883	90.2
163.05197	4.6
163.11143	6.4
165.06995	3.5
165.12718	3.7
167.02280	3.4
167.06972	5.8
169.06342	5.5
169.10208	4.5
171.04398	5.8
171.11507	2.5
173.02316	27.5
173.05899	5.9
173.09656	4.1
173.13255	3.9
175.03946	3.1
175.11179	23.3
176.11967	31.1
177.00757	3.9
177.05417	3.4
177.12755	11.1
179.03435	3.3
181.06467	5.4
183.08112	4.0
183.11609	4.8
185.05949	17.4
187.03894	37.8
187.14830	3.3
189.05594	6.3
193.06612	3.0
193.12167	19.7
195.08046	3.1
195.11647	3.3
197.06027	7.7
199.03911	29.4
199.07631	5.0
201.05513	6.8
205.04948	4.5
209.09473	3.4
211.07555	6.1
211.13271	7.7
213.05450	77.5
217.04984	7.4
221.13202	3.5
225.05479	24.4
227.07062	8.8
227.10661	3.5
231.06595	15.3
239.06998	15.1
243.08789	3.5
244.09492	7.7
253.08510	6.6
267.09164	6.0
267.13708	6.3
285.10126	13.5
291.19635	6.6
292.12445	22.5
292.62662	7.9
309.14905	18.9
311.12854	5.6
319.13354	15.2
325.12308	3.9
327.16025	6.4
337.14285	100.0
337.18152	5.0
337.21420	8.4
338.14789	5.9
355.15381	37.7
355.22363	14.7
373.18451	4.3
373.23538	35.9
373.27921	5.2
378.66107	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	373.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09452	2.2
52.66045	2.4
53.03940	5.3
55.01852	7.0
55.05507	18.0
56.96560	5.8
57.03415	5.4
60.40543	2.3
61.02910	5.0
65.03909	4.9
67.05167	3.2
67.05498	45.7
69.03409	13.6
69.07066	11.4
69.77267	18.0
71.04968	7.9
73.02892	4.0
74.43243	2.3
78.72474	2.2
79.05055	4.0
79.05482	60.7
80.06287	3.2
81.03414	30.2
81.06576	3.2
81.07050	49.4
83.04989	11.8
83.08610	9.4
85.02878	9.1
85.70319	2.2
89.03880	3.5
91.03926	2.7
91.04893	3.3
91.05464	63.3
91.71872	2.4
93.07027	36.3
94.07838	3.1
95.04948	22.2
95.08589	17.5
97.02888	6.1
97.06487	4.9
98.24632	2.6
103.05451	5.7
105.03330	3.7
105.07011	44.3
107.04927	8.8
107.08612	14.1
109.06510	6.0
109.10158	13.6
111.04400	3.1
111.08076	4.3
115.05444	8.8
117.03351	5.1
117.07015	8.0
119.08575	29.5
121.06505	4.8
121.10123	10.4
123.04387	6.6
123.08049	6.1
128.06184	6.6
129.06993	22.3
131.04945	4.1
131.08569	17.2
133.02820	9.6
133.06458	9.1
133.10120	33.9
135.04384	9.0
135.08015	3.4
135.11679	10.4
137.09566	4.4
139.03931	2.9
141.06993	6.4
142.07727	6.4
143.04855	3.7
143.08516	5.4
145.02824	3.6
145.06479	4.1
145.10016	5.4
146.26321	2.6
147.04388	10.2
147.07996	4.9
147.11652	26.1
148.29054	2.3
149.05931	3.7
149.09573	9.4
149.13278	3.6
151.07414	2.6
153.06972	4.1
155.08507	3.5
157.06479	19.1
157.10114	17.4
158.10857	3.8
159.04404	13.8
159.11682	6.0
161.02327	24.7
162.03059	10.4
163.03882	67.7
163.11096	2.9
165.06955	2.8
165.12756	3.7
171.04402	4.3
173.02327	29.2
173.05928	5.4
175.03902	6.9
175.11150	25.7
176.11951	41.6
177.12759	8.1
179.03339	3.1
181.06490	3.8
183.08018	3.5
185.06027	16.5
187.03870	38.9
189.05472	5.2
191.03372	5.5
193.12236	19.2
197.05954	7.0
199.03876	25.7
201.05464	6.9
203.03403	3.0
203.05618	3.4
211.07497	4.2
211.13283	11.3
213.05440	62.2
213.08723	3.0
217.04939	10.5
225.05466	21.9
227.06958	9.1
229.04919	3.1
231.06480	31.9
239.07025	19.0
243.08766	4.9
249.05550	3.2
253.08429	6.9
257.65506	2.5
267.08902	12.5
267.13611	14.0
277.12183	2.3
283.13388	3.1
285.10025	28.8
286.10126	4.0
309.14734	14.1
311.12634	8.6
311.16052	4.7
319.13348	14.2
327.16016	4.5
337.14319	100.0
348.15131	4.2
355.15363	32.4
355.22534	2.7
356.16168	2.4
373.16214	6.1
373.23517	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	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
52.13220	0.3
55.05490	0.4
56.05033	4.5
57.05344	1.2
66.26652	0.3
69.03422	0.8
69.07017	0.3
70.06586	0.9
71.04981	0.4
72.08159	1.8
72.45689	0.3
78.34283	0.3
79.75895	0.3
81.03413	0.5
81.07055	0.5
84.04480	0.4
84.08125	0.5
85.02886	1.0
86.09678	1.8
90.33550	0.3
91.05441	0.8
93.07018	0.5
95.04970	0.8
97.02853	0.5
105.07021	0.4
107.04933	1.0
107.08594	0.4
108.04492	0.5
109.10145	0.4
116.98635	0.7
119.04957	0.6
119.08551	0.4
120.08022	0.4
123.04436	2.4
124.04787	0.7
131.04919	0.5
135.07999	0.4
137.05984	1.2
139.03908	1.3
145.02786	0.6
147.04369	2.2
148.04759	1.0
149.05974	0.8
151.03941	0.5
163.03865	0.8
163.07486	0.6
165.05469	1.8
166.05826	1.7
167.07002	1.0
168.06575	0.5
177.05455	5.8
177.06866	0.7
178.05792	5.1
189.12299	0.4
201.05475	0.9
211.09666	0.5
211.13083	0.5
213.54315	0.4
220.09691	2.7
221.09966	3.4
229.16454	0.4
287.05194	0.4
305.47891	0.4
323.10352	0.5
325.10605	0.4
329.15677	20.9
330.10651	2.0
330.15915	0.9
341.10907	0.4
355.12158	0.5
373.14615	4.6
373.18320	100.0
374.14175	0.6
374.18674	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59189	1.8
52.75743	1.8
53.03939	3.2
55.05500	6.5
57.03430	4.9
57.07051	3.8
59.05004	2.1
61.02908	6.8
67.05488	10.7
68.45618	1.8
69.03419	19.6
69.07064	12.0
70.69745	6.0
71.04984	6.8
73.02901	3.5
75.97590	1.8
79.05494	4.6
81.03397	8.6
81.07047	17.1
83.04972	6.3
83.08612	6.3
85.02894	79.9
85.06540	4.8
86.31348	1.8
91.03962	4.4
93.07026	11.6
95.08591	38.2
97.02868	17.7
97.06523	6.8
97.10165	4.1
99.04427	4.3
99.08073	4.4
105.07021	7.0
107.08577	21.4
108.04541	2.1
109.02850	10.3
109.06507	9.2
109.10150	59.4
111.08068	5.5
111.22108	1.6
115.07539	3.5
119.08558	23.4
121.10118	13.3
123.08059	14.2
123.11713	11.8
127.03918	19.2
133.10123	26.1
135.08105	3.1
135.11673	60.0
137.09607	16.0
139.11154	6.3
145.04932	22.7
147.11719	2.5
148.74545	1.9
149.13222	10.0
151.11200	6.2
151.14786	7.0
153.12762	2.7
163.06027	8.4
163.14693	3.0
167.07057	4.7
175.14813	40.8
177.16331	2.8
181.15851	14.4
193.15860	54.8
195.17451	3.2
210.32893	1.8
211.16914	100.0
239.11826	3.9
242.59462	1.9
253.09642	2.0
267.11279	6.4
295.10522	2.6
313.11780	13.9
314.11896	3.0
333.48965	2.0
341.14026	2.2
343.11826	2.1
373.13696	29.4
373.22247	6.1
374.14246	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	373.2217
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05497	7.2
57.07066	2.1
61.47491	1.9
64.97488	2.0
65.36957	2.4
67.05498	16.6
69.03423	5.9
69.07052	11.8
71.05003	3.8
79.05490	4.6
81.07045	15.2
83.04980	9.9
83.08607	6.9
85.02894	9.2
85.06533	3.6
91.05469	4.4
93.07034	7.7
95.08604	28.4
97.06531	2.3
98.21130	12.0
99.08117	3.0
101.52980	2.0
105.06999	3.6
107.08576	14.1
109.06522	8.6
109.10146	90.4
111.08073	6.8
111.11871	1.8
113.09655	3.1
119.08566	34.9
121.10140	11.8
123.08028	9.8
123.11687	8.6
130.81389	2.0
133.10123	20.1
134.10457	2.5
135.11676	100.0
136.11971	3.8
137.09612	14.3
149.13240	8.3
151.11172	8.3
151.14813	12.1
153.12755	2.5
165.16356	4.2
175.14806	42.5
193.15854	64.8
194.16263	2.5
211.16896	77.3
212.17305	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	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01858	0.9
55.05503	3.5
57.03413	1.8
57.07061	1.1
59.04985	0.5
61.02922	1.3
62.73774	0.5
67.05498	5.2
69.03439	4.3
69.07056	4.5
70.22062	1.5
70.22480	1.7
71.04970	2.6
73.02905	0.9
79.05489	1.9
81.03402	1.5
81.07053	6.0
83.04964	2.1
83.08609	3.0
85.02895	15.3
85.06532	2.0
91.03925	1.1
91.05477	1.7
93.07031	5.0
95.04971	0.8
95.08602	13.7
97.02868	3.5
97.06510	1.4
97.10152	1.4
98.21151	1.4
103.05470	0.7
105.07004	2.7
107.04939	0.9
107.08585	6.8
109.02886	1.5
109.06507	2.0
109.10145	24.0
111.08068	10.1
119.08569	11.3
121.10127	6.0
123.08061	10.7
123.11703	5.3
125.09614	2.2
127.03911	2.2
127.07509	0.7
133.10121	11.2
135.11690	14.3
137.05989	0.8
137.09602	23.6
137.13197	1.2
138.10385	1.5
139.11182	1.1
145.04945	2.0
147.11664	2.8
149.13231	5.5
151.11177	1.3
151.14778	2.4
161.05876	0.6
165.12772	3.4
165.16353	1.9
167.07018	1.4
175.14809	22.5
176.15121	1.2
193.15871	21.2
209.09435	0.6
211.16910	100.0
212.17235	2.8
236.07146	0.6
311.12906	0.8
313.11502	0.7
329.13809	0.9
341.12921	3.2
346.53812	0.6
373.14142	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	374.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23697	0.6
56.83529	0.7
56.96539	1.3
65.03931	0.9
69.03420	1.3
69.07058	0.9
70.06575	0.8
71.61345	0.7
81.03398	1.6
83.17607	0.6
85.02893	3.0
86.09686	3.7
86.24578	0.7
90.29806	0.7
91.05458	11.6
97.02878	2.1
98.97572	0.8
101.66095	0.7
115.90556	0.7
116.98550	1.0
117.03360	1.7
119.04082	1.2
119.04932	24.7
120.05228	0.7
123.04358	1.6
126.10237	1.1
127.03931	1.7
134.99678	0.9
137.06007	0.7
139.03885	1.4
145.02847	4.4
145.04921	1.0
147.04395	100.0
148.04782	1.3
159.26151	1.0
163.03897	2.2
166.91812	0.7
177.00714	0.9
177.05453	10.1
194.08163	1.0
195.06554	3.6
279.41837	0.8
358.07666	1.0
374.14828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19213	0.3
53.03946	0.7
54.09076	0.3
57.03429	1.2
58.14273	0.3
61.02921	2.5
63.02357	0.5
69.03421	4.2
69.90821	0.8
69.91238	1.1
70.06615	0.3
71.04978	0.7
73.02905	0.7
77.42649	0.3
79.05525	0.3
81.03419	1.9
84.28558	0.3
85.02898	15.7
89.03902	3.1
91.03951	1.1
91.05466	0.6
94.95249	0.3
97.02884	4.2
98.21468	0.5
99.04470	0.9
106.04234	0.5
109.02880	1.2
117.03365	12.3
121.06470	0.3
127.03901	3.4
134.03615	1.1
135.04416	1.9
145.02832	40.8
145.04939	4.2
146.03168	1.3
147.04401	0.7
149.05962	6.2
153.05440	0.6
162.03110	0.5
162.07573	0.3
163.03903	3.1
163.05945	0.4
177.05450	100.0
178.05795	2.7
180.08681	1.7
186.05534	0.9
195.06511	52.4
196.06879	1.0
212.09352	0.4
261.99991	0.3
266.84280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42969	0.3
70.06522	0.3
70.17341	0.3
71.06302	0.8
91.05377	0.4
98.98451	1.7
107.08513	0.4
118.06522	3.2
118.61179	0.3
124.99987	8.2
132.07968	1.0
133.08809	0.7
134.09579	0.4
137.76837	0.3
144.06982	0.4
144.08054	5.6
146.09550	1.0
153.01808	0.4
158.09641	2.5
159.10391	1.1
160.11174	0.4
162.09163	2.4
165.05504	0.3
167.96690	0.3
172.11166	2.1
176.10747	1.4
176.14330	16.2
177.09077	0.3
177.11400	0.8
179.59497	0.3
190.12210	1.1
202.15884	45.0
203.16212	0.9
204.17084	0.3
206.08029	0.4
212.09082	0.3
212.12738	0.3
220.16933	100.0
221.17403	1.8
240.12125	0.6
268.11664	0.4
296.11145	0.4
300.13553	9.7
314.11969	1.4
315.05048	0.6
334.03174	0.6
356.16293	0.6
374.05014	0.5
374.17465	22.3
376.34860	0.3
393.01517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	27.5
70.25346	1.9
71.95258	2.9
72.96037	1.2
74.97596	1.8
81.07050	0.6
82.98851	0.4
84.96017	2.1
88.40134	0.4
88.87452	0.4
92.98620	0.5
97.96811	1.7
98.20901	0.8
98.21458	0.6
98.97577	0.9
102.62321	0.4
102.97049	0.5
106.37133	0.4
110.97549	3.8
115.97829	1.4
116.98597	1.0
123.01163	1.3
128.98575	11.4
129.02068	0.4
129.09094	1.5
133.98865	1.9
134.48904	0.5
134.99655	0.5
137.02765	0.7
138.12898	0.5
141.02238	0.9
146.99632	16.8
149.01166	0.6
152.00116	1.1
155.03758	1.1
161.01215	3.3
161.04851	0.8
165.00703	4.4
170.01233	1.8
171.03262	1.1
175.02748	1.4
176.03516	0.8
179.02258	1.8
181.05263	0.6
189.04312	2.1
190.05032	0.6
191.52039	0.5
193.03792	0.9
194.04594	0.6
203.05922	2.0
207.05116	0.6
208.06247	0.8
209.04836	0.6
209.08548	0.6
217.07484	0.8
223.08331	0.8
227.09418	0.5
231.08994	0.5
241.11072	1.2
245.10458	1.2
252.10252	1.5
259.12250	1.7
263.09497	5.3
264.10217	0.7
265.11023	0.6
270.11401	1.0
277.11136	0.8
281.10577	2.1
282.11188	0.7
283.12289	0.6
286.11115	0.6
289.11188	0.5
303.12656	2.1
313.14700	1.3
315.16245	36.1
316.16724	2.0
321.13687	1.3
331.15689	3.0
333.17319	100.0
334.17636	5.9
351.18372	47.8
352.18689	2.0
356.18927	21.5
356.28598	0.6
357.19223	1.3
369.19623	1.0
374.19955	8.7
374.31866	0.6
375.20233	0.8
397.21588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.2
55.05490	13.2
55.96904	2.6
56.05849	3.6
57.03417	8.6
57.07049	5.0
59.05000	3.2
61.02899	7.9
66.82313	3.0
67.05489	17.3
68.05811	5.5
69.03082	3.1
69.03408	21.2
69.07056	20.8
70.03725	5.8
70.06573	9.0
70.07380	4.9
71.04976	9.0
71.63537	4.5
73.02881	5.6
79.05481	9.7
81.03416	7.4
81.07049	27.4
82.07378	7.0
83.04961	10.6
83.08632	6.1
84.05314	3.5
84.08948	3.9
85.02891	87.3
85.06534	8.0
86.03224	14.8
86.09707	3.6
91.03934	5.3
91.05466	12.9
93.07027	17.6
94.07403	3.2
95.04953	6.1
95.08600	45.8
96.08934	18.9
97.02885	19.0
97.06506	6.5
97.10168	4.4
98.03183	3.1
99.04413	3.3
99.08044	3.7
105.07032	22.3
107.04881	3.6
107.08564	26.6
108.08910	13.0
109.02845	3.2
109.06499	11.3
109.10139	71.8
110.06852	6.4
110.10487	46.8
111.08065	7.4
112.08403	4.2
115.07565	3.8
117.06987	4.8
119.08572	38.0
120.08137	5.2
120.08893	25.0
121.06470	3.3
121.10123	15.6
122.06802	2.9
122.10472	7.3
123.04417	4.8
123.08098	15.6
123.11734	7.5
124.08398	8.3
124.12009	10.1
125.09591	4.4
127.03911	14.6
128.04222	7.2
130.06503	26.0
131.04933	4.2
131.08562	6.0
133.06444	13.4
133.10123	29.5
134.10452	20.8
135.10670	5.0
135.11676	65.5
136.12007	63.5
137.05925	6.3
137.09587	17.9
138.09932	15.0
139.11089	4.2
145.04950	17.0
146.05235	8.1
149.13243	7.6
150.13577	10.1
151.03886	5.4
151.07521	4.7
151.11131	5.2
151.14850	6.3
152.11479	6.5
152.15109	7.5
161.05971	8.3
163.06006	3.8
163.14774	2.9
164.15135	3.4
166.13138	3.9
167.07027	15.5
170.09665	8.0
170.43712	3.2
175.07481	4.9
175.14809	24.7
176.15132	49.6
177.09085	74.0
178.16772	3.9
181.15810	7.3
182.16196	12.5
186.76996	3.4
193.08577	26.8
193.15898	32.3
194.16205	77.5
195.10092	4.1
205.08618	3.3
211.16908	55.1
212.17265	100.0
212.43279	3.0
215.11763	11.7
221.11679	8.2
226.10617	5.4
238.50200	2.9
240.12074	5.8
241.09747	3.2
254.09976	4.4
268.11557	9.2
268.49310	3.1
296.10828	4.2
313.11118	4.4
314.12079	25.4
315.09509	4.2
328.20023	5.5
345.12967	3.2
346.21158	6.3
374.14114	64.7
374.22278	9.1
375.11304	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	374.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06664	5.3
51.57632	5.4
54.90897	5.8
55.01859	14.0
55.05492	39.1
56.22961	5.6
59.04982	7.3
67.05498	78.9
69.07058	41.0
69.97201	22.4
69.97623	12.8
71.04642	7.9
71.04990	100.0
79.05495	42.8
81.07044	67.2
82.01360	5.6
83.04989	8.7
83.08604	23.7
85.06521	9.6
91.05494	28.9
93.07029	61.3
95.04932	7.0
95.08591	42.5
96.01993	5.6
97.06527	16.8
97.10160	24.8
98.20808	6.3
98.21346	12.3
105.06995	29.5
107.08591	67.8
109.06497	8.0
109.10146	43.4
111.08067	13.9
117.07035	11.5
119.08569	25.8
121.10117	26.0
123.08069	8.3
125.09634	31.4
131.08549	21.3
133.10078	31.9
135.08060	18.4
135.11700	23.6
143.42253	6.3
145.10143	15.3
147.11664	15.6
149.09621	11.1
149.13266	15.4
153.12691	6.6
155.10608	9.8
159.11662	37.5
173.11752	79.8
173.13168	12.4
177.12741	39.6
187.13292	69.5
203.12750	40.4
209.15338	15.5
227.16182	6.7
241.17969	77.4
243.14380	17.3
257.18933	18.8
275.20026	48.1
289.21533	22.7
307.22546	17.5
310.07449	6.9
333.17188	7.2
348.24054	7.8
351.20181	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	374.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01878	4.6
55.05507	31.6
57.03414	4.2
66.75829	3.4
67.05497	71.9
69.03383	4.0
69.07056	30.4
69.88784	21.9
71.04980	100.0
73.06585	3.6
73.55409	3.8
79.05485	42.1
81.03378	3.7
81.07050	61.5
83.04979	6.4
83.08608	17.3
85.06540	11.6
91.05467	25.2
93.07029	48.6
94.33979	3.2
95.04987	4.8
95.08587	34.4
97.06525	14.4
97.10152	24.5
98.21089	11.2
99.08084	5.0
101.06000	7.7
105.07011	18.8
105.66020	3.9
105.81898	3.3
107.04949	5.9
107.08582	53.9
109.06522	5.8
109.10143	45.2
111.08065	8.4
117.06998	13.1
119.08581	22.0
121.10136	17.9
125.09605	28.3
131.08557	13.8
133.10104	23.8
135.08081	6.7
135.11684	17.8
137.09621	6.5
137.35144	3.3
145.10110	12.3
147.11653	12.1
149.09602	5.3
149.13226	11.7
151.11165	3.8
153.12683	6.7
155.10658	3.3
157.10040	4.0
159.11681	31.9
161.13310	7.1
163.11139	4.7
173.11757	52.4
173.13155	7.1
177.12741	36.3
187.13271	42.2
193.12259	4.9
203.12671	20.7
205.12282	4.1
209.15387	11.6
239.18068	5.6
241.17961	76.0
257.18982	7.5
275.20035	39.2
289.21619	17.7
307.22742	10.0
321.24249	7.7
351.20233	3.7
374.32529	6.3
374.36679	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	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03940	1.2
55.01857	1.9
55.05500	0.5
56.03669	0.5
57.03410	0.5
59.15360	0.6
60.50469	0.5
65.03929	2.7
66.09975	0.5
66.14992	0.5
67.05499	2.9
69.03423	1.4
71.04981	0.8
71.63114	0.5
71.63474	0.6
72.08156	1.1
79.05491	1.5
81.03410	9.5
81.07059	1.4
83.04964	1.2
84.04520	0.6
85.02887	2.3
86.09697	2.2
91.05460	3.5
93.03463	0.5
93.07030	1.3
94.04162	1.0
95.04953	2.9
95.08584	1.1
97.02888	0.8
97.06549	0.7
103.05449	2.5
105.03385	0.9
105.07030	1.3
107.04908	1.9
107.08570	1.0
108.02088	2.2
108.08109	1.1
109.02863	1.3
109.06514	2.3
110.09694	1.0
111.04443	2.9
111.08119	0.5
114.78389	0.5
115.05436	2.9
117.06987	1.5
119.04951	0.9
119.08584	1.2
120.04472	1.3
120.08091	1.9
121.06533	0.7
121.10181	0.7
122.03658	2.8
123.04413	0.9
125.05968	1.7
125.09601	0.8
127.03873	1.0
128.06248	2.5
129.06987	7.3
131.04919	4.9
131.08524	0.5
133.10184	0.8
135.04431	0.7
136.01556	0.8
136.07568	0.8
136.95100	0.5
137.05968	51.3
138.06340	0.7
138.09106	1.9
141.05452	4.9
143.04881	3.3
144.04523	0.6
144.05801	0.5
145.02904	0.5
145.06476	1.9
147.04375	2.0
147.08069	2.5
148.03909	11.9
149.05965	2.0
150.72960	0.5
151.03896	100.0
151.04979	6.3
152.04237	1.7
153.01793	0.6
153.05437	3.6
157.06496	8.1
159.11635	0.7
160.05220	1.9
161.05995	3.0
161.09610	1.7
163.03906	1.2
163.07542	3.8
165.05473	2.2
166.05006	6.7
166.08653	2.1
167.07040	2.0
171.04391	4.0
172.03929	1.6
174.06783	1.1
175.07530	4.3
176.04709	1.2
177.05464	1.8
177.09126	1.8
178.05743	0.6
179.07059	0.7
179.10709	0.6
181.04868	0.7
183.11754	0.5
187.07503	1.8
188.04697	0.7
189.09100	9.0
190.04961	1.1
191.07011	6.5
191.08528	0.8
193.08507	2.4
195.06516	1.2
197.11594	0.8
203.07016	20.8
204.06363	3.4
205.08566	6.8
211.09669	0.6
215.07051	2.1
219.08086	1.1
219.84570	0.6
221.08075	6.5
223.07819	0.5
233.08047	4.4
234.06712	0.7
235.07373	0.7
239.11806	0.6
241.09718	1.0
243.06514	0.9
246.06697	0.7
247.07545	1.0
249.09065	0.6
255.11258	2.2
261.09076	1.1
263.07108	1.2
264.07944	0.9
266.10614	0.7
267.10318	1.0
267.71805	0.6
269.09247	3.9
271.05930	0.6
273.12320	1.1
276.08411	0.5
277.08585	1.0
279.10217	1.7
283.10892	2.7
285.07471	0.6
286.08356	1.8
286.11557	0.6
289.08633	0.9
295.09790	1.6
301.11789	12.2
306.08942	0.7
307.09595	3.4
307.12628	0.5
309.07520	0.7
309.11121	0.9
311.10138	2.2
311.13104	1.1
312.09995	0.9
313.03546	0.6
315.12842	0.7
319.12857	1.8
321.11246	3.9
327.12234	9.3
329.11154	1.9
339.12360	5.9
343.12848	2.6
345.13269	1.7
357.13626	7.9
375.11142	7.2
394.49963	0.6
397.38199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01875	0.6
55.05497	0.5
56.91566	0.5
58.40326	0.4
58.55081	0.4
67.05495	1.1
69.03413	0.6
69.07069	0.4
69.41063	0.4
69.45814	3.8
72.08118	0.5
78.04645	0.5
79.05507	2.5
81.03392	0.8
81.07027	1.1
85.02875	1.2
86.09698	0.4
91.05482	2.8
93.07035	1.4
95.04929	0.6
95.08595	1.6
97.06524	0.4
98.21507	0.8
103.05465	1.2
105.07021	8.9
107.04968	1.0
107.08576	1.9
108.05813	0.5
109.06526	0.7
109.10136	0.7
111.04433	0.6
115.05456	2.1
116.13852	0.5
117.07010	3.3
119.04942	1.6
119.08566	0.6
121.06506	1.9
121.10107	0.7
123.04409	1.5
123.08080	2.2
124.05189	0.5
128.06215	0.6
129.07014	0.5
132.05682	0.5
133.05461	0.5
133.06480	8.9
133.10095	0.9
135.08052	1.2
135.11697	0.7
137.05991	1.1
143.08545	1.0
145.06468	0.8
147.04443	0.6
147.42581	0.5
149.06012	0.6
149.07312	0.4
149.09576	0.6
151.03891	1.8
151.07541	9.7
153.05382	0.5
159.11600	0.7
160.05185	0.5
161.05969	8.3
162.06734	2.8
167.07031	14.0
171.08058	1.1
175.07539	3.1
177.09093	100.0
177.16351	2.1
178.06271	0.8
178.09448	3.6
183.83199	0.4
193.08591	42.9
194.08937	1.3
195.10144	6.9
203.07034	0.5
203.10719	1.1
205.08589	0.8
213.18454	0.9
221.11720	8.5
245.11942	0.5
299.13928	0.5
313.10654	0.8
329.13748	0.6
343.13120	0.5
359.83044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1987
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
52.78435	0.3
55.01854	0.5
55.05490	0.7
57.03414	0.3
61.76530	0.4
67.05481	1.2
69.03422	0.4
69.07051	0.6
69.84032	2.3
71.04964	0.5
77.38200	0.4
79.05476	1.3
81.03384	0.6
81.07043	1.6
83.04955	0.8
83.08605	0.6
84.08133	0.5
85.02872	1.1
91.05463	1.5
93.07028	1.3
95.04944	1.3
95.08591	1.4
97.06497	0.6
97.10168	0.4
98.20690	0.4
98.21230	0.9
103.05433	0.5
105.07046	2.3
107.04909	0.9
107.08558	1.3
109.02833	0.7
109.06516	0.7
109.10143	0.7
110.04932	0.3
111.04407	1.0
111.08020	0.4
113.65271	0.3
117.06987	0.5
119.08562	0.9
121.06483	0.5
121.10109	1.0
123.04405	0.8
123.08067	0.4
123.11722	0.4
123.12770	0.3
129.07021	0.5
131.04878	0.6
131.08533	0.5
131.68785	0.3
133.06413	0.7
133.10083	0.8
135.11717	0.5
137.05992	1.4
139.03870	0.7
145.06483	0.4
145.10121	0.4
147.11626	0.6
149.05954	0.4
151.03896	0.8
151.07529	0.7
159.11629	0.4
161.05963	1.0
163.07532	0.7
163.11208	0.4
167.07057	3.6
175.07512	1.1
177.09090	5.7
177.16298	0.5
181.05017	0.5
190.09753	0.4
191.07021	0.6
193.08627	2.8
199.08803	0.5
200.09355	0.4
203.07014	0.5
211.13185	0.5
213.10236	0.5
213.14621	2.3
221.11621	0.5
227.08205	0.7
227.11803	0.8
241.09631	0.6
241.13367	0.6
255.07578	0.7
258.13748	0.4
259.14560	1.7
269.09210	0.6
269.12817	1.9
297.12189	1.0
315.09677	1.2
315.13351	2.8
343.09042	0.4
343.12814	1.1
345.13406	0.5
345.72067	0.3
357.12949	0.5
375.19843	100.0
376.20187	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	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03941	1.0
55.01849	1.5
55.05289	0.5
55.05507	5.0
55.69640	0.4
55.69946	0.4
57.03419	1.5
57.07068	1.3
60.75273	0.4
61.02911	0.6
65.39885	0.4
67.05504	3.4
69.03433	3.0
69.07066	9.4
70.06581	0.8
70.90423	0.5
70.90776	1.3
71.04993	3.1
72.08146	0.6
79.05491	4.5
81.00893	0.4
81.03419	1.1
81.07056	11.7
81.97129	0.5
83.08610	6.1
85.02902	5.6
85.06542	2.8
86.09698	1.0
91.05471	4.1
93.07040	9.1
95.04956	1.5
95.08603	24.0
97.02853	1.5
97.06565	0.5
97.10168	4.2
99.08087	12.9
103.05444	1.2
105.07019	4.1
107.04947	1.4
107.08589	25.3
108.08961	0.7
109.02862	1.6
109.06538	1.3
109.10154	5.9
111.04417	0.7
111.08070	7.6
113.09624	1.8
117.07022	0.6
119.04945	0.6
119.08564	1.7
120.08083	1.0
121.02851	0.6
121.06537	0.5
121.10137	46.2
122.06016	0.7
122.10435	0.7
123.04391	0.5
123.08085	0.8
123.11697	1.3
125.09622	4.9
127.03891	0.9
129.07062	1.0
131.04910	1.1
131.08554	0.7
133.06544	0.7
133.10101	1.6
135.11688	9.0
137.05989	2.8
137.09639	0.5
137.13252	5.3
139.03865	1.0
139.11230	0.7
143.08484	0.8
145.04941	1.0
145.10130	1.1
147.04434	0.9
148.03897	1.0
149.05978	0.9
149.13268	3.5
151.03882	1.4
151.07547	1.1
153.05391	0.6
159.08092	0.6
159.11694	0.8
161.05957	1.6
163.07535	0.7
166.05016	1.2
167.07033	4.5
173.05893	0.6
173.13300	0.6
175.07541	1.2
177.09102	8.2
177.16376	100.0
178.16699	4.0
190.04977	2.3
191.06842	0.6
193.08578	4.0
195.17447	19.2
196.17796	0.9
196.41248	0.5
203.06981	0.7
206.85788	0.5
212.07010	0.8
213.05481	1.2
213.18483	37.8
214.18813	0.9
221.11630	0.6
223.08223	0.5
224.07022	7.8
227.08119	0.9
255.07672	1.0
255.52309	0.5
269.09027	0.7
273.14868	0.8
301.14313	1.2
313.10483	0.7
315.09546	1.6
327.12613	0.5
343.12970	0.9
357.13293	0.9
375.11078	2.7
375.18210	1.0
375.30554	0.7
376.11682	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.68469	1.2
53.03935	4.0
55.01858	4.9
55.05256	1.3
55.05509	15.0
57.03434	10.8
57.07068	3.3
59.04987	4.3
61.02914	10.5
67.05502	8.1
69.03423	32.7
69.07060	33.9
70.90611	3.4
71.04985	7.3
73.02892	5.2
77.57085	1.2
79.05476	5.2
81.03415	13.7
81.06570	1.5
81.07054	26.5
83.04974	7.6
83.08612	7.3
85.02899	72.1
85.06535	23.1
87.04452	7.2
91.03947	5.7
91.05424	1.4
93.07041	10.0
95.04906	1.4
95.08604	35.4
95.73042	1.2
96.08879	1.4
97.02882	26.6
97.06522	5.3
97.10184	10.3
98.03214	1.8
99.04451	5.9
99.08076	22.3
105.07039	2.0
107.07853	1.6
107.08583	25.5
109.02882	8.9
109.06523	1.8
109.10152	12.5
111.08087	3.9
111.11707	7.2
113.09650	8.0
115.03899	1.5
115.05459	1.1
119.08559	2.0
121.10133	31.0
121.26087	1.4
123.11713	9.7
125.09624	6.8
125.13262	1.4
127.03902	18.3
127.11217	2.2
133.10115	1.5
135.11699	16.4
137.13240	21.2
139.11160	7.6
145.04951	16.6
149.13257	6.7
151.14761	5.4
153.12740	13.7
163.06088	1.2
167.07008	2.8
177.09099	3.8
177.16371	100.0
178.16745	5.0
193.08638	1.6
195.17429	43.6
196.17781	1.7
205.08516	2.1
213.18475	63.9
214.18842	2.7
227.08167	1.3
277.08279	1.2
307.33081	1.1
321.20612	1.3
375.15463	1.4
375.23923	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	377.1451
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.32188	0.3
53.03939	1.7
53.28158	0.3
55.01844	1.1
57.03431	5.5
59.04979	0.6
61.02921	2.7
65.00865	0.3
69.03420	11.6
70.06564	0.5
71.01348	2.0
71.04979	3.4
73.02901	1.9
75.04465	1.8
78.45579	0.3
81.03406	3.5
83.77476	0.3
85.02879	0.5
87.04441	0.6
87.05544	0.9
91.05490	0.6
98.21542	0.5
99.04443	4.4
107.04906	0.4
117.05461	0.8
119.04893	0.6
123.04449	1.5
137.05963	3.9
137.09590	0.5
138.06378	0.3
139.03874	1.8
145.07568	1.3
147.04370	1.3
151.03865	0.9
157.06334	0.6
157.07622	0.3
159.09207	0.3
161.05850	0.5
165.05435	1.0
170.07083	0.8
172.08681	25.9
174.10225	0.8
177.05469	0.4
179.10612	1.0
182.95129	0.3
184.08632	0.4
190.09706	1.4
196.91002	0.3
197.11739	1.0
198.06612	4.2
200.08188	2.8
210.10403	0.3
214.09756	0.8
216.07668	14.8
218.09227	1.3
243.08748	58.3
244.07095	1.2
244.09256	0.8
291.08636	1.4
316.12924	0.4
359.07294	0.6
359.13480	2.7
377.14502	100.0
378.14905	2.5
384.96347	0.3
401.29303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	38.9
57.07072	45.5
66.23283	4.0
68.79571	4.3
69.07062	84.0
69.63779	13.4
69.64191	22.8
71.06112	22.9
71.08624	47.9
72.04507	10.6
81.07055	12.7
82.90359	4.5
83.06090	5.3
83.08614	47.1
85.10155	22.4
87.94641	5.5
95.08578	8.5
96.08144	4.3
97.10165	51.4
99.05568	100.0
105.07022	6.8
111.11698	47.3
121.90795	4.6
123.10783	5.4
125.13280	16.7
125.75468	4.4
136.12314	4.7
177.15614	4.4
247.96341	4.5
359.34085	15.7
377.19470	6.7
377.31473	6.3
377.35229	55.0
398.40466	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	378.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.1
56.96563	3.2
57.07066	4.1
61.16935	0.6
67.05485	3.3
67.58725	0.6
69.03408	1.8
69.07077	0.9
79.05467	2.4
81.03401	1.2
81.07038	3.6
83.04977	4.0
84.96030	1.1
85.02882	2.6
85.06527	2.6
91.05466	2.9
93.07041	5.4
95.04963	1.7
95.08591	8.6
97.02872	1.3
97.06502	2.3
98.97564	3.6
103.36592	0.6
105.07016	2.3
107.08580	10.1
109.06496	2.2
109.10108	3.8
111.04428	45.0
111.08064	1.5
113.05959	1.1
116.98609	2.9
119.08595	3.7
121.06505	1.5
121.10126	2.3
123.08092	1.6
125.05980	13.7
125.09634	1.0
127.07529	1.9
131.08563	1.3
133.10115	1.8
134.99641	2.0
135.08025	7.0
135.11678	12.9
137.09555	0.6
137.13246	1.6
139.07533	2.3
143.08527	0.8
145.10110	10.6
146.99677	1.0
147.11661	0.9
151.39868	0.6
152.98604	1.2
153.12717	3.5
157.10144	0.7
158.99689	0.8
159.11650	1.3
161.01192	1.1
163.11166	13.5
170.99634	2.3
173.13138	0.9
174.13548	0.8
175.14764	0.7
177.00694	1.9
181.12212	100.0
182.12627	1.5
187.14864	1.4
189.00668	0.9
191.02295	0.9
199.13268	45.3
201.00578	0.9
201.16402	1.4
206.64183	0.7
219.01773	2.4
237.02791	2.6
244.99722	1.2
279.17093	0.6
334.48203	0.6
344.17319	0.8
378.32495	1.0
398.45010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.4
56.96553	23.2
57.03422	9.7
57.07066	4.2
60.04511	3.0
61.02905	5.2
67.05489	4.7
67.09059	2.8
69.03425	24.6
69.07073	4.5
70.06597	4.2
71.04989	3.8
71.60976	3.3
72.08137	5.0
72.93787	10.5
73.02908	7.4
81.03426	9.0
83.04987	5.0
83.06120	3.4
84.96021	4.0
85.02892	46.3
85.06519	8.8
86.06056	3.2
87.04455	6.0
90.94819	9.3
91.03931	7.3
91.05471	10.4
97.02873	20.6
98.97572	54.3
99.04445	8.3
108.95813	4.5
109.02846	10.1
110.97584	5.9
112.07602	8.8
115.05039	4.5
115.08697	9.3
116.98615	49.4
119.01917	15.4
119.04947	12.7
127.03897	19.6
128.55794	2.9
128.98595	13.2
130.08633	12.3
131.01895	6.5
132.95805	32.1
134.97424	4.4
134.99641	41.3
137.05954	17.4
139.00662	3.4
139.03882	4.8
141.47018	2.9
143.00179	6.9
143.01941	5.1
144.54391	3.5
144.95807	8.9
145.01649	4.0
145.04970	10.7
146.97418	5.4
146.99652	16.5
147.04312	24.4
149.01183	5.5
150.96849	25.9
153.00714	7.1
153.13330	3.7
157.01779	3.0
157.03452	6.0
158.97371	14.3
158.99620	17.1
159.00851	3.7
161.01195	12.7
161.02901	22.4
161.04224	2.8
162.03146	5.5
162.96892	14.0
163.02711	7.2
163.03975	8.9
165.00708	4.9
170.99629	6.7
171.05063	7.6
173.02992	13.1
173.06551	4.6
174.96877	100.0
175.02809	16.1
175.04466	6.6
176.98444	13.5
177.00696	38.8
179.07014	6.5
183.04936	5.4
185.02994	4.1
185.06636	4.1
186.96890	14.2
187.04486	6.9
189.00705	10.0
189.06001	3.3
192.97952	10.1
193.03809	14.8
195.01776	5.9
198.96843	3.0
199.00475	18.0
201.00768	3.6
201.06137	7.7
203.03914	3.8
204.97899	4.6
208.04977	4.2
211.00539	7.0
212.07620	6.7
213.00621	3.4
216.97908	15.7
217.01604	3.2
217.03722	4.9
217.05545	15.4
217.11789	6.0
219.01685	29.8
221.05067	21.9
221.06953	3.4
225.05959	4.3
226.03258	3.7
233.02699	9.9
234.96632	4.4
234.98972	78.2
235.01176	5.5
237.02805	60.1
241.03711	3.5
245.05089	11.3
247.06699	8.4
253.00015	17.8
253.03864	8.4
255.03896	8.4
255.49089	3.5
258.00693	3.9
260.04425	4.2
261.02740	4.1
265.06375	6.8
273.08194	36.0
274.07037	11.9
275.09613	3.8
279.03772	7.9
280.07007	45.9
280.57196	8.8
289.07541	45.6
289.57727	11.8
291.09210	19.7
295.04865	4.9
298.07938	6.7
301.03510	17.5
303.07333	4.0
318.06763	3.3
319.04379	78.3
337.09180	24.4
379.09637	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	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.87578	0.4
68.18983	0.4
69.03417	0.7
69.07055	0.5
69.69686	2.7
70.06577	0.7
71.04968	0.5
72.08127	1.2
77.75964	0.4
78.83546	0.4
85.02893	1.0
86.09692	1.7
91.05469	1.9
97.02872	0.4
98.20739	0.7
119.04892	0.6
120.08102	0.6
125.72399	0.4
127.03889	0.4
145.02878	0.8
147.04398	0.7
149.05957	0.4
163.07518	0.5
177.05481	1.0
185.04199	2.0
217.04723	2.6
249.13426	0.5
379.09955	100.0
380.10464	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01866	2.9
55.05487	0.3
55.77686	0.2
57.00148	0.2
57.03421	1.1
60.76003	0.3
61.02927	0.2
63.51954	0.3
64.61724	0.2
65.03931	2.2
67.05505	0.3
68.99783	0.3
69.03416	1.8
71.01331	0.6
71.04983	0.6
71.61417	0.4
73.02900	0.6
78.59603	0.3
79.05479	0.3
81.03407	2.4
81.07021	0.5
83.04964	0.4
85.02406	0.5
85.02893	6.3
85.06537	0.3
86.09655	0.3
91.05466	100.0
92.05814	1.2
93.07013	0.7
95.04954	0.3
95.08590	0.5
97.02876	2.4
98.20763	0.2
98.97578	0.4
99.04443	2.8
103.03922	4.3
103.05447	0.5
103.37975	0.3
105.07016	3.2
109.02866	4.2
109.10145	0.4
111.04426	0.6
111.08023	0.3
115.05445	1.3
116.98638	0.3
117.06999	7.0
119.08564	0.5
121.06527	0.4
121.10130	0.3
127.03889	5.4
128.06212	2.8
129.05559	1.3
129.06984	7.9
131.03375	0.4
131.04930	0.4
131.08607	1.2
132.95811	0.7
133.06488	1.8
135.08127	0.3
137.05980	0.8
141.06992	0.8
143.08527	5.4
145.04961	4.3
145.06471	6.2
146.99628	0.3
147.04337	0.4
147.08005	1.6
149.05963	0.5
150.96880	0.7
152.06177	0.5
153.06941	2.2
154.47661	0.2
155.04884	2.7
155.05977	0.5
157.05263	0.3
157.06432	1.8
159.07993	0.4
159.11749	0.3
161.05959	0.4
169.01295	0.5
169.06384	0.5
171.08026	5.1
173.05959	4.8
174.96904	0.3
175.07523	2.3
181.04991	0.3
181.06464	1.0
184.06009	0.3
187.06042	0.6
187.07552	0.6
189.09105	0.5
199.07510	10.0
199.14774	0.3
216.97882	0.4
217.04739	1.8
217.08546	5.4
235.09656	1.0
257.12784	0.4
259.09631	1.1
268.08624	0.3
277.00226	0.3
277.10638	2.3
361.12854	0.6
379.09805	1.0
379.14157	0.3
380.74869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05507	1.7
56.96539	0.8
57.03434	1.2
60.47500	0.7
61.02904	2.0
65.03945	0.9
67.05495	13.7
69.03419	4.0
69.07050	1.4
70.02837	0.6
71.04998	1.1
71.61433	1.4
73.02885	1.3
79.05478	1.9
81.03413	2.0
81.07048	12.5
85.02410	1.1
85.02895	11.5
85.06512	1.4
91.03950	0.8
91.05448	2.2
93.07036	2.6
95.04952	2.5
95.08591	8.4
97.02877	4.3
97.06505	0.9
99.04430	2.1
99.08063	1.4
105.07013	1.0
107.08558	3.4
109.02847	1.5
109.06453	0.9
109.10137	52.2
116.98669	0.7
119.08569	3.3
121.10143	3.5
123.00768	6.2
123.11711	3.9
125.05965	6.9
127.03852	1.7
127.07516	1.5
133.10115	0.7
137.05959	1.9
137.09593	91.9
141.01775	2.2
141.12714	1.3
145.04945	1.8
147.11668	2.6
149.05936	0.6
150.06770	0.7
155.10645	31.9
159.34628	0.7
165.09093	46.6
165.12701	2.2
169.01292	9.6
177.05460	2.4
180.08635	1.6
183.10136	21.9
183.13689	3.1
201.11183	100.0
202.11539	0.9
210.99615	0.6
218.13809	1.2
219.10201	1.1
219.12180	6.5
227.07021	0.9
299.05350	1.8
308.26251	0.7
345.05969	1.1
380.09863	1.3
380.16144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01860	6.0
55.05506	5.3
55.96387	1.9
56.96548	4.5
57.03426	6.0
57.35443	1.7
59.04991	2.1
60.04506	4.3
61.02927	2.4
65.03928	3.2
67.05496	33.8
69.03066	2.3
69.03421	29.5
69.07057	4.3
69.33223	2.8
69.33556	22.4
70.06582	6.5
71.04987	76.0
72.08149	3.1
73.02905	2.7
76.73077	2.0
77.66309	2.2
79.05477	11.5
81.03413	7.8
81.07055	16.2
83.04972	7.2
83.08602	8.3
85.02898	43.2
86.09695	3.3
87.03973	3.6
87.04462	42.7
91.05471	72.8
93.07035	47.5
95.04964	13.1
95.08598	100.0
97.02906	10.5
97.06536	3.9
98.97611	4.2
99.04444	6.9
99.08082	2.7
105.07026	10.9
107.04995	2.3
107.08604	11.4
109.02868	8.9
109.06527	6.1
109.10139	24.7
111.04449	2.8
111.08076	9.3
113.05994	4.3
115.03909	35.2
116.98580	3.2
117.07010	3.4
119.04957	3.1
119.08570	74.9
121.10130	5.6
121.82518	1.9
123.08102	10.0
123.11671	10.3
125.09567	3.6
127.03906	42.2
127.07541	6.1
127.12424	2.0
129.06982	3.6
134.99644	2.7
137.05963	2.8
137.09598	53.3
137.13187	3.3
139.11128	2.2
141.05431	11.2
141.09134	2.1
145.04982	6.1
147.04393	2.8
147.08038	20.1
147.11702	4.0
151.07558	6.0
153.09079	2.1
153.12723	2.6
155.10646	37.5
158.99625	2.5
165.09105	32.8
165.12764	6.4
169.08589	63.9
171.10181	2.5
182.08206	2.0
183.06511	5.6
183.10159	61.9
183.13785	4.0
201.11198	81.6
218.13948	2.1
237.00681	3.4
237.02930	4.6
248.09045	2.1
254.74573	1.9
358.08124	5.8
363.03851	5.3
380.09998	4.6
380.21481	2.2
381.04880	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
54.40360	1.4
55.05492	2.4
57.03419	1.6
58.42406	1.3
61.02908	1.5
63.86013	1.4
65.45526	1.7
66.27645	1.5
67.05491	4.1
69.03407	2.7
70.06572	4.0
71.01352	4.5
71.04986	36.5
72.08150	1.5
79.05484	10.1
81.07040	11.1
82.06511	1.5
83.04979	2.0
85.02894	10.1
85.06528	2.0
86.09708	2.8
91.05469	5.8
93.07030	13.2
95.04970	3.3
95.08598	10.2
97.02885	3.0
97.06512	2.8
98.97542	2.7
99.08090	2.6
100.61862	1.5
105.07022	5.4
107.08578	9.1
109.06474	3.8
109.10140	3.6
118.06496	1.9
119.08551	5.2
121.06440	1.7
121.10114	4.1
121.10967	1.6
123.08068	4.0
123.11710	2.8
127.03847	1.6
131.08594	1.7
135.11674	3.2
136.07526	1.8
137.06003	1.7
137.09590	6.0
137.13219	2.8
138.39670	1.6
138.87756	1.6
141.09184	1.8
147.04391	3.6
147.11670	12.4
164.07008	1.7
165.09082	2.6
165.12740	82.5
166.13133	2.1
172.07576	1.9
173.07108	2.5
174.05516	2.1
176.07065	1.9
183.10327	7.7
183.13777	32.5
184.07570	1.5
187.08759	4.1
188.07072	1.8
196.06207	1.8
197.06953	1.7
199.08539	1.7
200.07077	2.2
201.06569	1.8
201.11221	8.3
205.09636	2.0
211.04578	1.4
211.08766	8.1
212.07320	1.6
215.08131	15.7
221.06973	2.2
224.05742	2.6
225.06595	4.8
229.09605	1.7
230.06689	1.6
231.11197	1.8
233.09241	4.2
239.08116	33.8
243.07639	25.2
244.08354	1.9
245.09338	4.3
248.05380	3.2
253.06079	2.0
257.09180	12.3
259.10892	2.0
261.08694	12.1
267.07608	88.0
271.07074	5.1
275.10272	2.8
285.08667	69.1
287.10324	3.3
289.08185	11.6
289.11209	2.2
295.07120	9.4
303.09659	9.6
307.09326	4.0
313.08163	56.8
321.10770	9.4
321.14536	3.8
331.09204	100.0
339.11758	14.8
349.10205	7.5
349.13947	3.9
363.11789	16.0
381.05554	3.1
381.12747	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	381.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.2
56.96559	22.6
61.02917	0.9
69.03408	1.3
70.06577	2.4
71.60518	0.9
72.08154	1.4
74.97607	1.5
79.05479	1.9
84.08121	1.1
84.96025	1.8
85.02908	4.5
86.09701	4.5
89.03899	8.7
91.05455	2.2
95.04967	0.9
97.02866	2.6
98.97565	14.6
99.04423	0.9
100.99165	0.7
107.00045	0.6
107.04939	3.9
110.97555	1.2
115.00670	2.4
116.98611	14.4
117.03367	8.6
119.00207	0.8
119.01904	6.7
119.04952	4.5
120.01930	0.7
121.01646	1.7
123.04406	0.8
127.03960	0.9
128.98586	5.8
131.00172	1.0
132.10144	1.7
133.01700	6.2
133.10565	1.1
134.99646	12.3
135.03362	1.1
135.04398	24.7
136.04700	0.9
137.02931	3.4
143.00148	0.7
145.01776	1.2
145.02808	15.8
145.04964	0.8
146.99628	8.0
147.03255	1.6
147.04376	13.9
148.04770	1.3
149.01221	1.6
150.99146	1.2
151.02748	3.5
153.00722	1.4
158.99648	3.6
159.03227	3.7
161.01263	1.8
161.02986	3.9
163.03885	100.0
164.04198	3.4
165.00723	2.9
165.04305	1.1
170.99615	2.4
173.02992	0.8
173.04846	0.9
174.99097	2.8
175.02737	2.3
175.04364	0.8
177.00797	7.2
177.02458	3.7
177.04283	13.9
177.05753	1.3
178.08316	0.8
179.02234	1.7
183.01907	0.8
185.00940	2.9
189.00690	3.0
190.95311	0.8
190.98688	1.7
191.02196	1.6
191.05882	1.1
193.00208	7.1
193.03531	1.1
195.01695	1.0
195.05388	9.9
200.02350	0.9
201.00717	2.8
201.04367	1.5
203.00278	0.9
203.01973	3.2
205.00128	1.0
205.03641	0.8
207.01741	1.1
207.03377	1.4
208.01373	0.9
211.01154	1.3
211.04588	1.0
215.05814	1.1
219.01675	9.0
219.03482	2.5
219.05077	3.7
221.02934	82.9
222.03111	5.1
223.03137	1.2
226.02420	3.1
229.00243	2.1
231.05301	1.6
235.04747	1.0
237.00479	1.2
237.02768	22.4
239.04094	23.0
240.04282	1.7
241.33249	0.8
243.01775	1.0
244.04533	5.8
245.02913	7.6
247.01270	1.8
247.04532	0.9
249.06345	1.1
250.02487	3.1
255.03877	2.2
257.03214	5.2
259.04477	1.7
260.04367	1.0
261.02435	11.4
261.06403	1.6
263.03967	24.0
264.04233	2.5
268.03543	2.3
275.00571	2.0
277.05762	1.8
279.03561	27.3
280.03741	2.2
281.05048	4.2
281.09015	1.0
286.05481	1.5
289.02350	1.4
291.03918	1.0
295.07159	1.6
297.02682	1.4
302.05054	2.9
303.00131	1.1
303.03479	0.8
307.03415	2.8
309.04822	1.2
309.08133	0.8
315.03845	0.7
321.04514	30.6
321.08551	22.2
322.04843	1.1
339.05493	3.1
339.09506	20.0
348.06564	0.8
362.07077	1.4
362.11307	2.4
381.06354	2.9
381.10699	11.5
399.05740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03570	1.6
52.27686	2.0
70.14680	3.1
70.15073	3.6
71.02193	1.6
75.51957	1.7
87.43851	1.6
102.91763	1.6
127.41718	1.4
163.90173	1.7
201.01622	3.7
219.02655	5.3
271.87805	1.7
272.86551	1.6
381.07907	100.0
382.08197	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	381.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37986	0.9
56.09937	1.1
56.96560	20.5
57.03431	1.3
57.95943	1.0
61.02924	1.3
61.86478	0.9
63.02381	0.9
69.03420	2.0
70.06586	2.3
70.24945	5.4
79.05464	1.2
84.96033	2.2
85.02876	3.8
86.09705	4.4
89.03899	9.4
91.05482	2.5
97.02868	3.3
98.97568	16.6
101.00863	1.5
105.34396	1.0
107.04958	3.2
110.97559	3.8
115.00681	2.0
116.98602	16.3
117.03388	11.9
119.01903	7.1
119.04951	5.2
120.01994	1.6
121.01656	2.4
127.03906	1.7
128.98593	6.1
131.00133	1.4
131.01920	2.2
132.10228	3.0
133.01721	6.1
134.99641	9.9
135.03345	2.2
135.04401	27.8
135.05394	2.3
137.02930	3.7
145.01707	2.3
145.02808	17.8
145.04933	1.4
146.99626	7.5
147.03313	1.6
147.04382	12.8
148.04720	1.3
151.02748	2.4
153.00772	2.0
158.01387	1.1
158.99680	4.1
159.03233	2.9
161.01277	2.0
161.02950	3.0
163.03894	100.0
164.04230	2.9
165.00732	2.7
169.00108	1.1
173.02936	1.5
174.99159	1.9
175.04515	1.2
177.00850	6.4
177.02461	3.1
177.04298	11.9
179.02252	1.7
182.34547	1.0
185.00832	1.5
189.00755	3.6
189.04294	1.5
193.00182	5.2
193.03645	1.8
195.03523	1.2
195.05396	7.9
201.04306	3.1
203.01904	4.1
207.01718	1.5
213.84297	1.1
219.01680	9.2
219.03549	2.3
219.05301	2.8
221.02940	82.6
222.03247	5.5
226.02309	1.7
233.06792	1.2
237.00494	1.9
237.02782	22.2
239.04117	26.4
240.04298	2.6
244.04546	3.8
245.02879	8.0
245.05048	1.3
247.04718	1.4
250.02466	1.4
255.03873	2.5
257.03284	4.6
259.04410	1.6
261.02502	10.8
263.04007	25.9
264.04202	2.8
268.03516	2.2
277.05655	2.3
279.03610	28.0
280.03763	1.7
281.05145	4.5
295.06616	1.8
297.02847	1.2
302.05130	2.7
307.03403	1.9
321.04523	28.5
321.08588	25.0
322.04712	2.1
339.05487	3.3
339.09470	19.4
381.06860	2.6
381.10794	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	381.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
65.17178	0.7
67.05482	1.2
69.03422	1.6
69.07035	0.9
69.65205	0.7
70.06573	1.5
70.58689	2.8
71.04951	2.6
79.05490	0.8
81.07053	1.5
85.02872	1.5
91.05442	0.9
91.45010	0.7
93.07002	1.2
95.08573	1.8
98.21043	1.4
105.06966	0.8
107.08542	1.1
121.10036	0.8
125.11492	0.8
145.10066	1.2
146.05986	1.4
147.04355	2.7
148.07483	0.8
154.05013	0.9
159.05479	0.8
164.07022	1.5
165.12680	2.6
166.04930	1.6
166.13034	3.5
168.06506	1.1
172.07527	2.1
173.07076	2.7
174.05453	3.1
183.04979	0.8
183.09087	1.2
184.07571	1.5
184.14067	1.2
187.08603	3.0
188.07024	2.5
192.06538	0.9
193.07471	1.9
196.06078	1.3
197.07024	1.0
199.04956	1.2
199.08549	1.5
200.06972	2.5
201.06523	3.3
202.04922	1.2
203.08151	1.9
205.09683	1.8
210.07600	1.0
211.08661	5.7
212.07031	1.5
214.08630	1.8
215.04274	0.9
215.06201	1.4
215.08116	17.1
216.06540	0.9
216.08488	1.0
217.09648	1.5
218.07907	0.9
219.00378	1.2
219.11313	0.9
220.05911	0.9
221.06918	1.6
222.07416	0.9
224.05727	2.6
225.06448	3.0
226.07193	1.1
227.08011	0.9
229.05984	2.1
229.09607	3.3
233.09154	5.2
234.07616	1.2
239.08134	30.0
240.08409	1.5
241.09567	1.1
243.07643	22.1
244.06010	1.5
244.08273	1.6
245.09212	4.7
247.06985	0.8
247.10704	1.0
248.05510	1.4
249.06502	1.2
253.06027	2.7
257.05219	0.8
257.09177	13.8
261.08685	9.2
267.07614	95.1
268.07794	3.3
269.09262	1.8
271.07114	6.1
272.07761	1.1
275.10071	3.3
279.09787	1.4
285.08661	72.6
286.08920	2.9
287.10144	2.8
289.05145	1.1
289.08182	13.1
289.11423	1.9
293.11136	1.2
295.07101	12.3
303.09799	9.9
303.12988	1.0
307.09067	3.5
307.12460	1.3
313.08145	54.4
314.08347	3.5
321.10617	10.0
321.14340	4.4
331.09210	100.0
332.09628	5.2
339.08234	1.3
339.11884	14.9
340.12143	0.9
349.10040	6.7
349.13901	4.4
363.11853	16.6
381.05554	1.2
381.12659	40.2
381.16431	4.3
382.12894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2246
Annotation	Lys Pro His
Peak:m/z	Relative Intensity
55.01854	0.8
55.05494	1.9
56.96549	1.4
57.03427	1.0
61.02915	0.9
67.05499	3.5
69.03413	2.0
69.07049	1.8
70.06570	0.7
71.04973	0.6
71.61049	0.8
79.05479	2.4
81.03405	1.4
81.07050	4.3
83.04953	1.3
83.08611	0.9
85.02856	1.2
91.05460	2.4
93.07040	3.6
95.04944	1.3
95.08593	3.1
97.02856	1.0
97.06524	1.1
97.10160	1.0
98.97557	1.1
105.07019	3.5
107.04929	0.7
107.08622	3.1
109.06512	1.5
109.10143	2.1
111.04450	0.7
117.06989	1.1
117.74812	0.5
119.08559	2.5
121.06459	0.9
121.10127	2.3
122.87348	0.5
123.04401	0.8
123.08064	1.4
123.11699	0.6
125.09613	0.9
129.54744	0.6
131.08545	1.9
133.10081	2.7
135.07997	1.0
135.11649	1.0
137.09589	1.8
143.08539	1.2
145.10089	2.9
147.11687	1.2
149.09566	0.8
159.08069	0.7
159.11647	2.6
161.09630	0.9
161.13153	0.7
163.07501	1.1
163.11110	0.8
171.11674	1.4
173.13239	0.9
175.07626	0.8
177.12677	0.8
185.13341	0.8
192.37988	0.6
193.04846	0.9
195.05115	0.6
197.13228	0.6
201.16353	0.9
210.10004	0.7
211.14796	0.7
267.14554	0.9
271.16885	0.7
285.10367	0.7
289.17905	1.5
291.67746	0.6
295.15091	1.7
363.21643	0.8
363.26645	0.9
377.01379	0.7
381.22443	100.0
382.22470	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	381.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
53.86699	2.0
55.01865	20.1
55.05504	81.2
56.09331	2.7
57.03431	24.6
57.07069	3.5
59.04987	5.0
65.03922	5.0
67.05494	92.3
68.05797	2.6
69.03415	5.0
69.07058	37.9
70.37401	10.1
70.85561	2.4
71.04982	41.3
73.06529	6.0
79.05479	80.1
81.03405	14.1
81.07044	77.0
83.04971	18.5
83.08128	4.4
83.08604	64.5
85.02885	6.4
85.06528	6.2
91.05466	68.4
93.07028	74.7
94.07388	2.4
94.78057	2.3
95.04953	78.6
95.08590	52.4
97.06531	17.8
97.10137	12.2
98.31702	2.2
99.08059	4.0
105.07008	51.4
107.04940	32.7
107.08578	52.1
109.06493	16.8
109.10137	29.6
111.08070	19.7
117.07008	24.0
119.08554	44.0
121.06488	22.5
121.10119	42.5
123.08075	15.0
123.11675	6.2
125.09586	17.6
129.06973	7.0
130.07814	3.4
131.08537	37.3
133.06485	2.6
133.10126	30.5
135.07994	11.0
135.11687	18.0
137.09576	8.2
139.11147	6.6
141.06943	4.2
143.08528	8.6
145.10107	45.6
147.08035	6.7
147.11664	21.2
149.09596	52.9
149.10719	3.5
149.13239	5.4
151.11169	5.7
155.08537	5.2
157.10126	4.8
157.52486	2.0
159.11658	22.7
161.09587	6.9
161.13214	7.1
163.11162	53.3
163.14833	3.8
165.09007	2.7
165.12726	12.2
169.10165	4.9
171.11639	8.9
173.09680	3.2
173.13268	10.1
175.11151	5.2
175.14810	3.4
177.12726	13.4
179.14297	7.4
183.11707	5.9
185.13147	2.8
187.11244	5.3
189.11192	9.2
189.12772	4.0
189.16350	2.8
191.10645	3.6
191.14293	3.8
197.13243	6.7
203.14293	2.6
205.12207	22.6
207.13820	7.5
215.14406	3.6
215.17941	3.8
223.13210	12.1
229.07478	2.6
229.19464	10.1
233.15240	2.6
239.15916	2.2
239.17917	13.3
247.20544	9.1
257.18961	21.7
275.20020	100.0
276.20459	2.9
279.15771	5.5
280.31006	2.4
289.21378	2.6
293.21060	9.5
307.22583	5.7
319.65503	2.5
349.23639	35.1
363.25250	3.8
381.21704	4.1
381.26367	72.2
382.26431	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	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.62286	1.4
56.96546	2.2
57.07064	1.4
58.19353	1.3
60.04507	1.3
61.02906	1.4
67.05493	2.6
68.54267	1.4
68.61742	1.4
69.03407	2.3
69.07041	3.0
70.02940	2.6
70.53297	4.2
70.53654	2.5
72.04500	5.7
73.02899	2.5
73.48497	1.2
74.02408	1.7
78.53843	1.2
83.05000	2.5
84.04522	1.3
85.02900	7.2
85.06538	4.2
88.07609	2.6
89.03929	2.3
90.05547	52.8
91.05468	2.6
95.04958	3.1
97.02881	2.3
98.02425	4.7
100.03977	1.9
100.71548	1.5
103.07576	3.3
107.04904	1.4
113.05956	1.5
116.03432	7.9
117.03356	2.2
123.04431	1.5
124.07579	8.7
135.04414	5.0
136.04820	1.4
139.03856	2.3
142.08612	5.1
145.02876	3.0
145.04953	1.7
147.04390	8.4
148.04726	2.2
159.19727	1.3
159.88455	1.4
163.03888	20.3
164.04280	3.7
174.11243	1.6
174.86652	1.3
184.09653	11.7
185.04144	2.1
185.11765	1.4
190.08595	2.0
202.10718	19.3
220.11784	100.0
221.02992	2.7
222.03099	7.6
223.02678	3.1
239.03978	2.3
240.04280	2.1
264.04233	3.2
280.03595	1.8
322.04639	3.3
323.04691	1.4
337.94711	1.4
383.09467	22.4
383.14008	2.7
384.61230	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41751	0.9
53.45665	1.0
55.01867	1.7
55.05501	4.1
56.99450	0.9
57.03431	2.3
58.63633	1.0
61.02925	1.5
67.05488	3.3
69.03419	4.2
69.07056	4.2
70.06582	2.3
71.04983	9.5
71.60865	1.6
75.04481	1.6
79.05485	4.6
81.03442	1.3
81.07036	10.1
83.04955	2.4
83.08603	2.3
85.02914	7.1
85.06590	1.5
86.09682	1.4
91.05476	4.1
93.07030	34.9
95.04964	2.8
95.08582	4.0
97.02882	1.2
97.06514	1.0
97.10108	1.3
99.08088	1.9
105.07002	4.7
107.08573	22.0
109.02818	1.0
109.06498	3.8
109.10151	3.0
110.07146	1.2
111.04405	2.5
111.08065	28.4
113.52331	1.0
116.98591	1.3
119.08525	1.4
120.07990	1.3
121.10122	49.8
123.08074	2.9
123.11696	1.7
125.05995	1.2
125.09624	2.6
127.03926	1.8
132.40189	1.0
139.03798	1.2
139.11143	12.5
140.11586	1.0
147.04506	0.9
149.09595	7.2
153.09091	6.4
155.10667	1.1
157.14255	1.1
167.10649	52.6
168.11011	1.2
171.10158	10.7
185.11703	100.0
186.12051	2.4
203.12749	7.1
217.35684	1.0
220.09631	1.7
235.06038	1.0
240.81602	1.0
301.13034	1.2
382.11621	3.8
383.12845	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36591	0.2
51.43923	0.3
53.77055	0.3
54.98624	0.3
56.96285	0.5
56.96556	7.3
58.98442	0.2
64.23963	0.3
69.71590	1.8
71.95248	1.1
91.05798	0.3
98.97567	38.6
99.97911	0.3
112.77668	0.3
113.16024	0.3
116.98604	51.9
117.98911	0.4
119.01894	0.8
134.99638	55.2
136.00073	0.3
137.02954	0.7
140.00183	1.7
153.00691	13.6
158.01242	3.3
171.01717	0.3
176.02261	0.9
177.00943	2.2
178.01030	0.5
179.00797	0.6
192.98708	1.0
216.98705	0.8
219.01981	3.2
220.02036	1.5
221.01704	0.4
234.99739	3.2
235.99959	1.6
236.99583	0.8
240.98589	4.9
241.00668	0.3
241.98810	0.4
253.01091	0.5
256.96698	1.0
258.99738	44.6
259.99872	3.1
260.99844	2.7
261.03049	5.3
262.00565	0.3
262.03055	1.5
263.02869	1.1
274.97711	1.2
275.97769	1.3
277.00787	100.0
278.00964	7.6
279.00809	3.6
279.98215	0.4
280.01062	0.5
282.01260	3.1
282.99823	2.9
284.00070	1.7
284.04767	0.3
284.99716	4.7
286.00046	0.8
290.95560	0.4
292.98532	0.6
293.98706	0.5
295.01990	1.5
298.97961	0.4
299.97751	0.7
300.02368	6.4
301.00949	7.9
302.01089	4.4
303.00836	12.1
304.00836	1.5
316.98865	1.2
317.98895	3.1
318.98651	0.8
319.02054	0.4
321.01889	0.9
323.03830	0.4
324.02353	0.4
326.02393	0.5
332.93207	0.3
337.16437	0.3
341.02252	0.5
341.98761	0.6
354.93277	0.4
356.93155	0.4
359.02585	0.9
359.95706	0.5
359.99841	2.9
360.99765	0.7
371.96130	0.5
378.00900	0.4
378.93680	0.5
379.95029	0.7
380.95386	0.4
382.95816	1.6
383.00174	1.3
389.95740	0.7
396.94479	0.4
400.97491	10.7
401.01337	5.3
401.97635	1.2
402.01926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.8
57.03426	0.7
59.12693	0.6
60.02755	0.6
65.32170	0.6
67.05500	1.4
69.03410	1.1
69.85883	3.9
70.06576	2.3
81.07050	0.9
83.04960	0.6
84.04501	1.1
84.08106	0.6
85.02893	1.8
91.05469	2.2
95.04967	1.2
97.02866	1.2
98.20901	1.3
107.04990	1.6
108.05273	1.0
109.06491	0.7
110.07152	0.8
119.04971	3.2
123.04395	1.4
127.03870	0.8
128.19847	0.7
133.10063	0.8
139.03857	0.7
145.02916	0.7
145.04805	0.8
147.04388	13.6
147.08040	1.3
148.04718	2.6
149.05930	0.7
151.07556	0.8
163.03867	1.5
165.05455	1.6
177.05412	0.8
185.15286	1.1
186.12273	0.7
190.08609	1.1
191.08943	1.6
193.08409	0.8
208.09720	0.7
211.80766	0.7
221.07962	0.8
221.12141	1.2
281.01138	0.7
344.66632	0.7
383.13086	100.0
384.13318	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
57.03427	2.3
61.02916	3.6
69.03436	10.1
70.38332	2.0
73.02921	2.0
74.02409	2.0
81.03407	5.2
82.02928	2.5
83.04939	1.5
85.02894	30.4
86.06090	1.2
91.05488	1.3
93.57243	1.1
94.06557	2.4
97.02893	8.5
99.04446	2.5
103.03929	2.0
103.21797	1.3
106.06548	2.0
108.10579	1.0
109.02873	3.3
115.05448	1.1
117.12064	1.0
118.06532	6.5
120.08083	1.4
127.03905	3.7
130.06512	71.6
132.04442	20.7
132.08086	6.7
132.99289	1.3
134.05966	1.6
142.06538	2.3
143.07300	2.5
144.06926	2.3
144.08061	28.2
145.05052	2.7
145.07571	21.5
146.06023	12.9
148.07558	4.6
154.06508	6.2
155.07184	1.5
156.06845	1.8
156.08113	4.9
157.07602	68.7
158.06004	58.0
158.08058	2.4
159.06317	1.4
159.09171	8.3
160.07570	3.3
168.08028	1.3
169.07591	7.5
170.05959	3.3
170.08347	2.7
171.06792	1.7
171.09172	8.1
172.07539	12.4
174.05464	8.9
175.08650	53.9
176.07088	3.2
181.07591	4.5
182.05997	1.8
182.08385	4.6
183.09160	14.8
184.06073	1.7
184.07549	3.2
185.07066	13.2
186.05486	4.4
186.07805	2.9
187.08612	2.1
190.08804	1.2
195.09068	1.2
196.07625	1.4
199.08658	11.3
200.07042	16.5
201.10271	1.3
202.07059	1.4
203.08138	100.0
204.06583	4.3
204.08354	1.7
209.07083	4.6
210.09196	1.7
211.08594	1.4
213.06627	1.7
215.08160	2.7
216.06732	2.1
216.08998	3.4
217.09706	28.0
221.09180	58.8
222.09521	2.7
227.08122	8.1
228.06525	3.1
231.07645	6.9
243.07710	1.8
245.09212	23.7
257.09180	1.9
263.10257	63.1
264.10538	1.7
266.08121	1.6
269.09253	1.8
274.10666	1.7
275.10156	1.7
289.06000	1.2
299.10239	7.7
311.10266	2.8
329.11188	3.4
347.12299	14.5
348.10675	12.4
365.13403	48.3
366.13885	2.1
383.09503	2.6
383.14456	44.6
384.14844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81889	1.6
55.01863	3.3
56.96564	16.2
57.03430	3.7
60.59812	1.5
61.02915	5.7
63.22074	1.6
63.35230	1.8
67.05507	1.9
69.03422	14.0
69.92784	3.1
69.93196	7.1
70.06580	3.6
72.08137	2.1
73.02911	5.4
74.02441	2.9
75.99081	1.7
81.03410	10.6
83.04983	2.2
84.04501	2.2
84.96021	2.4
85.02896	40.4
89.03919	6.5
91.05436	2.8
94.06570	3.1
97.02895	10.8
98.21504	1.9
98.97591	11.7
99.04443	3.6
103.03949	2.3
105.03415	2.4
109.02861	5.3
116.98624	10.1
117.03373	3.8
118.06519	6.1
119.01906	4.8
119.04944	5.8
127.03944	8.8
128.98599	3.1
130.06516	58.9
130.66435	2.0
132.04439	16.8
132.08110	5.5
134.05971	2.6
134.99646	8.4
135.04407	15.5
136.06177	4.5
137.05951	5.3
137.11954	1.7
139.03940	2.6
142.06572	2.1
143.00160	2.1
143.07272	1.8
144.08054	29.7
145.01784	2.5
145.02838	8.2
145.05009	4.8
145.07573	21.8
146.06032	12.1
146.99670	5.0
147.04398	16.3
148.07538	3.1
153.62614	1.8
154.06516	6.1
156.06845	1.8
156.08090	4.5
157.07599	54.9
158.06004	51.0
158.08112	3.0
158.99638	2.6
159.09157	6.7
160.07596	4.2
161.01202	3.9
161.02945	2.8
161.38953	1.9
162.99229	2.3
163.02571	3.4
163.03893	50.9
163.05202	3.1
164.04182	4.8
165.00591	2.1
169.07599	7.6
170.06027	4.6
170.08307	2.0
171.09181	8.4
172.07605	9.9
174.05518	6.3
175.08655	57.3
176.07074	2.9
176.09013	2.1
177.00755	5.4
181.07605	4.1
182.06013	2.3
182.08411	3.9
183.09163	15.9
183.10568	2.3
184.07640	2.7
185.07066	12.0
186.05447	3.4
186.07861	3.6
187.08675	2.7
188.07059	3.3
189.00685	3.0
199.08665	10.4
200.07056	17.5
203.08141	100.0
204.06534	7.4
205.01526	2.3
207.09125	2.6
209.07074	6.9
210.74388	2.0
212.07262	1.8
213.04329	2.5
215.08125	3.8
216.08907	3.6
217.09717	30.0
219.01761	5.1
221.03033	4.0
221.09184	65.1
222.03177	3.8
223.02644	17.9
227.08176	12.4
228.06546	2.4
231.07635	7.9
237.00713	3.6
237.02896	7.7
239.03987	3.2
241.03867	5.8
245.09222	24.4
263.10251	49.5
265.03848	7.3
281.03357	7.6
286.99225	2.1
299.10275	8.4
311.10236	3.0
312.08667	2.2
323.04218	4.6
329.11252	4.6
347.12363	17.4
348.10849	7.9
350.06702	2.7
365.13452	40.3
383.06577	7.8
383.09772	2.7
383.14383	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	383.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01867	4.3
55.05505	40.4
56.96558	2.5
57.03422	6.6
59.04988	1.9
59.99643	1.6
61.02919	12.1
65.03952	1.9
67.05492	17.9
69.03420	51.3
69.07063	8.3
70.06588	2.6
71.04979	5.2
71.63450	1.8
73.02905	5.7
77.33854	1.8
79.05497	11.8
81.03406	16.4
81.07052	29.0
83.04967	21.1
83.08642	2.0
85.02897	55.8
86.09685	1.8
87.04450	6.6
91.03968	4.5
91.05460	20.3
93.07034	14.7
95.04964	13.1
95.08603	11.1
97.02886	22.3
97.06512	5.6
98.97534	1.4
99.04446	4.9
99.08107	1.6
100.11226	3.8
103.05462	1.6
105.07018	20.5
107.08573	12.9
109.02847	7.9
109.06503	20.6
109.10140	6.0
111.08080	3.5
117.07016	5.1
119.04906	3.2
119.08571	52.5
121.06443	3.0
121.10136	22.7
123.08056	3.6
123.11695	1.5
125.09560	1.8
127.03899	15.0
128.06186	1.5
129.06967	2.6
131.08566	6.0
133.06531	2.0
133.10112	59.7
135.08011	2.9
135.11670	3.8
137.05975	1.8
137.09572	4.2
141.11478	1.6
143.08554	4.5
145.04939	7.0
145.10104	13.4
146.07281	1.7
147.08037	55.9
147.11676	9.0
149.02319	7.0
149.09596	1.7
151.11195	3.9
155.08597	1.8
157.10106	6.3
159.11678	8.5
161.09612	19.9
161.13242	93.7
163.11136	3.1
165.09111	21.0
170.10893	6.6
173.09521	3.1
173.13272	3.1
175.11168	4.7
175.14796	36.2
177.05542	1.7
185.13235	12.2
186.13586	2.0
187.56546	1.5
188.11922	5.5
191.14343	3.8
203.14304	100.0
204.14633	3.7
210.14975	1.4
217.08458	1.9
218.70509	1.6
221.11728	3.7
221.15337	79.0
222.15620	3.5
227.37454	1.6
231.08124	2.0
245.08084	3.4
277.08319	1.7
311.40720	1.9
323.12854	2.4
335.72675	1.6
365.23312	1.9
383.11005	3.1
383.16324	20.9
383.20779	3.4
384.16074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.7
55.05505	3.8
57.03425	2.7
57.07064	1.2
59.04997	0.6
67.05161	0.8
67.05497	10.9
69.07056	5.0
69.75991	2.5
69.76397	1.2
71.04976	1.0
79.05475	5.7
79.82576	0.5
80.08627	0.6
81.07046	28.5
82.07369	0.7
83.04974	2.8
83.08604	2.3
85.06510	0.8
85.23150	0.6
90.65546	0.5
91.05458	4.0
93.07023	5.8
94.19848	0.5
95.04954	0.9
95.08593	6.5
95.35801	0.6
97.06503	1.7
105.07011	3.9
107.08584	5.7
109.06496	10.1
109.10130	5.9
111.04429	17.0
111.05206	1.2
111.08094	1.3
114.56114	0.5
119.08566	5.3
121.06461	0.6
121.10119	4.6
123.08044	2.2
123.11707	2.4
125.05985	7.3
131.08524	3.0
133.10110	5.1
135.08043	3.0
135.11667	4.1
137.05957	100.0
137.09515	1.5
137.13199	1.4
138.06290	1.4
143.08549	2.2
145.10123	1.7
147.08040	1.3
147.11671	7.5
149.09613	3.9
149.13263	2.1
151.07542	3.5
151.11171	1.3
157.10127	2.1
159.11742	1.3
160.08801	0.6
161.09592	5.8
161.13220	2.7
163.11130	3.0
165.09085	2.2
167.10638	0.8
171.11638	1.0
173.11769	1.2
175.11128	5.1
175.14818	1.2
177.08990	0.8
177.12784	0.6
179.10674	1.9
185.13286	1.1
189.12686	0.9
189.16348	0.6
193.12225	1.4
195.11632	0.6
203.17941	5.9
205.19534	0.9
213.16365	2.7
221.18987	2.3
223.14819	0.8
231.17409	8.8
241.15883	2.2
249.18483	12.2
277.17953	70.2
278.18253	1.6
282.41867	0.6
291.19415	0.7
295.18982	31.7
296.19363	0.8
351.21570	5.7
383.19391	1.2
383.24268	19.6
384.24393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.1
54.17155	1.9
55.01876	14.9
55.05259	2.8
55.05504	41.0
56.96545	5.1
57.03224	1.8
57.03433	20.0
59.04989	2.4
61.02916	3.0
65.03931	2.3
67.05495	58.6
69.03407	7.5
69.07064	22.6
71.04974	6.3
71.61523	2.0
73.02888	2.2
79.05482	60.2
81.03417	18.5
81.07047	100.0
82.07397	4.5
83.04974	24.8
83.08620	19.2
84.08115	2.5
85.02901	11.3
85.06530	4.1
91.05455	33.2
93.07035	43.6
95.04959	23.0
95.08599	31.7
97.02869	4.5
97.06503	15.1
97.10161	30.4
99.04421	5.2
99.08067	6.8
104.57608	2.0
105.06377	2.8
105.07026	30.2
107.04949	10.7
107.08579	37.2
109.06496	12.2
109.10145	24.0
111.04418	22.0
111.08075	11.0
115.07561	3.9
117.07043	12.6
119.08561	29.9
121.06472	8.7
121.10132	20.4
123.08057	40.5
123.11670	5.4
125.06020	2.3
125.09613	34.2
129.06982	9.4
131.08578	14.8
133.06418	3.1
133.10101	17.6
135.08002	8.8
135.11653	13.9
137.09595	12.9
139.07533	2.5
139.11143	3.3
143.08540	6.5
143.10635	2.3
145.06361	2.2
145.10091	17.8
147.08043	12.7
147.11688	11.2
149.09590	7.3
153.01747	2.9
153.09042	4.7
153.12723	12.1
157.10081	9.2
159.11691	6.6
161.09590	7.5
161.13202	3.9
163.11150	20.1
165.09088	9.9
165.12682	2.3
171.10309	3.8
171.11641	5.3
173.09540	3.0
173.11800	4.2
173.13187	4.8
175.11188	7.5
177.12709	4.0
181.12227	8.9
185.13170	3.9
187.11079	3.2
189.11218	41.4
191.10556	10.3
193.12213	7.6
199.11145	3.3
203.14320	2.3
211.13324	2.9
223.13271	10.3
227.12753	19.4
227.17931	3.4
230.01965	2.2
239.17636	2.5
245.13661	2.3
245.18900	3.9
255.17516	5.9
259.08380	2.7
263.10553	3.0
273.18445	36.8
276.07596	2.3
283.15283	3.9
285.10062	3.5
291.19501	82.1
309.20459	5.3
335.64474	3.6
347.22131	4.2
365.23218	28.6
383.15170	4.6
383.24365	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59463	1.1
53.03941	5.7
55.01868	18.5
55.05507	56.1
55.05776	3.0
57.03431	21.2
59.04997	2.0
60.27668	1.1
65.03932	2.6
65.06920	1.2
67.05495	64.8
68.02462	1.3
68.05838	1.4
69.03422	7.9
69.06706	2.1
69.07060	31.8
69.07434	1.6
70.70369	4.5
71.04997	6.8
73.02908	1.4
79.05483	57.7
80.05834	1.7
81.03413	17.7
81.07048	100.0
82.07362	2.4
83.04977	25.2
83.08607	25.9
85.02895	6.2
85.06539	4.1
91.05466	29.1
93.06451	2.4
93.07034	41.4
94.07336	1.5
95.04954	23.6
95.08597	28.3
97.02902	2.2
97.06522	12.1
97.10156	46.8
99.04441	3.9
99.08064	3.6
101.06018	1.6
105.07020	23.4
107.04948	10.4
107.08582	31.8
109.06507	9.3
109.10131	22.0
109.24466	1.3
111.04424	26.2
111.08058	11.5
115.05410	1.9
117.06995	11.9
119.08559	21.4
121.06496	8.4
121.10131	18.5
123.04424	2.3
123.08055	47.3
123.11687	3.0
125.05932	3.0
125.09618	42.7
125.10536	2.9
129.05470	2.4
129.06998	7.0
131.08562	16.2
133.06461	3.4
133.10124	11.6
135.08043	10.4
135.11687	13.4
137.09618	10.3
139.07524	1.6
139.11212	2.5
143.08569	4.0
143.10664	1.7
145.06427	1.7
145.10103	15.0
146.10374	1.5
147.08006	9.4
147.11690	10.3
149.09644	7.5
149.13251	3.0
151.11162	1.7
153.09090	5.6
153.12741	9.0
155.08516	2.1
157.10135	7.6
159.11685	7.3
161.09604	6.1
161.13280	2.8
163.11165	24.7
165.09134	9.1
165.12802	2.6
169.10100	1.3
171.10149	4.4
171.11548	2.1
173.09650	2.9
173.13252	2.2
175.11105	5.8
177.12663	2.6
181.12219	15.0
185.09564	2.1
185.13226	1.8
189.11197	56.4
190.11588	1.5
191.10651	13.0
193.12236	9.5
203.10699	1.2
205.12224	2.6
209.11646	3.0
211.13177	2.3
223.13266	7.2
227.12767	18.4
227.17920	3.4
245.13576	1.4
245.18883	2.6
249.14804	2.5
255.17464	4.5
263.20007	3.5
273.18469	29.9
283.15347	2.2
291.19507	74.7
292.19916	3.5
309.20563	4.9
347.22229	4.3
365.23267	17.6
383.16010	1.8
383.24271	48.4
384.24747	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01868	17.8
55.05505	58.5
55.93534	1.9
57.03429	22.1
59.05002	1.7
67.05497	64.1
69.03419	7.9
69.07059	31.6
70.95872	2.3
71.03633	3.2
71.03970	3.9
71.04993	4.8
72.93800	2.8
79.05134	1.1
79.05484	59.1
81.03415	20.3
81.07049	100.0
83.04977	22.5
83.08614	24.8
85.02887	8.8
85.06512	3.0
90.94827	2.6
91.05468	34.0
92.05814	2.4
93.07038	40.2
95.04955	22.4
95.08597	36.7
97.06532	10.9
97.07038	1.7
97.10166	46.1
99.04433	4.3
99.08076	3.8
105.07018	24.9
107.04944	10.1
107.08585	38.0
109.06499	12.3
109.10155	22.1
111.04444	20.6
111.08080	11.8
112.08460	1.8
115.05449	2.2
117.07015	13.3
119.08564	25.7
121.06521	8.5
121.10139	18.0
123.08054	52.1
123.11697	2.9
125.06046	2.7
125.09621	52.9
129.07014	6.0
131.08539	11.6
133.10112	11.7
135.08043	9.5
135.11679	14.6
137.09605	11.4
139.11201	2.7
143.08563	5.0
143.10698	3.1
145.10089	14.3
145.92929	1.7
147.08018	7.7
147.11653	8.2
149.09599	8.0
149.13254	2.8
153.09117	7.0
153.12672	12.7
155.08543	4.2
157.10088	7.2
159.11736	4.6
161.09605	5.4
161.13254	1.8
163.11169	22.1
165.09113	9.7
165.12723	1.9
171.10245	4.1
171.11647	3.2
173.09587	4.0
173.11784	2.8
173.13226	2.4
175.11194	5.5
177.12859	1.8
181.12207	16.2
185.09489	2.1
185.13356	2.3
189.11195	62.3
191.10629	13.4
193.12213	9.8
203.17903	2.4
209.11691	3.5
211.13132	2.4
213.12773	1.7
217.19545	2.1
223.13318	4.1
227.12735	22.3
227.17853	3.6
229.05151	2.8
241.05089	1.9
245.04732	3.7
245.13934	3.0
245.19026	4.2
249.14954	2.6
255.17424	3.6
263.20016	4.6
267.06705	17.1
273.18469	32.6
285.07782	11.8
291.19534	72.0
292.20004	3.1
308.09479	2.6
309.20627	4.0
347.13052	5.4
347.22220	4.6
365.13995	4.9
365.23267	13.7
383.15268	4.6
383.24249	44.9
384.24503	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	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05516	11.7
56.27399	2.1
57.03431	3.3
57.07069	11.6
59.04990	5.8
61.59573	2.0
65.03920	4.2
67.05502	31.1
69.03423	14.3
69.07047	7.5
71.04976	5.5
71.63654	2.7
79.05489	31.0
81.07047	34.2
82.53596	2.3
83.04967	9.2
83.08597	4.9
85.06535	7.5
91.05465	45.1
93.07037	99.2
95.04956	35.0
95.08596	37.0
97.06510	14.6
103.05468	3.8
105.07023	84.3
107.08585	45.5
109.06503	27.4
109.10164	20.6
111.04419	2.2
111.08070	6.4
115.05460	2.6
116.06226	4.0
117.07002	14.8
119.08570	60.4
120.09420	2.3
121.06512	13.7
121.10135	42.8
121.80233	2.1
123.08069	30.0
123.11708	3.1
128.06192	6.5
129.06976	14.7
130.07785	4.9
131.08549	31.2
133.06454	7.2
133.10110	31.7
135.08051	25.2
135.11687	9.6
137.05948	4.3
137.09586	10.9
141.07014	3.1
142.07758	18.2
142.35471	2.2
143.08554	25.7
144.09283	6.9
145.06323	2.7
145.10104	37.1
146.07253	4.8
147.08032	28.4
147.11668	18.2
148.08730	3.7
149.09589	23.0
151.07526	43.7
153.09116	2.5
155.08542	7.5
156.09312	8.7
157.10123	36.6
159.08029	9.3
159.11694	15.0
160.08823	2.5
161.09653	23.9
161.13213	6.3
163.11150	7.3
165.09100	42.4
167.08578	3.0
168.09421	2.7
169.10100	6.7
170.10921	6.5
171.11705	7.4
173.09590	6.4
173.13272	9.0
175.11201	19.7
175.14803	8.9
177.09117	10.4
177.12721	2.7
178.09741	2.3
181.10141	4.2
182.10844	3.6
183.11664	6.8
185.09608	4.9
185.13242	17.7
187.11150	7.3
187.14877	4.3
189.12679	6.2
191.14224	3.2
193.10107	2.9
195.11705	3.6
197.13237	6.1
199.11223	5.5
201.12704	9.3
203.14317	32.3
207.11958	3.5
207.13759	14.5
209.13235	5.9
209.15327	8.3
213.12799	5.2
215.14288	6.9
219.13852	4.1
221.15346	100.0
222.15726	5.5
225.12704	3.7
227.14380	5.8
233.15337	6.0
234.16145	13.4
237.14725	3.7
243.13904	3.7
265.15799	3.3
281.19016	4.6
286.19208	5.8
287.20004	7.6
291.17252	2.8
299.20007	6.7
303.19604	10.8
309.18427	3.1
347.23480	4.4
365.24744	15.6
383.25757	91.9
384.26013	7.7
399.82373	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
54.30596	1.5
55.01847	2.3
55.05499	11.8
56.37655	1.7
57.07077	11.9
59.04996	6.2
61.58455	2.0
67.05496	27.3
69.03426	15.3
69.07049	7.7
69.92509	8.8
71.04980	4.0
79.05492	25.5
81.07047	30.6
83.04967	7.3
83.08607	3.0
85.02821	1.8
85.06532	5.3
87.13440	1.6
91.05465	44.0
92.61465	1.7
93.07035	88.8
95.04963	29.6
95.08593	38.2
95.73508	1.6
97.06538	11.5
98.20835	3.5
98.21442	3.4
100.19012	1.5
103.05454	2.3
105.07021	78.2
107.04922	4.6
107.08587	40.2
109.06499	23.2
109.10145	19.5
111.08064	11.1
115.05445	2.5
116.06252	1.7
117.06994	12.0
119.08572	58.5
120.09367	3.3
121.06486	11.5
121.10127	44.6
122.07253	1.9
123.08057	33.8
123.11680	2.9
125.05964	2.4
128.06213	9.1
129.06989	12.4
130.07759	2.3
131.08557	28.4
133.06479	8.5
133.10117	31.1
135.08031	24.3
135.11684	6.4
137.05943	2.3
137.09595	11.0
141.06978	4.7
142.07755	18.2
143.08554	21.9
144.09340	6.4
145.06496	1.7
145.10117	33.9
146.07237	2.6
147.08051	25.7
147.11673	16.2
148.08823	3.8
149.09598	27.4
151.07524	38.7
153.09102	3.4
155.08543	7.8
155.68100	1.6
156.09299	8.4
157.10114	41.0
159.08067	7.1
159.11659	14.1
160.08809	2.2
160.12393	1.8
161.09604	21.8
161.13240	9.7
163.07634	2.1
163.11163	7.9
165.09093	41.7
167.08559	4.5
168.09306	2.0
169.10057	7.6
170.10889	6.4
171.11658	10.7
173.09663	11.6
173.13248	7.3
175.07741	1.9
175.11168	21.1
175.14790	9.1
177.09058	9.5
177.12738	2.1
178.09880	3.3
179.08488	2.7
179.10597	2.1
181.10129	2.4
183.11681	5.3
185.13255	15.2
186.10388	2.8
187.11154	5.4
187.14839	4.9
189.12730	9.6
191.10529	1.9
191.14246	2.5
194.10753	2.5
195.11673	4.7
197.13284	5.1
199.11180	3.3
199.14879	4.6
201.12762	9.8
203.14299	29.0
207.11798	3.5
207.13786	12.8
209.13217	5.9
209.15363	6.1
211.11110	2.8
211.14899	2.8
213.12721	4.8
215.10558	1.8
215.14206	8.8
216.15085	3.5
219.11832	2.3
219.13861	7.1
221.15335	100.0
222.15720	3.2
225.12743	3.5
225.16406	2.9
227.14281	5.7
231.13831	4.8
233.15375	6.9
234.14040	2.7
234.16145	13.6
239.14581	1.7
239.17807	2.0
243.13840	2.4
253.87328	1.5
263.18085	2.5
265.15881	2.4
267.17249	2.9
271.16888	1.6
281.18924	4.6
283.20453	1.7
286.19266	5.2
287.20087	8.9
299.20007	7.8
300.20877	2.3
303.19498	12.4
307.20444	2.2
309.18427	2.0
326.48737	1.8
327.19275	2.6
347.23776	3.3
365.24701	16.4
383.25763	98.3
384.26117	5.9
401.65152	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03930	4.6
55.01851	3.1
55.05497	12.3
56.96547	4.8
57.07047	5.0
59.04980	4.6
65.03922	2.8
67.05498	24.5
69.03410	10.9
69.07049	6.1
71.04975	5.5
71.09200	4.0
71.09543	2.9
72.23598	1.6
79.05486	26.9
81.06581	1.7
81.07049	28.9
83.04955	5.6
83.08582	5.3
85.06526	5.3
89.82207	1.5
91.04955	3.3
91.05470	35.0
93.07032	77.5
95.04956	21.6
95.08595	38.2
97.06509	13.2
99.95550	1.6
103.05444	2.4
105.07016	75.8
107.04951	3.6
107.08585	37.4
109.06522	21.3
109.10152	16.5
111.08100	8.3
115.05443	3.0
117.07005	10.5
119.04910	1.6
119.08565	48.7
120.09338	2.6
121.06498	11.8
121.10130	38.3
123.08064	27.7
128.06210	6.9
129.06992	12.1
130.07750	4.7
130.96588	1.7
131.08565	22.5
131.11295	1.9
132.09344	2.2
133.06474	6.6
133.10115	26.6
135.08020	16.1
135.11659	5.1
137.09608	8.5
139.63559	1.5
141.06985	5.5
142.07747	19.4
143.08546	20.9
144.06812	1.7
144.09326	5.2
145.06418	2.9
145.10114	36.2
147.08038	22.3
147.11670	14.3
148.08807	2.9
149.09602	23.6
151.07524	28.5
155.08525	6.3
155.10582	2.2
156.09308	9.1
157.10112	38.6
158.10741	2.7
159.08058	5.9
159.11711	11.3
160.08806	3.0
161.09579	16.0
161.13228	6.6
163.11162	9.0
165.09097	27.5
167.08536	2.6
168.09317	2.2
169.10092	7.5
170.10852	4.0
171.11674	5.8
173.09595	9.8
173.13239	7.5
175.11159	21.4
175.14810	5.7
177.09099	9.0
181.10109	3.6
181.12260	3.3
182.10887	1.9
183.11674	5.8
185.09578	3.7
185.13269	18.3
187.11189	5.1
187.14845	4.6
189.12733	9.3
191.14313	4.1
194.10864	3.4
195.11667	4.9
197.09773	2.1
197.13289	5.8
199.11166	3.2
199.14809	3.4
201.12703	7.1
203.14310	25.8
207.11961	2.7
207.13683	9.8
209.13271	5.5
209.15254	3.8
211.11224	2.6
211.14844	3.9
213.12732	4.6
215.14290	7.4
216.15080	2.2
219.13728	5.2
221.15341	63.7
225.12778	3.2
227.14337	4.2
231.13838	3.4
233.15324	5.5
234.16154	8.7
235.16899	2.0
237.14793	2.9
243.13614	2.6
253.15910	2.2
263.17801	2.7
265.15784	2.1
281.19025	2.7
286.19238	5.1
287.19962	11.7
288.68677	1.8
299.20145	5.7
303.19559	4.7
309.18597	3.2
323.09518	2.1
327.19470	2.4
337.25311	2.1
347.23792	4.4
359.60999	3.6
360.11099	2.8
365.24850	12.4
383.25760	100.0
384.26123	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.42142	2.9
55.01852	3.9
55.05501	11.1
57.07065	7.4
59.05008	5.9
65.03938	4.0
67.05499	40.2
67.43317	2.8
69.03430	13.8
69.07066	7.8
69.28223	16.6
69.28642	15.5
71.04963	7.0
79.05479	22.9
80.90309	2.6
81.07050	33.3
81.91028	3.0
83.04956	7.0
83.08602	6.7
84.51393	3.3
85.06539	8.5
91.05462	43.1
93.07030	86.0
95.04955	24.3
95.08595	42.5
97.06530	11.6
103.05406	3.6
105.06368	6.0
105.07018	68.6
107.04906	3.5
107.08582	46.5
109.06507	27.2
109.10148	32.1
111.08065	6.5
115.05402	4.1
116.83736	2.7
117.07013	11.4
119.08559	47.3
121.06481	14.6
121.10134	47.4
123.08073	27.4
128.06267	5.8
129.06992	16.2
130.07712	3.9
131.08556	22.9
133.06464	7.4
133.10104	26.1
135.08044	23.3
135.11679	4.1
137.09622	13.2
141.06975	7.0
142.07745	15.8
143.08533	22.2
144.09306	4.8
145.06445	3.5
145.10120	35.7
147.08023	23.9
147.11670	16.9
148.08725	2.9
149.09625	18.6
151.07529	34.0
155.08524	7.3
156.09344	10.3
157.10126	35.1
159.08025	6.3
159.11737	15.0
160.08794	5.0
161.09601	25.2
161.13269	7.4
163.11159	5.8
165.09087	39.5
169.10193	4.7
170.10826	4.2
171.11607	7.2
173.09578	8.6
173.13284	7.9
175.11159	20.3
175.14771	6.2
177.09129	13.6
178.09827	4.8
179.10672	4.4
181.10086	5.0
181.12228	4.0
182.10757	3.0
183.11693	7.8
185.09673	3.7
185.13269	15.9
187.11098	4.4
187.14771	3.4
189.12755	8.2
191.14281	5.8
195.11719	5.5
197.13290	7.6
199.11142	5.7
199.14673	3.8
201.12715	7.1
203.14307	26.5
207.13811	11.2
209.13316	6.8
209.15234	5.8
211.14778	3.2
213.12740	5.2
215.14319	5.2
217.12271	3.6
219.13776	3.6
221.15329	100.0
222.15767	3.7
222.31058	2.7
223.14842	3.1
225.16446	5.7
231.13821	5.9
234.16156	8.9
243.13774	3.7
281.18893	3.9
286.19266	5.6
287.19958	9.8
299.20065	5.3
303.19534	8.9
309.18427	4.2
312.99405	3.9
365.24643	12.1
383.20245	8.5
383.25644	89.9
384.25970	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	3.3
55.05507	15.4
55.05728	2.8
57.07057	12.7
59.05001	5.5
65.03932	2.7
67.05489	35.2
69.03413	20.6
69.07047	10.3
70.16653	7.7
70.17051	4.3
71.04984	9.3
79.05487	28.8
80.73988	3.1
81.03356	3.7
81.07050	37.1
83.04948	5.8
83.08604	6.5
85.06514	5.4
91.05466	43.7
92.95919	3.1
93.07032	96.5
95.04954	29.7
95.08591	44.2
97.06528	14.4
98.20878	3.2
103.05473	4.5
105.07012	85.4
107.08582	49.3
108.08867	3.4
109.06490	28.6
109.10149	27.2
111.08067	10.2
115.05421	5.4
117.07005	11.5
119.08559	60.2
120.09369	4.3
121.06483	13.2
121.10125	54.5
123.08034	26.7
128.06157	6.3
129.06966	10.3
130.07809	6.4
131.08559	32.1
133.06468	8.1
133.10107	32.0
135.08038	23.2
135.11676	9.0
137.05952	7.1
137.09575	8.8
138.30251	3.1
141.07066	5.0
142.07787	18.4
143.08545	31.4
144.09311	5.0
145.06453	5.6
145.10097	41.3
147.08018	22.4
147.11681	21.8
149.09583	25.5
151.07530	34.6
153.06793	2.9
155.08537	9.0
155.10622	3.9
156.09322	11.0
157.10117	45.1
159.08029	5.8
159.11647	15.9
160.08794	3.8
161.09586	26.6
161.13235	10.0
163.11189	9.7
165.09090	44.7
169.10092	5.3
170.10910	8.9
171.11681	9.7
173.09587	12.5
173.13252	7.5
175.11156	23.9
175.14796	13.1
177.09065	9.0
179.08556	3.5
181.10147	3.7
181.12140	3.3
182.10852	4.4
183.11726	10.6
185.13245	14.4
187.11226	4.6
187.63622	2.9
189.12680	9.6
191.14325	3.0
193.10081	3.4
194.10780	3.3
195.11716	6.8
197.13239	7.8
199.11133	4.6
199.14818	5.9
200.11913	3.5
201.12733	8.4
203.14301	34.5
207.11803	5.5
207.13747	14.7
209.13159	7.5
209.15219	5.7
211.14853	6.6
213.12717	6.0
215.14293	10.5
216.15088	3.4
218.95753	3.0
219.13823	7.2
221.13402	4.2
221.15321	80.3
225.12643	3.6
227.14232	7.6
231.13828	5.0
233.15364	3.8
234.16136	11.6
239.17894	4.0
243.13654	3.6
264.45352	2.9
281.18884	4.3
283.50735	2.9
286.19202	3.2
287.19986	10.6
299.19928	6.5
299.81339	3.2
303.19351	9.6
347.23584	5.9
362.48233	3.3
365.24576	20.3
383.25699	100.0
383.30426	4.9
384.25977	5.0
391.10068	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01863	18.8
55.05503	70.6
56.96561	1.6
57.03435	18.3
57.07063	3.0
59.04992	2.1
65.03912	1.9
67.05496	58.4
69.03407	6.0
69.06718	2.1
69.07062	22.1
69.42357	15.8
71.04979	4.1
71.08624	22.9
76.39031	1.6
79.05052	3.4
79.05486	49.4
81.03408	17.2
81.07047	55.4
83.04969	21.4
83.08611	46.5
85.02878	4.2
85.06519	5.0
91.05470	28.2
93.07036	40.8
95.04961	32.1
95.08596	20.4
97.06506	8.3
97.10156	48.1
98.20732	2.2
99.04425	4.9
99.08084	25.7
105.07017	18.9
107.04939	10.1
107.08584	33.4
109.06506	9.5
109.10146	17.0
110.10497	2.1
111.04433	20.7
111.08077	13.8
115.05363	1.6
117.06281	1.7
117.07020	11.0
117.45770	1.6
119.08559	18.4
121.06487	8.0
121.10139	18.6
123.04442	2.0
123.08022	4.1
123.11696	5.3
125.05969	2.3
125.09608	48.5
127.11175	1.5
128.06160	2.1
129.06950	5.2
131.08545	12.2
133.10141	9.2
135.08046	10.1
135.11674	13.4
139.07539	1.7
139.11137	2.4
143.08559	3.8
143.10666	4.7
145.06419	2.0
145.10129	12.6
147.08022	4.3
147.11646	7.7
149.09576	15.1
151.11124	5.9
153.09077	12.5
153.12704	8.2
155.08452	2.3
157.10144	4.0
159.11630	7.8
161.09627	4.5
161.13228	1.8
163.11160	37.6
165.12717	4.9
167.10687	5.8
171.10191	3.3
173.09567	3.9
173.11685	1.7
173.13141	2.9
175.11122	4.4
177.12718	8.4
181.12183	7.6
187.11171	3.2
189.11195	63.7
190.11580	1.7
191.10651	5.8
191.14183	1.7
193.12219	6.5
194.42168	1.9
195.13792	9.0
205.12233	4.1
211.13332	2.9
223.13301	13.5
227.12727	22.3
228.13051	1.7
245.13792	4.3
247.20538	4.4
257.19003	5.0
265.21652	3.6
275.20050	35.3
276.20331	2.2
293.21069	100.0
294.21371	2.7
299.05362	2.9
311.22107	3.9
331.18320	1.9
349.19699	6.2
349.23682	4.1
367.24850	22.3
385.13062	2.6
385.17538	2.8
385.25912	47.6
386.21298	1.8
386.26028	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	0.9
53.03923	1.8
55.01860	1.2
55.05507	37.2
55.46657	0.8
57.03432	15.7
57.07070	34.3
59.04975	1.4
67.05498	17.8
69.07060	53.3
71.04979	2.7
71.08625	22.4
72.04507	5.6
73.06531	1.9
79.05481	7.7
81.07050	22.0
83.04976	2.1
83.08610	34.8
85.06541	1.9
85.10171	11.5
91.05474	1.5
93.07027	11.3
95.08598	21.0
97.06541	6.9
97.10162	23.4
98.20734	3.2
105.06994	1.1
107.08584	10.3
107.12002	0.8
109.10126	8.8
111.08079	5.8
111.11702	8.2
113.13321	1.2
115.07544	2.3
121.10130	11.1
123.11675	4.1
125.09657	4.7
125.13210	1.6
129.09079	1.1
135.11681	9.6
137.13245	1.8
139.11134	4.4
142.30009	0.9
143.10684	1.7
149.13277	7.6
151.14833	0.9
153.12749	4.1
157.12256	1.4
163.14822	4.1
167.14331	3.2
177.16359	2.6
181.15848	3.2
191.17999	2.5
195.17387	1.5
199.17091	1.0
205.19505	1.2
209.19136	2.2
216.80641	0.9
219.21178	1.6
223.20560	1.4
272.02234	1.0
275.27304	7.8
293.28409	10.3
339.24652	0.9
367.32034	13.3
385.33105	100.0
386.33597	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	385.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83766	1.0
53.03927	1.5
53.24634	0.9
55.01855	1.3
55.05505	34.1
57.03432	14.6
57.07072	31.1
67.05167	1.3
67.05499	13.6
69.07061	49.4
69.29279	11.1
71.04978	1.7
71.08626	20.7
73.06548	1.5
75.04465	2.4
78.83741	0.9
79.05484	7.3
81.07048	20.4
83.04977	1.9
83.08606	28.9
84.08981	0.9
85.06527	1.2
85.10168	11.1
91.05492	2.0
93.07040	10.7
95.08598	16.4
97.06518	7.0
97.10157	21.2
98.20956	4.8
101.05985	1.3
105.07019	1.5
107.08575	9.0
109.10138	12.2
111.08057	5.0
111.11700	6.2
115.07520	1.8
116.41354	0.9
121.10107	10.1
123.11709	4.1
125.09583	5.2
125.13212	1.5
129.09109	2.2
135.11678	9.4
137.13210	1.2
139.11160	4.3
143.10681	1.9
149.13223	6.0
153.12758	4.3
163.14780	3.9
167.14349	2.9
171.13795	1.0
177.16336	3.1
181.15877	3.2
185.15401	1.0
191.17915	2.6
195.17496	1.4
205.19466	1.3
209.18991	2.1
246.80884	1.0
266.28934	1.0
275.27335	4.3
293.28387	12.7
358.22797	1.0
367.32016	13.0
368.32837	1.3
385.33127	100.0
386.33380	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	386.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01863	3.1
55.05503	2.0
56.96539	1.9
57.03411	5.4
57.07053	1.7
60.74792	1.4
61.02915	7.5
62.63374	1.0
65.03941	1.6
67.05482	2.9
69.03070	1.7
69.03416	15.7
69.07046	1.7
70.88415	2.2
70.88727	1.7
71.04961	1.6
73.02904	3.1
79.05057	1.8
79.05484	24.9
81.03401	8.4
81.07037	3.5
81.07528	1.0
85.02892	83.1
85.06528	35.1
85.32571	1.2
85.67016	1.1
87.04479	2.2
91.03941	6.6
91.05446	2.9
93.07026	2.6
95.04937	3.9
95.08576	2.5
97.02879	23.2
97.06522	16.7
98.97538	2.5
99.04433	3.9
105.03373	32.1
105.07037	2.0
107.04940	1.9
107.08546	2.4
109.02872	6.2
109.06509	1.8
109.10117	1.9
110.97552	1.4
111.04445	1.7
115.03918	1.3
116.98597	2.1
119.08558	1.7
121.02839	2.5
121.06505	1.8
121.10105	2.8
122.03637	2.1
123.04411	100.0
124.04668	2.0
127.03890	21.7
129.06961	1.3
133.06438	1.0
134.99678	1.7
135.08011	1.5
137.05952	22.4
139.03877	36.9
145.04941	41.1
145.06503	2.5
145.10104	1.5
147.08028	2.0
151.03868	1.7
161.01180	1.9
161.05910	2.2
161.13211	1.5
163.03851	4.9
163.05986	11.5
163.07423	2.5
165.05478	1.7
167.06982	3.7
170.99651	2.2
173.05927	1.5
175.07547	2.7
177.00671	2.7
181.04956	6.7
186.41440	1.3
189.09084	6.0
191.06953	2.2
201.09177	1.6
201.12633	1.3
217.08658	1.8
219.01707	1.5
219.10112	19.7
223.16861	2.1
224.16219	6.1
229.10536	2.5
237.03090	1.2
256.14105	1.5
285.09485	1.8
357.13217	1.8
368.22778	7.2
369.13031	1.3
386.24445	1.8
387.10147	1.5
387.14401	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	386.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01870	1.5
55.05505	6.3
55.48177	0.7
57.03400	2.2
57.07063	9.4
59.04975	0.7
61.02898	1.7
63.34950	0.6
64.17377	0.7
67.05469	2.6
69.03420	5.1
69.07047	1.0
70.06585	1.1
70.29577	3.3
71.04980	1.1
73.02892	1.1
79.05449	2.4
81.03419	4.1
81.07043	3.4
83.04980	0.9
83.08585	3.1
85.02413	1.2
85.02892	16.9
85.29818	0.7
86.09663	0.9
87.04453	1.5
89.06017	51.3
90.06354	1.1
91.05443	3.3
93.07021	3.2
95.04923	1.3
95.08586	2.8
97.02876	6.2
97.06467	1.1
98.21391	1.1
98.97568	1.6
99.04447	1.7
101.06222	0.7
101.09646	7.9
103.05433	1.7
105.03333	1.3
105.07015	5.9
107.04927	1.7
107.07027	2.6
107.08551	2.8
107.91663	0.7
109.02824	2.4
109.06471	1.5
109.10133	2.5
111.04430	0.8
115.05429	1.4
116.98563	1.3
117.07021	0.9
118.04098	1.0
119.08559	3.7
119.10661	1.0
121.06470	1.5
121.10133	3.9
122.03605	0.9
123.04392	1.4
123.08018	4.2
124.03888	1.7
127.03884	3.8
130.08600	1.0
131.04875	2.4
131.08510	1.6
133.06453	1.8
133.07605	1.3
133.08582	16.1
133.10103	2.8
134.31505	0.8
134.99538	1.1
135.04347	1.2
135.08023	1.4
135.11642	1.1
137.05963	16.1
139.03897	8.5
139.07448	0.9
143.08568	1.3
145.04912	2.3
145.06480	1.0
145.10098	1.9
145.12219	8.8
147.04346	1.8
147.07970	1.4
147.11647	2.9
149.05922	2.6
149.09599	1.5
149.13196	0.7
151.03828	1.5
151.07516	2.6
151.09636	23.0
153.01721	1.5
161.05954	4.1
161.09586	1.2
162.06311	1.4
163.03926	5.1
163.07497	1.3
163.11139	1.4
165.09039	2.9
165.12698	1.5
167.06976	4.0
167.58102	0.7
171.11581	0.9
173.05934	1.4
173.13208	0.7
175.07477	3.0
176.07915	0.9
177.05411	2.2
179.03281	1.1
179.07040	1.0
181.04868	3.6
181.12206	4.3
187.07477	1.3
189.09045	2.9
189.12643	1.0
190.09489	1.4
203.10641	0.8
205.08546	1.1
207.13844	11.0
207.15860	100.0
208.16202	1.7
219.10031	1.8
224.12781	1.0
225.14841	4.8
237.02817	0.9
264.07651	0.9
266.06598	1.0
271.05969	16.2
281.09033	1.5
309.08521	2.8
312.12955	1.3
325.10406	1.2
334.19632	0.8
355.09253	1.8
357.13092	1.0
369.09338	1.3
369.13263	1.0
373.10226	1.0
386.12231	2.7
386.18555	2.3
386.23914	0.8
387.10019	1.5
387.14206	6.7
387.19858	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
51.41061	0.2
53.03950	0.3
55.01869	0.5
55.05491	0.7
57.03426	0.8
59.04993	0.6
65.03925	1.0
66.04718	0.4
67.05488	1.5
69.03424	2.0
69.07064	0.5
70.06615	0.3
71.04988	0.5
71.45905	0.5
72.08138	0.3
72.80151	0.3
79.05053	0.3
79.05489	1.5
81.03404	0.8
81.07041	1.7
83.04966	0.7
85.02897	3.6
86.09698	0.6
87.04439	0.3
91.05477	1.9
93.07030	1.0
94.04173	3.0
94.07302	0.3
95.04951	1.1
95.08593	2.2
97.02902	1.5
97.06544	0.5
99.07994	0.3
101.06010	0.3
103.05440	0.5
105.07028	2.2
107.04937	0.8
107.08589	3.4
109.02877	0.5
109.06511	1.8
109.10126	0.8
110.03648	0.5
111.04459	0.4
115.05454	1.5
117.07001	2.2
118.76021	0.3
119.04925	0.4
119.08573	2.8
121.06505	0.9
121.10123	1.6
122.03635	6.9
123.04414	0.9
123.08030	2.9
127.03925	0.6
128.91931	0.3
129.06998	0.3
131.04880	0.5
131.08571	0.7
133.06505	0.4
133.10107	1.6
135.04405	0.3
135.08052	0.6
135.11662	1.1
137.05960	100.0
137.09547	4.9
138.03110	0.4
138.06281	1.6
139.03900	0.4
141.09100	0.4
143.04924	2.9
143.08470	0.4
145.04904	0.4
145.06477	2.1
145.10117	0.7
147.08032	0.8
147.11664	1.9
149.09613	1.5
151.03909	2.2
151.07556	1.0
151.11194	0.5
153.09062	0.6
153.12801	0.4
155.05998	0.7
157.76895	0.3
161.05931	0.5
161.09604	0.4
161.13245	1.0
163.03899	0.6
163.11176	0.9
165.09126	0.5
165.12689	0.8
167.07031	8.5
171.06534	1.1
171.11682	0.4
173.05934	2.7
175.07559	1.1
177.09074	0.5
177.12724	0.9
179.14330	0.4
181.04927	12.0
181.06493	0.6
181.12236	0.4
189.09065	0.3
189.12715	2.3
200.08736	0.3
200.98224	0.3
203.07047	1.3
205.08560	2.0
207.13753	9.2
225.14796	3.4
233.08150	0.8
235.09596	1.9
262.31314	0.3
295.09543	0.3
339.53076	0.4
347.20651	0.3
351.12338	0.4
357.08887	0.4
357.13290	11.2
387.14374	31.2
387.19839	2.5
388.14676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03932	0.8
55.01868	1.2
55.05505	0.8
57.03421	0.6
65.03932	1.6
67.00697	0.6
67.05482	1.9
68.99767	1.2
69.03403	1.8
69.07071	1.1
70.81606	0.8
70.81953	1.8
73.78736	0.6
79.05476	2.2
81.03396	1.1
81.07049	1.8
83.04981	0.9
85.02892	1.6
91.05460	2.7
93.03366	1.0
93.07009	1.4
94.04175	2.1
95.04921	1.3
95.08569	1.2
95.23933	0.7
97.06541	4.1
98.20771	0.6
99.87526	0.7
103.05460	3.2
105.03368	1.1
105.07007	2.6
107.04942	1.9
107.08598	1.2
109.06527	1.1
111.04417	3.5
115.05432	2.9
117.07005	2.7
119.08555	2.3
121.06460	1.6
122.03647	4.8
123.04402	5.0
124.49792	0.7
125.05961	0.8
127.05426	0.9
129.07019	1.3
131.04922	3.7
131.08527	1.0
133.06487	0.9
133.10130	1.5
135.04308	0.9
135.11726	0.8
137.05965	83.2
138.06252	1.0
139.03886	100.0
140.04237	1.1
142.02599	0.7
143.04889	2.9
143.08522	0.8
145.06451	4.0
145.10115	2.2
147.04420	1.2
147.08009	1.9
149.05952	3.1
149.09535	0.7
151.03917	8.9
151.05038	0.8
153.01862	0.7
153.05460	1.1
157.06445	0.8
159.08032	0.9
159.11652	1.3
160.05170	1.7
161.05952	5.5
161.09616	1.5
163.03902	11.5
163.07549	2.2
165.05484	0.9
165.09138	0.9
167.07047	14.9
167.08395	1.2
169.10138	1.1
171.06615	0.9
171.08051	0.8
171.11691	0.7
173.05943	4.9
173.09697	1.2
175.07510	4.1
177.05449	0.8
177.09027	1.0
179.03387	2.1
181.04945	20.7
183.08098	1.1
183.11752	2.1
185.06094	0.8
187.07576	1.4
189.05515	0.9
189.09135	4.9
191.06998	9.6
191.10637	3.2
193.08635	1.1
195.11732	0.8
197.09602	1.0
201.09061	5.7
203.06969	1.2
203.10619	1.6
205.08601	2.0
207.10228	0.9
214.06241	1.3
215.10704	2.9
217.08568	2.1
219.10143	13.9
225.09088	1.7
231.10056	3.5
233.08159	1.7
235.09680	2.6
243.10124	8.1
261.11191	1.1
271.06006	11.9
295.06055	0.7
320.91797	0.7
325.10660	2.2
327.12231	1.2
351.12390	2.6
355.11874	1.3
357.13260	11.3
369.13452	2.4
385.58655	0.8
387.14465	31.2
387.26703	4.8
388.14581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03926	5.1
55.01873	3.9
55.05499	5.1
57.03418	7.3
57.07071	3.0
61.02923	9.6
67.05496	11.0
69.03423	27.8
69.07082	8.3
70.06570	5.9
70.21478	6.8
71.04974	7.3
72.08164	1.8
73.02913	4.6
79.05470	6.9
81.03410	12.0
81.07050	8.1
83.04969	5.5
84.04482	3.1
85.02417	3.6
85.02900	48.8
85.03418	3.0
85.06525	1.8
86.09705	19.4
87.04431	4.2
91.03920	3.0
91.05473	14.7
93.07031	13.4
95.04951	4.1
95.08595	69.7
97.02883	21.0
99.04435	6.5
99.08080	3.0
103.05421	1.9
105.07025	26.0
107.04920	1.9
107.08584	13.9
109.02837	4.3
109.06483	5.3
109.10136	11.2
114.71208	2.0
117.07014	3.3
119.04962	2.1
119.08562	48.9
121.06478	3.1
121.10130	26.4
123.04417	6.8
123.08038	20.2
123.11658	2.5
125.06015	2.1
127.03902	12.1
131.08545	5.1
133.06464	10.6
133.10109	29.6
135.08046	4.6
135.11682	69.0
136.12073	1.7
137.05978	10.7
137.09605	14.5
137.13232	8.4
139.03896	3.3
143.08546	2.5
145.04922	4.8
145.10094	5.3
147.04356	2.6
147.08026	9.3
147.11674	35.8
149.09610	43.3
151.07530	13.3
151.11153	3.2
156.09329	4.6
159.08058	2.9
159.11746	3.2
160.08722	2.1
161.06024	2.1
161.09605	3.8
161.13242	90.7
163.03918	3.7
163.11148	7.1
165.09085	3.5
165.12801	2.8
167.06940	1.9
171.11696	9.7
174.10379	5.7
177.05443	13.7
179.14322	11.2
181.04930	2.1
181.12230	2.9
189.12714	85.8
191.14297	2.3
205.04955	2.9
207.13783	100.0
208.14236	1.7
209.15306	2.4
225.11076	1.9
225.14919	7.8
236.09137	7.4
248.09352	2.7
359.93875	1.8
387.15948	13.8
387.20139	4.6
387.26642	2.3
388.13812	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.86631	4.8
56.89024	4.3
59.71515	5.1
64.77856	4.8
67.05486	22.1
69.03398	4.9
70.29291	9.2
70.29675	10.4
81.07057	8.6
85.02881	13.2
85.06522	11.9
91.05503	6.3
93.07034	12.0
95.08598	100.0
96.64236	4.8
100.54053	5.2
101.98675	5.1
105.06979	8.6
107.08577	11.4
113.05962	10.0
119.08592	25.3
121.10130	12.7
123.08052	44.0
133.10132	7.2
135.11653	23.6
147.11697	10.3
149.09621	36.9
151.07486	7.9
161.13254	13.7
163.11211	10.3
165.12712	6.8
189.12733	22.1
207.13803	83.5
248.83682	5.3
367.06870	4.7
387.15778	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	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05495	4.5
57.03434	5.9
59.04980	13.5
59.05261	3.8
67.05503	9.5
69.03436	9.3
69.86266	17.1
73.80760	3.9
81.07037	8.8
83.04954	3.4
83.36835	3.8
85.02914	11.2
86.09716	4.0
91.05467	10.2
93.07040	9.7
95.04935	4.7
95.08575	5.1
101.05983	5.2
105.06977	17.9
107.04977	5.4
107.08577	34.1
109.06509	15.9
109.10143	17.0
111.17190	4.3
119.08576	13.7
121.06472	5.0
121.10123	6.3
123.08067	28.5
127.96243	3.8
133.10110	7.3
135.08069	7.9
135.11697	15.9
137.09608	100.0
147.11731	10.4
149.09648	7.1
151.07526	8.1
159.02873	4.0
161.13271	13.3
163.11121	5.7
167.07072	4.7
171.11613	6.2
177.05482	4.6
189.12755	15.3
207.13800	32.0
225.14833	8.8
238.80276	3.6
371.02808	3.6
377.67441	4.2
387.15756	4.7
387.19971	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	387.2007
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
54.38931	3.4
55.05501	6.8
58.20042	3.6
61.02917	5.9
67.05490	11.0
69.03417	49.3
69.07066	6.4
69.73418	2.9
70.96758	7.7
71.04993	4.6
79.05475	11.4
81.03380	5.0
81.07055	19.9
85.02889	16.8
87.49495	2.8
91.05454	12.8
91.67137	2.8
93.07037	11.0
95.04948	7.6
95.08582	10.7
97.02860	5.4
97.06496	3.2
99.04455	8.2
105.07027	27.5
107.08562	9.0
109.06513	15.9
109.10142	7.3
111.08073	4.8
116.75996	3.0
117.07042	3.6
119.08572	14.7
121.06474	6.0
121.10135	17.0
123.04395	12.8
123.08033	10.5
124.40430	3.0
127.03921	4.8
131.08563	4.6
133.06465	7.8
133.10124	31.4
135.08096	4.0
137.05975	82.1
137.09612	26.1
138.06396	3.3
139.11166	24.9
145.06401	5.4
145.10124	7.7
147.08081	4.2
147.10672	3.7
147.11667	26.0
149.09529	3.4
151.03929	4.0
151.07538	8.1
156.09248	4.9
161.13242	8.7
163.03979	5.3
163.11160	8.8
167.07045	8.7
171.11652	9.5
171.39088	3.2
172.61214	3.4
174.10374	6.2
181.04955	12.9
188.38895	3.5
189.12723	31.2
196.53847	3.4
207.13780	100.0
225.14857	64.7
357.13333	9.3
387.14368	22.9
387.19873	11.9
388.14844	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05498	1.7
56.96552	1.1
57.03413	2.4
57.07055	1.0
61.02909	1.6
61.86421	0.9
62.64822	0.9
65.03935	1.2
67.05481	2.4
69.03423	40.6
69.07048	3.5
70.03745	1.2
71.04993	0.9
71.10065	2.1
73.02908	0.8
79.05465	2.3
81.03389	1.5
81.07030	5.5
83.04967	3.5
84.75757	0.9
85.02893	8.3
85.06525	2.3
86.09690	1.7
91.05466	12.1
91.98019	0.9
93.07042	2.0
95.04950	2.1
95.08598	8.0
97.02864	2.9
97.06502	3.7
103.05418	1.1
105.07007	3.8
107.04922	1.9
107.08581	10.3
109.06480	4.7
109.10155	2.5
111.04398	0.9
111.08064	2.7
117.06969	1.1
119.08552	3.3
121.06471	2.1
121.10134	9.1
123.04440	1.3
123.08045	2.4
123.11703	5.5
125.09613	18.6
126.09982	1.0
127.03862	1.1
129.06979	1.3
130.43860	0.9
131.04933	2.5
131.08539	4.9
133.10132	4.5
134.10455	1.5
135.08026	10.0
135.11679	4.1
136.08464	0.8
137.05981	4.4
138.06305	1.9
139.03888	10.1
140.04227	3.4
145.04915	1.2
145.10115	3.4
147.11658	1.9
149.09641	5.2
149.13235	2.9
151.07532	1.0
151.11143	1.9
153.09117	5.8
158.10872	3.3
161.05986	1.6
163.03880	2.6
163.07570	1.1
163.11151	3.8
163.14775	3.3
164.04257	1.2
165.12717	3.5
167.07019	2.7
171.11679	0.8
173.13260	15.7
174.13612	0.9
175.07567	4.2
175.81305	0.9
176.07904	1.2
176.11856	0.9
177.05438	1.6
181.04968	3.1
189.09035	1.5
191.14294	68.1
192.14645	2.0
201.08997	1.2
204.17586	0.9
207.13789	3.3
208.14070	6.5
209.15346	100.0
210.15680	2.9
219.10144	4.1
220.10533	2.0
251.25433	0.8
339.12387	1.1
359.14584	1.2
367.04218	1.0
388.14658	2.3
388.20081	1.2
389.16144	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67208	1.1
53.03932	1.3
55.01860	6.1
55.05499	6.2
57.03408	1.3
57.07052	2.2
59.05000	1.4
61.02911	1.7
65.03938	2.9
67.05491	4.1
69.03406	3.6
69.06708	2.0
69.07057	23.2
70.06573	2.8
70.95947	3.2
71.04967	6.6
72.74290	1.1
73.02883	1.1
79.05480	8.5
80.05817	1.3
81.03391	4.0
81.07034	6.5
83.04957	3.4
83.08609	6.0
85.02889	8.8
85.06542	7.8
91.05474	13.4
93.07039	40.9
93.07618	2.9
94.07323	1.2
95.04084	1.2
95.04957	3.5
95.08602	8.0
97.02887	3.9
97.06518	15.4
98.06853	3.8
99.04440	4.1
103.05454	2.7
105.07009	24.3
107.04962	1.6
107.08580	62.1
108.08865	1.1
109.02847	1.1
109.06503	2.8
109.10136	6.2
109.19733	1.2
111.04387	1.9
117.06992	3.5
119.08572	19.7
120.04427	1.2
121.06481	1.6
121.10129	62.3
122.10431	1.6
123.04456	6.6
123.08083	2.8
123.11684	3.6
124.04747	1.7
127.03905	3.2
129.06984	1.9
131.04927	2.2
131.08546	21.5
133.10114	92.1
134.10471	2.2
135.08063	8.1
135.11700	9.0
137.05962	11.5
137.09608	2.1
138.06281	4.4
139.03891	22.6
140.04211	10.4
143.08444	2.7
143.21706	1.1
145.04907	2.8
145.10094	6.6
147.11653	1.6
149.05940	1.3
149.09615	2.7
149.13257	4.6
151.03896	1.6
151.07597	1.1
153.01772	1.2
157.06523	1.4
157.10086	1.8
158.10892	5.4
161.05966	1.7
163.03885	3.0
163.11148	1.4
163.14787	27.1
167.07042	4.1
173.13248	54.7
174.13606	1.5
175.07578	5.5
177.05444	3.8
181.04932	12.0
182.05219	1.5
183.06447	1.2
187.14822	1.3
189.09087	3.5
191.07033	1.2
191.14281	100.0
192.14587	3.5
195.10101	1.2
201.08997	2.2
202.09384	2.6
208.16913	3.0
209.08025	5.1
209.15334	4.7
215.09084	8.6
217.08502	2.5
219.10193	8.2
220.10510	6.5
226.18024	17.6
227.18250	1.3
233.10127	4.4
237.11203	1.3
259.10846	1.2
277.08591	1.7
319.11304	1.8
339.12399	2.0
353.19525	4.3
371.14780	3.3
388.10611	1.5
388.15012	2.7
388.23245	3.4
389.16013	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01642	0.7
55.01868	5.7
55.05498	3.1
56.96566	1.1
57.03421	1.1
57.07074	0.7
59.04990	1.2
65.03922	1.2
67.05493	4.5
68.99753	0.9
69.03418	2.5
69.07063	11.5
70.06551	0.8
70.38203	0.7
71.04981	6.4
71.63905	1.1
77.03925	1.0
79.05496	7.5
81.03402	2.3
81.07053	18.2
83.04926	1.1
83.08617	1.7
85.02901	4.7
85.06533	3.1
91.05469	10.3
93.03394	0.8
93.07040	14.1
94.07353	0.9
94.91975	0.8
95.04950	5.6
95.08592	10.9
97.02876	1.2
97.06526	17.5
98.06866	4.4
98.97583	1.0
99.04420	1.6
103.05431	1.2
105.07018	11.6
107.04955	2.2
107.08586	27.4
109.02875	2.7
109.06496	8.6
109.10140	2.7
111.04416	2.7
111.08065	2.9
115.05435	1.8
116.98625	0.8
117.06990	1.4
119.04913	5.0
119.08566	9.7
121.06486	3.3
121.10136	20.6
122.10494	1.0
123.04418	63.6
123.08062	2.2
123.11732	1.0
124.04751	2.7
125.06001	1.5
127.03906	2.4
129.06978	2.0
131.04893	1.5
131.08539	7.2
133.06476	1.3
133.10121	46.8
134.10434	1.7
135.04402	2.4
135.08044	6.6
135.11688	5.4
137.02328	1.4
137.05969	9.7
138.06302	2.2
139.03888	37.2
140.04225	9.0
143.04912	1.4
143.08530	1.4
145.06441	1.4
145.10106	3.3
147.04385	20.7
147.11682	13.3
149.05949	2.0
149.09583	2.0
149.13258	9.4
151.03882	29.5
151.07458	1.6
153.05473	1.4
157.06476	1.2
158.10905	2.3
160.05122	0.9
161.05963	8.0
162.06328	0.8
163.03900	5.2
163.07562	1.2
163.14809	83.9
164.04230	1.3
164.15154	2.5
165.05475	14.0
167.07053	4.7
168.07417	0.8
169.04955	2.9
173.05977	12.9
173.13254	17.1
175.03886	1.7
175.07529	3.4
176.04665	1.6
177.05457	11.6
179.07004	2.6
181.04930	7.9
181.08607	2.7
183.06583	1.0
185.05949	0.9
189.05437	3.1
189.09077	1.9
191.07108	3.7
191.14291	100.0
192.14615	4.6
193.04959	1.5
193.08585	31.3
193.84839	0.8
195.10103	0.8
201.09044	0.9
205.08533	1.9
207.06502	9.3
209.07983	3.6
209.15315	1.3
217.08563	2.0
219.10136	19.6
220.10486	9.6
227.16318	0.9
231.10199	0.8
237.11179	6.2
249.07373	1.1
249.11284	2.1
273.07806	1.2
277.08447	0.9
285.07559	2.6
291.08569	4.1
303.08563	3.7
309.11246	1.0
311.08981	1.6
319.10907	1.1
320.66519	0.8
327.08670	1.5
327.12219	4.8
329.10202	9.9
339.12088	2.0
343.11417	0.8
345.13300	17.8
345.17490	1.1
353.13669	3.5
358.13593	1.4
359.14709	2.6
370.13824	1.1
371.14832	15.2
388.14636	2.7
389.16016	18.4
389.27490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
55.05496	0.5
55.77035	0.3
57.03407	0.2
65.03934	2.4
67.05484	0.2
69.03419	0.8
70.06589	0.6
71.04980	0.3
71.61240	0.4
72.08147	0.5
73.02923	0.4
79.05481	0.8
81.03401	0.5
81.07050	0.9
81.50403	0.2
83.04981	0.4
83.08638	0.3
84.04518	0.4
84.08096	0.4
85.02885	2.1
86.09704	0.8
91.05473	100.0
92.05785	1.3
93.03387	0.6
93.07052	0.4
95.04948	0.9
95.08590	0.4
97.02897	1.0
97.06538	0.6
99.04439	0.3
99.08109	0.5
101.79824	0.2
103.05456	0.3
105.03378	0.3
105.07012	1.1
107.04956	0.5
107.08568	0.7
109.06512	0.6
109.10158	0.5
116.01647	0.4
119.04924	0.2
119.08575	0.3
121.10159	0.5
123.08151	0.3
124.27932	0.2
125.09629	0.7
127.03924	0.7
129.06973	0.4
131.04900	0.5
133.10130	0.6
137.05988	0.6
144.01173	0.3
145.02782	0.3
145.05003	0.3
147.04410	0.8
149.02335	0.9
149.05946	0.3
149.09634	0.5
153.09091	0.5
153.12779	0.6
155.07030	0.8
157.06584	0.4
161.02353	0.6
161.05968	0.3
162.02222	0.5
163.03917	0.7
165.06937	0.3
165.12738	0.3
167.02020	0.2
167.03392	4.9
167.14394	0.3
175.03931	0.6
177.05565	0.4
179.03374	0.9
179.08527	0.3
181.04913	0.5
189.05481	0.6
191.03429	1.0
191.14308	0.6
194.72946	0.2
197.04410	0.4
203.03464	1.2
209.15320	1.9
211.11766	0.3
215.03389	0.7
217.04782	0.5
221.04483	0.7
227.07053	0.9
227.09142	0.8
227.12582	0.5
227.16467	1.6
233.04427	2.1
239.07066	2.4
245.04393	1.9
251.07076	0.9
257.08035	4.0
263.05576	0.9
265.08798	0.4
269.08209	0.9
281.06461	0.7
289.08594	0.4
291.06430	0.4
293.08105	4.5
299.07590	0.4
305.08185	0.7
307.09644	0.3
311.09198	4.3
317.08121	0.5
323.09094	7.7
335.09045	4.3
341.10294	0.9
353.10202	8.6
371.11261	2.5
389.07025	0.5
389.12732	2.4
389.17807	12.2
390.37646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01613	2.0
55.01869	26.5
57.03434	2.1
61.06234	1.6
65.03928	5.7
67.05492	3.7
68.11672	1.2
69.03422	3.5
69.70452	9.6
79.05500	6.6
81.03445	1.7
81.07056	1.9
82.04193	2.3
85.02908	7.8
88.73433	1.2
88.74032	1.3
91.05484	5.8
93.03379	1.3
93.07045	2.8
93.59213	1.3
95.04964	5.7
97.06522	2.9
103.05450	9.4
105.07028	2.8
107.04940	12.2
110.03643	3.2
111.04462	3.0
117.07023	2.7
119.04939	1.5
119.08591	2.3
120.85651	1.4
121.06515	4.2
121.10136	1.7
122.03633	3.8
123.04437	8.3
124.05228	2.1
125.05991	3.5
128.06226	2.0
129.06993	8.8
131.04912	15.2
131.08559	5.8
133.06512	1.8
137.05965	32.7
137.06911	1.2
138.03087	1.7
140.04657	2.3
141.06964	2.5
144.05698	1.8
145.06467	3.2
147.04445	1.5
149.05984	5.9
151.03900	2.4
151.07547	5.2
153.05470	3.7
155.07040	1.5
157.06473	9.0
158.07298	1.9
159.08040	4.1
161.05997	2.2
163.07562	5.8
163.81505	1.2
167.07042	19.5
167.08447	2.3
169.06384	1.3
171.06487	7.9
174.06747	11.1
175.07529	24.1
177.05463	20.3
179.07062	2.3
181.04942	54.0
181.06488	3.0
183.06512	13.8
186.06728	2.9
187.07523	5.1
187.14743	1.3
188.08174	1.5
189.07216	2.1
189.09068	26.2
189.10654	2.1
191.08530	1.4
191.14290	1.9
195.10242	2.3
196.47523	1.4
198.07883	2.1
199.08661	16.6
201.09050	9.5
203.08606	2.3
205.06636	1.5
205.08464	2.6
206.07271	3.2
207.06480	2.4
209.06056	1.6
209.08080	30.1
209.10333	2.2
209.10847	2.3
210.09000	2.4
211.08542	1.4
212.09450	4.8
213.06581	5.2
213.10202	14.2
214.07481	2.0
215.08409	1.7
217.06474	3.8
217.08633	3.7
218.07295	7.5
218.92845	1.3
219.08022	5.7
219.10115	47.6
220.08847	1.6
221.08020	2.7
226.07242	2.3
227.08188	17.0
227.11729	9.7
227.16330	2.2
228.08949	4.5
229.09708	4.3
231.08044	2.1
232.08862	2.1
233.05975	1.5
233.09619	4.3
234.06747	8.4
235.07515	4.7
235.09686	4.0
237.10262	2.5
240.08966	5.1
241.06058	6.9
241.09703	36.7
241.12094	2.6
242.10121	3.2
243.11272	1.8
245.12827	10.0
246.06686	3.5
247.07666	4.1
248.08255	2.9
249.09064	10.8
249.11313	1.9
250.09810	2.0
251.10799	2.3
253.09380	1.5
255.07664	3.6
255.11292	39.8
256.11478	1.7
257.09137	5.3
259.07486	1.3
259.10861	2.7
260.08194	1.8
261.09012	12.5
262.06177	1.9
262.09906	3.1
263.07074	1.9
263.10822	1.6
265.09360	3.0
266.09305	2.3
267.11224	1.7
268.08374	1.8
269.09174	13.2
270.09879	3.2
273.12341	4.6
275.06812	1.3
276.07861	1.4
277.08600	32.0
278.09406	7.0
279.07159	1.4
279.09998	6.3
281.11624	2.8
283.07471	2.2
283.10742	45.5
284.11145	2.5
289.08603	4.2
291.10153	5.1
293.08380	3.0
293.11725	5.7
294.08850	2.2
295.10864	7.3
300.10620	1.5
301.08289	2.9
301.11816	4.7
306.08841	3.9
307.09479	3.5
308.10336	2.2
309.11194	11.2
310.11954	1.3
311.10117	28.3
312.10498	1.8
313.11636	8.7
321.11240	7.1
325.10699	2.3
327.12244	3.0
329.11270	100.0
330.11523	5.1
339.12427	39.7
340.12851	1.8
341.13864	3.2
353.13751	2.9
357.10715	60.0
358.11105	4.1
359.14798	8.5
371.14960	44.6
372.15350	2.9
389.13165	17.9
389.15964	23.6
389.27838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03923	3.7
55.01866	35.7
55.05516	4.6
57.53909	1.7
61.80392	1.6
65.03931	10.1
66.15527	1.7
67.05489	6.8
69.03397	7.2
69.07061	3.5
69.49173	16.7
79.05475	10.2
81.03394	3.7
81.07048	5.6
82.04168	3.3
83.08612	4.6
85.02904	13.5
91.05472	80.9
92.05795	2.2
93.03406	4.0
94.04163	2.9
95.04950	10.0
95.08591	4.1
97.06529	3.8
99.04433	2.1
103.03949	2.6
103.05464	13.3
105.07053	4.2
107.04952	15.1
107.08579	3.5
109.06500	5.2
110.03656	4.5
111.04421	5.1
111.08064	3.4
115.05502	2.6
117.06985	4.9
119.08562	5.3
121.06515	5.1
122.03609	4.3
123.04433	9.5
124.05275	2.9
125.05993	6.6
127.03855	1.8
128.06242	5.4
129.07010	17.8
131.04932	25.8
131.08618	9.1
132.05626	2.2
133.06499	2.4
135.08035	3.3
137.05960	57.2
138.03134	3.1
138.06364	2.0
139.03885	4.3
139.07518	3.1
140.04677	2.7
141.06996	7.1
142.02553	2.9
143.04988	1.9
145.06480	6.3
145.10110	1.9
147.04353	3.0
149.05969	12.9
149.09583	2.8
151.07503	3.9
153.05472	6.7
157.06451	16.1
158.07294	4.6
159.04427	3.9
159.08066	6.1
160.05161	4.5
161.05962	3.5
163.03931	2.0
163.07535	11.8
165.05554	3.8
167.03423	4.6
167.07014	33.6
169.06467	3.3
171.06509	10.9
173.13153	2.3
174.06726	16.2
175.07536	27.8
176.08018	2.3
177.05450	29.5
177.08902	2.0
179.03395	2.4
179.20566	2.0
181.04941	100.0
182.05339	2.2
183.06531	13.0
186.06783	3.8
187.05977	2.4
187.07558	8.2
188.08360	3.6
189.07224	2.9
189.09052	42.2
191.07022	3.1
191.08575	3.4
191.14371	3.7
195.10185	3.9
199.07448	2.4
201.09087	11.6
205.06493	2.2
205.08591	2.5
206.07462	3.1
207.06456	5.0
209.08076	60.9
209.11613	4.4
209.15431	4.2
210.08464	2.8
210.15752	4.4
217.06554	4.6
217.08618	9.8
218.07263	10.7
219.08067	10.1
219.10098	67.0
219.12231	3.6
220.08646	2.2
221.09723	3.9
227.16388	2.5
231.08035	4.2
232.08961	2.1
233.09520	5.8
234.06721	8.7
235.07480	5.5
235.09555	3.6
237.09193	2.2
239.06911	2.3
246.06725	4.9
247.07538	6.2
248.08324	4.8
249.09111	17.0
250.09680	3.6
251.07080	3.5
251.10713	2.9
257.08182	3.3
261.09076	20.7
262.06293	4.8
262.09811	2.7
263.07074	3.6
265.08560	4.3
266.09283	3.2
269.13815	5.7
271.06006	2.8
273.06494	9.9
275.06735	2.0
276.07629	3.1
277.08569	39.4
278.09250	9.0
279.10260	5.8
281.11676	4.6
290.09253	4.7
291.10156	5.2
293.08081	8.1
293.11713	7.8
294.08774	4.1
295.09641	2.3
306.08786	2.7
307.09671	4.4
308.10336	4.0
309.11176	17.3
311.09149	4.2
311.12741	5.5
321.11304	9.5
323.09177	6.7
329.14035	3.3
335.09250	2.8
339.12231	52.7
340.12985	2.2
341.13876	2.1
353.10013	3.7
353.13873	4.1
359.14819	6.1
371.10419	3.9
371.14883	60.7
372.15262	4.5
389.15933	67.9
390.16174	2.5
405.71085	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Renealtin B
Peak:m/z	Relative Intensity
50.87045	0.7
53.03935	0.8
53.82225	0.6
55.01863	6.8
55.05499	1.6
57.03430	1.5
62.00110	0.6
65.03942	1.8
67.05493	3.8
68.99782	1.2
69.03419	1.6
69.07044	2.2
71.04980	0.9
71.15198	0.8
71.15515	0.8
77.03897	0.9
79.05471	2.2
81.03395	2.2
81.07035	1.9
85.02879	2.3
89.03840	0.7
91.05479	4.1
93.07016	1.8
95.04955	4.8
95.08587	2.6
97.02857	1.1
97.06527	4.9
103.05454	3.3
103.85666	0.7
105.06979	1.6
107.04944	2.6
107.08543	1.5
109.02840	4.1
111.04389	1.3
115.05393	1.1
116.94938	0.8
119.04918	8.1
119.08589	1.0
121.06504	2.4
121.10116	1.7
122.03606	0.8
123.04414	100.0
124.04763	2.6
125.05974	0.9
127.03901	3.0
129.06955	1.7
131.04916	4.4
131.08510	0.8
133.06482	2.0
133.10075	0.8
134.10509	0.9
135.04425	1.9
137.02336	1.3
137.05951	7.3
138.02975	0.7
139.03885	32.7
140.04343	1.0
143.04918	2.9
143.08485	0.7
145.06497	1.1
147.03212	1.7
147.04391	32.8
147.11656	0.8
148.04765	0.9
149.05928	3.8
149.09602	0.9
151.03883	42.7
151.07506	1.8
152.04236	1.1
153.05391	1.1
157.06532	1.2
159.04453	1.3
161.05978	12.0
163.03874	6.6
163.07526	3.4
164.64583	0.6
165.05469	22.0
165.06859	1.2
166.05759	0.9
167.07053	6.6
169.04932	4.2
171.06580	1.3
173.05952	18.4
174.06543	1.0
175.07567	3.1
176.04604	3.7
177.05446	18.2
177.09027	1.4
179.07008	4.5
181.04948	15.8
181.08592	4.3
183.10144	1.1
187.07588	1.3
189.05499	4.0
189.09088	2.1
191.07007	5.7
191.10728	0.9
191.14284	1.4
192.14709	1.6
193.04980	2.2
193.08586	55.2
194.08949	2.5
201.08995	0.8
203.06969	1.6
203.10707	0.9
205.08482	4.5
207.06497	13.5
207.10233	0.9
209.08054	7.4
217.08557	1.5
219.08060	1.7
219.10130	23.8
219.12231	1.3
220.10378	0.9
221.11484	0.8
223.09634	1.9
231.10109	1.8
237.11182	8.7
243.06400	0.8
249.07545	1.1
249.11253	3.2
255.06461	0.8
273.07541	1.4
285.07367	3.8
291.08578	7.8
303.08585	7.3
309.11279	0.8
311.09180	3.5
311.12592	0.7
325.14453	1.0
327.12244	4.6
329.10172	16.7
329.13828	1.4
330.10568	0.8
339.12366	2.3
345.13309	29.2
346.13577	2.5
353.13809	5.9
371.14880	23.1
372.15332	1.9
389.15970	36.3
389.27823	1.1
390.16351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05890	1.3
53.03945	2.1
53.62066	1.2
53.74718	1.3
55.05512	5.4
56.96568	2.2
57.03437	3.9
57.07070	1.4
57.70037	1.2
59.05016	2.1
61.02926	3.0
65.03954	3.5
67.05502	4.9
69.03429	6.2
69.07064	8.3
70.06593	3.5
71.05000	4.6
71.63240	1.2
72.08152	4.4
79.05493	6.4
81.03433	1.4
81.07070	8.8
82.07421	1.4
83.04962	2.9
83.08637	4.2
84.04490	2.0
84.08132	2.0
85.02901	16.4
85.06554	3.7
86.09721	7.2
91.05473	100.0
91.76630	1.4
92.05842	3.4
93.07037	19.6
94.07410	1.4
95.04961	35.8
95.05539	2.3
95.08599	9.0
97.02905	5.9
97.06527	18.5
99.04440	11.6
99.08123	5.3
103.05484	2.0
105.07008	12.5
105.48771	1.2
107.04996	4.6
107.08594	20.2
107.09271	1.7
109.02903	1.9
109.06516	20.7
109.10117	8.0
111.08114	3.7
113.05978	1.5
115.07567	15.7
116.98643	1.9
119.08568	9.8
120.08087	1.6
120.08971	1.7
121.06535	2.3
121.10137	40.5
122.10529	1.9
123.04458	2.3
123.08100	4.7
123.11724	3.1
125.09676	3.6
127.03986	3.7
127.07582	2.0
129.07043	1.8
131.04938	1.3
131.08553	6.5
133.06503	2.5
133.10114	26.4
133.11028	1.9
134.10469	2.4
135.04443	3.7
135.08038	7.3
135.11726	3.9
136.03088	1.3
137.05998	2.4
137.09621	2.2
139.11166	2.4
145.04984	2.5
145.10173	4.5
147.04463	2.0
147.08078	4.7
147.11667	15.2
149.02408	1.9
149.09595	2.7
149.13295	3.5
151.11247	4.5
153.09106	19.0
158.10995	2.0
162.99046	1.5
163.03964	2.5
163.07564	1.5
163.14801	9.9
165.12825	2.5
167.03467	5.6
167.14452	2.2
171.10213	1.2
173.13245	16.2
174.13600	2.6
177.05467	2.1
181.04753	1.3
189.56239	1.3
190.29890	1.2
191.14299	24.0
192.14749	3.6
193.04881	1.8
193.08748	1.4
203.03487	1.9
209.11617	1.4
209.15369	43.9
209.17288	2.6
210.15813	2.1
211.09731	2.2
215.10413	1.2
219.21524	1.2
227.09291	1.9
227.12811	1.8
227.16406	27.5
228.12442	1.9
233.04562	3.1
239.06985	1.5
240.29216	1.3
257.08188	4.2
291.06464	1.6
293.08176	2.8
311.09253	3.4
323.09286	5.4
335.09320	4.4
345.32437	1.4
353.10211	6.9
371.11206	2.4
389.07083	2.4
389.13672	3.0
389.17929	43.7
390.18335	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2161
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03944	0.9
55.01859	1.0
55.05492	1.2
57.03407	1.3
57.07030	1.4
59.04974	1.5
61.02921	2.1
67.05484	4.4
69.03429	6.2
69.07049	2.5
69.55971	6.4
69.56378	2.2
71.04980	30.3
72.46006	0.9
79.05478	2.5
81.03407	2.8
81.07058	4.8
83.04955	1.4
83.08619	2.2
85.02894	17.0
85.06526	11.7
91.03967	1.2
91.05479	2.3
93.07027	4.0
95.04919	1.3
95.08585	5.6
97.02882	4.6
97.06501	2.3
99.04439	100.0
99.08095	1.5
99.70780	0.9
105.07011	4.3
107.08572	14.5
109.06499	2.6
109.10133	7.4
111.08031	1.5
113.09626	3.7
115.07505	1.2
119.08588	1.8
121.06454	1.3
121.10120	7.5
123.08055	12.2
123.11667	10.6
125.09629	4.7
127.03915	2.6
129.18945	1.0
131.08511	1.6
133.10106	12.7
135.08061	1.7
137.05919	1.1
139.11136	3.5
145.04976	2.0
145.10028	1.0
147.11674	4.5
149.09558	1.0
149.13228	5.8
151.11145	5.1
158.73660	1.0
163.11183	1.7
163.14896	1.0
165.12712	1.8
167.10632	2.9
169.12212	17.4
173.13219	7.7
173.39374	1.0
175.07535	2.6
183.13773	22.6
191.14264	7.2
209.15312	14.0
227.16385	67.8
228.16823	3.6
266.56955	0.9
268.12045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2161
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03936	1.2
55.01868	1.2
55.05491	1.1
57.03408	1.5
61.02906	1.8
67.05473	3.4
69.03418	6.2
69.07056	2.3
69.68961	6.8
71.04981	29.8
75.80173	1.0
79.05454	1.9
80.66348	1.0
81.03394	3.1
81.07041	4.2
83.08601	2.1
85.02890	17.6
85.06529	9.6
86.47678	1.0
91.03913	1.8
91.05419	1.5
93.07019	3.9
94.58461	0.9
95.04967	1.2
95.08578	4.1
97.02864	4.5
97.06495	2.8
99.04436	100.0
99.08108	1.7
100.04760	1.0
105.07021	4.9
107.08575	17.3
109.02856	2.7
109.06474	3.7
109.10122	5.2
111.08075	1.0
113.09628	4.1
114.51466	0.9
119.08535	1.8
121.10127	7.5
123.08040	12.4
123.11691	10.2
125.09590	5.2
127.03905	2.4
131.08551	1.7
133.10110	12.7
139.11148	4.2
145.04924	2.5
145.10074	3.0
147.11659	4.8
149.09601	4.5
149.13223	5.8
151.11145	5.1
153.09131	1.9
154.04619	1.1
165.12694	1.6
167.10614	2.2
169.12213	19.2
173.13289	6.0
183.13776	23.1
191.14264	7.0
209.15335	16.0
227.16374	80.6
228.16685	2.4
274.98154	0.9
366.04532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03928	1.5
55.01859	2.0
55.05502	5.8
56.05035	1.2
57.03418	1.8
59.04962	1.6
60.34607	1.2
65.03922	1.8
66.06144	1.0
67.05484	3.5
69.02774	1.2
69.03419	11.8
69.07052	6.2
70.06569	3.8
71.04987	3.8
72.83643	1.3
78.56259	1.2
79.05479	4.9
81.07043	7.3
83.04970	6.1
83.08604	4.1
85.02896	11.7
85.06529	2.1
86.09693	5.0
91.05467	4.9
93.06522	1.2
93.07006	6.5
95.04959	6.6
95.08598	8.9
97.02916	1.5
97.06542	6.2
97.10154	5.3
98.21136	6.6
99.04432	1.8
99.08074	7.1
103.05453	3.9
105.07030	8.7
107.08588	15.8
109.02850	1.5
109.06499	10.3
109.10162	8.1
111.04475	1.7
111.08072	6.1
113.05962	3.1
117.06974	1.4
119.08540	4.5
121.06501	1.7
121.10126	11.6
123.04436	1.8
123.08064	4.4
123.11671	1.9
125.06007	1.5
125.09621	43.6
125.10541	2.6
127.03950	1.5
129.06976	1.3
131.04955	8.2
131.08527	3.4
133.10117	14.0
134.10471	3.4
135.08026	6.3
135.11642	2.2
137.05963	6.1
137.09627	3.3
139.03851	2.7
139.07501	2.8
139.11154	1.2
145.10135	2.9
147.04427	2.3
147.11668	7.1
149.05940	1.5
149.09608	44.8
149.13202	5.7
151.11169	10.2
153.09091	15.6
154.09859	2.8
156.64380	1.2
158.10916	1.4
161.06001	2.0
163.03876	1.2
163.07532	4.6
163.14803	6.9
165.12688	3.0
167.07010	3.7
167.10612	2.1
173.13254	8.2
174.13574	3.0
175.07613	1.6
175.14827	2.2
176.15129	3.0
177.00676	1.2
177.05389	2.8
181.04932	7.5
189.12646	1.3
191.12637	2.0
191.14288	25.3
192.14546	1.4
209.08052	4.1
209.15346	100.0
210.15640	3.9
227.16405	16.0
265.09604	1.6
297.08740	2.4
329.02667	3.0
339.09424	2.3
389.13135	4.4
389.17419	2.0
389.26559	1.4
408.34454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03929	2.2
55.05503	6.2
57.03432	4.0
67.05497	9.8
69.03422	7.6
69.07060	8.6
70.21543	3.8
70.21971	5.4
71.04979	4.6
79.05466	6.7
79.10980	1.6
81.03434	3.1
81.07056	12.9
83.04972	6.7
83.08617	5.4
85.02907	13.0
85.06538	7.6
86.09703	2.1
91.05469	6.2
93.07032	17.9
95.04964	4.8
95.08596	21.9
97.02911	2.9
97.06521	4.3
99.04441	3.7
99.08081	16.5
105.07030	6.6
107.04942	8.8
107.08588	39.1
109.06508	15.0
109.10154	17.7
111.08070	5.1
116.98655	3.0
117.07038	2.1
119.08570	7.1
121.06483	20.3
121.10134	34.7
123.08054	17.3
123.11678	3.2
124.79746	2.0
125.05978	2.6
125.09631	6.9
127.11190	4.9
131.04895	3.7
131.08574	10.2
133.10115	20.8
135.08037	14.8
135.11700	7.4
137.05978	3.6
137.09631	8.4
139.07596	2.1
139.11157	3.3
139.38994	1.8
145.10197	2.8
147.11670	5.2
149.09608	52.9
149.13229	15.9
151.11200	17.9
153.09093	5.9
158.10948	2.2
158.99745	1.8
163.11165	3.2
163.14789	25.2
169.15079	2.2
173.13239	25.0
177.00687	2.2
177.05467	3.2
181.04909	4.1
191.14290	67.8
192.14644	3.7
197.53972	1.7
209.15346	100.0
209.74881	1.8
210.15671	5.0
219.10194	2.3
221.98544	2.3
227.16408	8.3
256.71533	1.8
297.08655	2.1
389.13181	7.9
390.02713	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	389.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.96563	1.9
63.43764	0.3
67.05492	0.9
69.07048	0.9
70.35718	1.6
70.36014	0.3
76.00837	0.4
79.05477	0.9
80.23942	0.3
81.03396	0.6
81.07051	2.5
81.14954	0.3
83.08618	0.4
84.20246	0.3
91.03892	0.4
91.05486	0.9
93.07029	1.5
95.08594	2.5
98.20887	0.4
100.46159	0.3
105.07014	1.4
107.08578	1.8
109.06535	0.4
109.10207	1.6
114.89709	0.3
117.06995	0.5
119.08558	4.0
121.10149	1.4
123.11668	0.5
131.08525	1.0
133.10130	2.3
135.11642	0.9
143.02878	0.3
143.08542	1.2
145.10106	3.9
147.11664	1.3
149.13269	0.6
155.03725	0.4
155.08612	0.3
157.10136	1.4
159.11690	1.6
161.13261	0.3
163.14900	0.6
169.10149	0.8
170.10872	0.8
171.11710	1.8
173.13232	1.4
177.16286	0.5
183.11644	0.8
185.13263	2.8
187.14815	4.3
189.04279	0.6
189.16331	0.5
195.11772	0.5
197.13277	0.7
199.06393	0.5
199.14804	0.6
201.16364	1.1
203.05968	0.5
209.13208	0.4
211.14891	0.4
213.16379	1.5
215.17949	1.1
217.07448	0.9
223.14842	0.8
225.16356	1.4
229.07509	0.6
231.09021	0.7
237.16365	0.7
247.08434	0.5
263.17804	0.4
265.19336	0.4
267.09018	0.5
269.12378	1.3
285.10129	1.2
293.22647	2.9
319.24075	0.6
331.15836	0.7
333.19138	0.7
338.55984	0.4
340.89926	0.3
349.12817	0.4
349.16730	2.5
367.17868	2.9
372.18982	0.4
389.22934	100.0
389.31894	7.5
390.19290	0.8
390.23447	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	389.2679
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03940	7.5
55.01859	5.1
55.05497	18.0
57.03427	12.7
57.07064	3.3
62.61013	3.5
66.72861	3.7
67.05500	26.0
69.03414	4.0
69.07055	11.5
71.04986	37.0
79.05495	18.3
81.03412	15.3
81.07050	28.1
83.04979	6.7
91.05477	28.2
93.07032	20.2
95.04946	10.5
95.08604	19.8
97.06557	4.2
98.21597	6.5
104.31384	4.6
105.07011	30.4
107.04954	8.3
107.08572	12.1
109.06523	7.7
109.10166	10.2
109.75278	4.0
117.06988	11.2
119.08590	16.1
121.06475	6.1
121.10150	7.5
123.08056	13.5
128.06186	5.5
129.07007	7.9
131.08557	15.2
133.06454	5.1
133.10110	12.0
135.08090	6.1
135.11700	9.4
141.06966	7.1
143.08545	11.3
145.10135	12.0
147.08070	6.6
147.11673	6.8
149.09631	5.5
151.07541	7.0
155.08522	4.7
157.10162	6.4
159.08066	10.4
159.11694	12.3
161.09598	6.3
163.11157	6.6
169.10089	9.2
171.11563	4.7
175.11188	7.7
177.12755	7.3
183.11684	7.1
185.13240	4.8
187.11169	13.6
189.12752	7.2
201.12708	5.3
215.14165	3.9
225.12718	3.7
239.17749	3.8
241.14108	5.1
267.17587	5.9
283.20444	8.3
285.18457	17.0
297.22116	7.9
301.21667	24.7
303.19553	11.0
315.23196	5.7
317.21149	5.8
343.26254	5.5
353.24811	21.0
371.25720	100.0
372.26196	6.2
389.26837	24.1
389.31268	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	389.2681
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.01862	0.9
55.05505	8.4
55.11531	0.5
56.96544	1.1
57.03416	0.9
57.94720	0.5
65.03941	0.9
67.05496	14.2
69.03425	0.6
69.07056	8.5
70.07437	0.6
71.04977	2.2
71.37820	1.0
73.06524	0.6
79.05048	1.0
79.05479	12.2
80.48341	0.5
81.07043	20.3
83.04970	1.0
83.08605	4.2
85.02899	1.0
85.06542	1.7
86.09675	0.8
91.05467	27.1
92.05766	0.8
93.07032	14.4
95.04968	2.5
95.08591	10.9
95.09161	1.0
97.02847	0.6
97.06524	1.5
97.10155	2.1
103.05436	1.3
105.07016	33.9
106.07340	1.0
107.04945	0.7
107.08571	8.2
109.06498	2.4
109.10145	3.6
111.08064	0.9
113.05978	0.9
115.05449	0.5
117.06998	9.9
119.08561	27.1
120.08907	1.1
121.06488	1.7
121.10113	4.9
123.08067	1.8
123.11709	0.9
125.09626	0.5
127.07542	0.8
128.06213	1.1
129.06992	4.5
131.00114	0.6
131.07571	1.1
131.08551	20.8
132.09277	0.5
133.06458	0.8
133.10114	13.4
134.10492	0.6
135.08086	1.2
135.11687	1.9
137.09601	0.6
137.72321	0.6
141.07030	1.9
142.07704	0.9
143.08539	8.9
145.06470	0.9
145.10094	15.6
146.10475	0.6
147.08002	1.4
147.11642	4.1
149.09599	1.6
149.13278	0.7
154.02397	0.6
154.07732	0.6
155.08508	4.0
157.10117	5.8
159.11658	7.3
161.09579	1.2
161.13257	1.3
163.11153	0.6
167.08578	0.8
169.10100	4.3
171.11674	4.3
173.09689	1.0
173.13316	2.9
175.11108	0.7
175.14819	1.0
181.10069	2.2
183.11636	3.9
185.09579	0.6
185.13252	2.6
187.11203	1.5
187.14815	3.2
193.10040	0.7
195.11678	1.7
197.13222	3.5
199.02583	0.6
199.14827	2.9
200.40891	0.5
201.12711	0.8
201.16437	1.1
209.13297	1.9
211.14819	2.0
213.16399	1.4
215.14304	1.2
215.17917	1.1
219.13776	0.9
219.17436	0.6
223.14825	1.3
225.16342	1.8
227.14255	0.8
229.15918	1.2
233.15416	2.0
235.14818	0.6
237.16338	0.9
241.15836	1.1
245.15350	1.0
247.16914	4.9
253.19325	0.8
255.17479	0.7
259.16925	1.8
261.18439	3.8
273.18430	1.4
275.20081	0.9
287.19940	0.7
325.25101	1.2
335.23602	3.7
343.26233	2.0
353.24734	10.2
353.28906	0.8
354.24890	0.8
371.25720	19.5
372.26208	1.7
389.26837	100.0
389.31830	5.6
390.27164	8.1
390.31790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
53.97564	0.8
55.05512	4.1
56.96552	0.8
57.07060	1.7
65.03933	0.7
67.05497	8.9
69.07066	7.8
79.05484	7.1
81.07050	20.5
83.08602	3.2
87.61153	0.7
91.05465	6.6
93.07032	12.4
95.08598	27.0
97.10172	1.3
98.22997	0.7
105.07018	16.4
107.08586	17.4
108.56673	0.7
109.10150	15.3
114.22565	0.8
117.07011	3.3
119.08566	35.1
121.10139	13.8
123.11722	5.2
128.06213	0.9
129.06993	2.1
130.07782	2.5
131.08557	10.7
133.09106	1.1
133.10110	20.4
135.11687	6.7
137.13226	1.7
141.06950	1.3
142.07767	2.7
143.08557	10.6
144.09297	2.8
145.10107	62.1
146.10458	0.8
147.11678	10.5
149.13246	11.9
154.07768	0.9
155.08510	5.3
156.09320	6.4
157.10115	14.8
158.10835	2.6
159.11674	39.2
160.12082	1.6
161.13217	7.5
163.14833	6.7
166.07852	0.9
167.08534	1.8
168.09364	1.3
169.10097	9.0
170.10896	26.0
171.11662	22.1
172.12390	2.1
173.13263	14.3
175.14824	6.3
177.16364	10.9
179.08632	1.0
181.10069	4.0
182.10938	2.8
183.11676	14.6
184.12453	1.3
185.13240	61.6
186.13573	1.2
187.14804	100.0
188.15147	2.6
189.16374	5.8
191.17952	1.4
193.10106	0.8
195.11697	5.1
196.12477	4.2
197.13240	12.6
199.14841	8.4
201.16380	13.2
203.17981	3.3
205.19423	1.6
207.11612	2.1
208.12381	1.4
209.13220	5.6
210.38161	1.0
211.14778	21.6
213.14336	1.1
213.16359	22.7
214.16772	0.8
215.17885	4.2
217.19539	3.3
221.13286	2.0
222.14113	1.0
223.14787	6.9
224.15327	0.9
225.16328	7.1
227.17963	6.0
228.38133	0.9
229.55785	1.0
235.14777	1.1
237.16389	7.7
239.17920	6.6
241.19560	2.1
249.16475	1.8
250.17091	0.8
251.17981	5.2
253.19495	3.2
255.21117	0.9
263.17886	2.1
265.19507	5.2
267.21054	2.9
277.19479	2.4
278.20398	0.8
279.21057	3.7
281.22546	1.8
291.20963	1.1
293.19611	1.4
293.22617	17.4
294.23056	1.0
295.24222	1.7
305.22620	2.9
307.24167	2.0
319.24084	5.2
333.25690	2.8
347.27341	2.5
366.16785	1.1
389.31992	91.8
390.32098	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	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00650	0.9
55.01865	1.9
57.03426	1.8
61.02905	2.2
66.81831	1.0
69.03423	3.1
69.24266	0.9
69.98564	4.8
71.05012	1.3
79.05482	4.2
81.03407	1.5
85.02892	10.1
91.05470	4.0
95.04972	1.2
97.02869	4.4
98.21410	1.2
103.05459	5.4
105.07016	41.9
107.04962	2.1
109.06520	1.1
115.05441	7.3
118.04153	2.8
119.04925	5.1
121.06470	2.0
124.36433	1.1
127.03913	1.2
131.04907	1.6
133.06473	46.0
134.03590	1.3
134.06784	1.5
143.06012	3.4
145.04897	3.1
147.04315	1.4
149.05974	2.2
151.07547	3.0
153.05412	2.6
161.05960	100.0
162.06354	2.3
167.06993	1.9
168.07843	2.9
179.06989	1.4
180.08646	4.2
193.08580	79.4
194.08884	2.8
196.07214	1.4
211.09645	15.5
212.09958	1.0
281.53021	1.3
345.56686	1.0
391.15070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12454	1.1
50.43543	1.0
51.58227	1.2
55.60825	1.1
56.96563	59.7
67.05499	2.7
67.67266	1.1
69.07060	1.6
70.71832	3.2
70.72209	1.0
71.95241	4.2
79.05459	2.3
81.07043	3.5
84.96024	1.1
91.03928	1.5
91.05460	1.2
92.98644	1.5
95.08605	1.5
97.96833	1.4
105.07029	2.4
107.08554	1.1
110.97571	2.0
113.37274	1.1
115.00629	1.5
119.08554	3.9
123.08026	1.3
128.98581	5.0
131.57358	1.2
133.01718	1.9
134.99623	1.5
137.02715	2.5
139.00612	1.9
141.02216	2.1
145.01729	1.1
145.10109	2.3
146.99603	7.5
147.03302	1.1
149.01230	1.5
149.02376	2.1
153.02196	1.5
155.03766	4.3
157.01692	2.7
159.03273	2.0
166.31557	1.2
167.03760	2.1
169.01689	3.5
171.03273	7.1
171.16777	1.0
173.04790	2.4
175.02779	1.4
179.02271	1.3
181.05334	1.9
181.98555	1.1
183.03374	1.7
183.06935	1.2
183.11583	1.3
185.04836	9.9
187.02779	1.9
189.04327	10.9
191.05951	1.9
195.06857	2.7
197.04796	2.0
197.08469	1.4
199.06369	9.3
201.04375	2.0
201.06088	1.1
203.05869	13.6
207.05247	1.2
211.06488	5.4
213.07964	9.0
215.05887	2.4
217.05437	0.9
217.07448	19.5
221.06699	1.7
221.08586	2.0
223.06398	1.3
225.08034	7.3
227.09511	3.6
229.07457	4.3
231.06889	2.8
231.09029	13.0
233.04974	1.2
235.06491	1.6
237.07997	6.4
239.09601	6.8
240.08934	1.4
241.07378	1.5
241.11006	1.4
243.09070	8.7
245.10576	5.0
249.08025	5.1
251.09456	8.3
253.07463	2.0
255.09018	30.4
257.10599	4.2
267.09021	44.3
269.10529	67.3
270.10815	2.4
273.10059	25.5
278.10629	4.1
279.08954	2.7
285.10059	71.8
286.10449	2.2
287.11627	31.1
290.10587	6.2
292.12143	14.9
296.11728	1.9
297.09869	2.4
303.11157	11.4
307.15665	1.2
308.11676	9.9
310.13284	3.4
331.15778	13.0
349.16821	47.5
350.16916	2.7
367.17902	100.0
368.18219	5.8
372.18463	6.3
385.19040	12.6
386.19241	1.4
390.19354	19.0
390.23505	6.1
390.32245	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	390.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
56.96558	52.8
62.77978	1.0
64.49277	1.4
67.05487	3.0
69.07054	2.8
71.62112	1.7
71.95248	4.4
72.96044	1.5
74.97588	2.1
79.05482	3.1
81.07033	4.8
83.08635	1.0
89.07922	1.0
91.05463	2.7
93.07051	1.6
95.04998	1.3
95.08578	3.4
96.08921	2.3
97.99187	1.2
105.07002	4.2
107.08573	3.3
109.10146	3.0
116.98576	1.5
119.08572	6.4
120.08900	2.8
121.10112	2.1
123.01238	1.4
123.11727	2.1
128.98576	3.3
131.08560	2.2
132.08870	1.1
133.10083	5.6
134.10446	1.8
135.11690	1.4
137.02727	1.3
145.10104	7.6
146.10457	4.0
146.99611	6.9
147.03259	1.3
147.11652	1.2
149.02330	3.4
153.02292	1.5
155.03793	3.0
157.01701	2.4
157.10141	1.3
159.03287	1.6
159.11697	4.0
160.12012	3.1
165.00801	1.6
167.03792	1.5
169.01671	1.6
169.10104	1.3
170.10741	2.3
171.03273	6.3
171.11537	2.6
173.04868	2.2
173.13231	2.6
175.02718	1.4
181.05357	1.5
183.03323	1.4
183.06842	1.1
184.12071	1.4
185.04851	6.6
185.13171	3.6
186.13551	3.9
187.14809	7.4
188.15100	8.8
189.04332	8.6
189.16367	1.1
191.05896	1.5
195.06810	2.1
197.13300	1.3
198.13652	1.2
199.06392	8.3
200.15149	1.4
201.16315	1.3
203.05872	12.1
207.05321	1.5
207.07043	1.6
209.06717	1.2
211.06337	5.2
213.07964	13.4
213.16368	2.1
214.16705	1.5
215.05862	1.6
217.07425	12.6
217.19543	1.3
225.07950	8.4
227.09514	3.0
228.18300	1.7
229.07442	3.5
231.07024	1.9
231.09021	23.0
236.09659	1.4
237.07968	4.2
237.16211	1.2
239.09428	5.7
240.09087	1.8
243.09010	8.3
245.10623	5.0
249.07918	6.6
251.09407	10.5
254.10641	1.7
255.09033	25.7
257.10562	4.8
259.12201	2.1
262.10898	1.5
267.08990	31.2
268.09558	1.2
269.10556	100.0
270.10968	3.9
273.10052	18.7
278.10657	4.5
279.08884	1.4
285.10074	51.8
286.10303	2.2
287.11615	45.9
288.11935	3.1
290.10556	5.2
292.12140	22.5
296.11618	2.5
303.11053	6.8
307.15616	1.4
308.11703	9.7
308.24576	1.3
310.13177	7.2
331.15762	8.0
333.14651	2.7
349.16827	28.3
350.17508	2.4
367.17874	63.4
368.18073	5.1
372.18341	3.4
385.19009	10.0
390.19376	18.5
390.27728	1.7
390.32318	24.9
390.37326	1.2
391.20160	1.5
391.24771	1.5
414.02261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96447	15.6
56.96768	5.8
57.06988	0.6
60.32402	0.5
62.30822	0.5
67.05400	0.7
70.06498	0.8
70.22480	1.8
71.95129	2.8
72.95950	1.2
74.97495	1.4
74.97848	0.5
77.62506	0.5
81.06958	1.2
84.18430	0.6
84.95921	0.9
88.07533	0.8
91.05359	0.6
94.26788	0.5
97.96661	3.6
107.08459	0.6
110.97466	1.3
115.97679	3.9
116.98451	0.6
117.99249	0.7
119.08469	0.9
125.59042	0.5
127.25588	0.5
128.98598	4.2
131.00008	0.7
132.10042	1.0
133.10019	0.8
133.98698	1.8
134.99527	0.6
141.02084	0.7
141.99292	0.6
143.00031	1.0
145.10043	0.7
146.10295	0.5
146.99637	6.7
149.02220	1.0
151.99985	1.0
155.00043	1.3
155.03630	1.1
157.01614	0.6
160.00246	1.8
161.01064	1.5
165.00629	1.1
169.01686	0.8
171.03113	1.0
172.00156	0.6
173.01070	1.9
173.04784	0.6
175.02686	0.7
178.01289	0.6
183.03317	0.8
185.01178	0.8
185.04700	2.3
185.98370	0.7
187.02588	2.1
187.14648	1.1
188.14973	1.0
189.04375	2.9
193.03667	0.9
194.13762	0.6
197.04851	0.6
198.05577	0.8
199.02654	1.2
199.06264	1.7
201.04184	1.8
202.04993	1.6
203.05902	4.2
205.07298	1.7
208.05995	0.7
211.06161	0.7
213.04181	1.1
213.07962	3.5
216.02957	0.9
216.06573	1.4
217.03740	1.0
217.07394	3.4
221.08440	0.9
223.06233	1.0
223.08206	1.1
223.09982	2.3
225.07841	1.8
227.05785	1.7
227.09496	0.8
229.07352	0.8
231.09012	6.1
237.04214	1.5
237.07834	0.7
239.09531	5.1
241.03830	0.7
241.07396	1.0
241.11098	23.9
242.08116	3.0
242.11057	0.9
243.08849	1.5
245.06981	1.1
245.10516	1.7
251.09494	1.2
253.11037	1.6
255.05147	0.8
255.09003	1.4
257.10522	4.4
259.12152	41.3
260.09232	2.9
260.12262	1.3
262.11078	1.2
264.12686	4.0
267.09085	3.1
269.10486	4.3
270.10995	0.8
271.12045	1.7
273.09976	1.4
279.08911	2.4
280.09637	2.5
282.13812	4.1
285.09961	2.0
287.11673	3.0
297.10034	4.6
298.10800	3.8
299.11505	0.5
303.11493	0.7
307.15567	1.9
315.11136	1.3
316.11914	2.9
321.12384	0.8
325.16937	0.7
331.15723	6.0
339.13339	0.8
349.16806	46.6
350.17352	3.0
350.21637	0.6
367.17889	100.0
368.18198	7.2
372.18317	4.3
385.18958	9.0
390.19495	29.6
390.32089	1.8
390.36444	3.8
391.19748	2.1
391.24438	11.3
391.29633	0.6
408.20688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.9
57.07046	0.8
59.04982	1.0
59.05498	0.9
59.74356	0.7
63.27393	0.9
67.05492	5.7
69.07062	2.2
70.09675	4.0
71.04984	1.1
79.05482	3.1
81.03419	1.3
81.07035	2.7
83.08605	1.0
85.06528	9.5
91.05474	2.0
93.07026	6.0
95.04929	1.8
95.08591	4.9
97.06517	0.9
99.08079	86.4
100.08452	1.0
105.07034	2.4
107.08587	7.2
109.06503	0.8
109.10143	13.4
112.85548	1.0
119.08586	5.7
121.10111	3.0
123.08018	1.3
123.11712	2.2
127.03951	1.0
133.10115	33.2
134.10451	1.1
135.11678	10.7
137.05936	1.1
137.09586	5.7
145.10103	1.2
151.11147	2.8
161.40681	0.9
165.16400	0.9
167.07074	4.1
175.14828	8.2
181.04880	1.2
193.15858	100.0
194.16232	1.9
243.13954	0.9
244.13857	0.9
295.73044	0.8
333.42828	1.0
372.15234	1.3
390.27243	1.8
390.32202	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25380	0.9
55.01839	1.2
55.05503	3.1
56.05033	2.5
56.96553	2.9
57.07057	1.5
59.05001	1.2
61.02903	1.3
65.03931	1.1
65.10994	1.0
66.42966	0.9
67.05503	6.2
69.03426	3.6
69.07067	3.2
70.06574	3.2
71.04990	1.4
71.63235	1.4
73.80666	0.9
77.46765	0.9
79.05492	3.5
81.03395	2.3
81.07063	3.6
83.05011	1.5
83.08626	1.5
84.08157	1.0
85.02892	5.0
85.06541	9.2
85.38824	1.0
86.09710	3.5
91.05477	4.6
93.07021	9.5
95.04984	2.1
95.08611	8.2
97.02858	2.3
97.06522	1.3
98.97581	2.7
99.08083	88.0
105.07047	4.3
107.04963	1.1
107.08588	7.6
109.06516	3.2
109.10146	14.5
111.08115	1.0
113.09646	0.9
116.98592	2.6
119.04934	2.0
119.08549	5.2
120.08119	1.1
121.06440	1.1
121.10172	3.4
123.04427	3.7
123.08096	1.6
123.11710	2.2
125.06026	1.0
125.09644	1.5
127.03927	1.2
130.06514	1.9
131.08514	1.7
133.10121	22.7
133.11084	1.7
134.99654	1.1
135.11667	10.9
137.05969	2.9
137.09583	4.3
139.11211	1.4
145.10135	1.4
147.04396	3.9
149.02385	2.2
149.06024	1.1
149.13333	0.9
151.03957	1.0
151.11211	2.9
161.06010	2.3
161.13158	1.2
165.05449	1.2
167.07027	2.3
167.08485	1.0
173.07114	1.0
173.67546	1.0
175.14786	8.7
177.00713	1.6
177.05490	4.2
178.05852	1.1
181.04984	1.2
183.10234	1.2
193.15868	100.0
194.16232	2.8
204.08571	1.0
207.10136	1.0
210.15663	1.1
220.09663	1.5
228.12325	2.2
228.16626	1.1
237.02934	1.4
242.19659	1.1
298.09058	1.3
369.17603	1.6
372.13464	1.9
378.17175	1.1
389.14722	3.5
390.14346	4.7
391.14304	1.7
391.19232	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	391.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05522	1.7
57.03428	1.2
57.07053	1.4
59.30414	0.8
62.18481	0.8
67.05485	3.9
69.03419	1.9
69.07080	0.8
70.06574	2.7
70.71096	2.8
71.04977	2.7
71.08615	3.1
72.08159	1.7
78.77696	1.0
79.05460	1.2
79.57015	0.8
81.07033	1.7
83.04967	1.1
84.08142	1.2
85.02895	2.7
85.06547	1.8
86.09701	1.0
87.15005	0.9
91.05495	0.9
93.07047	1.4
94.06519	1.1
95.04982	1.4
95.08603	2.5
97.02870	1.3
98.20850	0.9
99.04441	3.0
100.04785	1.2
105.07038	2.0
107.08575	1.8
108.08085	1.7
109.10111	2.5
119.08537	1.3
120.08092	1.0
121.10172	1.3
123.08049	0.8
123.11724	1.3
130.06505	0.9
133.10098	2.3
135.11673	1.0
136.91295	0.9
138.05481	2.1
146.05983	1.5
147.11655	1.2
148.07545	2.8
149.02332	18.7
151.11226	1.5
157.07594	0.9
161.05994	3.3
161.09592	1.3
166.04959	1.9
167.03386	2.6
167.07016	1.5
168.06601	1.1
172.07654	1.0
173.11723	1.1
175.14838	1.5
184.11218	0.9
185.10780	1.2
189.08958	1.3
189.10378	1.4
191.66855	1.1
196.11259	1.0
197.10733	1.8
199.08624	4.5
201.10181	0.9
202.08679	1.1
207.10167	2.3
211.08632	11.5
211.12291	2.4
211.16911	1.8
212.09413	3.8
213.10211	5.4
219.78059	1.0
221.10779	2.2
222.09138	1.9
223.08904	1.1
224.09152	1.9
224.10997	1.7
225.06792	5.0
225.10216	25.8
226.10928	2.5
227.11792	2.9
228.10243	1.7
228.16504	1.0
229.09711	3.9
229.14342	2.1
239.08153	1.7
239.11783	19.0
240.08910	1.9
241.09738	3.7
241.13306	1.3
243.07663	1.9
243.11302	1.2
244.12029	1.9
245.12827	26.7
246.13257	1.5
249.10323	1.8
252.08981	2.6
253.09694	12.8
254.10555	2.6
255.11293	3.7
257.12851	8.7
259.10635	1.4
267.08392	1.7
267.11273	28.5
268.12021	2.3
269.12784	1.4
271.10782	1.3
273.12378	1.5
281.09116	2.1
283.10721	2.6
284.11502	2.4
285.09314	1.4
285.12341	11.7
295.10794	16.5
297.12302	2.2
299.10361	1.5
301.11798	5.7
313.11801	100.0
314.12161	5.3
315.13434	2.7
323.10251	1.6
329.11298	1.3
331.12842	33.5
332.13272	1.7
335.74973	1.0
341.11276	11.6
342.11606	1.1
359.12363	40.7
373.13934	41.7
374.14447	1.6
377.13495	2.5
391.14978	42.1
392.15176	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54286	0.6
54.60427	0.6
55.01845	1.4
55.05483	2.5
55.48742	0.7
57.03411	0.9
57.07040	2.3
60.43576	0.7
67.05462	2.7
69.03391	2.8
69.07048	1.4
70.06570	1.7
71.04951	2.8
71.08585	2.4
71.61168	0.9
72.08134	1.3
73.02877	1.0
79.05472	1.5
81.03388	2.0
81.07018	3.0
83.04945	2.0
84.08095	1.2
85.02891	4.7
85.06509	1.6
86.09654	1.3
91.05448	2.2
93.06988	2.5
94.06557	0.8
95.04929	1.4
95.08550	2.7
97.02834	2.1
97.06478	1.4
99.04450	5.4
100.04760	1.8
105.06969	1.9
106.06454	0.8
107.04893	1.0
107.08572	3.8
108.08095	1.1
109.02850	1.0
109.10159	4.8
111.08051	1.4
119.04942	1.1
119.08523	2.5
120.08050	1.0
121.02817	0.8
121.06419	1.1
121.10101	2.1
123.08014	1.1
123.11636	2.0
125.09563	1.8
127.03893	1.1
127.11161	0.9
129.06895	1.1
130.06445	1.5
131.04837	0.8
131.08522	1.1
133.06404	0.8
133.10074	2.7
135.08028	1.2
135.11650	1.4
137.05930	1.2
137.09560	1.1
138.05428	2.1
139.11163	0.9
146.05957	0.8
148.07539	2.3
149.01125	1.2
149.02310	20.4
149.05966	1.1
149.09628	0.9
149.13266	1.7
151.03827	1.3
151.11125	0.8
151.92143	0.7
153.06944	0.7
157.07552	1.6
159.11627	0.8
161.05962	5.5
161.09554	1.0
163.07433	0.7
165.24452	0.7
166.04927	2.0
167.03316	2.9
167.07022	1.5
167.10762	0.8
168.06548	0.9
173.13214	0.7
174.05478	1.2
175.07425	1.0
175.14784	1.7
177.09065	1.1
181.08551	0.8
189.08864	1.4
189.10370	1.3
196.11172	1.0
197.10635	2.1
199.08664	3.5
201.10190	0.7
202.08557	1.1
206.08244	0.8
207.10243	3.8
211.08623	9.5
211.12222	2.1
211.16975	3.2
212.09329	3.3
213.10097	5.7
221.10635	0.9
222.09052	2.0
223.08594	1.3
223.12260	0.8
224.09276	2.4
225.06812	4.4
225.10159	24.5
226.08714	0.8
226.10667	3.4
227.08075	1.1
227.11761	2.6
227.16373	2.7
228.10255	1.1
228.16650	1.2
229.09828	3.5
229.14273	1.8
229.17047	2.2
230.11790	1.4
237.10161	0.9
239.08008	2.7
239.11761	17.9
240.08812	2.3
240.12367	1.4
241.09758	5.1
241.13287	2.2
243.07611	2.5
243.11308	1.2
244.11977	0.8
245.12827	23.8
246.13138	0.9
249.10188	2.3
250.08742	0.8
251.11809	1.0
252.08971	2.8
253.09680	12.1
254.10411	2.8
255.11185	3.9
257.10208	0.8
257.12796	9.7
259.10559	1.2
267.11243	25.0
268.11899	2.7
269.12827	2.7
271.10599	1.5
273.12183	1.7
281.09106	0.9
283.10599	2.6
284.11478	2.8
285.09158	1.1
285.12289	11.6
286.12589	0.8
295.10687	20.6
296.11053	0.8
297.12253	2.4
299.10269	1.1
301.11798	5.7
313.11755	100.0
314.12079	6.1
315.13190	2.6
323.10199	1.7
331.12781	30.0
332.13226	1.3
341.11310	12.0
345.14175	0.8
346.09982	1.4
355.12314	0.8
359.12299	39.1
360.12491	2.1
368.28391	0.8
373.13885	42.3
374.14359	2.1
377.13321	1.4
391.14917	41.8
392.15128	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	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50663	0.6
54.18203	0.6
55.01863	1.1
55.05487	0.6
57.07062	1.3
69.03413	1.3
69.07036	1.1
70.83962	1.7
71.04987	0.6
71.08629	2.3
78.04720	1.2
79.05486	2.5
81.03435	0.6
81.07034	1.6
83.08581	0.8
85.01648	0.6
85.02886	1.5
91.03967	0.6
91.05476	3.7
93.07027	2.2
95.04963	0.9
95.08602	1.3
97.06534	1.3
103.05455	1.2
105.07037	2.3
106.04155	0.8
107.04946	2.1
107.08595	1.2
109.02902	0.8
109.06518	0.8
109.10144	1.3
119.04903	2.9
119.08571	1.6
120.56378	0.6
121.02879	1.0
121.06477	1.1
122.03657	0.9
123.04409	2.7
124.05192	1.8
125.09618	0.6
129.06947	0.6
131.04909	1.8
131.08533	0.9
133.06494	0.8
133.10165	1.1
134.06837	0.6
135.11702	0.7
137.05959	9.3
143.08557	0.6
145.10059	1.4
148.05194	1.0
149.02330	14.4
149.03471	1.1
149.05956	2.0
151.03897	1.5
151.07571	3.6
152.04642	1.2
159.11681	0.8
160.33087	0.6
161.05984	2.1
165.09140	0.7
167.03323	1.6
167.07028	100.0
168.07349	1.9
177.05487	0.9
181.04948	1.0
181.08588	7.0
187.07486	0.6
187.14836	0.7
189.09177	0.7
189.12785	1.4
189.60164	0.6
193.08591	3.4
194.05687	1.1
197.13026	0.7
203.02461	0.6
209.08073	4.6
211.09645	4.0
221.06015	0.7
229.06816	1.3
236.76033	0.7
257.07877	0.6
271.04471	0.9
273.11401	0.6
297.11154	1.0
309.11102	0.8
311.01736	0.7
327.03482	1.7
329.13849	1.0
341.13641	0.9
345.04517	29.2
345.13297	1.1
346.04761	4.4
350.05103	1.4
363.05576	19.4
364.05765	2.4
368.06165	17.1
368.10025	0.4
369.06235	2.3
374.03262	1.4
379.74680	0.7
386.06912	4.0
391.07718	2.4
391.30029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50663	0.6
54.18203	0.6
55.01863	1.1
55.05487	0.6
57.07062	1.3
69.03413	1.3
69.07036	1.1
70.83962	1.7
71.04987	0.6
71.08629	2.3
78.04720	1.2
79.05486	2.5
81.03435	0.6
81.07034	1.6
83.08581	0.8
85.01648	0.6
85.02886	1.5
91.03967	0.6
91.05476	3.7
93.07027	2.2
95.04963	0.9
95.08602	1.3
97.06534	1.3
103.05455	1.2
105.07037	2.3
106.04155	0.8
107.04946	2.1
107.08595	1.2
109.02902	0.8
109.06518	0.8
109.10144	1.3
119.04903	2.9
119.08571	1.6
120.56378	0.6
121.02879	1.0
121.06477	1.1
122.03657	0.9
123.04409	2.7
124.05192	1.8
125.09618	0.6
129.06947	0.6
131.04909	1.8
131.08533	0.9
133.06494	0.8
133.10165	1.1
134.06837	0.6
135.11702	0.7
137.05959	9.3
143.08557	0.6
145.10059	1.4
148.05194	1.0
149.02330	14.4
149.03471	1.1
149.05956	2.0
151.03897	1.5
151.07571	3.6
152.04642	1.2
159.11681	0.8
160.33087	0.6
161.05984	2.1
165.09140	0.7
167.03323	1.6
167.07028	100.0
168.07349	1.9
177.05487	0.9
181.04948	1.0
181.08588	7.0
187.07486	0.6
187.14836	0.7
189.09177	0.7
189.12785	1.4
189.60164	0.6
193.08591	3.4
194.05687	1.1
197.13026	0.7
203.02461	0.6
209.08073	4.6
211.09645	4.0
221.06015	0.7
229.06816	1.3
236.76033	0.7
257.07877	0.6
271.04471	0.9
273.11401	0.6
297.11154	1.0
309.11102	0.8
311.01736	0.7
327.03482	1.7
329.13849	1.0
341.13641	0.9
345.04517	29.2
345.13297	1.1
346.04761	4.4
350.05103	1.4
363.05576	19.4
364.05765	2.4
368.06165	17.1
368.10025	0.4
369.06235	2.3
374.03262	1.4
379.74680	0.7
386.06912	4.0
391.07718	2.4
391.30029	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2323
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.03943	1.0
55.01869	1.0
55.05500	3.7
56.05035	0.8
57.03440	1.4
57.07057	3.7
59.05001	1.9
67.05492	7.6
69.03420	3.0
69.07066	6.1
69.43439	8.4
70.06564	1.6
71.04983	2.1
71.08617	4.0
72.08149	2.2
79.05486	4.0
81.03410	2.2
81.07043	11.5
83.04974	1.8
83.08627	5.0
85.02892	6.7
85.06534	2.0
86.09733	1.2
91.05458	4.7
93.07027	7.4
95.04935	2.0
95.08597	33.2
97.02866	3.0
97.06530	2.6
97.10163	1.5
98.09686	2.2
98.21105	4.1
98.97557	0.9
99.04456	1.8
101.06028	1.5
105.07023	3.6
107.08571	7.7
109.06483	1.3
109.10136	13.0
111.08064	1.9
115.05447	1.3
115.07578	1.9
116.98569	1.0
117.07000	1.4
119.08553	4.9
120.08093	0.9
121.06476	2.1
121.10146	4.7
123.04472	2.0
123.08064	1.7
123.11666	4.5
125.09621	4.0
127.03917	1.8
129.06992	1.0
129.24756	0.8
130.06516	15.7
131.08598	1.7
132.08075	15.0
133.10127	7.1
135.04408	0.9
135.08162	1.0
135.11687	8.1
137.05988	2.5
137.09602	4.8
139.11168	3.1
142.06497	2.1
143.08540	1.5
144.08070	9.3
145.04979	1.9
145.10081	2.0
146.06039	2.4
147.11682	1.8
149.01144	2.0
149.02328	26.6
149.13235	2.8
151.07582	1.3
151.11159	1.0
151.14746	1.1
157.10091	1.1
159.09163	34.0
159.11609	1.4
160.07625	1.3
161.05991	1.5
161.09651	1.1
163.14789	7.4
165.05367	0.9
165.16345	1.0
166.08847	1.0
167.03397	3.6
167.07066	2.5
167.44585	0.9
169.07629	1.2
170.05983	10.8
173.13286	1.3
175.14804	9.8
177.09088	1.5
181.15865	9.7
182.06097	0.9
183.06590	2.0
185.13292	1.1
188.07007	1.7
189.09221	1.2
191.06873	0.9
191.14201	1.1
193.15869	13.1
199.14937	1.0
199.16833	1.3
205.09802	1.4
211.16905	100.0
212.17233	3.1
217.09702	1.3
229.17935	8.2
237.59024	0.9
243.07710	1.3
245.09196	14.6
253.66646	0.8
313.10730	0.9
331.11740	2.3
373.22171	2.1
373.26712	1.1
374.14896	5.6
391.13550	1.5
391.17743	1.9
391.22131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10980	0.4
55.05485	1.0
56.96550	1.2
57.07059	1.5
61.02938	0.5
67.05484	1.8
67.51196	0.4
69.07057	1.1
70.06556	0.5
71.08617	1.4
74.36660	0.4
79.05466	1.1
81.07050	3.2
85.02869	0.5
86.92351	0.4
88.86828	0.4
91.03961	0.4
91.05460	1.0
93.07034	1.7
95.04948	0.5
95.08601	2.5
98.21373	1.9
105.07030	1.3
105.73494	0.4
107.08582	1.9
109.10130	1.0
117.07012	0.5
119.08564	2.1
120.05239	0.4
121.10135	1.7
131.08553	0.9
133.10129	2.0
135.11664	1.3
143.08539	0.5
145.10101	1.3
147.11723	0.9
149.02321	8.9
149.13254	0.8
157.10133	0.8
159.11682	1.2
161.13246	0.5
163.14905	0.4
167.03366	1.4
167.76271	0.4
169.10065	0.5
171.11728	0.6
173.13275	0.9
175.14725	0.5
177.16324	0.8
187.14792	1.0
189.16371	0.8
201.16344	0.6
203.17949	0.5
211.14847	0.7
215.17969	0.5
239.18091	0.5
241.19464	0.8
245.22636	0.5
253.19469	0.6
254.82872	0.5
255.21049	0.7
267.09052	0.6
269.10651	0.9
285.10187	1.8
293.22656	0.6
313.65240	0.5
329.32358	1.0
333.17062	0.8
369.19073	0.4
373.27371	0.4
391.24515	100.0
391.33536	7.9
392.24863	4.1
411.85492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.3
57.07084	0.7
67.05491	0.9
69.07037	0.4
69.60725	1.8
69.61132	0.7
71.08620	1.0
74.58414	0.3
79.05491	0.5
79.32102	0.3
81.07034	0.7
93.07053	0.8
95.08587	0.8
97.02947	0.4
98.20779	0.4
105.07002	0.4
107.08574	0.6
109.10115	0.8
109.12373	0.3
115.97761	0.3
119.08578	0.5
121.10118	0.6
128.98557	0.6
131.08557	0.4
133.10120	0.5
135.08113	0.4
137.68573	0.3
146.99641	0.4
149.02328	8.8
157.10091	0.5
159.11723	0.6
165.01099	0.4
167.03419	1.3
173.13196	0.3
187.14786	0.4
203.05980	0.4
223.74632	0.4
240.09877	0.5
241.11127	1.3
242.11455	1.5
244.09943	0.4
259.12134	1.7
260.12491	2.4
281.10452	0.4
285.10056	0.4
321.16721	1.5
332.16223	0.4
349.16901	1.1
350.17200	4.4
351.17780	0.4
367.17792	2.2
368.18243	11.1
369.18628	0.6
386.19522	0.7
391.20389	4.2
391.24509	100.0
392.24759	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	391.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14670	3.0
53.03934	4.4
55.01866	4.5
55.05499	15.0
56.96565	5.6
57.07070	11.6
65.03943	3.4
67.05497	20.1
69.03424	4.4
69.07064	12.6
69.97350	14.3
70.06588	3.0
71.04979	4.3
71.08623	10.1
73.44672	2.5
79.05479	18.5
81.07043	38.8
81.07446	3.6
83.04980	6.3
83.08617	5.2
85.02846	2.5
85.06547	4.8
85.48975	2.7
91.05466	35.5
93.07031	43.2
95.04965	37.9
95.08603	26.7
97.06546	8.2
98.20709	3.6
105.07023	55.7
107.08575	30.0
109.06511	6.9
109.10154	13.2
109.90063	2.8
117.07036	11.4
119.08576	49.3
121.02830	2.8
121.06504	9.6
121.10120	25.8
121.45095	3.0
123.08089	6.2
123.11752	5.1
123.63623	2.9
128.06224	10.2
129.07036	11.8
130.07790	6.1
131.08580	24.5
133.10129	18.8
135.08057	6.1
135.11725	10.4
137.09596	4.1
141.06992	4.0
142.07826	14.1
143.08539	33.1
144.09314	7.1
145.10095	44.5
145.11124	4.1
146.10487	3.4
147.08058	5.6
147.11700	12.6
149.02322	76.2
149.09601	5.3
149.13239	6.4
153.07008	4.4
155.08575	14.4
156.09268	14.1
157.10097	30.4
159.08122	6.4
159.11723	17.1
161.09625	7.2
161.13287	3.8
163.11205	4.3
165.07042	5.6
167.03456	8.8
167.08620	7.9
167.10719	3.8
168.09459	5.2
169.10155	25.3
171.11700	20.5
173.09598	6.1
173.13231	16.2
175.11263	3.7
175.14957	4.0
179.08595	12.5
181.10091	17.1
182.10957	6.3
183.11595	13.5
185.13312	12.1
187.14912	9.0
191.14391	5.6
192.09511	6.4
193.10136	12.1
194.10954	6.9
195.11598	14.2
196.12476	7.3
197.13295	14.0
199.11211	7.4
199.14868	11.1
201.12796	3.9
201.16441	4.0
205.10208	4.6
206.10919	3.6
207.11635	13.5
208.12495	4.2
209.13307	13.2
211.11140	3.5
211.14832	9.3
213.16324	17.4
219.11728	6.8
220.12515	5.2
221.13240	9.9
222.14093	5.7
223.14856	7.2
225.12747	3.3
225.16502	3.3
227.14354	3.0
231.11742	3.9
233.13361	7.2
233.15448	4.1
235.14865	10.2
237.12871	4.6
238.17249	3.4
239.18135	3.9
246.14040	4.3
247.14978	6.1
249.16434	12.3
250.16705	3.1
251.18217	3.1
259.14807	3.6
261.16528	6.6
263.18100	5.3
270.14236	2.8
273.16473	5.2
275.18030	6.0
282.19919	4.8
291.17654	3.7
299.18021	3.8
317.19107	3.4
329.32462	4.6
335.20291	6.7
373.24982	15.0
391.26196	100.0
391.33701	6.5
391.36703	8.9
392.26590	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	392.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.2
62.06729	0.1
63.21630	0.1
69.03416	0.2
69.07047	0.2
71.61001	0.2
76.80855	0.1
79.40487	0.1
81.07027	0.2
85.02864	0.6
91.05449	0.3
93.06987	0.3
95.08575	0.2
97.02843	0.2
105.06983	0.2
107.04925	0.5
107.08584	0.2
109.10068	0.2
119.08585	0.2
120.04439	0.3
121.10091	0.2
127.03873	0.1
131.08553	0.2
136.07491	0.1
142.07704	0.2
145.10031	0.2
149.02310	0.4
149.13315	0.1
157.06410	0.2
157.10068	0.2
159.06752	0.1
160.07491	0.2
167.07095	0.2
171.07980	0.2
172.07538	0.3
173.08328	1.6
174.09113	0.4
183.06694	0.2
184.07533	0.7
187.09914	0.4
188.10703	0.3
197.08334	0.3
198.09009	0.2
200.07112	0.5
201.07785	0.6
202.08626	2.3
202.12262	0.6
204.83887	0.1
212.10739	0.7
214.08594	0.5
215.09381	1.5
228.10176	0.3
230.11736	100.0
231.12065	3.1
231.14214	0.3
272.12790	0.2
369.99164	0.1
374.03241	0.2
392.17007	5.0
392.30249	0.3
413.39175	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	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46523	0.4
52.69325	0.5
52.70891	0.5
53.03922	0.8
54.70554	0.5
55.01854	0.8
56.96549	0.7
57.03412	0.9
58.85541	0.5
61.02914	0.6
63.62478	0.6
69.03426	2.5
70.06570	2.0
71.04956	1.1
76.02250	0.5
79.05479	2.9
81.03396	1.8
81.07031	1.0
84.04476	1.0
85.02898	7.5
86.09702	0.8
87.04467	0.6
91.03947	0.8
91.05462	2.0
93.07043	0.6
95.04961	1.3
97.02880	2.3
98.42501	0.4
98.97538	0.6
103.05458	3.5
105.07012	4.5
107.04939	33.8
107.08538	1.2
108.05246	0.9
109.02932	0.5
115.05410	1.3
116.98601	0.6
117.06992	1.0
120.05699	1.3
121.06461	1.3
123.04408	2.4
124.05183	1.1
125.05943	0.7
127.03896	1.2
129.05458	1.4
131.04921	2.2
135.04352	0.9
135.08041	11.4
136.07501	0.5
136.08403	0.7
137.05965	1.4
139.03920	0.6
142.06825	0.9
145.02756	1.1
145.04861	1.3
145.07605	1.0
147.04399	1.2
149.02315	1.5
149.05960	0.6
150.02628	1.2
151.03900	0.8
151.07530	0.8
152.04654	1.4
154.06233	1.2
163.03879	0.7
163.07520	29.3
167.07014	81.2
168.07391	2.4
177.05467	1.3
180.07550	0.7
180.08763	1.6
181.08585	1.6
182.40067	0.6
195.06439	1.4
195.10143	23.7
196.10558	0.6
197.88210	0.5
208.09691	1.7
213.11185	100.0
214.11507	3.2
227.08058	1.5
237.02895	0.7
241.09737	0.5
255.07608	0.7
269.03268	1.7
269.09207	0.7
287.04224	1.3
297.08777	0.6
309.02945	0.5
315.09610	1.3
343.08997	0.6
375.11884	3.4
392.08463	0.8
392.14001	0.7
393.12695	1.2
393.24368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
56.58910	0.6
57.76625	0.7
61.02925	1.5
63.40356	0.6
69.03413	3.8
70.41470	2.5
70.44132	0.7
79.05470	3.7
79.91843	0.7
81.03390	1.6
85.02886	9.9
88.32590	0.6
91.05457	1.4
95.04965	1.8
95.57527	0.7
97.02861	3.0
98.21434	0.8
99.04472	0.7
102.11160	0.7
103.05452	5.6
103.99950	0.7
105.07019	2.7
107.04939	43.6
109.02864	1.2
115.05411	2.0
117.06979	1.3
123.04405	2.5
124.05167	1.1
127.03909	1.5
131.04926	1.7
135.08038	13.5
136.08359	0.8
137.05986	1.0
138.39856	0.7
145.04947	2.0
147.04422	1.1
149.06035	1.0
151.30678	0.6
152.04680	1.1
154.06235	2.1
163.07524	32.4
167.07016	95.8
168.07355	2.7
177.91180	0.6
180.07777	1.9
181.08499	1.2
195.08310	1.3
195.10147	25.8
196.10454	0.7
208.09663	1.2
213.11188	100.0
214.11595	3.8
317.35410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57423	0.5
53.03926	2.3
55.01855	0.8
55.05486	0.9
56.96544	1.7
57.03432	8.1
61.02917	3.6
67.05477	1.3
67.68723	0.6
69.03074	0.8
69.03423	14.8
69.07063	0.8
69.68501	1.2
69.68911	3.2
70.06554	1.8
71.01328	1.9
71.04974	3.7
73.02914	3.6
75.04454	2.5
79.05513	0.8
81.03403	4.3
81.07047	1.6
85.02901	4.2
86.09675	1.8
87.04455	1.2
91.05468	1.2
93.07012	1.7
95.08575	0.9
97.02872	1.6
98.20865	1.3
98.21435	0.9
98.97581	1.0
99.04466	5.5
99.08064	0.7
105.03374	1.7
105.07003	1.8
107.08565	2.1
109.06493	0.8
109.10114	2.5
116.98601	0.9
117.05508	0.8
119.04945	0.6
119.08553	1.2
120.08044	0.7
121.10128	1.1
123.04436	0.8
123.08031	1.0
125.05972	1.6
127.03908	1.0
127.11169	1.8
129.06964	0.6
131.04901	1.1
133.07607	0.7
133.10097	2.5
135.11668	1.2
137.05916	1.0
145.10211	0.7
147.04370	1.1
147.11626	0.8
149.13223	1.1
150.57184	0.6
151.03899	2.9
151.11183	0.7
153.01819	6.2
160.08632	1.0
160.88829	0.6
161.07104	2.8
163.11084	0.8
173.05684	0.6
173.13188	0.8
175.08472	0.8
177.00584	1.0
179.06993	1.0
186.06578	1.0
188.08167	21.8
190.09692	0.9
191.14317	0.6
195.02873	0.9
197.08080	2.3
201.16069	0.6
214.06096	3.5
214.08200	0.6
216.07637	2.4
231.06599	3.2
231.08595	0.6
231.15466	0.8
232.07124	11.6
234.08746	3.3
255.06467	0.8
259.08246	59.5
260.06378	1.3
260.08771	1.1
288.09781	0.6
312.13977	3.1
313.09149	0.6
375.12985	4.3
393.13934	100.0
393.66891	1.2
394.14334	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.05515	23.2
55.56296	4.4
57.07064	6.6
60.47394	3.8
67.05495	26.5
69.03394	4.9
69.07072	23.8
71.14468	11.1
77.63999	4.1
79.05487	33.4
81.07047	71.4
83.04964	8.1
83.08619	9.9
91.05475	47.8
93.07030	87.4
95.04964	58.0
95.08047	6.2
95.08598	56.3
97.06528	10.8
98.20999	6.1
105.07017	90.8
107.08591	54.9
109.06503	15.5
109.10149	31.7
117.06985	22.4
119.07771	9.0
119.08568	100.0
121.06459	25.4
121.10129	42.0
123.08030	7.6
123.11719	16.0
128.06219	7.2
129.07004	13.5
131.08527	39.2
133.10135	61.2
135.08043	8.7
135.11687	28.8
142.07787	16.3
143.08585	32.3
144.09306	11.9
145.10110	68.9
147.08073	6.5
147.11696	26.3
149.13213	9.7
155.08604	5.3
156.09308	11.5
157.10118	56.2
158.10838	8.0
159.08131	6.6
159.11662	54.3
161.09621	15.0
161.13293	9.6
163.14795	5.4
165.07039	5.1
168.09319	7.7
169.10132	23.1
170.10841	5.6
171.11688	26.9
173.13213	25.3
175.11188	13.3
175.14818	23.4
181.10139	12.5
183.11684	16.8
185.13289	12.0
187.11156	14.3
187.14832	17.2
189.16447	5.0
195.11659	13.5
195.21667	4.6
197.13255	18.1
199.14795	11.8
201.16316	11.2
207.02463	4.5
209.13240	23.9
211.14804	10.3
215.18082	7.6
221.13391	5.5
223.14726	5.4
225.12758	5.7
225.16400	4.8
235.14755	10.2
241.19373	5.0
297.25510	5.1
337.20541	6.3
361.27560	5.7
375.26938	6.6
393.27667	14.1
393.35153	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05502	19.4
57.07060	11.7
59.04991	2.8
65.03922	1.9
67.05162	2.1
67.05498	32.5
69.03399	5.8
69.07063	18.7
69.35402	7.9
69.35823	10.5
71.04974	2.8
79.05484	35.5
80.35732	1.5
81.07049	58.0
83.04950	6.2
83.08598	7.8
85.06506	2.9
91.05475	46.9
93.07037	78.6
95.04962	55.1
95.08604	56.0
97.06530	11.1
98.98468	3.6
103.05445	5.4
105.07023	100.0
107.04984	2.0
107.08586	55.8
109.06527	15.8
109.10148	29.0
115.05408	5.5
117.07008	23.3
118.21612	1.8
119.08573	89.9
121.06499	20.4
121.10132	40.9
121.58816	1.6
123.08047	5.9
123.11713	10.4
128.06163	8.4
129.07016	14.9
130.07759	8.7
131.08565	39.6
133.06467	2.6
133.10126	54.9
135.08035	6.7
135.11691	22.7
137.09622	4.4
139.11200	2.1
141.06993	6.5
142.07776	22.9
143.08536	36.2
144.09341	11.4
145.06500	1.9
145.10106	67.6
146.10455	2.4
147.08022	3.1
147.11682	22.1
149.09599	5.2
149.13228	6.0
153.06908	2.8
154.07721	3.6
155.01018	6.3
155.08540	13.8
156.09297	12.7
157.10117	53.3
158.10812	6.2
159.08025	3.9
159.11676	43.3
160.12140	1.9
161.09613	18.6
161.13245	8.0
163.11134	4.2
165.07040	2.3
166.07742	3.0
167.08519	5.3
168.09273	4.0
169.10110	26.7
170.10846	7.8
171.11681	25.2
172.08882	2.8
172.12454	3.1
173.09596	5.8
173.13269	20.5
175.11180	11.0
175.14832	17.3
179.08490	5.2
180.09361	2.6
181.10107	11.8
182.10941	4.1
183.11670	16.3
184.12404	2.4
185.09721	2.6
185.13272	12.1
187.11224	12.4
187.14801	12.6
192.09277	2.4
193.10083	6.1
194.10887	6.1
195.11728	10.6
196.12447	4.0
197.13239	14.7
199.11111	3.3
199.14844	8.3
201.12685	5.1
201.16403	11.0
205.10136	2.4
206.10919	3.2
207.11699	6.2
209.13239	13.7
210.13925	2.2
211.10992	1.9
211.14745	11.1
213.16353	6.9
219.11588	2.6
219.17503	3.3
220.12549	2.7
221.13229	5.3
223.14787	7.9
225.16356	6.1
227.14316	2.8
235.14882	4.0
237.16264	5.4
239.14177	3.2
239.17995	3.2
241.19434	2.7
245.13211	1.8
253.15797	8.0
253.19455	2.3
265.19418	5.3
267.20920	2.4
277.19467	1.9
279.20956	2.2
283.20483	2.4
293.18799	2.2
297.22003	2.8
319.20416	2.4
375.26724	4.2
393.27808	12.4
393.35336	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	393.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74402	1.0
53.03921	1.3
53.26692	0.9
55.05502	8.1
57.07067	4.9
62.72916	1.0
64.68571	0.9
67.05498	15.1
69.06709	1.3
69.07056	15.0
69.67634	8.3
69.94224	1.1
71.08624	2.1
77.09341	1.1
79.05481	8.6
81.06564	2.3
81.07047	43.6
83.08608	10.3
87.09447	1.0
89.06010	1.2
91.05473	6.4
91.14779	1.0
93.07028	22.1
95.04925	1.5
95.08596	89.3
97.10159	6.3
105.07018	24.8
107.04977	1.1
107.08585	37.9
109.10143	37.7
111.11701	1.4
116.18610	1.1
117.07012	3.7
119.08568	26.7
121.10124	25.9
123.11681	19.7
123.83303	1.3
125.13245	1.7
127.48793	1.0
129.06990	1.8
131.08562	13.1
133.10117	14.2
135.11678	15.7
137.13252	20.5
143.08549	10.1
144.09377	1.2
145.10114	19.3
147.11670	15.1
149.13239	24.5
151.14763	2.9
156.65213	1.2
157.10062	5.9
159.11676	15.6
161.13251	9.2
163.14799	23.1
165.16406	1.3
169.09943	1.1
171.11633	6.3
173.13231	8.1
175.14807	12.5
177.16364	17.5
179.17891	1.3
185.13272	6.2
187.14792	19.5
189.16354	12.6
191.17918	6.3
195.12115	1.0
199.14777	6.0
201.16353	16.8
203.17934	17.3
205.19501	5.9
211.14772	1.1
213.16368	19.6
214.16983	1.6
215.17943	16.2
217.19536	8.8
219.21062	2.7
227.17941	6.5
229.19507	8.8
231.21069	3.5
241.19501	13.0
243.21062	9.7
245.22632	3.1
255.21057	19.1
255.23596	2.0
257.22577	5.1
269.22626	10.0
281.22650	1.8
283.24249	2.4
295.24051	1.2
297.25784	7.9
323.27271	3.2
393.35114	100.0
394.35379	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	393.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.2
56.60165	1.1
57.07058	2.7
57.14577	1.1
67.05496	7.4
69.07057	8.6
79.05484	4.7
81.07050	21.5
83.08611	4.5
84.89658	1.2
86.62692	1.1
91.05464	3.2
93.07021	10.0
95.08593	30.7
97.10157	3.1
105.07018	8.2
107.08572	13.4
109.10138	13.4
112.68666	1.4
117.07035	2.3
119.08576	11.3
121.10120	10.1
123.11680	9.4
129.06981	1.9
131.08571	4.4
133.10094	6.7
135.11684	4.9
137.13220	12.0
143.08554	4.6
145.10086	6.5
147.11748	6.2
149.13229	22.7
149.14363	2.0
157.10129	3.1
159.11690	5.9
161.13210	3.9
163.14793	14.2
171.11726	3.8
173.13248	6.0
175.14792	10.5
177.16367	13.7
185.13226	3.2
187.14729	7.4
189.16428	4.9
191.17929	2.6
199.14777	4.9
201.16399	5.0
203.17963	7.2
205.19438	1.6
213.16364	22.6
215.17931	16.6
217.19479	3.3
227.17892	5.8
229.19574	5.1
231.21056	4.1
241.19466	12.1
243.21083	9.7
255.21072	17.1
257.22513	2.0
269.22681	6.8
313.89459	1.6
323.27347	2.1
352.90866	1.3
393.35114	100.0
394.35458	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	394.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47635	1.2
56.05024	2.8
56.96563	3.2
57.03430	2.2
61.02915	3.0
69.03422	6.8
70.06605	1.4
71.04980	1.8
71.09813	1.9
72.08140	1.1
73.02876	1.1
74.06071	1.4
79.05490	4.3
81.03414	1.3
83.30919	1.1
84.04515	9.5
84.07619	2.3
84.08135	41.6
85.02892	17.2
86.09719	2.2
89.03889	2.9
90.12218	1.0
91.05470	16.3
95.04932	1.4
97.02883	5.9
98.97573	5.4
99.04478	1.4
102.09184	3.7
107.04946	8.4
109.02868	2.7
115.03951	1.4
116.98611	4.8
117.03368	3.0
119.04926	41.1
121.06512	4.9
123.04523	1.6
127.03883	7.3
129.05424	1.6
133.02795	1.3
134.99672	3.4
135.04413	13.5
137.05960	37.9
139.03925	1.4
141.13869	2.2
145.02841	4.1
145.04912	5.7
146.99696	3.3
147.04395	72.9
148.04726	2.7
149.05940	7.3
151.03993	1.4
151.07492	7.7
157.06273	1.4
158.99702	1.4
161.01169	2.0
161.02785	1.3
162.04099	6.4
163.03896	22.3
163.07536	2.9
165.05438	1.6
167.07031	26.1
169.13290	2.6
177.00740	2.3
177.05498	3.3
179.07016	100.0
180.07373	2.4
191.07025	4.5
197.08058	3.2
219.01782	2.0
221.03093	1.8
229.08636	1.2
233.02629	1.5
237.02782	4.3
239.02304	1.2
241.03720	1.3
252.97942	3.9
255.01996	1.3
263.08908	4.6
275.09128	2.2
276.97775	1.8
281.03241	1.4
302.17105	3.6
311.11227	9.5
330.20166	13.7
333.36853	1.2
343.79407	1.2
394.15256	1.9
394.19977	8.8
394.34644	1.8
415.09253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.8
55.05503	3.4
60.88460	1.2
67.05511	2.2
69.03422	3.4
69.07048	1.6
69.80287	3.6
69.80701	4.5
70.06588	3.1
72.08146	2.9
79.05471	3.2
81.03410	3.4
81.07043	12.0
83.04961	1.3
84.04488	1.9
84.08108	2.7
85.02888	5.5
85.68213	1.3
86.09695	4.0
91.05460	3.7
93.07030	2.2
95.04955	2.7
97.02867	2.3
97.06526	2.0
99.04424	3.4
105.03352	1.9
105.06991	3.9
107.08583	2.1
109.06516	8.3
109.10130	2.0
113.38342	1.4
117.06995	1.9
119.04896	1.6
121.10105	1.5
123.04430	4.4
123.08045	1.2
123.11671	1.2
125.05983	17.9
127.03893	6.8
133.10121	5.3
136.07571	2.5
137.05966	100.0
139.07503	2.2
141.05452	4.3
143.08577	1.5
147.04384	3.3
151.03920	1.2
151.11124	1.4
153.01767	1.3
161.09593	4.6
165.05444	3.2
165.12746	1.2
179.10669	43.4
183.06496	4.2
197.08116	6.5
197.11713	87.4
198.12112	2.6
215.09093	2.3
215.12781	1.9
216.08868	4.0
217.09013	5.7
233.58041	1.3
240.08676	1.5
241.09154	3.5
243.02820	3.7
245.04419	1.7
301.11224	4.6
376.14438	1.4
394.15314	3.8
394.19580	2.7
394.34622	1.9
395.13214	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	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66042	0.5
55.01840	3.2
55.05503	1.2
56.26747	0.6
69.03426	1.2
70.86128	1.2
70.86492	1.4
77.24680	0.6
79.05492	1.6
81.07050	10.6
82.35658	0.6
84.04460	0.5
85.02883	2.6
85.21071	0.6
89.84249	0.5
91.05479	1.0
93.06999	1.0
97.02898	0.8
98.21109	0.8
99.04426	0.7
105.07008	1.8
107.08588	1.4
109.06507	6.5
109.10154	1.6
115.03850	0.6
119.08543	1.7
120.08128	0.9
120.35201	0.5
121.06490	1.0
123.04420	0.6
125.05984	6.0
127.03896	2.5
133.10101	2.9
135.08078	0.7
137.05962	100.0
137.09521	3.8
138.06296	2.0
143.08588	1.6
147.04375	1.0
151.11122	0.8
159.90977	0.6
161.09612	5.7
176.44203	0.6
179.10654	50.5
180.10936	1.2
197.11714	77.1
198.12115	1.5
215.12817	0.8
243.02786	0.7
316.09891	0.9
372.78281	0.6
376.12152	2.7
394.19540	0.8
394.34406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0859
Annotation	FL 120B'
Peak:m/z	Relative Intensity
56.96561	22.2
60.53794	1.4
68.96580	1.2
69.03411	3.8
70.07782	6.6
73.02919	1.6
74.18758	1.1
83.05007	1.6
84.96046	6.0
85.02909	3.2
97.02871	3.1
97.96808	2.4
98.20772	1.3
98.97576	80.0
101.48197	1.5
108.27381	1.3
110.97556	11.8
112.99139	4.1
116.98613	51.1
119.01920	2.2
124.99151	2.4
127.03920	2.1
128.98592	26.8
131.00165	8.2
131.01859	1.8
133.03479	2.0
134.99646	20.1
140.00182	2.1
140.98602	2.0
143.00160	14.2
143.01927	1.9
145.01683	2.3
145.03442	1.8
146.99660	17.4
149.01242	6.6
153.00642	2.0
155.00146	4.1
155.01884	1.8
155.39622	1.3
157.03461	2.0
158.99640	22.9
159.05016	2.1
161.01215	19.4
161.02623	1.7
163.02820	1.9
163.04208	1.9
165.00697	3.0
170.99661	4.0
171.05000	1.9
173.01228	6.8
173.02690	2.3
174.99112	1.5
175.02840	1.8
177.00711	34.6
177.04239	1.4
179.02242	6.1
183.05003	1.4
185.01201	17.7
189.00677	9.7
191.02272	5.0
191.05872	1.5
193.00220	2.7
195.01720	3.2
197.01205	2.2
198.03778	1.3
201.00754	5.4
203.02271	15.6
205.03838	2.1
207.01718	2.8
215.02237	11.9
217.03864	2.1
219.01744	51.4
221.05081	4.4
223.04869	1.6
227.02188	1.6
233.03389	7.7
237.02803	100.0
239.02188	1.9
245.03311	8.4
255.03954	9.1
257.03271	3.6
260.04401	2.2
260.23053	1.3
261.02820	3.6
265.07874	1.8
275.04248	11.8
279.03891	7.8
279.09433	1.8
291.09177	1.4
293.05350	18.9
295.06915	3.5
299.04443	1.7
305.05429	3.8
307.06949	3.5
309.04855	1.4
317.05386	10.0
323.06317	1.7
335.06454	66.1
336.07065	1.8
353.07510	39.2
353.11880	2.2
358.07980	2.3
377.07938	1.7
395.08594	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	395.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96311	3.0
56.96561	25.5
57.03414	2.6
59.91817	2.1
69.03415	5.3
71.30064	3.7
84.08092	2.5
84.96020	9.2
85.02920	12.5
88.90556	2.0
97.02878	5.1
98.97572	89.4
101.00882	4.8
103.02441	8.1
109.02857	2.9
110.97561	13.5
112.99082	2.8
115.02431	3.6
116.98618	53.0
118.00311	2.2
119.01909	19.3
121.03486	5.8
124.99114	2.5
127.00710	2.6
127.03930	4.2
128.98576	26.4
131.00163	7.0
131.01892	16.5
133.01675	3.4
133.03491	17.1
134.99648	17.0
137.02939	5.3
143.00101	13.7
143.01837	10.1
145.01698	3.6
145.03464	16.9
146.99590	16.6
147.01413	4.3
148.01349	2.2
149.01199	5.6
149.02954	9.6
151.04503	7.4
153.00645	2.3
155.01918	11.4
157.03458	7.6
158.99651	28.0
159.05042	6.5
161.00107	3.1
161.01265	15.4
161.02951	19.1
163.02690	5.5
163.04016	4.0
165.00722	8.9
166.07248	5.4
169.03439	4.6
170.99611	8.7
171.01366	3.7
171.05016	9.0
173.01416	3.2
173.02943	24.3
174.99100	12.9
175.02957	3.5
175.04500	12.6
177.00728	37.3
177.02271	2.4
177.04015	2.3
179.02264	2.5
181.03352	2.3
182.00745	3.0
185.01224	15.6
185.02962	9.9
187.02977	2.8
187.04462	10.6
188.97008	2.8
189.00720	13.1
189.02333	5.0
189.04303	2.1
189.06023	5.7
191.00644	2.3
191.02301	5.2
191.04005	6.0
191.05807	2.5
193.00174	19.0
195.01711	5.1
196.04703	2.6
197.01216	3.9
197.02927	5.4
199.00885	8.5
199.04503	4.1
201.00679	6.4
201.02386	4.3
201.06029	5.8
202.98686	3.2
203.02246	16.3
203.04042	15.2
205.00174	4.9
205.02002	3.0
205.03687	4.7
207.01773	7.2
209.03101	2.7
211.04593	5.4
213.02365	4.2
215.02229	9.6
215.04022	5.2
217.00095	2.7
217.01944	9.9
217.05615	5.3
219.01759	52.9
220.99666	3.2
221.03085	4.8
221.05055	11.6
223.01102	3.9
223.04764	3.7
224.01830	3.5
229.00189	2.8
231.03485	9.2
233.03151	7.2
237.02800	100.0
239.06212	2.9
242.99889	9.1
244.11354	2.1
244.99596	2.7
245.02921	2.9
245.03432	1.8
245.05141	13.8
247.01176	2.7
247.06769	4.6
255.04012	11.3
257.01318	3.7
260.04230	2.8
261.02768	6.0
261.08368	4.1
263.06189	4.0
265.07675	12.4
275.06165	6.4
279.03879	11.7
279.09235	8.0
281.05371	3.8
287.02408	6.6
289.06186	3.6
293.05350	11.8
295.08929	3.5
303.02130	24.7
305.07056	2.7
307.03662	3.1
307.06839	11.3
317.05481	7.4
321.01208	2.8
335.06421	49.1
335.10367	2.7
353.07489	52.7
358.07898	3.1
363.03714	3.6
371.08423	6.5
395.09363	23.0
395.14285	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	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
55.92504	0.4
56.96552	0.4
58.16169	0.4
65.32484	0.4
69.03419	0.5
71.63396	0.6
85.02872	1.2
91.05460	1.9
92.05779	0.4
96.50600	0.4
97.02876	0.4
98.97479	0.4
101.00993	0.3
116.98591	0.5
123.04420	0.7
147.04404	0.7
151.66464	0.4
152.07938	0.5
163.03894	1.5
164.04201	0.7
177.05440	0.6
185.04225	2.9
192.84102	0.4
217.04712	1.6
232.07045	11.0
233.07797	6.8
237.02907	0.7
364.11139	1.4
365.12109	0.8
395.13089	100.0
396.13458	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.5
55.05513	3.5
56.96562	4.3
57.03431	2.3
57.14908	1.4
61.02917	2.5
69.03412	5.7
70.02941	1.7
70.06589	2.3
71.08621	3.0
71.63260	3.3
72.04515	7.2
79.05471	3.7
81.03413	4.1
81.07048	8.7
83.08606	3.8
85.02891	15.3
89.03879	1.7
90.05546	56.9
91.05476	9.7
97.02900	4.4
97.06493	2.1
98.02421	5.1
98.97573	1.9
99.04443	2.9
99.08072	4.2
101.09705	1.7
107.04919	2.0
109.06524	10.5
116.03414	8.0
116.98621	1.8
117.09140	1.8
119.04927	19.4
123.04400	3.7
124.37413	1.4
127.03911	3.8
138.09131	10.3
145.04953	4.5
146.06056	1.7
147.04398	62.3
148.04733	2.1
156.10226	3.2
163.03979	2.5
198.11241	17.3
216.12312	13.8
218.97430	3.2
234.13345	100.0
235.13493	1.6
236.98457	2.5
243.37508	1.7
252.97719	2.3
253.98717	1.7
257.03305	1.7
260.98434	6.0
276.97836	3.0
280.16821	1.5
318.98996	3.6
336.05768	1.5
337.00073	3.0
396.16278	1.9
397.11279	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.1
55.05511	19.8
56.96560	77.4
57.03439	11.3
58.07212	3.8
61.02924	39.9
67.05164	4.5
67.05501	61.1
68.86372	3.8
69.03425	14.8
69.07069	35.8
71.01343	4.5
71.95265	5.3
73.02908	17.9
79.05482	60.8
81.03416	17.2
81.07051	53.4
83.04977	12.7
83.08622	18.7
85.02912	35.0
85.06551	6.0
91.03947	24.6
91.05466	51.3
93.07027	71.2
95.04972	24.5
95.08591	58.0
96.08943	7.2
97.02881	30.9
97.06507	7.0
97.10161	7.0
98.97585	7.3
99.04445	7.7
101.02403	9.6
103.03986	7.1
105.07034	38.8
107.04974	8.4
107.08577	43.4
108.08902	4.4
109.02858	12.7
109.06485	5.7
109.10136	46.8
110.10493	10.0
111.11736	6.4
116.98623	5.9
117.07022	11.5
119.08554	30.1
121.06510	5.1
121.10142	29.1
122.10497	4.9
123.08134	5.6
123.11729	11.4
127.03930	13.8
128.98622	5.4
129.06990	12.8
131.08546	4.6
133.10146	17.9
134.99644	7.5
135.11681	30.8
136.12048	10.1
137.13246	5.6
143.01863	5.3
143.08575	5.9
145.04965	6.3
145.10147	16.0
146.99657	7.5
147.11681	39.8
148.12109	4.0
149.01231	4.7
149.13239	15.3
155.03810	6.5
159.11662	8.5
161.13263	13.3
167.03812	6.5
171.03253	22.2
171.11705	30.3
177.16362	9.7
183.03357	5.0
183.06670	7.4
184.07326	4.3
185.04787	6.6
189.04359	15.6
189.12779	10.9
189.16335	8.8
190.16693	4.6
191.17903	28.8
192.18297	18.7
195.13812	8.2
199.06476	16.7
203.05916	19.4
205.19382	22.3
206.19931	12.5
207.13780	42.5
215.05859	4.6
216.96150	4.2
217.07521	30.4
221.08650	5.3
225.08026	11.2
231.09106	16.8
235.10130	4.7
241.09058	6.5
243.08992	10.1
249.07973	4.8
251.09613	11.3
255.09085	29.7
255.15932	5.8
263.09592	18.6
267.09021	28.6
269.10587	74.1
269.17517	11.5
271.31631	4.6
273.09952	21.3
278.10635	6.2
281.10623	100.0
281.17413	53.5
282.11038	11.2
282.18005	8.5
284.12759	13.3
285.10034	58.3
287.11664	34.9
290.10620	4.7
292.12137	22.1
299.11639	94.1
299.27438	8.4
300.12048	11.6
300.27554	5.5
303.11206	12.4
304.12186	31.0
308.11737	10.7
312.27579	6.4
315.17307	7.2
322.13110	11.5
331.15845	12.3
340.15750	5.5
347.16086	22.4
349.16882	51.6
367.17798	50.7
368.18054	7.5
372.18549	9.6
385.18921	7.7
389.20035	4.5
390.19516	24.2
396.20013	10.1
396.37137	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	396.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
57.07069	27.3
59.04977	2.6
59.07077	2.2
63.81746	1.9
65.07059	2.1
69.07063	3.0
69.79540	2.2
71.08626	29.1
71.62769	2.8
71.63114	2.8
73.06537	4.8
81.07040	5.4
83.08625	4.1
85.10175	26.9
89.06022	100.0
91.05466	4.5
93.07014	3.2
95.08609	2.7
97.06634	2.3
97.91404	2.2
99.11725	3.2
105.06991	3.1
107.07052	4.1
107.08593	2.8
109.10102	2.6
117.09157	3.1
130.08614	4.2
133.08591	44.0
135.11717	2.7
141.16374	4.5
151.09608	4.2
177.11215	11.9
184.07306	2.9
185.19040	3.5
188.46846	2.7
195.12306	3.3
229.21605	10.1
239.14886	32.6
302.57999	2.1
328.91708	2.5
379.30508	52.6
396.29636	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	397.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83414	1.1
56.96562	36.8
57.03429	2.1
57.38329	0.9
61.02923	1.3
69.03416	2.6
69.07064	1.4
70.06571	3.6
71.01344	1.0
71.59982	1.7
72.08141	1.5
73.02887	1.5
77.00899	1.7
79.05475	1.8
81.03421	1.5
84.08137	1.5
84.96020	3.1
85.02887	6.7
86.09694	6.9
89.03893	8.4
91.05486	1.8
95.04967	1.5
97.02874	3.5
98.97569	13.2
107.04939	3.9
109.02903	1.6
116.98605	16.7
117.03359	11.6
119.01929	7.5
119.04939	3.0
123.04428	1.5
125.81076	1.0
127.03902	2.9
128.98575	3.0
131.00185	3.7
131.01877	1.4
133.01718	1.2
134.99640	15.5
135.04401	25.4
136.04764	1.3
137.02919	2.4
145.02814	18.0
145.04846	1.1
146.99603	4.4
147.04372	11.5
148.04761	2.5
149.01210	5.4
150.99127	1.7
152.04604	1.4
153.00699	3.6
156.98053	1.2
158.01213	1.5
158.99684	3.7
161.01276	1.3
161.02850	3.2
163.03889	99.8
164.04289	3.4
165.00661	1.6
173.01193	1.4
173.02907	2.9
174.99120	2.3
175.00650	1.8
177.00714	8.2
177.02252	2.1
177.05460	1.6
179.02180	1.4
185.01277	1.6
186.99042	1.7
189.00681	2.2
190.95370	2.1
191.00296	1.5
191.02196	2.3
191.03903	1.8
193.00157	6.8
193.01712	4.9
193.03442	1.5
197.01245	1.5
199.04530	1.5
199.10419	1.2
200.98628	3.4
201.00635	1.7
203.02336	1.6
205.01822	2.5
206.98073	1.6
207.01697	2.5
209.01250	8.1
211.01102	1.6
211.02757	8.6
211.04726	2.2
213.00677	1.4
213.12323	1.6
215.02174	1.2
217.01981	1.4
218.99634	9.7
219.01765	3.5
221.01152	2.5
221.03137	1.6
221.05019	2.0
223.02846	7.5
225.00677	2.3
225.04303	3.7
227.02257	3.6
229.03758	5.4
233.01239	2.4
235.01151	2.7
237.00674	100.0
237.02711	6.4
238.00996	2.4
239.02313	2.5
249.06349	1.2
251.02254	5.0
251.04623	1.9
255.01736	80.9
256.02139	1.8
258.77283	1.1
260.02261	7.4
261.00491	1.4
265.05695	1.9
265.08182	1.4
269.03314	6.8
272.06644	1.6
273.02808	72.6
274.03156	3.1
275.02362	1.2
277.00000	8.7
278.03357	4.3
278.11176	1.5
279.01645	9.5
279.09464	1.2
287.04318	4.8
291.03876	2.4
293.03244	3.3
294.05801	1.4
295.01227	25.0
295.06622	1.3
296.04395	3.2
297.02728	19.5
305.03470	2.0
311.04312	8.0
313.02237	16.2
315.03751	8.0
318.02838	3.8
323.04422	1.6
331.03418	1.9
334.14612	1.4
337.02139	9.6
337.08060	3.5
351.17807	1.2
355.03406	8.6
355.08817	3.9
373.04279	3.7
373.09207	1.6
378.05392	1.5
397.04816	2.1
397.10248	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	397.1466
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
54.62435	0.3
58.50093	0.3
58.98100	0.3
70.06569	0.9
70.32339	1.1
71.04987	0.5
81.07040	0.3
83.04953	0.3
85.02892	0.6
86.03278	0.3
86.09682	0.6
91.05470	0.4
93.07047	0.4
97.02868	0.4
98.20872	0.3
100.11257	0.6
107.04944	0.5
107.08585	0.4
109.06482	0.3
109.10143	0.4
116.07112	0.4
120.08041	0.3
123.04418	0.8
127.03872	0.3
131.05023	0.4
138.94817	0.3
139.03883	1.1
147.04402	0.6
163.03888	0.4
235.09341	0.4
237.30757	0.3
337.11349	0.5
397.14655	100.0
398.14978	5.7
403.25967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1644
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
50.13112	1.0
51.02370	1.1
53.03933	1.2
53.61552	0.9
55.01857	2.2
55.05503	2.3
56.96555	1.4
57.03429	1.7
67.05488	1.9
67.97044	0.9
69.03405	4.0
69.07056	2.5
70.06574	2.6
71.04992	3.0
71.61715	1.2
79.05484	2.9
81.03403	3.1
81.07048	4.4
81.25270	1.0
83.04959	2.3
84.08157	1.2
85.02906	9.3
86.09695	5.6
89.03841	1.5
89.79977	1.2
91.05486	9.4
93.07025	4.8
93.36135	1.1
93.36755	1.1
94.04162	1.1
95.04994	1.9
95.08591	2.9
97.02862	1.6
97.06457	1.5
98.97581	1.9
99.08108	2.9
103.05443	2.7
105.07027	4.9
107.04989	1.0
107.08578	4.0
109.02856	1.7
109.06488	2.3
109.10131	2.1
111.04397	2.0
111.08109	2.0
115.05447	2.9
116.07021	1.8
116.98579	1.6
117.03359	1.1
117.06979	2.4
119.04939	5.9
119.08591	2.0
121.06491	1.3
121.10133	1.7
122.03625	5.8
123.08074	1.7
123.11673	1.0
125.05991	1.4
127.03849	1.8
128.06207	3.0
129.05489	2.8
129.06985	6.2
131.04895	2.6
131.08548	6.4
133.06561	1.6
133.10147	2.2
135.08084	1.2
135.11653	1.3
137.05962	82.3
137.09581	2.3
138.06322	1.4
141.07004	3.7
142.07814	2.0
143.08487	2.8
144.05701	2.0
145.05038	1.6
145.06487	3.7
145.10016	1.7
147.04382	5.4
149.05971	4.9
151.07533	11.0
153.06915	2.0
155.08540	3.9
157.06494	3.0
157.10165	2.6
158.07243	3.2
159.08025	5.8
159.11723	2.5
161.05986	12.8
161.09627	3.2
163.03876	1.1
163.07538	1.7
165.05721	1.1
165.07039	4.1
167.08539	2.7
168.05637	1.3
169.06487	2.9
170.07358	1.6
171.08020	3.1
171.38226	1.1
172.08792	3.0
173.09691	2.1
174.06828	1.8
175.07513	4.4
177.09012	1.4
178.53688	1.0
181.06462	3.1
182.07216	6.1
183.08055	3.6
184.08861	3.1
185.06004	2.1
185.09552	7.7
186.06699	1.9
187.07550	6.1
187.11148	1.6
189.09016	2.8
189.12787	2.2
191.07101	5.0
193.06671	1.3
194.07083	2.1
195.08028	2.1
196.08977	1.0
197.05949	2.6
197.09616	9.1
198.06708	13.5
199.07504	7.7
199.11296	1.2
200.08263	3.2
201.09109	5.3
202.07738	1.4
205.08580	2.2
209.09599	1.3
210.06696	2.8
211.07484	2.6
212.08273	4.4
213.09068	20.5
213.10933	1.6
215.06853	1.7
215.10616	5.6
217.08507	1.5
217.10339	1.5
217.15839	4.7
224.08247	1.7
225.09102	12.4
229.08504	1.9
231.08014	3.0
231.10114	1.4
232.08841	1.1
233.09476	1.8
235.16748	1.6
237.09113	1.5
243.07991	1.7
243.10149	17.7
245.09564	2.1
245.11804	2.1
247.11143	1.3
249.09016	1.8
251.10757	1.2
255.10178	6.2
257.09570	2.6
259.07724	1.3
260.08258	2.1
261.09045	4.4
262.06268	1.5
262.09799	2.0
264.07953	1.6
265.08646	2.7
271.07394	1.4
273.11221	59.9
275.07529	1.4
275.10623	4.8
276.07791	4.1
276.11163	1.3
277.08597	3.8
277.12170	1.5
278.09244	2.5
280.38071	1.2
281.08185	1.2
285.08978	1.6
286.10013	1.4
287.06973	1.7
287.10788	1.4
288.07886	1.5
289.08688	3.0
289.12183	2.8
290.09247	2.1
291.10025	5.5
292.07275	1.9
292.10794	1.7
293.08191	2.6
293.11682	3.6
301.08551	2.6
301.12051	1.6
302.09250	1.5
303.10077	4.8
304.11279	1.5
305.08270	1.3
305.11655	4.4
306.08875	1.9
307.09680	10.3
307.12982	2.2
308.10309	5.6
309.11154	1.8
317.11758	4.8
318.08823	1.9
318.12286	2.2
319.09628	3.3
319.13055	2.2
320.10498	2.2
321.11206	6.9
322.11905	1.3
325.10754	2.5
327.32254	1.2
329.11530	1.3
331.09460	1.9
333.11163	3.0
334.11975	1.7
335.12640	6.4
336.13382	3.1
337.14114	1.7
339.12286	3.0
347.12555	2.3
348.13312	1.5
349.14212	7.7
351.12265	12.4
353.13824	4.9
354.14563	19.8
355.15201	1.3
361.14380	2.5
364.13019	1.9
365.13788	1.8
366.14450	2.0
367.15277	6.8
379.15308	13.5
397.16434	100.0
398.16711	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2217
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
50.90482	0.7
51.08691	0.7
53.03921	1.9
55.01837	1.4
55.05504	4.0
57.03401	1.2
57.07066	1.1
61.02902	1.9
67.05489	5.0
68.99760	1.3
69.03425	9.0
69.07037	3.2
71.04951	1.9
71.63468	1.0
75.10872	0.7
79.05499	4.4
81.03407	5.8
81.07052	7.3
83.04971	8.4
83.08567	2.9
85.02896	12.9
85.06535	1.5
87.04440	1.3
91.05040	0.7
91.05468	6.8
93.07034	9.5
95.04931	3.1
95.08596	5.3
97.02876	5.8
97.06521	3.5
97.10146	0.9
99.04408	2.7
100.11232	1.7
103.05398	1.3
105.07018	10.9
107.04932	1.5
107.08588	11.3
109.02869	6.3
109.06499	3.8
109.10171	3.9
111.08060	2.7
114.09137	1.3
115.05489	1.0
116.98581	0.9
117.07000	1.4
119.04897	0.9
119.08569	8.3
121.06495	6.0
121.09440	0.8
121.10133	10.5
123.04424	1.8
123.08080	3.6
123.11626	1.3
125.05992	1.2
125.09561	2.5
127.03899	5.9
128.06120	0.8
129.06975	1.9
131.08533	3.6
133.06454	2.4
133.10107	14.0
135.04361	1.0
135.08005	3.5
135.11668	1.8
137.02290	1.1
137.05960	3.6
137.09587	2.5
139.03929	1.0
142.07687	1.2
143.08537	3.2
145.04933	1.9
145.06277	0.9
145.10086	2.7
147.04427	1.6
147.08006	6.1
147.10759	0.7
147.11684	7.0
147.14302	0.7
149.09595	10.6
149.13167	2.9
151.07529	1.2
151.11171	3.7
153.01810	11.4
157.10094	2.7
159.04375	1.0
159.07957	1.3
159.11606	2.6
161.05907	1.8
161.09587	4.7
161.13213	2.7
163.03827	1.0
163.11124	2.0
165.06975	0.8
165.09111	0.8
165.12744	1.3
169.10092	0.8
171.11742	2.3
173.09589	0.9
173.13213	2.6
175.04013	0.8
175.07442	1.7
175.11145	4.2
175.14764	3.9
177.12636	1.0
179.03374	1.3
179.07027	1.9
183.11671	0.9
184.12354	0.9
187.03877	2.5
189.12691	3.0
189.16278	1.6
191.14275	8.3
193.12169	2.8
199.14795	1.8
203.03398	1.0
207.02876	1.1
213.09111	1.5
215.03386	2.8
217.04884	1.6
217.12260	3.8
217.15811	7.1
221.05957	1.3
229.05200	0.9
235.13501	5.8
235.16895	100.0
236.17194	3.1
243.02765	1.6
249.05539	0.9
253.04861	1.3
253.14377	1.3
267.06488	3.3
271.02426	1.6
273.11145	2.0
277.04926	2.3
295.06015	7.8
296.06421	0.9
305.04449	3.4
313.64410	0.7
322.04642	1.0
323.05447	8.9
324.05832	1.8
326.04117	0.9
333.03967	1.0
351.04953	14.0
352.05344	2.3
353.66913	0.8
354.14456	1.1
369.06064	6.2
379.04501	10.7
379.15366	1.3
397.05481	47.3
397.16949	5.7
397.21982	13.5
397.31326	0.7
398.05865	6.9
402.54077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99274	2.2
55.05509	13.8
55.09863	1.8
57.07072	19.6
59.06104	1.9
67.05495	22.5
69.06730	2.3
69.07067	31.5
70.71879	7.0
71.08630	19.1
77.10635	2.0
79.05486	13.2
81.07050	60.0
83.06103	2.7
83.08612	15.5
85.10165	11.4
86.21997	1.9
91.05482	15.3
93.07040	20.9
95.08604	56.3
97.10155	12.0
105.07026	29.5
107.08585	27.9
109.10146	39.4
110.07127	4.6
111.11678	10.7
119.08553	26.1
119.24895	2.0
121.10130	23.2
123.11694	14.9
125.13284	3.0
131.08516	5.3
131.13213	2.0
133.10126	26.7
135.11679	35.8
137.13237	5.3
145.10135	2.1
147.11679	53.5
148.08667	2.2
149.13255	14.9
159.11708	6.3
161.13239	45.9
163.14824	7.0
165.16319	2.5
168.66440	2.0
173.13223	4.2
175.14833	17.8
177.16455	2.5
187.14822	5.0
188.83203	2.1
189.16362	7.8
201.16350	6.1
203.17931	9.5
211.35153	2.2
212.74741	2.1
215.18001	9.7
217.19513	4.1
229.19524	5.8
243.21072	6.4
257.22696	8.5
261.25641	3.5
275.27304	3.2
287.27356	4.8
304.93301	2.4
315.30399	2.8
397.38257	100.0
398.38739	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	398.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	6.1
56.96551	6.2
58.56800	2.4
65.03924	7.2
66.44743	2.9
67.05491	8.9
67.29703	2.3
67.97424	3.0
68.99794	2.7
69.03414	3.7
70.06579	4.7
71.62843	3.9
72.08123	3.7
75.38338	2.3
79.05473	6.0
83.04983	19.3
84.04489	23.9
84.08134	2.4
85.02884	11.4
86.09682	3.1
91.05470	20.1
93.03388	5.0
95.04955	28.9
97.02873	7.3
103.68276	2.6
105.06994	5.4
106.76004	3.0
107.04945	70.2
109.02890	3.0
111.04459	25.2
116.98669	2.9
117.06976	4.8
118.06503	2.7
119.04918	31.4
121.02851	4.9
122.06021	2.5
123.04424	5.7
129.05452	13.6
130.66354	2.3
132.08096	13.3
133.06459	8.6
134.05963	4.1
135.04407	12.5
136.07617	3.5
139.03894	17.6
143.04913	4.2
144.04460	4.0
145.02824	5.4
145.06421	12.2
146.05977	11.5
147.04396	100.0
147.06693	3.2
148.04706	6.6
148.07565	9.3
148.33459	3.0
149.08379	13.0
150.09111	5.5
152.07040	4.4
157.04932	11.4
160.07571	36.6
161.05960	17.5
162.05446	4.5
162.09102	10.5
163.03888	28.8
163.07515	5.5
164.04378	2.9
164.07068	3.9
171.04340	4.1
175.06107	3.4
177.05388	3.8
178.08565	16.1
180.08748	2.6
183.02907	2.5
188.07066	61.5
189.05528	9.5
201.11266	4.3
206.08099	50.2
224.09134	13.2
236.09091	4.4
237.02847	4.0
276.10660	3.3
283.08548	3.2
295.08478	2.8
309.09705	7.1
337.09235	14.4
380.13361	20.1
398.14752	41.1
399.10638	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06844	1.4
53.03926	2.4
55.05493	2.0
56.05005	1.4
56.96547	1.5
61.02932	2.3
62.85777	1.7
69.03423	12.8
69.60311	6.7
69.60730	5.3
70.06581	5.9
71.05002	3.3
72.08137	1.6
76.28375	1.6
81.03416	13.1
81.07040	2.2
81.40512	1.4
83.12852	1.3
85.02893	75.4
86.09683	1.6
91.05479	6.9
93.88689	1.6
95.08604	1.7
97.02892	19.1
99.04447	37.9
99.08085	2.6
100.11234	3.1
103.03931	94.2
105.07034	2.7
105.62634	1.7
107.08620	2.1
109.02871	14.9
119.08581	1.6
127.03900	100.0
130.56604	1.5
131.88461	1.5
133.10136	2.9
137.05904	2.3
138.09901	1.8
145.04941	51.0
147.04370	3.4
147.11713	2.2
163.03951	2.6
163.06004	66.4
168.69588	1.5
187.06015	4.5
194.99216	1.5
199.78004	1.4
205.07068	2.8
236.09163	2.5
237.11028	2.3
271.08121	5.8
274.11710	1.9
289.09122	5.7
307.10123	13.9
393.01434	10.1
398.16995	5.6
398.32599	3.0
399.16068	5.8
411.01971	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01875	1.7
57.03429	2.1
57.59395	1.5
61.02902	3.1
67.12868	1.4
69.03419	11.9
69.76435	4.8
69.76866	4.3
70.06583	2.3
71.04974	4.2
73.02905	3.4
81.03410	12.8
85.02895	68.9
86.09688	1.7
87.04444	2.1
93.07049	1.4
93.89275	1.4
97.02880	23.7
99.04439	36.9
100.22357	1.2
103.03929	99.6
106.55095	1.2
109.02865	16.8
115.03934	1.9
127.03901	100.0
128.04196	2.2
145.04947	64.2
147.04375	1.7
163.06000	66.2
164.06293	1.4
165.18369	1.2
187.05986	5.9
201.63103	1.3
205.06996	4.1
205.08783	1.4
222.72890	1.2
271.08112	8.3
273.63254	1.3
289.09103	5.9
307.10175	14.3
332.23535	1.3
363.16495	3.3
392.99112	1.6
399.15570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77180	2.7
56.96549	6.3
57.03432	19.3
59.04978	5.0
59.61804	2.6
60.04494	3.3
61.02915	5.6
61.24669	2.8
67.05505	2.9
69.03422	66.8
69.07060	37.7
69.43159	5.7
69.43499	29.6
70.06580	13.7
71.04978	5.6
72.08118	6.0
73.02899	12.6
75.04475	4.6
79.05481	5.2
81.03416	10.9
81.07061	7.2
83.04974	3.3
84.08134	4.2
85.02895	100.0
85.06543	3.2
86.09688	6.2
87.04456	54.1
90.00574	3.2
91.03960	3.7
91.05473	22.2
93.07011	5.4
95.04983	4.3
95.08585	6.2
96.04446	3.4
97.02878	82.1
97.06525	3.2
98.09634	4.1
98.97569	7.3
99.04432	5.6
99.08128	2.8
100.37537	3.3
101.68407	3.2
102.05486	3.3
103.03925	3.9
103.05443	5.8
105.07008	7.9
106.98389	2.7
107.04955	7.4
107.08569	5.1
109.02848	6.2
109.06548	4.4
109.10123	3.7
111.08046	14.6
115.03905	83.0
116.98616	7.6
117.03371	4.2
119.04899	4.2
123.04394	5.1
127.03915	18.5
131.04900	14.1
133.04941	96.7
134.99673	3.4
135.04459	4.1
135.08015	7.2
137.05962	5.9
137.09619	3.3
145.02818	5.0
145.04936	37.2
147.04396	19.6
147.08037	3.6
150.07603	15.3
161.05986	4.8
163.03876	10.2
163.06006	19.4
163.07407	4.5
165.09116	3.3
167.07071	5.2
169.05028	3.6
175.07556	4.7
177.05545	5.9
192.10208	3.1
201.11191	9.2
213.11217	3.6
231.12245	4.7
236.09148	7.1
237.02823	5.5
237.14886	4.7
241.07152	3.9
259.08087	8.4
277.09055	4.0
295.10208	8.1
398.14435	6.7
399.16159	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01867	3.6
56.96547	4.1
57.03428	25.2
59.04984	4.3
59.24075	2.8
60.04524	2.7
61.02925	10.9
62.30369	2.2
65.97598	2.3
67.05482	5.6
69.03066	5.3
69.03424	84.2
69.07059	38.2
70.06586	7.2
71.04984	7.4
71.61105	3.2
71.61481	2.9
72.08128	4.0
73.02909	13.1
79.05492	3.9
81.03415	10.3
81.07041	6.8
83.04966	4.4
83.08608	3.0
83.67685	2.2
85.02896	96.8
85.06532	3.9
86.09710	8.3
87.04461	49.0
91.03944	4.9
91.05470	19.5
93.07041	6.7
95.04976	4.1
95.08624	3.2
97.02884	68.2
97.06529	4.5
97.74026	2.6
98.09698	4.4
98.21168	2.9
98.97624	2.9
99.04440	5.2
100.40547	2.6
103.05460	3.1
105.07015	6.3
107.04939	6.1
107.08588	4.5
109.02895	6.9
109.06506	4.1
111.04417	3.6
111.08082	17.0
115.03925	83.3
119.08595	4.5
121.20010	2.6
123.04411	5.9
127.03885	20.2
127.07674	2.5
131.04939	6.8
133.04961	100.0
135.08054	4.5
137.09583	2.7
139.03842	2.6
141.05479	2.7
145.02815	4.8
145.04964	38.8
147.04391	23.4
150.07608	8.2
153.09091	5.5
160.07677	2.5
163.03893	6.8
163.06064	15.1
163.07397	3.6
165.09088	2.7
167.07051	7.2
175.07523	4.9
183.10144	3.4
183.13702	2.9
201.11177	5.8
204.08693	3.0
231.12326	4.0
236.09337	4.9
236.12712	4.0
241.07010	5.4
259.08167	6.4
277.09152	6.1
291.03854	3.3
295.10178	9.0
395.06830	3.3
398.14981	5.0
399.16064	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	398.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08460	0.3
51.37771	0.3
54.98640	0.6
56.96560	8.8
57.07465	0.2
69.68451	0.5
69.68863	1.3
70.61949	0.3
71.95250	1.2
85.10176	0.3
89.95518	0.3
97.02876	2.6
98.97569	38.1
112.96380	0.3
113.03463	0.7
116.98606	53.6
117.98940	0.4
119.01915	0.9
130.93301	0.6
134.01265	0.3
134.99641	62.7
136.00081	0.4
137.02953	0.9
140.00244	1.7
148.94237	0.4
153.00693	15.5
154.93326	0.4
156.32048	0.3
158.01239	3.9
172.94360	1.1
174.97542	0.4
176.02260	0.7
177.00900	1.2
190.95378	4.2
192.98738	0.9
197.95201	0.4
199.70740	0.3
208.96492	2.9
214.95239	1.5
216.98669	0.5
219.01892	1.4
230.93147	0.3
230.98674	0.4
232.96439	7.5
233.97002	0.5
234.99722	1.4
236.99944	0.3
240.98807	0.4
241.94084	0.3
250.97473	7.2
251.97772	0.7
255.98160	0.5
256.96393	14.7
257.96744	0.7
258.99783	3.8
259.99890	0.4
261.00320	0.5
261.02969	2.6
262.03180	0.8
263.02814	0.8
272.94388	0.8
273.99066	0.5
274.97479	100.0
275.97821	2.2
276.97809	0.7
277.00812	7.9
278.01035	1.1
279.00882	0.5
282.99963	3.7
284.00040	0.5
288.99026	0.3
290.95401	0.9
292.98523	91.0
293.98846	1.7
294.98843	0.5
297.99066	8.5
298.97556	3.1
299.97760	0.5
300.02377	1.0
300.97855	0.3
301.00998	7.7
302.01242	1.5
303.00989	0.8
310.99606	1.2
314.95343	0.4
316.00153	6.9
316.98730	8.4
317.98975	1.8
318.98560	1.1
319.02020	0.4
324.02701	0.4
333.96616	0.3
334.99942	0.6
336.44296	0.3
339.01666	0.4
340.00488	0.9
356.98413	1.0
372.92932	0.6
374.99280	4.8
375.26001	0.4
375.99274	0.5
380.96661	1.4
381.93326	0.7
394.91345	1.0
398.00806	0.6
398.97827	9.1
399.97977	0.9
412.92242	0.4
416.99304	4.4
421.99243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30355	0.4
55.05495	0.5
56.05021	0.7
56.96552	1.8
57.03424	0.7
57.07038	0.5
60.04506	0.6
61.02912	0.7
62.58908	0.4
67.05512	0.4
69.03404	1.3
70.06568	0.4
70.15710	2.3
71.08622	1.6
73.02938	0.7
74.02428	0.5
81.03413	0.8
83.04956	0.6
85.02894	3.7
85.07645	0.8
85.10182	0.9
89.03933	0.5
97.02885	5.1
98.97576	2.3
101.00825	0.5
101.06007	1.1
102.05542	0.8
105.25327	0.5
109.02918	0.5
111.04425	0.5
116.98611	2.6
119.01923	2.5
123.04465	0.6
127.03905	1.4
129.05461	1.1
131.01868	0.8
132.69537	0.4
134.99654	1.9
135.04422	0.6
136.06168	4.2
137.03069	0.5
137.05960	0.9
143.01874	0.9
145.03488	0.9
145.04880	0.6
146.05980	1.1
146.99606	1.1
147.04396	1.4
147.06482	1.6
149.02908	0.6
155.01808	0.8
160.49765	0.5
161.01242	0.8
161.02937	2.3
163.03922	1.5
173.02965	0.8
173.07076	1.1
174.05495	0.8
175.08661	0.5
175.85202	0.5
177.00688	2.0
185.02927	0.5
186.34352	0.5
191.08186	1.3
195.01387	1.2
197.03000	1.1
203.03978	0.8
213.00598	0.7
213.02437	1.7
219.01631	1.6
219.05042	0.5
219.07648	2.1
221.05017	1.2
228.05946	1.1
231.01497	0.9
231.03528	1.5
237.02707	3.1
237.06169	1.0
237.08699	1.3
244.04326	1.1
250.09364	3.3
255.03644	2.5
267.03464	0.7
279.03586	1.0
281.04941	1.0
291.03571	1.0
297.04468	1.1
298.09586	1.0
309.08118	0.6
321.08365	0.6
339.05560	6.2
339.09180	0.9
348.07004	0.7
357.06650	6.5
358.07190	0.7
380.08258	1.0
381.11212	3.1
393.08725	1.5
399.12592	100.0
400.12958	4.0
417.08154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.96558	1.4
57.07070	0.5
62.93874	0.5
69.03421	0.9
69.51128	1.1
69.51544	2.9
70.06568	0.5
71.08620	0.8
81.03425	1.0
85.02882	2.0
85.10169	0.7
93.36592	0.5
97.02884	2.6
98.21454	1.1
98.97582	1.5
101.05989	0.6
102.05482	0.8
107.04907	0.7
111.04449	0.9
111.42853	0.5
116.98607	1.2
119.01944	0.9
123.04437	0.7
127.03920	1.4
128.98573	0.6
134.99669	0.8
135.04402	0.6
136.06174	4.6
139.03778	0.7
146.99638	0.5
147.04388	1.1
147.06511	1.5
161.01221	0.8
163.03873	1.1
178.36523	0.5
219.04985	0.5
221.04880	0.4
237.02751	1.5
244.04349	0.7
245.04956	0.5
250.09395	1.7
298.09753	0.5
339.09372	0.8
381.10150	0.6
399.12595	100.0
400.12994	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	401.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.3
57.03436	0.6
58.41950	0.3
58.99853	0.7
61.02910	1.7
69.03422	2.2
69.81838	0.4
71.04943	0.4
71.59685	0.6
73.02905	1.0
77.00904	1.8
81.03419	1.5
82.99908	1.7
85.02906	3.3
91.03943	0.4
94.09382	0.4
94.99870	0.9
95.01934	1.5
97.02891	3.1
98.97581	3.0
99.73709	0.4
101.00864	6.4
109.02876	1.7
110.97568	0.6
113.00876	1.5
115.02436	0.8
116.98626	3.4
119.01913	33.1
120.02001	0.7
127.02428	1.6
127.03883	1.1
128.98613	1.5
131.01898	12.4
133.03459	1.8
134.99654	4.2
136.98500	5.9
137.02945	7.7
139.02423	1.5
142.03488	1.3
143.01886	16.8
144.02197	0.4
145.03448	14.8
146.03658	0.5
146.99649	1.6
147.01404	1.6
147.05026	1.0
149.02974	3.7
151.00043	0.8
152.59642	0.4
153.00743	0.9
154.99625	3.8
155.01878	18.6
157.03452	14.6
160.98514	1.6
161.02946	31.4
162.03098	0.9
163.00101	0.7
163.04510	3.4
166.99567	1.6
167.01892	6.7
169.03502	2.7
171.05043	2.7
173.02954	39.4
174.03215	1.2
174.97612	0.8
175.04509	5.4
175.99062	0.4
177.00764	0.4
177.02426	0.5
178.01154	0.6
178.99594	1.7
179.01855	2.4
180.00337	0.6
180.02197	0.4
180.05017	0.5
181.03493	0.7
184.04561	2.3
185.02953	46.4
186.03177	1.4
187.04517	5.3
187.50403	0.5
187.99258	0.6
189.05901	0.5
190.95563	0.4
190.99599	0.5
191.03970	2.3
192.98740	0.5
196.04530	2.7
197.00665	5.0
197.02954	16.3
198.03023	0.5
198.16762	0.4
199.04485	0.7
203.03989	17.7
204.04218	0.8
208.04440	2.0
208.96396	0.5
209.03000	1.7
215.01945	0.9
215.03986	9.6
216.98639	2.6
217.98686	0.6
219.02000	0.8
220.02330	0.7
220.04507	0.6
221.00624	1.4
221.05032	11.7
226.05496	0.7
227.04012	7.3
232.51695	0.5
234.99806	1.9
238.05460	0.8
239.01712	11.6
239.03639	0.4
239.06090	10.2
240.02075	0.7
243.00169	0.7
244.06523	0.6
245.05058	100.0
246.05244	4.4
249.02592	0.5
257.02713	16.1
257.05136	5.6
258.03104	0.8
258.99802	2.5
260.00592	0.5
261.03134	0.8
262.03189	0.7
263.06110	21.2
264.06287	0.8
266.01569	0.7
269.01468	0.7
275.03937	1.5
275.06116	36.3
276.06366	1.2
277.00861	3.3
278.01065	0.5
279.00894	0.5
280.04221	1.6
286.07697	1.2
287.05957	0.6
292.98682	0.6
293.07062	3.9
298.97714	0.9
301.00772	0.9
302.02322	0.7
303.00815	0.5
305.03592	0.8
305.07147	13.6
306.07336	0.5
311.02597	0.6
316.08627	1.0
316.98593	1.3
317.02008	0.6
317.07318	1.0
319.01703	2.2
319.52301	0.6
320.03448	0.7
335.08206	3.4
337.02954	1.7
340.98920	0.5
347.08078	0.9
358.99863	1.2
365.09265	9.2
383.00055	0.5
383.10437	2.8
401.01419	1.0
401.06873	18.2
402.07220	1.0
419.01941	2.5
419.06946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05994	0.8
53.03936	1.0
53.71016	0.7
55.01852	1.6
55.05494	1.7
55.91212	0.7
57.03436	12.7
61.02921	0.9
67.05480	0.8
69.03428	0.8
70.06577	1.0
71.05257	1.4
72.08118	1.0
75.04463	2.3
79.05489	4.3
81.03426	1.8
81.07059	1.7
83.04958	2.2
85.02908	6.6
86.09684	2.3
91.05481	4.1
93.07032	1.8
95.04964	1.9
95.08580	1.4
97.02889	2.1
97.06538	1.9
98.97588	1.0
99.04454	7.2
102.35280	0.7
103.03940	8.7
103.05444	2.9
105.07024	30.0
106.07359	1.0
107.04946	6.9
107.08585	2.9
109.02860	5.9
109.06532	1.5
115.05453	1.4
117.05486	20.7
117.06986	3.2
119.08632	1.3
121.06479	2.2
121.10132	2.2
122.03687	1.7
123.04437	1.5
123.08047	1.7
124.05253	1.2
127.03899	8.4
128.06209	2.9
131.04956	2.1
131.08586	2.1
133.06482	54.1
133.10123	2.1
134.06795	1.6
135.08058	2.2
135.11665	1.2
137.05969	100.0
138.06306	1.2
139.03868	1.0
141.05428	1.1
143.08513	1.9
145.06439	1.4
145.10181	1.0
147.04419	1.4
147.08044	2.4
149.05956	1.0
149.09590	1.0
150.06752	1.2
151.07549	1.2
153.01793	1.0
157.08620	2.9
158.99763	1.2
159.08078	2.5
161.06010	1.6
161.09636	1.9
162.06755	1.2
163.03877	1.0
163.07552	8.4
165.09116	33.5
166.09427	1.1
167.07039	4.8
171.08025	1.6
175.07544	11.4
175.11194	2.2
177.00716	1.0
177.09113	10.2
181.08580	3.3
183.06560	1.6
183.10155	20.3
184.10480	0.9
189.09091	4.4
193.08603	2.5
195.10162	1.0
201.07594	4.2
203.10663	7.7
205.11957	0.8
207.09872	0.9
209.11720	1.7
217.08600	1.4
219.08551	2.1
221.11710	14.7
222.11826	0.7
239.12761	6.6
248.08336	1.2
257.13840	26.0
258.14267	1.4
269.08023	1.0
281.13824	6.2
287.29932	0.9
291.10132	1.4
315.08688	2.9
323.12915	1.1
330.11057	4.5
351.12201	1.1
353.13254	0.8
365.15958	11.2
366.16235	0.9
383.14606	5.2
384.15192	1.3
401.15930	2.9
401.21283	2.8
401.28262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01863	15.7
55.05257	2.2
55.05506	35.2
55.07848	1.2
57.03180	2.0
57.03433	26.7
57.07070	1.9
65.03924	3.3
67.05497	63.1
69.03404	6.0
69.07058	43.5
69.40440	6.8
69.40870	5.2
71.04957	3.9
72.40195	1.2
75.00008	3.0
79.05484	55.9
80.86131	1.4
81.03407	13.5
81.07046	86.0
83.04968	15.0
83.08611	15.5
85.02913	7.2
85.06517	1.6
88.83746	1.2
88.97923	3.3
89.01561	3.0
90.99530	2.6
91.05469	36.1
93.07029	47.8
94.04187	1.7
94.07362	1.9
95.04956	23.7
95.08593	30.7
97.06514	5.4
97.10149	12.0
99.04431	4.3
99.08066	1.9
101.02340	2.1
103.05463	2.0
105.07016	45.8
107.04947	11.0
107.08584	30.5
109.06511	10.6
109.10140	20.6
111.04450	11.7
111.08066	9.7
111.08710	1.7
115.05390	1.8
116.06242	1.7
117.01005	7.3
117.07015	18.1
118.92245	1.2
119.08563	43.4
121.06491	19.6
121.10117	25.4
123.08045	65.9
125.09624	13.1
128.06242	2.4
129.01010	1.6
129.06979	8.3
130.07802	1.4
131.02559	2.9
131.08546	24.8
132.05667	1.8
132.66396	1.4
133.00517	11.4
133.06473	4.8
133.10098	12.4
135.08046	11.5
135.11702	7.8
135.12543	1.4
136.39487	1.5
137.09596	12.3
141.04677	2.0
143.08521	10.0
145.00513	7.2
145.06476	1.7
145.10112	25.1
147.04469	1.3
147.08032	20.6
147.11649	6.9
149.09610	14.0
151.11130	1.4
153.09084	6.1
153.12711	2.6
155.08531	2.8
157.06493	2.1
157.10091	9.8
159.08049	5.2
159.11696	9.5
161.09581	9.3
161.13211	2.9
163.11140	15.0
165.09103	5.9
165.12798	1.7
167.08632	1.5
169.10097	3.5
171.07968	1.9
171.10146	6.7
171.11661	9.0
173.07271	3.7
173.09601	4.0
173.13226	3.0
175.11162	5.7
177.08986	1.7
177.12767	2.0
181.10043	2.4
181.12274	3.9
183.05754	1.9
183.11688	1.9
185.09612	2.3
185.13228	5.5
187.11115	2.2
189.11206	13.3
189.12704	2.6
191.10564	2.0
193.12114	2.4
195.11682	3.4
197.07358	6.2
199.11174	2.9
203.14294	2.2
209.13278	2.3
211.08905	1.5
211.14888	3.5
213.12769	2.2
213.16306	2.8
223.13150	6.9
225.10332	1.6
227.17882	6.5
231.10204	1.4
231.13962	1.9
231.17546	1.7
233.15068	1.4
237.16374	3.5
241.85036	1.5
245.18967	4.5
249.14799	4.0
255.17398	9.5
273.18445	54.6
274.18744	1.9
281.16635	2.7
291.19510	100.0
292.19766	2.7
309.16104	10.3
327.17258	4.2
347.22147	3.4
370.16739	1.3
383.20071	1.7
401.20831	88.4
401.28262	2.5
402.20840	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30326	1.9
51.41523	1.7
52.99013	1.7
53.00302	2.0
53.03922	6.8
55.01863	15.8
55.05264	2.4
55.05506	39.5
56.88818	1.7
57.03188	1.9
57.03430	25.1
59.04997	1.8
65.03922	4.7
67.05497	55.3
69.03410	4.4
69.07057	45.9
71.04965	5.8
71.63532	3.6
79.05481	64.4
81.03408	13.7
81.07046	94.1
83.04973	16.0
83.08604	13.7
85.02873	7.4
85.06504	2.3
90.99505	2.4
91.05467	44.9
93.07029	51.6
95.04954	25.7
95.08602	28.7
97.02821	1.7
97.06493	8.9
97.10156	14.0
99.04423	5.6
99.70326	1.8
101.02390	2.4
103.05446	1.9
105.07020	42.6
107.04947	12.1
107.08576	29.6
109.06499	10.6
109.10146	19.5
111.04435	10.3
111.08080	10.2
117.01023	5.8
117.07010	18.4
119.04855	2.2
119.08572	46.1
121.06490	18.8
121.10115	26.4
123.08050	73.9
125.06040	2.0
125.09615	11.8
128.06189	3.0
129.01018	2.2
129.06947	9.7
129.94897	2.0
130.07721	2.4
131.02562	2.9
131.08556	26.9
133.00494	10.0
133.06441	5.9
133.10098	14.7
135.08000	11.2
135.11691	8.9
137.09618	11.1
141.04642	1.9
141.06979	2.2
142.07831	1.9
143.08501	10.1
145.00513	5.8
145.06389	1.8
145.10106	25.8
147.08026	18.1
147.11653	10.0
149.09598	14.6
150.46844	1.7
151.07509	2.8
151.11110	1.9
153.09119	4.3
153.12746	3.3
155.08484	3.5
157.04027	1.9
157.10106	10.5
159.08037	6.0
159.11690	10.7
161.09613	12.2
161.13231	2.8
163.11147	14.7
165.09058	6.2
165.12714	1.9
169.10086	5.5
171.10124	6.7
171.11646	9.3
173.07175	2.7
173.09549	4.4
173.13269	3.3
175.11198	6.7
177.12744	2.7
181.07718	1.8
181.12257	3.1
183.11717	2.3
185.09546	2.9
185.13142	4.0
187.11055	2.5
189.11211	10.6
189.12694	2.7
193.12224	4.6
195.11696	3.7
197.07280	5.7
199.10977	1.9
205.12291	2.0
219.13622	2.2
223.13237	8.0
227.17902	4.0
231.89725	1.8
235.13144	2.3
237.16446	4.6
245.18846	4.3
249.14815	3.9
255.17415	10.0
273.18442	59.8
274.18954	3.5
280.39883	2.1
291.19492	100.0
292.19897	3.5
305.48123	2.2
309.16144	7.9
327.17276	2.4
347.22083	3.6
383.19754	5.8
401.20813	86.6
402.21408	5.7
405.98306	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01851	4.8
55.05497	3.6
56.96538	3.4
57.03429	6.3
57.07056	1.7
59.05009	1.5
59.21069	1.0
61.02922	8.5
67.05492	6.7
69.03071	1.6
69.03421	23.4
69.07044	4.4
70.06586	5.5
71.04976	4.5
71.18975	2.5
72.08121	1.4
73.02896	2.4
79.05492	5.4
81.03397	12.5
81.07038	9.3
83.04954	2.6
83.08562	2.6
84.08117	1.7
85.02893	64.7
85.06537	10.2
86.03220	1.6
86.09682	3.0
87.04453	3.7
91.03930	3.8
91.04952	1.0
91.05453	7.1
93.07036	13.2
95.04944	8.4
95.08599	9.0
97.02876	21.8
97.06500	3.1
98.97576	4.6
99.04441	5.2
101.02397	2.3
105.07016	13.0
105.42366	1.1
107.04951	1.5
107.08575	11.4
109.02868	7.6
109.06497	17.4
109.10169	5.6
111.04401	1.5
111.08046	1.7
111.43549	1.2
113.05968	3.5
116.98586	3.3
117.07047	2.3
119.04890	1.2
119.08563	13.5
120.08090	2.5
121.06491	5.2
121.10117	8.5
123.00800	1.5
123.04408	1.5
123.08042	5.1
127.03046	2.1
127.03892	17.8
131.04956	1.1
131.08540	3.7
133.10114	13.0
134.41138	1.3
134.99640	3.5
135.04401	1.9
135.08051	10.0
135.11693	7.2
137.05954	3.5
137.09578	4.2
138.93817	1.2
139.03873	2.6
141.01772	3.3
143.08578	1.1
145.04929	13.1
145.06439	2.0
145.10098	6.1
147.04393	7.5
147.08012	2.0
147.11650	3.9
148.03854	1.6
149.05992	1.5
149.09560	4.1
149.13196	1.7
151.03880	1.4
151.11165	2.5
157.10069	2.3
158.99615	2.2
159.11656	1.6
161.09610	4.1
161.13182	3.8
162.05484	1.2
163.03888	4.0
163.11205	4.5
165.09084	4.1
166.04955	1.2
166.09941	1.1
167.07011	2.5
167.10597	8.0
173.13200	4.9
175.11084	1.5
175.14769	2.3
176.07198	1.2
177.00716	2.6
177.05441	2.7
177.12708	1.7
179.14229	1.6
181.04947	12.7
181.12241	3.2
185.13174	1.8
190.04907	1.4
191.14297	5.9
193.14117	1.4
203.14337	2.5
209.15353	7.1
214.08516	1.7
219.01706	1.6
221.11716	1.1
221.15271	7.4
222.07722	2.4
223.09129	5.9
223.59363	1.4
227.10379	1.2
237.02957	1.4
238.14359	2.4
239.16414	100.0
240.16693	2.1
305.06500	1.6
324.05978	1.3
401.05646	1.7
401.17636	2.2
401.21698	3.0
419.12134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91349	1.2
57.03413	1.4
60.04515	2.1
71.24193	2.0
71.24525	1.7
72.08138	1.7
78.70537	1.1
79.08224	1.1
85.02885	4.7
86.09685	1.2
91.05488	1.4
97.02888	2.7
103.05465	1.7
106.06541	1.5
115.05430	5.7
118.06522	3.4
120.08120	1.8
123.04388	3.9
127.03887	1.6
130.06512	100.0
131.04897	3.1
131.06845	1.1
133.06482	18.1
134.99791	1.3
145.05006	2.0
147.04395	4.8
148.07576	13.7
148.96611	1.1
151.03854	2.6
156.82773	1.5
158.06003	88.8
159.06337	1.7
163.03900	3.9
165.07796	1.6
176.07050	10.4
186.05507	8.0
197.99908	1.2
204.06541	37.1
204.08458	2.6
205.06853	1.5
222.07599	77.4
223.07913	1.8
229.86694	1.1
240.08664	3.5
248.94012	1.3
308.05676	1.2
402.12646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12302	0.2
55.05486	0.2
57.07062	1.3
61.93857	0.2
64.76760	0.2
65.03928	0.7
67.05486	0.3
69.03418	0.6
69.07040	0.5
69.90045	0.2
69.99406	0.9
79.05468	0.5
81.03418	0.3
81.07040	0.4
83.42117	0.2
85.02892	1.3
85.06476	0.2
91.05476	0.3
93.03411	0.4
93.07085	0.3
94.24976	0.2
95.04980	0.3
95.08620	0.3
97.06525	0.6
105.07020	0.4
106.07423	0.2
106.12920	0.2
107.08585	0.2
109.02825	0.2
118.70624	0.2
121.02866	2.7
123.04405	0.4
124.04742	0.2
127.03916	0.4
139.03874	1.2
140.04225	0.3
149.02328	100.0
150.02679	2.2
153.05515	1.0
154.05785	0.3
156.39641	0.2
163.03873	0.3
167.03412	2.5
167.07050	1.0
174.45682	0.2
180.08731	0.2
190.05002	0.9
191.05070	0.2
205.08583	3.7
217.08507	0.2
218.08945	0.3
220.10489	0.3
223.09630	13.6
224.10016	0.4
240.16771	0.3
331.11316	0.4
384.15274	0.3
403.14365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04008	6.5
55.01855	6.8
55.05498	28.1
57.03419	28.7
57.07071	9.3
57.81790	6.0
64.27871	6.4
67.05501	68.5
67.20145	7.4
69.03404	9.1
69.07058	56.7
71.05006	7.7
71.07476	10.5
71.07823	12.2
79.05474	63.3
81.07038	79.5
83.04958	12.3
83.08599	17.7
87.88029	5.7
91.05456	56.0
93.07030	76.2
95.04935	25.4
95.08588	36.2
97.06516	16.9
97.10171	20.2
105.07018	47.8
107.04929	9.8
107.08569	51.2
109.06478	9.0
109.10155	15.1
111.08006	11.4
117.07008	22.4
119.08558	35.8
121.10128	24.3
129.06958	7.4
131.08572	26.8
133.10095	27.5
135.08092	6.6
135.11642	27.5
137.18210	5.8
145.10104	27.9
147.04359	6.6
147.11662	14.9
149.09616	15.2
149.13225	17.9
154.53784	6.5
159.11708	39.1
163.11142	11.6
171.10196	10.4
173.13240	21.0
177.12755	18.4
179.14259	7.6
197.13405	7.0
227.12788	12.2
255.15891	75.3
257.18991	7.6
269.17422	100.0
275.20059	58.9
349.23712	56.0
367.24393	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	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	6.3
55.05504	35.0
57.03424	21.3
58.86056	5.4
62.75416	5.5
64.36523	5.4
67.05495	75.4
69.07057	36.4
70.10114	5.0
71.05004	8.7
71.63149	5.1
71.63570	9.5
73.02906	5.9
73.98640	5.4
79.05485	58.1
81.03390	5.9
81.07048	100.0
82.07390	6.9
83.04967	29.1
83.08609	22.3
85.02891	10.6
85.06541	6.8
91.05482	41.5
92.79700	5.6
93.07024	60.8
95.04955	11.3
95.08598	41.8
97.06503	23.5
97.10129	9.3
105.07009	38.5
107.04951	7.1
107.08575	46.9
109.06523	11.4
109.10152	19.9
111.04430	8.9
111.08068	9.9
117.06989	13.8
119.08570	32.6
121.06483	6.8
121.10133	17.8
123.08084	6.8
125.09631	6.5
131.08571	19.6
133.10117	36.9
135.08029	6.9
135.11693	34.2
145.10126	26.7
147.04359	7.4
147.11720	17.7
149.09572	9.3
149.13283	16.1
157.10074	7.1
159.11676	33.0
163.11119	10.8
169.10127	6.8
171.11703	8.4
177.12730	11.1
179.14323	9.6
183.11636	7.5
195.13828	13.2
247.20374	8.5
255.15906	72.0
258.48682	8.0
269.17438	83.5
275.20068	26.9
349.23666	26.4
364.83212	6.0
367.24924	8.2
403.24524	10.4
403.29611	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	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.3
55.05505	18.6
67.05495	26.3
69.07062	17.2
69.55585	23.1
79.05074	5.3
79.05464	25.1
80.36800	3.9
81.03401	6.3
81.07048	76.2
83.04996	5.3
83.08611	10.2
85.06559	3.2
85.49173	3.5
87.42060	3.5
91.05463	23.9
93.07040	27.7
95.04968	9.8
95.08581	22.6
97.06499	6.4
105.07031	19.5
107.04938	6.4
107.08593	18.8
109.06489	19.7
109.10137	11.0
109.55154	3.3
111.08093	3.8
117.06960	6.8
119.08585	19.2
121.06527	4.1
121.10130	13.8
121.43600	3.2
123.11691	8.6
131.08566	7.7
133.10114	14.9
135.11697	4.1
137.09654	4.1
145.10104	10.4
147.11690	12.4
149.09636	5.1
149.13187	6.3
153.06419	3.1
159.11705	9.2
163.11163	5.3
165.12717	4.9
171.11737	4.2
175.11267	4.2
222.04662	4.3
247.20596	3.8
257.18979	6.3
275.20016	49.5
293.18143	3.6
293.21124	13.5
349.19626	7.0
349.23694	77.2
367.24750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
67.05500	3.5
69.03430	7.0
69.07060	3.1
70.06571	1.6
72.08150	5.2
79.05488	3.2
81.07044	1.9
83.04977	8.1
85.02910	6.3
85.06544	2.4
86.09709	7.5
86.56802	1.3
91.05468	14.2
93.07036	51.3
95.04955	9.5
95.08608	3.8
97.02866	2.0
97.06527	2.7
98.21503	3.3
98.50305	1.6
103.05472	2.1
105.07021	3.9
107.04971	1.5
107.08610	3.9
109.06529	2.9
111.08043	2.1
116.98652	1.9
117.06940	2.1
119.04945	3.1
119.08582	1.5
121.06492	100.0
121.10141	2.6
123.04446	1.6
127.03919	1.9
127.07545	9.8
129.01831	3.5
129.06836	1.4
133.10155	2.2
135.08061	3.7
135.11703	3.4
139.07533	3.2
145.10095	1.7
147.04385	6.0
147.08047	1.9
149.09608	5.4
155.10674	2.5
159.11652	9.6
163.03880	3.3
163.07469	1.7
163.11186	2.5
165.09186	1.9
175.03963	3.6
175.11128	3.6
177.05484	2.8
177.12813	2.7
179.10619	1.7
187.11183	5.7
189.12395	1.9
197.12669	1.5
205.12216	57.9
207.06541	9.3
222.88361	1.4
223.09674	1.6
223.13277	23.7
225.07512	2.6
229.47008	2.2
241.14323	2.4
255.01686	1.5
296.26273	1.6
320.45459	1.6
403.15515	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	403.2474
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
53.03928	3.2
55.01870	9.5
55.05503	70.4
57.03419	3.8
59.04981	2.6
62.10685	1.1
67.05494	31.4
69.03406	7.6
69.07061	14.6
71.04998	2.1
71.63342	2.2
79.05482	43.1
81.07043	36.1
83.04987	5.6
83.08609	36.8
85.06548	1.9
89.63100	1.0
91.05466	23.3
93.03394	1.6
93.07034	19.4
95.04957	5.3
95.08594	11.6
97.06530	2.2
97.10157	71.0
101.09603	1.4
103.05463	12.3
105.03368	2.3
105.07008	20.3
107.04921	3.6
107.08583	31.6
109.06512	4.0
109.10139	10.8
111.08058	3.4
115.05445	5.3
117.06999	30.5
117.08339	1.2
119.04936	1.4
119.08566	13.0
121.06488	2.9
121.10149	4.4
123.08021	2.0
125.09611	56.8
128.06190	4.1
129.01816	2.9
129.06995	19.6
129.07906	2.0
131.04900	10.9
131.08539	23.8
133.06467	6.5
133.10115	7.4
135.08012	10.7
141.06950	8.7
142.07690	2.6
143.04947	2.2
143.08571	14.4
143.10646	3.7
145.06462	18.8
145.10114	10.3
145.59978	1.3
147.08047	3.8
147.11662	2.3
149.09586	5.7
153.06943	1.6
153.09073	7.1
155.08543	10.2
156.09251	1.5
157.01378	1.4
157.06445	4.2
157.10110	7.3
158.07199	1.6
159.08051	5.0
159.11674	5.9
165.06952	2.3
167.08578	4.0
169.10078	10.3
171.08031	3.9
171.10168	3.2
171.11499	6.3
173.13243	3.2
175.11282	1.4
175.14706	1.5
179.08591	2.4
181.10098	3.3
183.11684	5.1
185.09619	2.8
185.13234	7.6
187.14784	16.4
189.11200	53.3
189.12903	3.0
193.10153	2.7
195.08080	1.5
195.11594	6.1
197.13226	15.5
198.13593	1.3
199.11165	2.3
199.14815	3.1
207.11737	1.6
209.13168	2.9
211.14839	2.9
213.12743	6.1
215.14288	100.0
216.14603	3.6
219.11568	1.4
221.13290	2.9
223.11168	3.4
225.12718	2.7
231.13853	3.6
233.15302	9.8
237.12749	2.7
239.14287	1.8
241.12209	9.0
244.29019	1.4
253.15912	2.0
255.13750	1.7
257.15469	3.2
259.13196	7.7
269.15311	2.3
271.16971	2.0
273.15015	1.6
321.22198	2.7
331.20453	2.7
339.23227	6.6
349.21588	15.6
357.24326	3.0
367.22614	68.0
368.22961	2.4
385.23691	82.8
386.24191	5.0
403.24799	69.1
403.29742	6.6
404.25204	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	403.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.05507	29.7
57.07043	2.2
59.60937	1.4
67.05495	36.4
68.87234	1.7
69.07059	12.2
69.29025	3.5
69.29428	17.6
71.04974	4.1
71.08627	2.2
75.58811	1.4
79.05486	63.8
81.07048	100.0
83.04980	2.2
83.08609	7.4
85.06551	3.8
91.05473	52.4
93.07036	70.8
95.04967	9.6
95.08598	25.2
97.06493	2.1
97.10131	2.8
98.20709	3.5
98.21385	5.8
99.08076	1.9
105.07017	50.2
105.07741	2.4
107.08581	36.3
109.06504	11.8
109.10151	13.4
111.51783	1.8
117.07031	10.7
119.08562	37.6
121.10138	26.0
123.08089	3.4
123.11696	2.0
125.09626	2.7
127.07562	5.3
129.01804	2.3
129.06978	6.0
131.08577	16.0
133.10117	38.5
135.11674	36.6
142.07758	1.9
143.08556	5.9
145.10106	18.0
147.11668	32.8
149.09642	3.0
149.13234	19.2
157.10124	9.5
159.11658	12.9
161.13240	19.5
163.14821	4.8
169.10088	2.2
171.11676	10.3
173.13219	6.6
175.14886	9.1
185.13271	9.0
187.14824	3.5
197.13509	2.0
199.14792	5.2
203.14354	1.9
213.16403	4.1
217.15871	2.0
231.21062	8.2
241.19475	15.7
259.20544	82.2
260.20844	2.5
277.21564	17.0
284.49728	1.7
403.28482	36.4
403.33386	5.0
403.39694	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	403.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05503	4.9
57.07057	1.1
67.05503	6.4
69.03405	1.0
69.07057	5.3
70.76658	0.7
70.76997	2.4
79.05487	5.2
81.07050	9.4
83.04955	0.8
83.08589	2.2
91.05470	9.2
93.07038	10.5
95.04946	2.1
95.08601	16.8
95.27408	0.8
97.06506	0.7
97.10127	1.3
103.05450	0.9
105.07010	13.3
107.08575	17.3
109.06482	2.0
109.10126	12.6
109.62771	0.7
110.57333	0.7
111.08043	1.3
111.13459	0.7
112.58410	0.8
115.05446	1.3
117.07001	4.1
119.08565	27.8
120.23158	0.8
121.06466	3.9
121.10123	7.6
123.07997	1.4
123.11664	2.5
128.06194	1.7
129.07019	3.5
130.07756	1.8
131.08569	9.7
131.09520	1.2
133.06476	2.6
133.10118	30.9
134.10446	1.5
135.08025	5.8
135.11646	2.5
137.09595	0.9
137.13268	1.3
141.06956	1.1
142.07744	3.3
143.08537	8.8
144.05801	0.7
144.09280	3.0
145.06462	2.0
145.10107	57.3
146.07245	2.1
146.10449	1.2
147.08032	13.2
147.11693	5.3
149.09604	2.0
149.13194	1.1
155.08556	3.3
156.09343	5.2
157.10123	15.5
158.10864	3.6
159.08034	6.4
159.11674	23.7
160.08846	1.1
161.09608	31.7
161.13213	5.7
162.09959	1.0
163.14880	0.9
167.08540	1.8
168.09357	1.0
169.10071	4.5
170.10854	4.4
171.08025	2.0
171.11668	16.4
172.08739	1.8
172.12350	2.6
173.09644	4.6
173.13225	12.1
174.10452	1.7
175.11166	4.8
175.14813	2.9
179.08434	1.1
181.10126	1.5
182.10861	1.2
183.11678	6.7
184.12427	2.5
185.09602	2.1
185.13252	15.6
186.10432	4.9
187.11314	3.7
187.14798	95.8
188.11871	2.3
188.15117	6.2
189.12744	2.6
189.16391	2.1
193.10196	1.0
195.11684	2.8
197.13228	6.0
199.11180	6.6
199.14799	13.8
200.15294	0.9
201.12724	31.0
201.16403	7.6
202.13005	0.9
203.14294	100.0
204.14610	3.5
205.15924	0.8
209.13234	3.4
211.11169	1.3
211.14824	3.1
212.15401	0.8
213.12775	2.2
213.16336	13.6
214.16940	0.9
215.14400	3.6
215.17926	7.6
217.15842	7.5
221.13197	2.3
223.14819	2.7
225.12741	1.3
225.16364	2.7
227.14276	2.0
227.17976	1.6
229.15889	2.6
231.17342	0.8
235.14850	2.1
237.12791	1.0
237.16364	1.5
239.14224	1.5
239.17825	0.9
249.12909	0.8
249.16266	1.1
250.17311	0.9
251.17923	2.1
253.19424	1.3
255.17535	1.5
263.17963	1.6
265.19443	2.4
267.17401	1.5
267.21042	3.2
269.19046	0.8
275.17957	1.1
277.19418	0.9
279.17520	1.6
279.20837	0.8
281.18762	1.1
283.20477	1.7
289.19434	1.0
291.20984	1.4
293.18930	1.1
295.20602	2.3
301.19589	0.9
303.20840	1.1
307.20828	1.0
309.22079	2.5
319.20517	1.2
321.22195	1.4
333.22064	4.2
347.23688	2.3
375.30475	3.3
385.28610	5.5
403.29904	72.1
404.30185	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	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01863	2.0
55.05494	2.2
57.03414	1.9
59.04982	0.8
61.02908	1.5
67.05480	3.4
69.03424	7.8
69.07060	1.4
71.04987	9.0
71.63547	1.2
73.02910	2.2
79.05482	5.9
81.03394	2.4
81.07053	17.8
83.04959	1.3
85.02898	13.2
85.06517	2.2
86.09698	1.2
91.03951	0.9
91.05473	10.0
93.06455	1.4
93.07034	19.0
95.04944	3.5
95.08601	4.9
97.02885	11.5
97.06501	1.7
98.97569	0.8
99.04445	32.0
105.07019	27.7
107.04945	1.7
107.08595	11.1
109.02866	2.1
109.06490	5.7
109.10133	2.0
111.08067	14.7
111.11665	0.8
113.06014	1.3
117.07034	1.4
119.04924	2.0
119.08579	5.0
121.06475	4.0
121.10136	2.6
123.08030	2.2
123.11668	1.1
125.06000	1.3
127.03920	3.6
128.06216	1.9
129.06976	1.0
131.08525	2.6
133.06488	5.1
133.10115	50.1
135.08069	1.5
135.11682	3.0
137.05977	9.1
137.09610	2.3
139.03896	1.0
143.08585	6.4
145.04936	2.9
145.10106	4.5
146.07253	2.3
147.08015	2.4
147.11629	1.9
149.09613	1.6
151.03708	0.8
151.07527	5.9
151.11171	6.2
161.09605	54.3
161.13229	1.3
162.09981	1.2
163.11162	14.4
165.09103	2.7
165.12804	3.8
167.07024	2.1
171.08015	1.9
171.11758	1.0
179.10655	26.6
180.08621	2.6
181.04968	1.6
189.09087	24.3
189.12614	4.2
197.07030	1.0
201.11229	2.0
207.08192	1.7
207.10143	19.9
207.13713	7.8
225.11197	100.0
226.11478	2.3
239.08136	1.7
242.13791	3.5
245.12941	1.4
267.07709	1.0
272.16788	0.9
289.14377	1.1
299.10248	1.9
309.08627	1.8
327.09695	2.5
333.13278	1.2
345.10681	6.6
351.14359	2.5
362.20203	0.8
369.19183	0.9
373.10168	4.1
404.04294	1.1
405.12143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99466	0.9
53.03928	1.9
55.01857	3.3
55.05501	3.7
57.03414	1.4
57.07048	0.9
59.13686	0.8
59.43562	0.9
61.02906	1.2
67.05495	4.6
69.03424	7.8
69.07038	1.9
71.04984	11.9
71.63571	0.9
73.02901	1.6
79.05479	7.8
81.03399	2.4
81.07045	29.7
83.04975	1.6
85.02896	10.6
85.06542	2.5
91.05466	15.4
93.06453	1.7
93.07034	23.9
95.04948	4.7
95.08612	9.3
95.09178	1.5
97.02878	13.9
97.06511	2.4
98.97591	1.1
99.04442	34.1
103.05428	1.4
104.73573	0.9
105.07014	46.9
106.07350	1.3
107.04942	3.6
107.08578	15.1
108.09028	1.0
109.02876	1.6
109.06495	8.7
109.10146	7.0
111.08054	16.2
113.06010	1.7
116.98588	2.1
117.07005	2.8
119.04940	2.5
119.08549	9.6
121.06499	6.0
121.10129	2.3
123.04443	0.9
123.08042	4.8
123.11732	2.0
125.05965	3.6
127.03905	1.8
128.06204	3.5
131.08534	3.4
133.06555	4.8
133.10114	76.0
134.10475	1.2
135.08051	2.4
135.11661	8.4
137.05959	8.9
137.09581	3.3
139.03897	1.6
142.52379	0.9
143.08548	10.1
145.04964	1.0
145.06465	1.1
145.10133	6.5
146.06142	0.9
146.07170	4.0
147.07996	1.5
147.11638	1.2
149.09615	1.6
149.13231	1.1
151.07530	5.0
151.11169	6.5
151.14783	1.2
153.09023	1.5
157.06500	0.9
159.11801	1.7
161.09599	78.4
162.07654	1.0
162.09929	1.8
163.11159	20.0
165.09090	3.4
165.12810	1.4
167.07051	2.8
171.08035	2.9
171.11691	0.9
173.13100	1.0
174.06735	0.8
175.14807	2.4
179.10654	35.8
180.08630	1.8
180.11060	1.2
181.04985	1.8
189.09076	30.0
189.12776	2.3
190.09378	1.1
193.15825	2.7
195.18094	0.7
207.10153	24.4
207.13736	6.7
211.16882	11.1
225.11194	100.0
225.14836	3.4
226.11548	2.0
242.13829	3.0
242.17450	1.1
279.87073	0.9
333.13327	0.8
359.10294	0.9
404.04272	0.9
404.14594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51435	0.9
51.02380	1.1
53.03954	1.2
55.01849	1.6
55.05487	2.3
56.72579	0.9
56.96547	2.2
65.03928	1.5
67.05479	2.1
69.03429	5.4
69.07062	1.4
71.04976	3.3
71.61121	1.7
73.44861	1.0
79.05476	5.2
81.03429	1.1
81.07047	3.7
83.08600	1.3
84.38888	0.9
85.02909	7.4
91.05469	10.0
93.07029	19.8
95.04924	2.9
95.08617	2.3
97.02859	3.0
97.06490	2.0
99.04438	7.9
100.11245	1.7
103.05449	1.6
105.07022	45.8
106.07329	1.4
107.04913	3.0
107.08562	11.9
109.06525	1.5
109.10134	1.9
116.98639	1.9
119.04934	2.7
119.08553	4.3
121.06450	2.2
121.10119	1.7
123.04422	1.8
123.08045	6.4
123.11696	1.8
129.06949	1.4
131.08501	2.1
133.06445	4.2
133.10120	38.0
134.10475	1.2
135.11659	3.3
137.05940	7.9
139.03845	4.1
143.08496	3.4
144.38844	1.1
145.10121	7.7
147.04384	1.3
147.11656	1.8
149.05948	1.7
151.03818	2.2
151.07515	4.2
151.11147	2.4
153.01796	2.4
153.05508	1.5
161.05911	1.9
161.09602	29.9
163.11163	100.0
164.11415	2.7
165.05515	2.2
167.07042	14.4
168.07394	5.4
177.05539	2.2
179.10655	62.3
180.11000	2.5
181.04951	7.2
187.14693	1.2
189.09079	17.5
191.06859	1.3
193.08405	1.6
194.09000	1.9
207.10132	19.9
207.13890	2.0
210.14963	1.6
219.10165	2.0
224.17326	1.1
225.11201	8.9
233.08043	3.5
263.09076	1.7
295.90991	1.2
298.40594	1.0
334.16751	1.1
358.03644	1.8
387.14505	2.4
404.13528	1.5
404.18262	2.3
404.30359	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	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
58.06580	2.1
59.04979	3.5
67.05490	6.6
69.03414	5.1
69.07037	3.5
70.06576	5.6
71.04990	6.0
71.61204	4.7
79.05473	2.8
81.07045	7.7
82.54088	2.6
83.04989	3.6
83.08613	2.9
85.02903	16.3
85.06527	4.0
86.09693	6.0
90.16315	2.4
91.05473	13.8
93.07061	4.9
95.04966	5.0
95.08598	15.4
97.02898	3.1
97.06516	4.1
98.97571	3.1
99.04445	3.7
105.06998	14.2
107.08595	13.9
109.06522	2.3
109.10127	3.8
113.05930	2.7
114.05627	2.7
116.98605	2.7
119.08588	15.9
121.10130	13.8
123.04388	3.9
123.08054	10.8
127.03910	3.2
129.06989	3.9
131.08556	9.0
133.10120	5.6
135.04442	3.1
135.08064	16.9
135.11684	5.0
137.05969	3.8
137.09590	4.1
139.03851	4.5
141.07045	3.3
143.08542	8.5
145.10130	6.3
147.04405	10.8
147.08015	11.9
147.11664	16.2
149.09586	13.8
151.07616	2.6
156.09349	10.5
161.05949	2.5
161.09572	3.1
161.13232	8.4
163.07570	4.4
165.12767	3.5
167.07065	3.1
171.11682	25.6
177.05469	3.9
189.12744	22.9
203.06812	3.1
207.10376	5.0
207.13776	100.0
208.14099	3.5
225.14874	4.3
237.05533	2.4
242.13771	2.9
242.17465	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.07080	1.2
59.05000	1.0
65.95215	0.8
67.05491	1.8
68.88514	1.0
69.03411	2.7
70.06577	1.8
71.01314	2.0
71.01649	1.6
71.04955	1.6
79.05477	1.6
81.07059	1.5
83.04983	2.3
83.08627	1.0
85.02888	8.2
85.06537	1.3
86.09698	1.5
91.05479	4.7
93.07034	4.0
95.04945	1.0
95.08602	7.2
97.02874	1.5
97.06543	2.4
99.04415	2.3
99.08074	3.8
101.83710	0.9
105.07000	6.4
107.08627	4.7
109.06509	1.3
109.10114	1.7
113.06007	2.0
113.60635	1.1
117.06940	1.2
119.04903	1.1
119.08568	12.2
121.10121	3.0
123.08052	3.0
123.11648	1.3
125.09615	1.3
127.03915	1.8
127.07499	2.4
130.07727	1.1
131.08522	2.9
133.06454	4.5
133.10114	2.5
135.11676	2.4
137.05937	1.6
137.09592	1.9
139.03908	1.2
139.11206	1.7
143.08536	1.5
145.10094	15.5
147.04390	1.2
147.08012	1.0
147.11678	18.4
149.09558	1.4
156.09328	3.5
161.09613	1.1
161.13266	3.1
163.11215	1.6
165.09113	1.2
167.07053	1.7
169.01260	1.7
171.11667	4.4
178.04994	1.1
181.04897	1.5
181.12335	1.6
187.12387	1.1
189.12718	100.0
190.13058	4.1
193.15904	2.2
207.09645	1.2
207.13745	16.3
222.03958	1.7
223.89369	1.0
225.14751	1.9
242.17445	2.1
243.15791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.07080	1.2
59.05000	1.0
65.95215	0.8
67.05491	1.8
68.88514	1.0
69.03411	2.7
70.06577	1.8
71.01314	2.0
71.01649	1.6
71.04955	1.6
79.05477	1.6
81.07059	1.5
83.04983	2.3
83.08627	1.0
85.02888	8.2
85.06537	1.3
86.09698	1.5
91.05479	4.7
93.07034	4.0
95.04945	1.0
95.08602	7.2
97.02874	1.5
97.06543	2.4
99.04415	2.3
99.08074	3.8
101.83710	0.9
105.07000	6.4
107.08627	4.7
109.06509	1.3
109.10114	1.7
113.06007	2.0
113.60635	1.1
117.06940	1.2
119.04903	1.1
119.08568	12.2
121.10121	3.0
123.08052	3.0
123.11648	1.3
125.09615	1.3
127.03915	1.8
127.07499	2.4
130.07727	1.1
131.08522	2.9
133.06454	4.5
133.10114	2.5
135.11676	2.4
137.05937	1.6
137.09592	1.9
139.03908	1.2
139.11206	1.7
143.08536	1.5
145.10094	15.5
147.04390	1.2
147.08012	1.0
147.11678	18.4
149.09558	1.4
156.09328	3.5
161.09613	1.1
161.13266	3.1
163.11215	1.6
165.09113	1.2
167.07053	1.7
169.01260	1.7
171.11667	4.4
178.04994	1.1
181.04897	1.5
181.12335	1.6
187.12387	1.1
189.12718	100.0
190.13058	4.1
193.15904	2.2
207.09645	1.2
207.13745	16.3
222.03958	1.7
223.89369	1.0
225.14751	1.9
242.17445	2.1
243.15791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01870	2.4
55.05497	4.6
57.03420	3.8
57.07055	1.6
61.02927	1.6
62.16616	1.0
67.05498	2.4
69.03410	3.2
69.07041	2.5
71.04955	1.7
71.63338	1.5
74.23372	1.0
74.77531	0.9
75.58672	1.0
79.05470	3.7
81.03395	2.0
81.07061	7.5
83.04961	7.5
83.08592	2.3
85.02893	21.9
85.06498	1.5
88.20176	1.0
91.05463	4.1
93.07037	5.4
95.04943	4.6
95.08607	6.5
97.02856	3.4
97.06518	3.8
99.04453	3.2
105.07027	8.9
107.04917	2.2
107.08589	7.7
109.02867	1.6
109.06500	13.8
109.10146	4.0
111.04403	1.3
111.08068	5.4
117.06967	2.0
118.28581	1.1
119.08568	8.8
120.04420	1.2
121.06497	1.7
121.10127	14.5
123.08085	6.7
123.11706	17.1
125.05954	1.8
127.03895	1.6
131.08562	1.6
133.06476	1.3
133.10115	7.7
135.08041	1.9
135.11699	2.0
137.05940	3.9
137.09608	31.1
137.13181	2.2
139.03899	1.5
145.10121	2.9
147.08035	3.1
147.11678	18.1
149.09599	7.4
149.28745	1.1
151.07515	3.1
151.11195	1.8
161.09631	4.8
161.13242	8.1
163.11165	11.8
165.12737	100.0
166.13080	3.9
171.11674	3.6
174.10391	3.0
175.07506	1.2
179.10699	2.2
179.14302	7.0
181.04958	3.4
189.09045	2.6
189.12723	18.5
197.07071	1.8
207.10309	2.1
207.13771	63.4
208.14056	2.1
219.10040	1.2
225.06509	1.9
225.11128	4.1
225.14722	2.4
233.08127	1.2
239.08095	3.9
245.12843	4.4
253.09734	3.0
257.09213	1.4
267.07623	3.3
271.10748	2.1
281.09207	3.0
298.56815	1.2
299.06821	1.0
299.10007	6.2
301.91754	1.1
309.08694	4.2
327.09659	8.3
333.13138	2.2
345.10788	16.8
351.14136	2.4
355.09039	1.4
369.19073	1.1
373.10184	12.3
387.11649	1.7
405.12668	6.6
411.70004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57778	1.2
52.79707	1.0
53.10723	1.2
55.05493	2.9
57.03422	2.2
57.07075	1.6
59.04992	1.7
60.68865	1.1
61.02917	3.1
67.05489	3.0
69.03068	2.4
69.03421	32.2
70.89017	3.8
71.04964	1.9
73.02901	2.0
79.05482	1.5
79.35252	1.2
81.03402	4.8
81.07020	3.6
85.02898	18.4
91.03931	1.5
91.05489	7.4
93.07022	3.7
95.04953	2.4
95.08600	6.9
97.02870	5.9
99.04431	1.6
105.07011	7.2
107.08592	4.6
109.02865	3.2
109.06505	20.6
109.10154	3.5
111.08109	1.8
119.08567	12.1
121.06512	2.6
121.10136	24.7
123.08092	12.9
123.11681	2.0
125.05928	1.7
127.03899	5.5
129.06996	2.7
131.08574	20.9
133.06451	3.6
133.10097	2.4
135.08008	2.4
137.05931	1.6
137.09605	12.5
143.08601	2.2
145.04967	2.8
145.10104	2.6
147.08040	18.5
147.11664	3.2
149.09631	7.2
151.07532	100.0
151.11137	2.3
152.07857	2.3
156.09337	2.6
159.11703	1.9
161.09592	3.1
161.13237	5.1
163.11177	27.2
164.11554	2.3
165.12723	7.9
171.11687	8.8
181.04970	2.0
189.12715	38.3
190.12976	1.8
202.99774	1.2
207.13786	95.6
208.14207	4.2
225.10143	1.8
225.14891	9.7
231.13809	4.2
239.08139	4.4
241.12422	2.3
245.12813	4.3
252.09337	2.7
253.09705	4.4
257.09125	1.6
267.07562	1.6
271.10837	2.8
281.09256	2.5
293.09503	1.3
299.10162	4.5
309.08710	5.5
326.60104	1.4
327.09698	7.2
345.10733	20.9
351.17844	1.3
355.09143	2.4
369.18979	20.8
373.10422	9.8
405.12823	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05502	4.2
65.22926	1.3
67.05495	1.8
69.03403	1.9
69.98074	7.4
71.04983	2.6
77.89391	1.3
79.05476	2.3
81.07057	6.2
83.04974	5.1
83.08607	2.1
85.02903	15.3
85.06533	3.1
91.05471	3.6
93.07027	4.3
95.04953	3.7
95.08588	5.3
97.02845	1.7
97.06502	3.9
98.20843	1.9
99.04440	3.0
105.07014	5.8
107.05003	1.2
107.08602	7.6
107.09207	1.6
109.06500	18.3
109.10137	3.4
111.08051	14.5
114.01541	1.3
117.07002	1.4
119.08578	9.0
121.06447	1.9
121.10133	12.0
123.04430	1.7
123.08060	6.6
123.11694	13.3
125.05924	1.5
128.08229	1.5
131.08511	1.9
133.10153	3.9
135.07967	2.2
137.05978	1.7
137.09598	19.3
145.10130	2.0
147.08049	1.7
147.11684	16.9
149.09589	8.3
151.07516	2.4
156.09248	2.0
161.09644	3.3
161.13255	6.1
163.11119	2.7
165.09142	1.6
165.12746	41.9
165.68971	1.4
166.13068	1.5
167.07019	5.2
171.11674	5.0
174.10307	1.8
175.61873	1.4
179.14273	3.5
182.54912	1.5
189.12709	14.7
197.07140	2.4
207.13783	100.0
208.14166	4.3
211.08707	2.9
212.14418	1.5
225.06577	3.9
225.10199	4.8
225.14864	2.4
239.08167	7.8
245.12807	11.3
247.27722	1.5
253.09669	9.1
257.09155	3.7
267.07635	4.5
271.10800	4.3
281.09061	11.0
285.08774	2.5
299.10263	12.9
309.08679	16.4
311.10196	2.8
317.11307	2.2
327.09686	20.6
329.11383	2.6
337.08060	2.9
345.10760	31.1
345.14703	2.6
355.09076	9.4
363.15921	1.6
373.10272	22.6
405.12811	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	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05508	0.6
57.92980	0.5
66.27373	0.5
67.05491	1.3
69.03419	1.4
70.19632	1.8
71.04966	0.6
76.99132	0.4
79.05492	1.0
81.03394	0.5
81.07044	1.9
83.04968	2.4
85.02896	3.8
91.05447	0.9
93.07020	1.6
93.13930	0.4
95.04951	1.4
95.08591	3.3
97.02900	1.1
97.06519	1.7
98.97588	0.6
99.04478	0.6
99.08077	0.6
105.07023	1.3
107.08569	1.6
109.06516	1.7
109.10163	0.8
111.04438	0.9
111.08086	0.5
119.08548	2.0
121.06474	0.6
121.10135	4.0
123.08054	100.0
124.08383	1.9
125.05972	0.7
127.03929	0.7
133.10121	0.9
135.11690	1.4
137.05946	1.0
137.09607	0.7
137.14391	0.4
145.10120	1.5
147.11688	1.7
149.09622	1.6
151.11142	2.2
161.09549	0.5
163.11168	1.5
165.12727	0.6
167.07043	0.6
167.10686	1.5
171.11716	0.5
181.04973	0.6
181.12202	12.6
189.12682	0.7
197.07085	2.1
199.08646	0.6
207.09941	0.6
207.13739	4.1
211.08688	1.8
213.10179	0.5
225.06586	3.1
225.10271	1.5
225.14833	20.2
239.08171	5.8
240.08958	0.6
243.07668	0.8
245.12849	4.5
253.09695	3.1
255.07808	0.5
255.11238	0.9
257.05518	0.7
257.09180	2.3
267.07635	2.6
271.10678	1.8
273.08630	0.8
281.09195	3.8
285.08673	1.9
289.11780	0.7
297.08649	0.6
299.10208	6.5
309.08719	4.4
311.10239	1.3
327.09698	9.0
329.11356	1.6
337.07941	1.1
345.10785	16.7
351.14410	0.6
355.09152	1.9
373.10284	17.6
387.11838	1.1
405.13007	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69487	0.6
53.03948	1.2
55.05503	2.4
56.96568	0.7
57.07073	1.3
65.03923	0.9
67.05504	2.0
69.03421	1.2
69.07069	3.5
70.79732	1.0
70.80082	1.3
75.73055	0.5
79.05487	24.9
80.05025	0.7
81.06570	1.2
81.07049	23.4
83.04981	1.0
83.08617	1.7
85.02897	2.4
91.05466	6.3
93.07037	9.4
95.04967	2.2
95.08595	3.1
97.02891	0.7
97.06527	11.2
97.07130	1.1
100.11230	1.0
103.05474	0.7
105.07021	7.9
107.04955	5.2
107.08584	22.0
108.08089	0.6
108.08940	0.7
109.02867	0.8
109.06528	1.4
109.10136	1.0
111.04458	1.0
111.08057	0.8
114.09148	0.7
119.08572	7.3
121.06496	0.7
121.10130	6.8
125.05984	80.1
126.06369	1.7
131.04942	0.6
131.08557	1.6
133.06461	2.6
133.10115	4.5
135.08069	1.4
135.11647	4.9
137.05965	4.7
139.03900	2.8
139.07526	3.2
143.08537	1.0
145.10152	1.5
147.04382	1.3
147.08017	2.7
147.11674	1.2
149.09570	0.6
151.07532	8.7
153.01814	1.1
153.09122	0.8
159.11649	1.2
161.05899	1.0
161.13248	26.1
162.13591	1.0
163.03874	0.9
163.14796	1.3
165.05351	0.7
165.09105	1.6
167.07059	2.4
168.07404	0.8
171.11662	1.5
179.10704	1.7
179.14305	5.4
187.06960	0.6
187.14821	0.9
189.12743	20.0
190.13086	1.2
200.05202	0.7
207.13789	100.0
208.14149	3.4
219.10133	1.1
227.05780	0.9
242.08145	4.3
299.09210	0.7
299.65634	0.6
305.93918	0.7
360.96463	0.7
370.30313	0.6
387.10684	1.8
404.18231	4.2
404.30386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.5
55.01863	7.7
55.05285	2.8
55.05504	28.7
56.35888	2.5
56.96553	5.0
57.03432	23.8
57.07053	6.4
65.03915	2.9
67.05167	3.9
67.05502	61.3
69.03408	4.6
69.07057	21.4
71.04972	4.4
71.08619	22.5
71.63316	4.3
71.63668	4.8
72.35897	2.9
79.05484	47.3
81.07046	79.1
83.04956	11.7
83.08602	16.2
85.02886	3.4
85.06532	3.2
91.05468	37.8
92.05807	3.1
93.07041	70.1
94.07360	3.4
95.04935	12.3
95.08595	46.1
97.06502	10.9
97.10140	10.7
99.08096	28.4
101.01085	2.7
105.07014	31.5
107.04934	4.1
107.08582	41.6
107.70915	2.7
109.06482	9.1
109.10136	13.2
111.08046	6.3
113.09675	2.8
117.07005	10.8
118.24033	2.4
119.08575	28.5
121.06458	3.4
121.10135	19.6
123.08018	3.3
123.11689	6.1
125.09619	9.7
129.06964	8.6
131.08553	23.5
132.05544	3.3
133.10120	24.6
135.08049	4.5
135.11681	15.7
139.11195	4.0
142.07715	4.2
143.08543	10.9
145.10117	29.7
147.11664	11.2
149.09595	4.3
149.13248	23.7
151.11122	17.0
157.10089	11.4
158.15858	2.8
159.11671	31.2
161.13248	12.6
163.11168	8.1
169.10048	3.5
170.10858	4.7
171.11662	8.6
173.11694	8.6
173.13232	9.7
175.14771	6.4
177.12756	19.7
177.16316	2.9
179.14265	7.3
183.11664	7.7
185.13222	7.8
187.14804	27.7
189.11246	7.1
195.13794	9.8
197.13284	4.1
199.14803	7.6
201.12653	4.1
201.16365	10.5
203.14195	3.3
213.16460	5.0
215.14212	3.5
216.14714	3.8
218.69865	2.7
223.14839	2.6
227.12749	4.8
227.17844	4.6
237.16345	5.5
241.19542	7.4
251.16292	2.9
253.17894	3.7
259.20560	8.9
269.17468	100.0
270.17676	6.4
277.21686	19.5
281.10474	5.6
299.11652	4.1
324.27808	2.7
351.25259	34.0
367.17838	7.5
386.23776	4.8
387.30157	8.1
404.25302	4.8
405.26505	4.8
405.31375	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.5
55.01863	7.7
55.05285	2.8
55.05504	28.7
56.35888	2.5
56.96553	5.0
57.03432	23.8
57.07053	6.4
65.03915	2.9
67.05167	3.9
67.05502	61.3
69.03408	4.6
69.07057	21.4
71.04972	4.4
71.08619	22.5
71.63316	4.3
71.63668	4.8
72.35897	2.9
79.05484	47.3
81.07046	79.1
83.04956	11.7
83.08602	16.2
85.02886	3.4
85.06532	3.2
91.05468	37.8
92.05807	3.1
93.07041	70.1
94.07360	3.4
95.04935	12.3
95.08595	46.1
97.06502	10.9
97.10140	10.7
99.08096	28.4
101.01085	2.7
105.07014	31.5
107.04934	4.1
107.08582	41.6
107.70915	2.7
109.06482	9.1
109.10136	13.2
111.08046	6.3
113.09675	2.8
117.07005	10.8
118.24033	2.4
119.08575	28.5
121.06458	3.4
121.10135	19.6
123.08018	3.3
123.11689	6.1
125.09619	9.7
129.06964	8.6
131.08553	23.5
132.05544	3.3
133.10120	24.6
135.08049	4.5
135.11681	15.7
139.11195	4.0
142.07715	4.2
143.08543	10.9
145.10117	29.7
147.11664	11.2
149.09595	4.3
149.13248	23.7
151.11122	17.0
157.10089	11.4
158.15858	2.8
159.11671	31.2
161.13248	12.6
163.11168	8.1
169.10048	3.5
170.10858	4.7
171.11662	8.6
173.11694	8.6
173.13232	9.7
175.14771	6.4
177.12756	19.7
177.16316	2.9
179.14265	7.3
183.11664	7.7
185.13222	7.8
187.14804	27.7
189.11246	7.1
195.13794	9.8
197.13284	4.1
199.14803	7.6
201.12653	4.1
201.16365	10.5
203.14195	3.3
213.16460	5.0
215.14212	3.5
216.14714	3.8
218.69865	2.7
223.14839	2.6
227.12749	4.8
227.17844	4.6
237.16345	5.5
241.19542	7.4
251.16292	2.9
253.17894	3.7
259.20560	8.9
269.17468	100.0
270.17676	6.4
277.21686	19.5
281.10474	5.6
299.11652	4.1
324.27808	2.7
351.25259	34.0
367.17838	7.5
386.23776	4.8
387.30157	8.1
404.25302	4.8
405.26505	4.8
405.31375	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09679	2.8
53.03924	5.8
55.01849	10.2
55.05505	53.2
56.61500	2.6
56.96554	7.6
57.03420	5.0
57.07062	4.1
59.05001	3.6
60.58205	3.2
61.02911	3.6
62.22540	2.7
65.03949	3.9
65.88859	2.8
67.05164	5.3
67.05497	68.3
69.03384	3.9
69.07057	40.8
69.39750	14.3
69.40186	14.4
71.04975	12.5
74.91401	2.5
78.17612	3.0
79.05047	4.2
79.05481	52.5
81.03393	4.0
81.07046	81.5
83.04971	6.3
83.08606	32.9
85.02873	5.5
85.06544	7.0
91.05465	81.5
93.07029	66.6
95.04948	14.0
95.08597	53.2
96.08924	3.4
97.06496	12.9
97.10150	11.2
98.20598	3.8
103.05440	6.2
105.04507	3.5
105.06369	6.1
105.07018	71.1
107.04926	10.0
107.08574	39.1
109.06500	8.5
109.10152	15.7
111.08046	10.0
115.05442	8.7
117.06996	54.9
119.04937	3.0
119.08570	44.2
121.06499	7.6
121.10114	30.9
123.08054	14.1
123.11679	6.2
125.09599	5.4
128.06187	11.9
129.06982	61.3
129.09081	5.3
130.07787	4.1
131.08553	100.0
132.08846	3.4
133.06464	8.9
133.10118	26.1
135.08015	9.4
135.11661	11.6
137.09627	5.6
139.11153	6.0
141.06987	15.7
142.07800	6.7
143.08545	45.6
144.09415	2.7
145.06419	8.0
145.10109	46.2
147.08029	12.3
147.11647	13.4
149.09578	10.7
149.13194	3.4
155.08531	35.5
156.09319	3.4
157.10120	30.9
157.12141	3.4
159.08022	8.5
159.11650	21.8
161.09508	3.9
161.13196	7.9
163.11150	8.4
165.12677	3.7
167.08562	12.5
169.10127	26.2
171.08035	4.5
171.11690	18.9
173.09631	5.2
173.13220	10.8
175.09631	6.3
175.11148	4.7
175.14809	5.9
177.12730	8.5
179.08540	7.1
181.10091	16.3
183.11661	16.8
183.50728	3.2
185.09601	4.8
185.13179	15.8
187.11143	6.8
187.14778	12.7
189.12689	3.9
189.16266	4.5
193.10150	7.5
194.82945	3.5
195.11636	18.5
197.13271	10.4
199.11098	4.2
199.14819	6.3
201.12727	6.0
201.16321	3.5
203.12631	6.0
203.14362	5.2
205.15834	4.2
207.11559	9.5
207.13644	4.2
209.13211	14.7
211.14787	9.9
213.12758	6.7
213.16351	5.2
215.14325	5.1
221.13190	13.0
221.15152	3.5
223.14725	19.8
225.12709	3.9
229.15776	5.3
233.13281	4.7
233.15324	19.5
235.14827	9.5
236.15161	3.3
237.16354	5.6
239.14272	7.7
241.15880	4.9
245.15422	5.6
247.16925	7.7
249.16309	4.7
253.15843	7.4
255.09045	5.5
255.17603	4.2
257.15265	9.9
259.16913	8.4
271.16846	13.3
274.11426	2.8
285.09998	5.4
292.05841	3.8
292.12454	3.9
303.00388	3.1
305.22583	3.6
323.23517	6.4
333.22095	21.2
341.24884	14.7
351.19162	5.5
351.23145	56.9
359.25766	5.9
365.16553	5.7
369.24191	37.1
387.25290	47.8
387.30136	6.3
405.22012	4.4
405.26480	13.9
405.31232	34.1
405.35754	4.9
406.35110	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	405.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03930	2.0
55.05501	6.3
56.42270	0.7
57.03418	1.4
57.07063	2.5
60.04506	1.0
65.03935	1.3
67.05495	9.8
69.03435	0.7
69.07058	8.6
71.61795	0.8
71.62175	0.9
77.03925	0.8
79.05047	1.1
79.05485	16.5
81.07048	24.1
83.04967	1.4
83.08609	4.3
85.06546	0.8
91.04886	1.0
91.05470	22.8
93.07036	35.7
93.29810	0.7
95.04960	3.8
95.08598	30.5
96.08934	1.1
97.06512	1.7
97.10177	1.6
98.21116	1.0
99.08115	0.7
102.13814	0.6
103.05455	1.4
105.04507	0.7
105.07020	26.4
106.07867	0.8
107.04976	3.7
107.08582	65.9
108.08903	1.3
109.06520	4.2
109.10147	12.3
111.08082	1.6
115.05427	0.8
116.06164	1.1
117.07012	5.2
119.08572	31.3
121.06498	2.3
121.10135	39.6
122.10454	0.9
123.08051	2.8
123.11700	8.5
128.06242	1.5
129.06978	4.1
130.07762	1.2
131.08549	15.8
131.09503	1.2
133.06570	1.6
133.07549	0.9
133.10115	19.0
134.10434	0.8
135.08018	2.6
135.11668	12.6
137.05949	1.2
137.09636	1.6
137.13234	3.9
141.06987	2.1
142.07761	3.0
143.08572	8.9
144.09288	0.8
145.06488	1.5
145.09187	0.5
145.10106	22.4
147.08032	2.1
147.11659	11.6
149.09610	26.3
149.13246	10.9
151.11176	3.4
151.14790	2.3
155.08540	4.1
156.09253	3.5
157.10106	12.1
158.10854	1.4
159.08076	1.7
159.11687	15.4
160.12053	0.8
161.09621	2.1
161.13266	6.0
163.11147	2.3
163.14816	4.2
165.06894	1.5
167.08574	1.7
168.09346	1.2
169.10100	6.6
170.10933	1.6
171.11679	12.3
172.12315	0.8
173.09642	1.9
173.13281	8.6
175.11160	1.9
175.14812	7.2
177.12720	5.7
177.16370	1.9
179.08537	1.5
179.14343	1.1
180.09378	0.8
181.10103	2.8
182.10866	1.3
183.11720	8.3
185.13246	9.6
186.13995	5.5
187.11124	1.0
187.14798	13.3
188.15152	0.8
189.12715	1.5
189.16360	8.6
191.18034	1.0
192.09293	1.1
193.10083	3.8
194.10841	1.8
195.11662	5.8
196.12550	1.3
197.13226	6.8
198.13942	1.1
199.11176	2.3
199.14806	14.5
201.12753	2.8
201.16336	6.6
203.14343	2.9
203.17928	2.3
205.15845	1.7
207.11623	2.6
208.12546	1.1
209.13255	5.2
210.13962	1.2
211.11195	1.6
211.14809	6.3
213.12755	1.3
213.16351	11.1
214.17203	3.4
215.14339	4.0
215.17920	3.9
217.16075	1.5
217.19661	0.8
219.11665	1.4
220.12428	1.1
221.13306	2.9
222.13911	1.8
223.14777	4.2
225.12671	1.5
225.16327	4.9
226.17145	0.9
227.14246	1.1
227.17914	4.2
229.15842	2.2
229.19496	18.4
231.11571	0.7
231.17508	1.0
233.13165	1.4
234.14044	1.5
235.14825	3.7
236.15594	1.5
237.16309	3.3
239.17979	4.2
240.18544	0.8
241.15894	1.3
241.19476	16.9
242.20041	0.8
243.17535	1.2
243.20956	1.0
245.13055	0.8
247.14798	1.4
249.16376	5.0
251.17949	9.6
253.15828	1.6
253.19473	4.3
255.17386	2.0
255.21078	11.4
256.21744	4.8
257.19846	1.0
257.22552	6.1
259.14694	0.9
261.16351	1.3
262.17096	1.1
263.17850	3.6
265.19434	5.3
267.17429	3.8
267.20969	1.4
268.18262	0.7
269.18976	5.0
271.14792	0.8
271.20389	0.8
273.16318	1.0
275.17841	1.6
277.19647	1.3
279.21097	1.6
281.19171	1.4
283.20859	1.1
289.19388	1.8
291.17484	0.7
291.21021	1.6
295.20773	0.9
297.22305	0.9
303.21124	1.2
317.22607	1.4
321.22119	1.0
329.22647	3.0
331.24255	2.6
333.25626	1.2
344.25085	4.1
345.25833	2.4
347.27417	0.9
349.25027	1.8
357.25726	2.8
362.26056	1.7
363.26746	1.9
372.28131	3.0
377.32062	2.5
387.30411	28.8
388.30896	1.4
405.31488	100.0
406.31754	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	405.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01864	1.0
55.05506	4.8
56.96548	1.0
57.07062	1.9
58.08856	0.8
67.05173	0.8
67.05500	11.9
69.03416	2.7
69.07060	7.5
71.08623	1.3
71.61885	0.9
74.91688	0.6
79.05480	9.5
81.03425	0.8
81.07047	20.7
83.04984	1.3
83.08597	2.6
85.06510	1.1
87.25488	0.7
91.05476	12.3
93.07034	18.2
95.04951	3.2
95.08595	30.4
96.08916	0.8
97.06519	3.6
97.10138	1.6
99.08068	2.4
103.05428	0.8
105.07018	27.9
107.04938	2.3
107.08582	24.2
108.08850	1.0
109.06524	4.1
109.10143	15.5
111.08065	2.2
115.05392	1.6
117.06978	7.2
118.93118	0.6
119.08566	52.0
120.08909	0.8
121.06517	3.1
121.10124	19.4
123.08032	3.0
123.11701	5.3
125.09628	4.1
127.07548	0.7
128.06218	2.3
129.06999	5.7
130.07756	2.7
131.08543	25.0
133.10118	20.5
135.08044	3.5
135.11674	6.6
137.06029	0.7
137.09604	2.2
137.13232	2.5
139.11130	0.8
141.06937	1.7
142.07800	3.8
143.07460	1.2
143.08545	14.9
144.09309	2.9
145.10106	61.2
146.10426	0.9
147.07976	1.5
147.11661	14.7
149.09605	6.4
149.13246	6.4
151.11159	1.8
155.08517	6.2
156.09343	5.0
157.10121	19.7
158.10898	3.5
159.08052	1.2
159.11678	31.0
161.09579	2.2
161.13243	9.7
163.11182	2.0
163.14836	5.0
165.06952	0.7
167.08577	1.7
168.09299	1.4
169.10089	8.3
170.10857	3.2
171.11661	22.7
172.12372	1.4
173.09721	1.5
173.13252	36.7
174.13692	1.0
175.11172	2.2
175.14828	11.6
177.12762	2.5
177.16405	4.0
179.08591	0.9
181.10107	2.9
182.10873	1.9
183.11691	14.3
184.12415	1.5
185.13242	22.3
186.13556	1.2
187.11317	1.5
187.14799	67.8
188.15155	2.0
189.12758	1.8
189.16362	5.6
191.14276	1.5
191.17882	1.5
193.10072	1.6
195.11685	3.7
196.12427	1.6
197.13229	12.0
198.13864	1.1
199.11243	1.3
199.14799	19.5
200.15292	0.7
201.12729	2.5
201.16374	24.8
202.16696	1.3
203.14310	3.9
203.17906	2.2
205.15849	8.8
207.11639	1.9
207.17407	0.7
209.13242	6.1
210.13834	1.1
211.14806	8.7
213.16338	14.0
215.14314	2.4
215.17958	4.0
217.15881	2.0
217.19542	1.1
219.11526	1.2
219.17366	1.1
221.13200	2.6
222.14050	0.9
223.14810	3.7
225.16359	6.0
227.17920	5.5
229.15839	1.9
229.19511	2.2
231.09253	0.7
231.17433	4.2
233.19054	0.8
235.14891	1.5
237.16351	4.9
239.17902	6.4
241.15820	1.9
241.19426	3.7
243.17473	1.1
247.14810	1.0
249.16422	2.3
250.17065	1.0
251.18024	5.4
253.15865	1.5
253.19391	3.3
255.17447	0.8
255.21036	2.2
261.16312	1.3
263.17990	2.7
265.19501	4.2
267.17517	1.5
267.21078	2.6
268.21176	0.8
269.10483	3.9
269.19012	1.1
275.17938	1.0
277.19495	1.8
279.21054	2.4
281.19183	1.2
281.22641	2.0
285.10065	1.4
287.11752	1.5
291.20981	2.2
292.12262	0.8
293.22650	1.1
295.20755	1.1
297.22165	0.9
303.20966	2.1
307.24146	1.3
309.22171	1.2
317.22693	2.6
319.23953	1.0
321.25717	1.5
331.24112	1.6
333.25745	2.1
335.23669	2.4
345.26062	1.2
347.27374	1.4
349.25134	1.5
363.26733	1.1
365.16309	0.8
369.24213	1.6
375.30548	1.2
377.31967	2.5
383.17300	1.0
387.25439	1.4
387.30417	13.8
388.30902	1.4
405.26987	4.7
405.31479	100.0
406.31702	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3511
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
55.05507	11.9
57.07067	3.7
67.05489	20.5
69.03436	2.5
69.07070	21.7
71.08631	2.4
71.62547	2.4
79.05489	12.9
80.62440	1.7
81.07043	39.4
83.08601	9.4
84.97666	1.9
85.06519	2.8
87.84744	1.9
91.05468	16.2
93.07029	25.4
95.04945	2.7
95.08592	54.2
97.10148	2.7
105.07022	26.8
107.08579	63.8
108.08885	1.8
109.06516	3.4
109.10137	31.7
117.07005	3.7
119.08567	35.6
121.10126	51.4
123.08103	2.2
123.11691	25.2
123.12432	2.0
125.00038	2.5
125.09681	2.0
131.08580	12.2
133.10114	61.1
135.11674	21.9
137.13292	7.6
141.07054	2.4
143.08572	7.0
145.10127	18.5
147.11693	23.6
147.12767	2.3
149.09625	2.9
149.13251	27.2
156.09311	2.1
157.10107	10.8
158.10948	3.5
159.11693	22.7
161.13254	14.8
163.14813	7.1
169.10138	4.2
171.11702	13.4
173.13257	14.4
175.14836	13.9
177.16420	6.5
183.11711	8.7
184.07405	8.7
185.13223	16.8
187.14806	16.2
189.16344	14.2
197.13306	5.5
199.14912	6.9
201.16423	10.1
203.18040	8.1
211.14917	6.0
213.16356	4.6
215.17802	9.1
217.19507	3.7
223.14828	3.3
225.16371	4.1
227.18034	4.0
229.19563	11.1
239.17880	3.2
241.19589	6.2
243.21167	3.6
253.19601	6.1
255.21072	6.0
257.22794	2.4
267.21158	6.3
269.22781	6.8
271.24100	2.0
281.22635	4.3
283.24326	3.9
295.24170	2.9
297.25897	4.3
307.24155	3.3
323.27283	2.6
335.27298	5.1
387.25366	5.2
405.31274	10.0
405.35373	100.0
406.12396	2.2
406.35968	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	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.0
55.05492	1.2
56.05040	3.5
57.03435	3.1
58.99580	6.3
68.05019	0.9
69.07066	1.1
69.28805	1.4
69.29220	3.2
70.02938	0.5
72.08135	0.7
73.01134	1.3
74.00642	1.4
74.02417	0.5
75.04095	0.5
76.02222	14.7
76.03982	1.7
79.05491	2.8
80.05006	0.9
81.07047	13.0
83.06073	1.0
84.04499	18.8
84.05012	0.9
84.08134	0.6
85.01131	2.5
86.00641	3.1
86.99041	5.0
87.02686	3.4
88.02197	1.2
94.06561	0.8
95.08585	2.3
97.01105	0.7
97.06512	1.6
97.87899	0.4
98.09681	10.1
98.21254	2.1
99.05553	0.7
99.08088	4.2
102.05524	3.9
103.05728	0.5
105.07002	1.1
110.09619	1.1
111.08125	0.4
111.47810	0.6
112.03941	2.6
113.04215	5.0
115.05752	1.5
116.01665	16.1
122.09677	1.1
123.08060	0.8
127.05793	1.1
129.06564	3.2
129.07329	1.0
130.05013	5.7
130.05853	0.8
130.06842	3.0
130.08609	1.4
139.05733	1.8
142.03159	1.4
143.02740	0.8
144.01123	6.4
145.06075	1.4
153.06473	0.5
156.08401	16.7
156.10172	8.0
157.06807	6.3
160.00531	0.6
162.02185	17.6
170.02652	0.6
174.09471	12.1
179.04817	9.0
187.05309	0.8
189.03290	1.3
210.11223	2.8
216.06883	4.2
221.72670	0.5
227.09048	0.4
233.05907	1.7
245.05911	0.9
259.11093	100.0
260.09134	0.9
260.11395	1.9
266.78635	0.5
277.12146	1.5
285.12695	2.4
291.06287	0.8
308.08896	1.2
313.12177	3.6
331.13181	5.9
349.39288	0.5
387.28989	0.5
388.15341	1.5
406.16473	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	406.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.9
56.96559	34.6
67.05508	3.0
68.63905	1.7
69.07066	4.0
71.60924	1.6
71.61289	1.7
71.95228	2.6
74.97617	1.5
79.05458	2.3
79.60000	1.6
81.03418	2.1
81.07051	5.8
85.02925	1.8
91.03870	1.7
91.05501	2.1
93.07047	6.0
93.59518	1.7
95.08611	3.2
99.04456	1.7
104.96084	1.8
105.07025	4.4
107.08601	4.8
109.10105	2.5
110.80141	1.8
119.08595	4.9
120.08938	2.4
121.10158	3.1
128.98650	1.8
129.07045	1.8
131.08534	3.1
133.01729	2.3
133.10098	3.2
133.83495	1.5
134.10486	2.1
135.07993	2.0
143.08318	1.6
145.10135	3.8
146.10463	1.6
146.99649	5.2
147.03267	5.8
147.11662	2.6
157.10088	2.0
159.03336	2.4
159.11710	2.1
160.12038	2.1
165.04401	3.5
169.10094	1.9
171.03249	3.6
173.04832	6.5
173.13271	3.1
177.16444	1.8
178.25923	1.7
185.04857	1.6
185.13162	1.8
186.13446	1.8
187.02864	2.2
187.14787	2.4
189.04372	5.6
191.05943	3.3
197.13295	2.3
199.06450	4.4
201.08055	4.7
203.05937	5.2
207.05367	1.8
217.07475	5.8
219.08994	2.0
221.08476	2.5
229.07373	2.3
229.11310	2.4
231.08925	1.8
237.05946	2.1
237.07829	9.3
239.09573	3.6
243.09073	8.6
255.09026	100.0
257.10513	4.5
261.10028	5.2
265.07498	2.5
266.10675	2.5
267.08951	3.5
273.10071	80.5
278.10660	16.0
283.08551	7.3
285.10074	8.0
295.08572	1.9
296.11768	7.4
301.09534	4.4
313.09570	4.4
329.14285	7.0
347.15240	19.7
365.11710	3.7
365.16321	75.7
366.16711	4.1
370.17410	1.9
383.17337	55.0
384.17795	3.4
388.17810	6.3
401.18283	2.7
406.18805	13.7
406.22134	1.4
406.32068	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	406.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.9
56.96559	34.6
67.05508	3.0
68.63905	1.7
69.07066	4.0
71.60924	1.6
71.61289	1.7
71.95228	2.6
74.97617	1.5
79.05458	2.3
79.60000	1.6
81.03418	2.1
81.07051	5.8
85.02925	1.8
91.03870	1.7
91.05501	2.1
93.07047	6.0
93.59518	1.7
95.08611	3.2
99.04456	1.7
104.96084	1.8
105.07025	4.4
107.08601	4.8
109.10105	2.5
110.80141	1.8
119.08595	4.9
120.08938	2.4
121.10158	3.1
128.98650	1.8
129.07045	1.8
131.08534	3.1
133.01729	2.3
133.10098	3.2
133.83495	1.5
134.10486	2.1
135.07993	2.0
143.08318	1.6
145.10135	3.8
146.10463	1.6
146.99649	5.2
147.03267	5.8
147.11662	2.6
157.10088	2.0
159.03336	2.4
159.11710	2.1
160.12038	2.1
165.04401	3.5
169.10094	1.9
171.03249	3.6
173.04832	6.5
173.13271	3.1
177.16444	1.8
178.25923	1.7
185.04857	1.6
185.13162	1.8
186.13446	1.8
187.02864	2.2
187.14787	2.4
189.04372	5.6
191.05943	3.3
197.13295	2.3
199.06450	4.4
201.08055	4.7
203.05937	5.2
207.05367	1.8
217.07475	5.8
219.08994	2.0
221.08476	2.5
229.07373	2.3
229.11310	2.4
231.08925	1.8
237.05946	2.1
237.07829	9.3
239.09573	3.6
243.09073	8.6
255.09026	100.0
257.10513	4.5
261.10028	5.2
265.07498	2.5
266.10675	2.5
267.08951	3.5
273.10071	80.5
278.10660	16.0
283.08551	7.3
285.10074	8.0
295.08572	1.9
296.11768	7.4
301.09534	4.4
313.09570	4.4
329.14285	7.0
347.15240	19.7
365.11710	3.7
365.16321	75.7
366.16711	4.1
370.17410	1.9
383.17337	55.0
384.17795	3.4
388.17810	6.3
401.18283	2.7
406.18805	13.7
406.22134	1.4
406.32068	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01864	2.9
55.05515	3.0
55.44585	1.1
57.03418	2.0
58.12701	0.9
61.02918	3.2
65.03914	1.1
67.05495	7.5
69.03420	6.3
69.07053	2.4
69.68292	4.3
69.68716	2.7
70.26149	1.0
71.04980	6.7
73.02888	1.2
79.05477	8.7
81.03419	3.3
81.07040	6.6
83.04964	3.4
85.02895	18.4
85.06541	2.2
86.04046	1.2
87.04442	1.4
91.03944	1.2
91.05478	7.2
93.07029	24.2
95.04963	4.4
95.08604	3.3
97.02876	5.8
97.06530	3.9
99.04440	24.1
101.05998	2.8
103.05449	1.1
105.07019	20.9
106.07383	2.1
107.04967	2.2
107.08584	45.4
108.08942	1.5
109.02828	2.0
109.06517	4.7
109.10153	3.4
111.04442	2.1
111.08092	5.0
117.06997	4.3
119.08572	10.2
121.06517	10.7
121.10126	37.4
122.10454	1.2
123.08073	2.4
125.05896	1.1
127.03896	5.2
130.07698	1.2
131.08556	6.5
133.10127	2.0
135.08061	7.4
135.11699	11.7
137.05942	2.2
139.07475	1.7
143.08551	2.3
145.04939	4.9
145.10097	27.6
147.11659	4.4
149.05943	3.5
149.09613	8.8
149.13263	4.7
151.07535	1.5
151.11241	1.2
154.90700	1.0
155.08527	1.5
163.11163	74.9
164.11548	3.3
167.07025	4.9
167.10567	1.1
173.09595	8.9
173.13246	2.3
180.08682	2.7
181.04977	2.0
181.12212	23.2
191.10651	100.0
191.14233	6.5
192.11024	4.1
209.11716	33.7
209.15329	21.3
209.17325	1.2
214.78630	1.0
227.12750	85.3
228.13097	3.6
245.04462	1.5
335.78040	1.1
361.02280	2.0
379.03232	1.7
388.14996	1.3
406.13684	1.1
406.32120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
55.05499	2.1
57.03424	3.6
59.04996	1.5
61.02924	1.8
65.03931	0.9
67.05497	3.8
69.03420	5.9
69.07059	4.6
69.95025	1.0
70.06586	1.9
71.04981	6.2
71.13742	2.0
72.08125	1.3
79.05477	2.5
81.03414	1.8
81.07050	7.5
83.04961	3.0
83.08608	2.8
84.04503	1.3
85.02897	12.2
85.06528	2.4
86.09691	1.4
87.04449	1.4
91.05466	5.8
93.07042	10.0
95.04974	4.7
95.08597	8.0
96.08886	1.2
97.02898	2.9
97.06523	4.6
97.51012	1.0
99.04438	1.7
99.08102	1.6
105.07011	10.8
106.07288	1.2
107.04964	1.2
107.08584	16.3
108.08956	1.2
109.02805	1.8
109.06520	5.2
109.10135	10.4
109.81541	1.1
111.08075	3.1
115.07530	1.7
117.06997	1.2
119.08561	6.3
121.06508	2.5
121.10131	48.2
122.10480	1.7
123.08036	3.4
123.11701	7.1
125.09626	3.5
127.03936	1.7
131.08537	7.0
133.10110	35.9
135.08032	5.3
135.11639	5.5
137.05981	2.0
137.09590	3.9
139.11159	2.9
143.08580	1.1
145.04907	1.6
145.10109	3.5
147.04469	1.0
147.11682	9.5
149.09648	2.8
149.13254	7.1
151.11163	11.3
153.09132	2.9
155.08472	1.4
158.10861	1.6
159.11728	1.0
161.05940	1.2
161.09578	1.0
163.07539	1.4
163.11150	1.6
163.14847	7.4
165.12772	1.6
167.07037	3.6
167.14314	1.0
169.12230	1.8
173.13242	21.7
181.04936	3.2
181.08583	1.6
191.14279	40.9
192.14708	1.4
200.65527	1.2
202.15919	1.7
204.40105	1.1
209.15355	37.7
210.15657	1.6
213.10086	1.0
222.14828	2.5
222.49115	1.1
227.08200	1.9
227.16388	100.0
228.16815	3.9
237.10269	1.6
238.08710	1.1
240.08557	1.6
241.09694	1.7
245.04414	1.5
245.07788	2.7
245.17223	1.2
246.13152	1.6
247.12819	1.1
251.08034	1.4
252.19820	1.4
255.07631	1.9
255.11345	1.1
258.09662	1.7
259.11075	4.7
265.09784	2.9
266.08112	1.4
267.11111	1.8
269.09238	6.0
273.08694	1.8
279.07538	2.1
283.10651	2.2
284.09091	1.5
285.12326	1.3
293.09198	4.9
295.10556	1.1
297.08664	7.8
300.10663	2.7
311.10095	1.7
313.11807	1.7
315.09702	2.5
321.08765	1.4
325.11499	1.5
328.10019	4.3
329.11383	1.7
331.12604	1.4
333.10724	2.9
339.09662	5.5
346.11121	7.0
357.10678	4.8
371.12460	1.7
374.10416	5.3
375.11765	4.2
389.13403	19.5
390.11850	1.9
406.13040	3.2
406.26334	1.3
407.08087	1.0
407.13309	6.4
425.43567	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01855	1.7
55.05504	4.7
57.03432	2.1
61.02916	2.9
67.05502	2.5
69.03426	6.9
69.07058	5.0
69.97916	2.7
69.98328	3.1
70.06619	1.1
71.04981	3.8
76.02215	1.6
79.05469	9.4
81.03423	2.3
81.07051	12.6
83.04975	5.0
83.08599	2.7
85.02897	15.9
85.06513	1.3
86.09696	1.4
89.32108	1.2
91.03947	1.1
91.05468	8.9
91.55967	1.1
93.07040	10.9
94.65096	1.1
95.04980	2.8
95.08590	9.7
97.02888	5.0
97.06522	5.6
99.04454	1.7
103.05453	1.1
105.07011	18.7
107.08585	59.0
109.06510	17.9
109.10138	6.2
111.04457	1.1
111.08076	3.0
112.41039	1.1
116.01675	1.0
117.06993	1.1
119.08593	7.9
121.02896	1.9
121.06502	3.3
121.10139	23.0
122.07281	2.8
123.08035	5.1
123.11697	1.7
125.09614	2.8
127.03899	4.0
131.08565	10.2
133.10118	100.0
134.10457	2.3
135.08040	15.7
135.11662	2.5
137.05984	1.9
137.09612	21.5
137.13271	2.1
139.07516	6.7
143.08551	1.7
145.04936	4.5
145.10123	4.2
147.11667	6.8
149.09633	2.4
149.13268	9.8
151.11176	3.3
153.09122	3.1
156.08383	1.2
158.10909	2.8
163.06137	1.4
163.07526	14.3
163.11163	1.1
163.14790	6.1
167.07047	24.6
167.08395	1.7
167.14323	1.7
168.07362	1.4
173.13249	22.9
175.14842	3.7
178.05077	1.5
181.05113	1.1
181.15889	1.9
191.07047	3.7
191.14290	42.7
192.14688	1.5
209.08080	3.2
209.15341	22.0
227.09116	26.4
227.16412	2.1
244.16388	1.2
259.11060	8.6
269.09329	1.3
297.08682	3.8
315.09671	2.0
317.01089	2.0
339.09760	1.3
371.12186	1.3
389.13358	2.9
407.14444	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40575	1.2
53.03941	2.0
53.91711	1.2
55.01868	1.3
55.05491	3.2
59.04998	1.6
61.02906	1.6
64.13086	1.1
65.03935	1.2
67.05500	2.9
69.03425	5.6
69.07051	4.2
69.98006	4.9
69.98421	2.4
71.04974	3.3
76.02191	2.1
79.05492	6.2
81.03421	2.5
81.07050	9.9
81.17623	1.1
83.04967	2.7
83.08604	1.7
84.04494	2.8
85.02892	11.8
85.06525	1.5
86.09713	1.8
91.05473	7.3
93.07036	10.2
95.04977	1.8
95.08598	5.9
95.99141	1.0
97.02877	5.2
97.06528	5.6
98.97595	2.9
99.04433	1.4
104.04550	1.1
105.07027	17.9
107.08582	43.9
109.02904	1.8
109.06511	8.7
109.10154	5.4
116.01668	1.8
117.07025	2.3
119.08563	6.4
120.04445	1.1
121.02863	8.3
121.10133	16.9
122.07255	2.1
123.08060	4.1
124.03994	3.3
127.03925	2.5
131.08560	12.4
133.10121	100.0
134.10406	1.8
135.08052	5.1
135.11685	3.4
137.05891	1.3
137.09601	20.3
143.08760	1.2
145.04987	3.0
145.10118	5.3
147.04379	1.4
147.11696	7.3
149.09589	1.8
149.13235	11.1
151.11111	1.7
152.07082	1.3
156.08344	1.4
157.10170	1.1
158.10971	2.0
159.93683	1.2
161.13310	1.2
162.05481	1.4
163.06117	1.7
163.07547	2.0
163.11188	1.9
163.14818	3.3
167.07048	3.4
173.13260	31.4
175.14795	1.2
178.04985	1.5
188.03363	1.8
191.10692	2.4
191.14291	43.8
209.11877	6.0
209.15375	5.9
213.10228	1.3
214.89230	1.2
227.08264	2.5
229.09760	1.7
237.10225	4.2
241.09737	4.1
243.11290	2.2
250.07112	1.8
251.08095	2.0
255.07571	2.6
257.09113	1.4
259.11072	7.3
265.09738	4.1
267.11230	1.6
268.07983	1.3
269.09174	9.4
271.10699	3.3
273.08728	1.6
279.07669	5.2
283.10632	3.6
283.13589	1.3
293.09280	4.9
297.08691	14.0
299.10507	2.0
301.11844	2.5
311.10291	2.6
315.09802	5.9
317.11295	2.7
319.13016	1.7
321.08630	2.6
323.11731	1.6
325.11630	1.8
329.11319	2.4
333.10779	4.4
339.09668	7.2
345.10822	3.6
347.11942	1.3
357.10895	2.6
365.12775	1.2
371.12262	3.0
375.11871	2.7
389.13452	25.4
406.17023	1.6
407.14410	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
55.05503	5.5
56.05024	4.2
56.96547	2.3
57.03428	4.1
58.99573	8.2
65.00745	2.2
67.05490	6.0
69.03407	7.8
69.07069	4.4
69.97907	7.5
69.98328	4.8
70.27945	2.3
71.04976	6.8
72.08144	3.6
74.00666	2.1
76.02216	20.3
79.05486	8.9
81.03428	2.5
81.07059	24.0
82.53874	1.7
83.04978	4.5
83.08602	3.2
84.04494	20.1
85.01134	3.2
85.02889	12.7
85.06522	7.0
85.83173	2.3
86.00640	2.6
86.99056	5.3
87.02695	5.5
91.05460	13.2
93.07053	11.7
95.04947	5.9
95.08585	9.7
95.13558	1.8
96.08144	1.9
97.02870	2.8
97.06522	4.7
98.09681	9.2
98.20796	3.5
99.04444	3.6
99.08080	5.2
105.07018	25.7
107.08591	27.1
109.02827	2.1
109.06512	3.8
109.10139	3.7
111.04462	2.4
111.08071	2.2
112.03907	3.2
113.04208	3.5
116.01662	17.8
117.07013	2.9
118.03387	2.2
119.08567	28.1
121.10112	13.7
123.08044	3.0
123.11661	2.1
127.03915	2.5
130.04974	5.9
130.06831	4.0
131.08551	24.9
133.10118	73.2
134.10437	2.7
135.08058	4.9
135.11708	11.0
137.05956	3.3
139.03882	2.3
144.01122	7.4
145.04932	5.0
145.10065	12.8
147.11693	15.8
149.09615	5.1
149.13214	6.3
149.69537	2.4
151.11148	2.2
153.09062	2.1
156.08389	15.8
156.10223	6.0
157.06804	5.0
158.10928	7.9
162.02203	17.3
165.09151	2.3
167.07018	3.0
167.14281	3.5
173.13239	55.3
174.09509	10.4
175.14812	100.0
179.04852	7.3
191.10704	4.4
191.14279	34.0
193.12158	2.3
209.11714	10.2
209.15372	18.7
227.12769	13.8
227.16470	2.5
259.11096	68.5
259.13831	3.3
260.11517	3.6
285.12564	2.7
313.12091	3.5
329.10980	2.5
331.13138	3.1
389.13409	2.4
406.16342	2.3
407.14517	6.8
420.52698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
55.31259	0.7
57.03428	1.0
59.04977	0.9
61.02914	2.1
65.03914	0.8
67.05495	1.4
69.03427	4.9
69.07053	3.3
69.82618	5.0
71.04977	2.5
79.05480	1.3
79.61610	0.8
81.03416	1.4
81.07045	3.6
83.04957	3.3
85.02897	14.5
85.06537	1.5
91.05444	1.2
93.07037	9.1
95.04963	1.3
95.08036	1.4
95.08598	17.4
97.02875	4.3
97.06530	7.2
99.04486	1.4
99.08082	2.1
105.07027	5.1
107.08579	10.0
109.02859	1.4
109.06519	1.9
109.10143	6.2
111.08058	1.1
115.07553	1.1
117.07011	0.8
119.08558	2.6
120.04551	0.7
121.06515	1.4
121.10133	10.9
123.08063	2.0
123.11656	1.9
124.48455	0.7
125.09612	1.8
127.03884	3.8
131.08560	6.5
133.10115	100.0
134.10478	2.5
135.08038	3.1
135.11679	3.3
139.11185	2.0
143.08543	1.6
145.04941	4.7
145.10123	3.0
147.11679	5.1
149.09622	4.2
149.13257	6.0
151.11169	31.0
153.09064	0.8
158.10878	3.5
163.06009	2.8
163.14815	8.0
165.12807	1.0
167.07072	0.8
173.13251	37.4
188.03378	1.1
191.14288	70.5
192.14667	1.7
199.34932	0.8
209.15347	36.0
227.08203	0.8
227.16412	4.0
251.08073	1.3
259.11157	1.5
265.09698	1.2
269.09210	2.4
279.07620	1.1
284.09024	1.1
293.09186	1.0
297.08737	4.1
315.09692	1.7
321.08405	1.0
333.10886	1.0
339.09689	1.3
343.12701	1.0
357.11041	2.1
358.09573	0.9
371.12439	0.8
371.20554	2.9
389.13443	9.5
390.11823	1.3
407.07532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.7
57.03423	1.9
59.04985	2.6
67.05487	2.6
69.03417	1.8
69.07053	4.3
70.87210	1.9
70.87585	2.2
71.04968	1.3
72.08140	2.7
73.03909	1.2
79.05485	18.0
81.03378	2.1
81.07048	24.4
83.04962	1.5
84.04493	2.6
85.02888	5.8
91.05467	5.8
93.07037	11.9
95.04961	1.9
95.08602	9.6
96.08932	1.1
97.02853	2.1
97.06520	5.5
98.21480	1.6
100.11237	4.3
105.03340	1.7
105.07015	7.7
107.04947	1.7
107.08577	71.8
109.06528	3.1
109.10168	2.1
115.07558	2.1
116.44392	1.3
118.06527	1.1
119.08572	5.8
121.06429	2.0
121.10118	18.4
123.08086	2.9
125.09619	2.9
130.04944	1.6
131.08536	1.2
133.10147	6.6
135.08055	1.6
135.11681	5.0
137.05957	2.6
147.07741	1.2
147.11659	2.1
151.03864	1.2
151.07498	2.3
151.11255	1.9
161.13266	12.8
163.07579	1.7
163.14777	7.3
167.07024	7.5
168.07404	1.9
169.87225	1.3
173.13235	5.1
173.68884	1.3
179.14287	100.0
191.14265	22.8
193.15839	2.6
196.46207	1.0
209.15327	31.4
210.14880	1.7
233.12854	2.0
259.11093	1.4
317.01205	3.1
324.73721	1.4
361.04050	4.1
379.04886	3.8
384.05530	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	407.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01868	1.4
55.05496	1.2
67.05495	1.3
69.03416	1.9
69.07053	2.2
69.85836	3.0
69.86254	3.3
70.06572	2.0
71.04980	1.8
72.08165	1.3
79.05486	1.1
81.03403	1.2
81.07042	1.0
83.04965	1.4
85.02898	3.7
86.09701	2.0
89.19767	1.0
91.05462	2.7
93.07047	1.8
94.06573	1.0
95.04937	2.1
95.08584	1.6
96.04495	1.4
98.21464	1.9
98.97581	1.8
102.05779	1.0
105.07031	2.1
106.02901	1.8
107.08570	5.8
108.04469	1.3
109.02915	1.7
113.51250	1.1
116.98590	1.2
119.08577	2.2
120.04453	5.6
121.02843	2.8
121.10127	3.2
122.03233	1.2
124.03933	3.9
131.08562	1.3
132.61719	1.0
133.10141	3.1
134.06049	2.4
137.09700	1.1
138.05490	3.8
143.08569	1.4
145.10118	1.1
147.11664	1.6
149.13287	1.4
150.05504	1.9
152.07083	2.4
160.03885	1.0
162.05522	1.2
166.08723	1.1
169.04971	2.1
173.13268	2.3
176.07106	1.9
178.05009	6.9
181.04951	1.4
188.03436	7.1
189.10378	1.4
191.14308	1.9
196.06039	6.3
199.08652	2.9
201.10149	1.2
206.04515	2.6
209.10709	1.2
209.15408	1.4
211.13306	1.5
213.10219	3.6
214.08891	1.6
215.08223	3.6
217.09705	1.8
220.81950	1.2
221.74504	0.9
222.08020	1.5
223.08630	5.3
224.09511	1.4
225.10138	2.1
227.08070	13.7
227.11745	3.7
228.10139	2.1
229.06078	2.6
229.09720	4.2
231.11371	1.9
236.09616	1.1
237.10155	9.5
238.08554	1.3
238.10812	1.4
239.08194	1.9
239.11798	4.1
240.08923	1.4
240.12366	1.0
241.09686	14.3
243.07635	2.0
243.11317	5.1
245.09262	3.8
246.11272	1.7
251.08109	11.1
252.08739	1.8
253.09589	1.1
255.07582	9.1
255.11189	6.7
257.09171	3.2
257.12930	1.6
259.10843	1.3
261.08463	1.2
265.09689	16.0
266.10483	2.4
267.11139	3.1
268.08972	1.0
269.09174	34.1
271.10764	10.6
273.08725	10.6
273.12274	3.1
274.10889	1.4
279.07654	18.7
280.08209	2.4
283.10718	11.7
284.08966	2.2
285.12265	3.0
287.10083	2.9
289.11691	1.9
293.09164	21.7
295.10739	2.3
297.08713	47.2
298.09140	2.8
299.10187	8.9
301.11768	8.7
302.10013	2.8
305.10925	1.4
307.12115	2.4
311.10196	10.2
313.11829	4.4
314.09918	1.2
315.09668	19.8
317.11301	11.6
319.12769	7.1
321.08694	12.6
325.11761	7.1
329.11240	8.9
331.12933	1.9
333.10818	19.3
339.09729	26.4
343.12924	10.2
345.10791	17.2
347.12354	5.2
357.10764	14.2
371.12344	14.2
375.11859	11.2
377.13251	3.1
389.13388	100.0
390.13708	6.5
407.14432	85.5
408.14850	7.2
413.26883	1.5
427.16391	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	407.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
65.03910	0.9
68.10300	0.7
70.79264	1.9
70.79626	0.9
71.00361	0.7
79.05511	0.8
81.01154	0.7
81.07066	0.8
83.04974	0.8
86.09696	1.1
86.41998	0.7
91.05459	1.0
93.07045	0.8
94.06528	1.1
95.08563	0.8
97.06526	1.4
98.20766	0.7
99.08083	1.0
108.04451	1.1
109.10133	1.1
110.06033	0.8
120.04452	3.7
122.05987	1.0
122.37893	0.7
135.11610	1.3
138.05473	4.6
147.04446	1.2
150.05536	0.8
152.07104	1.9
154.04974	2.2
161.13255	0.9
166.04805	0.9
167.07037	0.7
168.48074	0.7
170.08160	0.8
173.13239	0.8
178.04985	6.8
188.03375	6.6
192.06473	0.8
195.67322	0.7
196.06024	7.0
199.08691	1.5
206.04388	3.5
207.96133	0.9
208.06232	0.8
210.09146	1.2
211.08652	1.8
212.09212	1.0
213.10307	1.4
217.09666	1.1
222.09218	0.9
223.08614	3.5
224.07086	1.7
225.10268	1.3
226.08652	1.3
227.08101	12.2
227.11652	1.3
228.08557	0.9
229.09756	1.3
236.09248	0.8
237.10219	8.6
238.08698	2.0
238.10880	1.5
239.08269	1.3
239.11794	3.4
240.06485	1.1
241.09691	8.5
243.07605	1.0
243.11305	1.2
245.09158	3.1
250.07170	1.1
251.08110	11.2
252.08914	1.6
253.09715	1.4
254.08064	1.4
255.07585	7.4
255.11180	2.7
265.09680	13.0
266.08041	2.7
266.10532	1.8
267.08334	0.8
267.11261	4.0
268.09634	3.0
269.09198	35.6
270.09589	1.6
271.11099	1.0
273.08667	11.6
279.07663	18.1
280.08389	2.3
283.10785	7.3
284.09094	5.3
285.12360	3.4
286.10556	1.8
287.10254	3.1
293.09241	20.8
295.10620	2.6
297.08694	50.5
298.08942	3.0
301.11703	0.8
302.10251	3.2
311.10275	9.5
312.08749	1.7
313.11752	5.1
314.10342	3.0
315.06168	1.7
315.09766	27.9
315.13260	1.2
316.10373	1.5
317.11118	0.9
321.08670	13.6
325.11783	7.3
329.11276	7.7
330.09705	1.7
331.12897	1.2
332.11267	1.5
333.10773	18.7
339.09756	28.1
340.09964	1.1
343.12796	7.1
347.12186	1.5
357.10773	14.9
358.09213	2.0
371.12354	15.7
375.11816	6.0
389.13397	100.0
390.12604	7.7
407.09244	1.1
407.14462	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	407.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.8
55.05500	2.0
56.96547	2.9
59.04990	0.8
63.02351	0.9
65.03958	0.8
67.05476	2.1
69.03408	2.9
69.07046	1.4
70.06564	2.7
71.04964	1.3
71.27460	1.1
71.27799	0.8
79.05470	2.1
81.03414	1.1
81.07035	2.2
83.04946	1.3
84.08092	1.0
85.02882	4.8
86.09680	2.3
91.05460	3.4
93.07053	4.0
93.69678	0.7
94.06606	0.7
95.04948	1.4
95.08579	2.5
97.02880	1.5
97.06513	1.3
98.96981	1.4
98.97573	13.1
105.07018	6.1
106.07330	1.1
107.04918	1.0
107.08580	9.8
108.04457	1.6
108.08871	1.6
109.06469	1.7
109.10118	1.8
116.98616	8.1
119.08539	3.7
120.04460	1.5
121.06460	0.9
121.10113	4.2
123.04399	1.0
123.08099	4.5
124.03931	1.3
130.06491	0.8
131.08504	2.1
133.06430	0.9
133.10117	18.7
134.10454	6.9
134.99643	5.3
135.08051	2.6
135.11639	1.2
137.05983	0.9
137.09618	3.8
137.22449	0.7
138.05466	1.4
138.09932	1.3
143.08588	0.9
145.09985	1.0
147.04391	1.7
147.11681	2.0
151.11162	0.9
152.07028	0.9
158.99629	2.5
159.11403	0.8
159.88530	0.8
160.41246	0.9
161.13200	1.5
163.14728	0.9
164.07043	1.0
168.06511	1.2
169.32318	0.8
173.13226	4.8
174.13586	1.9
176.07104	1.0
176.14957	0.7
177.00702	4.3
177.05389	1.2
178.04970	2.6
183.06374	0.8
184.07521	1.1
186.09171	1.3
188.03386	2.4
191.14297	8.8
192.14635	3.7
196.06013	2.7
197.15341	1.8
199.08664	2.4
200.04332	1.1
200.10777	1.0
201.10194	1.3
206.04518	1.1
207.13499	0.8
209.15303	2.4
210.09277	1.1
211.08710	1.0
212.07202	0.8
212.09149	1.1
213.06459	1.5
213.10217	4.1
214.06960	1.1
215.08145	3.0
215.11925	1.7
215.16406	1.7
217.09770	1.2
219.01758	2.1
223.08641	1.9
223.30644	0.7
226.08690	1.1
226.10724	0.9
227.08138	8.5
227.11795	3.2
228.10332	2.0
229.06033	3.8
229.09636	3.7
231.11304	0.8
237.02927	1.1
237.10112	6.0
239.07970	0.9
239.11816	2.3
240.10265	0.8
241.09727	11.8
242.10269	1.8
243.07620	2.1
243.11293	4.9
245.09221	2.1
245.17419	1.8
246.11223	2.9
251.08139	5.6
252.08710	1.1
255.07617	3.9
255.11220	7.4
256.09586	1.5
257.09256	3.7
259.10864	1.6
260.11301	1.0
261.12054	1.0
263.09583	1.3
265.09677	6.7
267.11288	2.3
269.09198	18.3
270.09732	1.6
271.10751	9.5
273.08670	4.6
273.12262	3.1
274.10623	1.8
279.07642	8.7
280.08456	1.5
281.10501	0.9
283.07318	1.1
283.10672	10.3
284.09070	1.5
285.12262	1.3
287.10208	2.3
289.11871	2.2
291.13101	0.9
293.09137	8.0
294.10114	1.0
297.08694	22.8
298.09137	1.9
299.10318	8.4
301.08298	1.6
301.11697	8.8
302.10275	1.0
303.10626	1.2
305.10724	1.0
307.12149	1.9
311.10352	7.3
313.11795	2.5
315.09741	11.8
315.13260	1.2
316.64847	1.0
317.11359	16.6
317.14841	1.7
319.12817	8.2
321.08676	5.5
323.11606	6.0
325.11865	3.6
326.15607	1.5
329.11292	9.3
331.12756	2.2
333.10724	9.2
339.09723	13.6
341.12506	2.7
343.12851	5.9
345.10767	15.6
345.14633	1.8
347.12482	5.0
357.10745	8.1
361.13672	1.3
365.12686	1.9
371.12283	5.6
375.11746	8.1
377.13351	4.2
379.15240	1.3
389.13385	74.0
390.13321	3.2
400.14328	0.9
406.67795	1.0
407.14368	100.0
408.14664	6.5
425.14838	5.5
426.15457	1.1
433.22235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
61.02888	0.3
67.05500	0.7
69.07068	0.4
69.49835	2.1
70.06589	0.3
72.08127	0.3
72.21483	0.2
79.05466	0.6
81.07055	1.3
83.08624	0.3
85.02879	0.3
85.23239	0.3
89.54512	0.3
91.05474	0.6
93.07030	0.8
95.04965	0.3
95.08595	2.0
98.20882	0.7
98.21466	0.5
99.08087	0.3
105.07019	1.3
107.08589	1.2
109.10158	0.9
119.08578	1.4
121.10133	0.7
123.11703	0.3
131.08546	0.8
133.10146	0.8
135.11748	0.4
143.08563	0.7
145.10121	1.2
147.11639	0.3
149.13229	0.5
157.10130	0.8
159.11676	0.7
169.10118	0.4
170.16290	0.3
171.11649	0.5
173.13231	0.6
175.14798	0.4
183.11703	0.4
185.13220	0.3
187.14803	0.8
191.14406	0.3
197.13199	0.3
199.14777	0.3
201.12854	0.3
201.16406	0.8
211.14757	0.4
237.16130	0.4
285.10083	0.7
301.29184	0.5
333.20306	0.4
337.16046	0.4
345.31689	0.4
407.24014	100.0
408.24240	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	407.2785
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03911	1.7
55.01851	1.8
55.05500	14.8
57.07056	1.3
65.03923	2.1
67.05167	1.7
67.05497	30.0
69.07056	14.5
69.38370	5.1
69.38803	5.9
70.67146	1.1
71.04961	3.8
73.06507	1.0
79.05483	25.5
81.07043	34.0
83.04954	3.1
83.08617	6.5
85.06514	2.3
91.05462	36.9
93.07023	28.3
95.04957	5.8
95.08034	2.1
95.08594	27.6
97.06517	2.4
97.10158	2.3
98.21111	5.7
99.08105	1.2
103.05486	2.2
105.07015	54.2
107.04928	1.4
107.08577	19.7
109.06509	4.2
109.10139	9.9
115.05457	2.5
117.06995	16.3
119.08556	38.9
121.06479	3.4
121.10133	15.2
123.08065	3.0
123.11709	3.0
125.09590	2.0
129.06973	10.6
131.08556	34.9
133.06487	2.4
133.10107	20.4
135.08070	3.9
135.11632	6.3
137.12991	1.1
141.06967	5.1
141.49408	1.1
142.07791	1.9
143.08539	9.4
145.06441	1.8
145.09009	2.1
145.10103	22.4
146.10435	1.2
147.08032	3.8
147.11685	7.4
149.09581	4.0
149.13245	6.4
155.08521	5.3
157.10120	9.6
159.08046	1.6
159.11662	12.7
161.09564	2.0
161.13202	3.2
163.11143	1.8
163.12578	1.2
163.14890	2.2
167.08600	1.7
169.10115	5.0
171.11639	6.7
172.95454	1.2
173.13213	6.7
175.11177	1.9
175.14799	4.5
177.16367	3.2
177.34418	1.1
181.10017	3.0
183.11638	5.1
185.13249	5.4
187.14755	11.5
189.16367	5.8
195.11644	2.4
197.13222	4.9
199.14772	2.4
201.12605	1.5
201.16333	8.8
203.14331	2.5
203.17937	1.5
205.15823	5.0
209.13231	3.2
211.14691	2.4
213.12686	2.7
213.16325	3.1
213.71806	1.3
215.17947	2.6
217.15941	2.0
219.17419	1.7
221.15164	1.2
223.14772	2.4
225.16365	2.7
227.14233	1.5
229.15843	1.4
232.54825	1.3
233.15353	5.0
241.19415	2.1
245.15294	1.5
247.16951	6.5
259.16910	2.5
261.18454	3.9
273.18753	1.5
275.19998	1.4
285.18420	1.2
325.25281	4.6
330.71872	1.2
335.23627	7.3
343.26270	9.7
353.24670	21.3
354.24863	1.3
358.35699	1.1
371.25735	34.9
372.25775	2.8
389.26810	100.0
390.27197	6.5
407.33228	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	407.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.0
57.07059	3.4
65.03923	2.3
67.05504	18.9
69.07063	13.7
71.25296	4.1
79.05485	14.9
81.07048	47.6
83.04960	11.4
83.08614	8.3
91.05482	18.0
93.07037	32.2
95.04955	15.0
95.08597	65.1
97.10160	4.2
99.08087	1.9
105.07018	47.2
107.08587	51.7
109.06489	5.3
109.10149	33.6
111.08061	5.6
117.07010	9.5
119.08571	63.2
120.08862	2.8
121.10134	30.9
123.08037	5.7
123.11680	11.6
125.09619	17.6
129.06973	3.4
131.08566	23.9
133.10121	31.6
134.10516	1.7
135.08081	2.4
135.11658	14.5
137.09567	6.8
137.13240	4.2
142.07710	2.6
143.08524	12.8
145.10124	41.7
146.10579	2.2
147.11684	23.7
149.09633	3.6
149.13246	22.3
151.11226	2.5
155.08554	4.3
156.09258	4.0
157.10103	17.3
158.10942	2.6
159.11678	37.0
159.12982	1.8
161.09613	2.0
161.13205	9.0
163.11198	2.0
163.14796	15.7
165.12845	2.3
169.10143	6.7
171.11693	11.2
172.12158	2.1
173.13235	24.6
175.11145	2.8
175.14803	15.2
177.12653	2.1
177.16400	15.6
183.11635	9.7
185.13237	11.6
187.14793	52.9
189.16423	17.3
191.14340	3.8
191.18007	4.1
195.11789	2.4
197.13280	4.2
199.14818	13.4
201.16385	19.9
203.17934	7.9
205.15781	2.6
209.13213	3.8
211.14742	3.4
213.16319	14.8
215.14476	2.2
215.17961	20.2
217.15927	5.8
217.19391	2.7
219.17401	3.4
225.16365	5.8
227.17949	5.6
229.15915	4.6
229.19518	7.8
233.19194	2.2
239.17955	6.1
241.19429	8.9
243.17427	2.5
243.21053	6.1
245.19052	2.4
251.18019	3.3
253.19504	2.3
255.21114	9.4
263.18109	1.9
265.19550	2.4
267.21027	6.7
279.21063	2.7
281.22745	2.6
283.20770	1.9
311.23685	5.7
337.25159	2.3
349.28906	7.8
389.27396	2.6
389.32004	15.9
407.33075	100.0
408.33334	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05500	5.7
57.07062	2.5
59.04986	0.7
67.05495	7.3
69.07056	12.2
70.68516	1.6
71.08635	0.7
72.28358	0.4
73.93135	0.4
78.04693	0.4
79.05060	0.6
79.05477	8.0
81.03390	0.5
81.07040	17.1
83.04961	1.1
83.08138	0.5
83.08605	7.3
91.05464	10.9
93.07030	21.6
95.04945	1.9
95.08591	32.6
97.06491	1.5
97.10120	1.4
105.07012	30.0
107.04913	1.1
107.08578	46.2
108.08862	1.0
109.06477	1.5
109.10143	16.9
111.08074	1.1
115.05454	0.8
117.06996	6.4
119.08561	41.1
121.06495	1.2
121.10124	36.5
122.10503	0.6
123.08037	1.4
123.11687	5.7
128.06116	0.7
129.06975	2.2
130.07758	2.1
131.08543	22.5
133.10106	24.3
135.08055	2.4
135.11668	13.7
136.11992	0.5
137.09608	3.0
137.13216	1.7
142.07709	0.7
142.37160	0.6
143.08516	5.1
144.09308	2.3
145.10100	42.3
146.10626	0.6
147.07962	1.0
147.11662	15.3
149.09608	2.1
149.13237	16.4
151.11137	2.1
155.08488	1.0
156.09290	0.8
157.10106	6.4
158.10876	2.7
159.11670	27.5
160.12408	0.8
161.13222	15.5
163.05255	0.5
163.11156	14.3
163.14787	10.1
165.12677	0.6
169.10078	1.3
170.10875	1.3
171.11652	6.0
172.12425	2.9
173.13242	20.8
174.13802	0.7
175.14801	29.3
176.15105	1.0
177.12720	1.7
177.16357	30.1
179.14291	0.6
183.11644	2.7
184.12418	1.0
185.13246	6.1
186.14056	1.0
187.14789	56.0
189.12668	0.6
189.16350	14.8
191.14253	4.6
191.17918	1.7
191.94052	0.6
197.13228	1.2
199.14781	4.2
201.16353	65.3
202.16835	1.2
203.14262	0.7
203.17909	9.0
205.15842	100.0
206.16212	1.3
207.17384	5.9
211.14845	0.8
213.16339	3.3
215.14275	1.4
215.17935	4.0
217.15945	2.6
217.19490	2.3
219.17378	3.0
225.16344	0.7
227.17863	2.7
229.19423	2.6
231.17380	2.7
233.18997	1.7
237.16205	0.6
239.17955	1.2
241.19496	1.3
243.21028	1.1
253.19576	0.6
255.21033	0.9
259.20761	0.6
267.21030	0.7
269.22595	1.2
281.22684	0.7
295.24216	1.1
297.21719	0.5
311.23514	0.5
337.24915	1.0
379.33603	1.6
389.31863	4.6
407.33032	61.7
408.33414	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05503	10.4
56.96551	2.1
57.07072	5.5
59.04985	1.2
65.03940	1.6
67.05501	20.1
67.18495	0.9
69.03406	1.2
69.07062	15.5
69.61930	6.8
69.68897	0.8
71.08637	1.6
79.05483	16.1
81.07050	53.2
83.08605	9.1
85.06538	2.7
88.94225	0.8
91.05463	19.6
91.05995	1.7
93.07036	35.5
94.07359	1.7
95.04962	4.9
95.08597	71.3
96.08926	1.1
97.06489	1.4
97.10155	7.2
105.07022	32.7
106.07335	1.2
107.08585	58.6
108.08918	1.2
109.06522	4.9
109.10146	36.6
111.08062	7.3
111.11713	1.8
115.05416	1.2
117.06983	6.7
119.08569	45.5
121.10130	26.8
123.08049	4.8
123.11701	13.4
125.09615	16.8
128.06223	2.5
129.06996	6.8
131.08563	22.5
133.10121	24.8
135.08043	2.0
135.11676	12.7
137.09607	7.6
137.13243	14.7
141.06990	2.5
142.07773	3.7
143.08563	16.7
144.09308	1.5
145.10106	31.5
145.86700	0.9
146.10493	1.2
147.08031	2.0
147.11681	15.4
148.12048	1.1
149.02324	1.1
149.09679	2.1
149.13237	30.3
150.13605	1.3
151.11176	3.4
151.14767	1.5
153.06963	1.3
155.08540	4.4
156.09331	4.0
157.10120	18.6
158.10863	1.3
159.11679	24.7
161.09557	1.4
161.13223	10.4
162.03079	1.0
163.11154	2.3
163.14795	20.4
165.12781	1.6
165.16379	2.9
167.08594	2.2
168.09328	1.5
169.10126	12.7
170.10861	4.0
171.11676	15.6
172.12386	1.6
173.09727	1.8
173.13242	21.2
175.11177	1.4
175.14822	20.2
177.12746	1.4
177.16380	10.2
181.10112	7.8
182.10846	1.2
183.11703	9.6
184.04456	3.6
185.09637	3.6
185.13237	17.3
186.13893	1.3
187.11165	5.1
187.14804	26.0
187.16418	1.7
188.15097	1.4
189.16379	13.6
191.14305	2.2
191.17943	3.7
193.04861	1.0
193.10027	1.9
193.15808	1.3
194.10991	0.9
195.11682	3.7
196.12325	1.2
197.13251	6.0
198.14104	1.2
199.11154	7.0
199.14795	13.2
200.20001	1.2
201.12750	9.7
201.14320	1.1
201.14690	1.4
201.16348	13.0
203.14262	2.9
203.17902	6.9
205.15967	3.3
206.05748	2.1
207.11603	1.3
209.13220	3.1
211.14847	5.8
213.12794	6.2
213.16333	10.8
215.14508	2.2
215.17931	16.4
216.18221	1.8
217.15919	4.6
217.19540	2.4
221.13258	1.6
223.14790	4.2
225.16379	5.5
227.14386	2.1
227.17868	7.1
228.18555	1.3
229.15930	2.3
229.19478	6.4
231.17422	2.2
233.18971	1.5
237.16360	8.5
239.17885	6.4
241.15900	1.2
241.19501	6.9
243.17413	4.0
243.21100	3.9
245.18999	1.9
251.17928	4.3
253.19579	3.0
255.17392	3.0
255.21025	5.9
257.19016	5.4
257.22720	1.2
265.19489	2.7
267.21088	2.2
269.19019	3.6
269.22559	2.1
279.21085	2.4
281.22681	2.4
283.20654	3.4
283.24255	4.2
293.22662	1.9
295.23926	1.0
297.25809	3.3
311.23642	3.3
319.24121	1.5
321.25690	4.4
323.27301	1.8
337.25256	1.5
347.15247	1.5
349.29056	1.8
351.26727	10.0
355.72601	1.0
389.27316	0.7
389.31976	16.0
390.32315	2.4
407.33057	100.0
407.76746	2.1
408.33578	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	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01850	0.7
55.05503	10.5
57.07059	2.1
65.03928	0.7
67.05492	19.8
69.03408	2.6
69.07057	11.6
69.45857	6.1
71.04977	0.9
74.61338	0.7
79.05476	14.3
81.07042	42.8
82.07350	1.2
83.04967	1.9
83.08597	6.4
85.06531	1.0
87.44776	0.6
89.53624	0.6
91.05464	16.0
93.07028	37.5
94.07384	1.0
95.04963	6.1
95.08589	74.1
96.08966	0.9
97.06503	1.6
97.10168	3.3
98.20750	0.9
99.08060	1.5
103.05508	1.1
105.07012	51.6
106.07348	1.1
107.04858	0.7
107.08575	57.4
108.08951	0.6
109.06493	4.9
109.10139	32.7
111.08054	3.1
111.11739	1.3
115.05446	1.4
117.06987	6.4
118.07742	0.6
119.08559	55.1
120.08881	1.0
121.06481	1.3
121.10123	31.3
123.08057	6.1
123.11689	10.6
125.09612	12.6
128.06213	1.1
128.61725	0.6
129.06982	5.1
130.07745	2.0
131.08549	27.8
132.08966	0.6
133.10106	30.4
134.10478	0.9
135.08043	1.8
135.11664	14.5
137.09578	3.2
137.13263	2.0
139.11104	0.6
141.06952	1.1
142.07793	2.8
143.08539	15.5
144.09271	2.7
145.10098	47.6
146.10524	1.3
147.08073	1.5
147.11665	19.8
149.09641	2.3
149.13237	17.8
151.11159	2.9
151.14906	0.8
154.07764	0.9
155.08499	3.2
156.09300	1.6
157.10117	15.0
158.10913	1.8
159.08011	0.9
159.11665	28.5
160.12141	1.5
161.09607	1.9
161.13228	11.2
163.11171	2.0
163.14790	16.4
165.12730	0.9
165.16347	0.9
169.10106	5.8
170.10851	1.3
171.11667	9.9
172.12387	1.4
173.09648	1.2
173.13240	36.2
175.11386	1.3
175.13257	1.2
175.14786	18.8
177.12741	1.8
177.16359	15.6
180.09305	0.9
181.10083	1.6
182.11058	1.0
183.11662	6.1
184.12389	1.0
185.13232	12.6
187.14789	67.6
188.15163	2.2
189.12701	1.3
189.16344	25.3
190.16695	0.8
191.14288	3.3
191.16344	0.6
191.17900	3.7
193.15816	1.0
195.11678	2.6
197.13263	5.1
199.14790	15.0
201.12720	1.6
201.16342	21.0
201.18230	1.1
202.16745	0.9
203.14339	3.0
203.17923	11.7
204.18204	0.9
205.15869	2.8
207.11595	0.7
207.17378	0.8
208.12572	0.9
209.13202	3.0
211.14783	4.4
213.16348	16.8
214.16940	1.2
215.14456	1.2
215.17924	16.8
216.18216	1.1
217.15881	7.3
217.19495	2.9
219.17427	2.4
223.14755	2.5
225.16315	4.5
227.17903	7.9
229.15939	3.5
229.19475	6.0
231.17409	3.1
233.19003	3.2
237.16327	2.0
239.17926	4.3
240.18402	0.7
241.19452	8.6
243.17413	2.1
243.21088	2.8
245.19055	2.2
251.17947	2.6
253.19508	5.0
255.17450	0.8
255.21086	5.4
257.19101	1.8
257.22592	0.9
259.20493	1.0
265.19519	2.2
265.63187	0.6
267.20987	5.7
269.18982	1.1
269.22601	2.5
279.21024	1.8
281.22614	3.7
283.20425	1.9
283.24142	4.2
285.22189	0.8
293.22488	3.2
295.24118	1.8
311.23645	14.9
311.26913	0.8
313.25211	1.2
319.24149	2.1
333.25769	1.3
337.25131	3.4
347.27271	0.9
349.28918	2.6
351.26779	0.9
361.28305	0.7
379.33652	2.6
389.31961	21.3
390.31976	1.4
407.33035	100.0
408.33307	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	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.05497	6.6
57.07078	2.7
65.03899	1.0
67.05495	10.4
69.06721	0.8
69.07057	11.5
70.57223	0.5
71.04952	0.8
71.62930	1.0
77.03879	0.7
79.05479	8.8
81.07044	22.9
82.07368	0.8
83.04953	1.3
83.08613	5.5
85.06519	1.0
91.05464	10.1
93.07030	21.2
95.04943	2.3
95.08591	38.1
96.08875	1.3
97.06509	1.3
97.10129	2.4
98.21220	0.7
99.08075	0.8
103.05451	0.8
105.07014	24.0
106.07394	0.8
107.08576	33.1
108.08894	0.8
109.06470	2.2
109.10136	23.7
111.08022	1.7
115.05487	0.8
117.06995	5.6
119.08562	55.1
120.08900	1.4
121.06473	0.9
121.10125	26.9
122.10465	0.7
123.08059	1.6
123.11690	9.1
125.09615	1.8
128.06227	1.4
129.06984	4.0
130.07729	2.1
131.08551	31.9
132.08908	0.7
133.10110	26.0
134.10463	1.0
135.08037	2.6
135.11670	11.4
137.08623	0.9
137.09598	9.7
137.13268	3.1
139.11177	0.7
141.06842	0.9
142.07735	2.4
143.08545	9.3
144.09329	2.9
145.10097	55.7
146.10437	2.4
147.08028	0.6
147.11661	14.9
149.09616	2.1
149.13237	17.2
151.11179	3.2
155.08502	2.1
156.09236	1.4
157.10107	12.6
158.10855	2.7
159.08043	1.1
159.11665	32.2
160.12077	1.0
161.13228	9.7
163.11188	3.6
163.14807	10.4
165.12665	1.1
165.16353	0.8
169.10094	3.3
170.10867	2.2
171.11658	7.2
172.12457	2.8
173.09599	1.5
173.13225	17.4
175.11125	1.4
175.14801	14.3
177.12785	3.2
177.16359	11.8
183.11694	3.7
185.13217	9.2
186.14008	1.4
187.14790	100.0
188.15088	4.1
189.12769	1.1
189.16359	14.6
191.14304	2.7
191.17982	2.8
195.11588	1.2
196.12357	1.0
197.13284	3.1
199.14799	7.4
200.15288	0.6
201.16348	74.8
202.16672	4.6
203.14285	3.3
203.17932	8.3
205.15836	17.9
205.19466	1.7
206.16167	1.3
207.17410	14.5
208.17638	0.7
209.13264	1.3
211.14706	3.2
213.16382	6.2
214.16927	1.0
215.14322	5.3
215.17914	11.4
217.15834	3.5
217.19476	1.5
219.17349	1.4
221.13142	0.8
223.14767	2.2
225.16368	4.1
227.17909	4.2
229.15791	3.4
229.19400	3.0
231.17354	2.0
233.18962	6.5
237.16365	1.7
239.17926	3.2
241.19415	3.4
243.17433	2.9
243.21057	1.7
245.18973	1.1
251.17972	1.3
253.19467	1.8
255.21135	3.2
257.18958	1.3
259.20496	1.0
267.21011	1.6
269.18896	0.8
269.22610	2.0
279.21024	1.2
281.22556	1.0
283.20508	1.5
283.24063	1.3
291.20959	0.8
293.22580	2.6
307.24094	0.7
309.22214	0.7
309.25824	0.9
311.23648	15.4
312.23911	1.0
313.24649	0.7
319.24002	0.9
321.25644	1.0
333.25858	1.1
337.25089	3.6
349.28824	0.7
351.26791	0.8
379.33517	0.9
389.27048	0.9
389.31964	13.4
390.32516	1.0
407.33026	74.1
408.33344	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	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59870	0.7
53.03950	1.4
55.01847	1.1
55.05502	9.0
57.07069	2.1
59.04978	0.8
65.03944	0.7
67.05167	1.1
67.05502	16.8
67.35297	0.6
69.03413	3.3
69.07060	12.2
69.60509	5.2
71.05001	1.0
79.05484	13.4
80.89077	0.7
81.07052	36.5
82.07393	0.9
83.04974	0.9
83.08618	5.7
91.05473	14.2
93.07037	29.9
94.07371	0.7
95.04939	3.3
95.08598	63.9
96.08912	1.4
97.06506	2.6
97.10162	2.5
98.21411	1.7
103.05456	1.0
105.07021	39.0
105.66102	0.7
107.08585	47.4
108.08945	1.0
109.06519	4.0
109.10146	29.9
111.08064	3.1
117.07009	5.7
119.08570	46.3
120.08897	1.2
121.06491	2.8
121.10133	32.0
123.08045	3.8
123.11703	9.7
125.09605	10.3
128.06190	1.4
129.06982	4.1
130.07771	1.0
131.08562	19.0
133.10117	26.5
135.08070	6.3
135.11674	13.3
137.09612	4.6
137.13248	2.1
138.58835	0.6
139.11197	0.9
141.06972	1.2
142.07736	2.1
142.22296	0.6
143.08543	13.0
144.09308	2.0
145.10110	38.9
146.10428	1.2
147.08054	1.9
147.11668	18.5
148.12038	0.9
149.09570	3.5
149.13254	19.7
151.11179	3.0
155.08530	2.9
156.09280	2.2
157.10112	14.5
158.10886	2.4
159.08028	1.7
159.11684	24.9
161.09607	4.7
161.13249	11.9
162.13547	1.1
163.11133	1.1
163.14809	15.0
164.15126	0.9
165.12752	1.1
169.10115	5.6
170.10915	1.6
171.11671	10.2
172.12448	1.0
173.09586	2.2
173.13246	23.1
174.13538	0.8
175.11205	7.4
175.14812	19.7
177.12729	2.0
177.16367	14.6
178.16702	1.2
181.10109	1.4
183.11674	6.0
184.12411	1.2
185.13260	10.5
187.11241	1.4
187.14806	48.7
188.15163	2.1
189.12752	2.5
189.16362	26.2
190.16727	1.1
191.14307	1.8
191.17969	3.2
193.15901	1.2
195.11700	2.5
197.13206	5.9
198.14049	0.9
199.11177	0.9
199.14795	12.3
201.12715	2.0
201.16350	18.6
202.16710	1.7
203.14305	13.9
203.17938	13.6
204.14670	1.1
204.18280	0.8
205.15901	2.7
207.17435	0.9
209.13246	2.8
211.14838	4.9
213.16359	15.1
214.16910	1.3
215.14389	2.4
215.17941	13.2
217.15880	8.6
217.19540	2.3
219.17464	1.3
221.13225	0.9
223.14850	2.9
225.16350	4.0
227.17943	6.7
229.15833	5.6
229.19391	5.1
231.17436	3.9
233.19022	3.0
237.16385	2.2
239.17996	5.1
241.19484	6.7
243.17424	2.4
243.21107	2.6
245.18951	2.0
249.16447	0.9
251.17981	2.0
253.19499	4.3
255.21030	4.9
257.18988	2.4
259.20795	1.2
265.19559	1.8
267.21042	3.1
269.18890	1.2
269.22693	1.7
277.19516	1.2
279.21008	2.1
281.22656	2.6
283.20648	2.3
283.24210	3.9
291.21014	0.9
293.22467	3.9
295.24240	2.1
297.22525	1.1
297.25894	2.2
305.22556	1.0
307.24344	0.9
311.23639	10.3
319.24185	1.2
321.25580	1.0
323.27277	0.9
333.25781	1.2
337.25204	1.9
347.27094	1.3
349.28964	1.6
379.33426	1.4
389.32047	16.3
390.32281	1.8
407.33072	100.0
408.33453	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	407.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.1
57.03412	0.7
57.07063	2.5
59.04977	0.5
61.02938	0.5
65.03924	0.6
67.05168	0.8
67.05493	9.0
69.03402	0.6
69.07056	13.7
70.08297	1.4
70.08695	0.7
71.04969	0.6
71.08592	0.5
73.31994	0.5
79.05481	8.0
81.03395	0.6
81.07044	16.6
83.04922	1.5
83.08148	0.4
83.08604	6.0
83.84908	0.4
85.06516	1.0
90.15047	0.5
91.05463	11.0
93.07030	20.3
94.07354	0.5
95.04917	1.5
95.08588	36.8
96.08938	0.7
97.06491	0.9
97.10128	1.5
99.08056	1.1
103.05420	0.6
105.07015	24.3
106.07342	0.4
107.04919	0.8
107.08575	41.3
108.08876	1.4
109.06509	1.8
109.10133	16.7
111.08034	1.8
111.11697	0.6
115.05416	0.7
116.06174	0.7
117.06996	7.7
119.08559	43.9
120.08867	1.1
121.06449	1.1
121.10123	37.8
122.10454	0.7
123.08018	1.9
123.11691	6.5
125.09602	0.8
128.06155	1.0
129.06989	1.9
130.07741	1.7
131.08543	22.3
132.08836	0.7
133.10109	26.3
135.08009	1.5
135.11668	13.8
136.11926	0.5
137.09576	3.4
137.13240	1.5
141.07014	0.5
143.08522	6.1
144.09341	2.3
145.10098	47.0
146.10486	1.7
147.11661	14.1
149.09599	2.4
149.13242	12.7
151.11153	2.0
153.10544	0.4
155.08553	1.0
156.09271	1.8
157.10109	8.9
158.10873	4.1
159.11662	26.9
160.12074	0.9
161.11949	0.8
161.13229	11.8
163.11147	12.9
163.12520	0.7
163.14804	8.6
165.12671	0.9
169.10132	1.3
170.10841	1.5
171.11646	8.3
172.12424	2.5
173.13231	27.3
174.13776	0.5
175.14793	26.5
176.15074	0.8
176.35808	0.5
177.12898	2.5
177.16353	29.9
178.16751	1.0
179.14276	0.7
183.11656	3.8
184.12384	0.5
185.13214	7.6
186.13818	0.9
187.14789	47.0
188.15143	1.7
189.12762	0.9
189.16360	12.4
191.14313	2.9
191.17923	2.9
195.11710	1.0
197.13258	2.0
198.13882	0.5
199.14816	9.7
200.15262	0.7
201.16348	52.0
202.16718	2.3
203.14267	0.9
203.17912	6.9
205.15843	100.0
206.16190	4.2
207.17397	5.2
211.14737	2.0
213.16321	6.4
214.16762	0.8
215.14316	1.8
215.17923	3.8
217.15848	1.7
217.19499	1.8
219.17462	1.6
223.14703	0.8
225.16418	1.1
227.17934	2.5
229.19504	2.6
231.17365	1.9
233.18927	1.3
237.16367	0.8
239.17914	1.5
241.19499	2.2
243.21008	0.9
251.17879	1.2
253.19440	1.4
255.21036	1.7
267.21082	1.3
269.18881	0.5
269.22641	1.2
281.22711	0.7
283.20621	0.6
311.23734	1.3
313.25238	0.7
319.24146	0.6
335.27133	0.9
337.25092	0.9
347.26935	0.6
379.33511	0.9
389.31979	5.5
407.33035	62.0
408.33441	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	407.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05504	6.5
56.96564	0.6
57.07058	1.9
59.04985	0.6
65.03922	1.0
67.05493	13.7
69.03413	2.3
69.06711	0.8
69.07060	11.9
69.40331	5.1
71.04992	0.8
73.07619	0.5
79.05484	9.4
80.05801	0.7
81.07047	34.5
82.94413	0.4
83.04953	1.3
83.08609	5.4
83.64328	0.5
85.06544	0.7
90.18103	0.6
91.04887	0.6
91.05463	13.5
93.07035	26.9
94.07351	0.5
95.04961	4.2
95.08598	48.0
96.08933	1.0
97.06507	1.5
97.10149	4.1
99.08105	0.6
103.05441	0.5
105.07021	35.7
106.07302	0.7
107.08581	43.6
108.08906	1.2
109.06522	4.1
109.10143	26.4
110.10490	0.7
111.08058	3.6
111.11745	0.5
115.05433	0.8
117.07015	6.8
119.08566	35.1
120.08900	0.9
121.06470	0.7
121.10130	25.7
122.10456	0.8
123.08077	4.2
123.11687	9.4
125.09619	8.6
128.06229	1.4
129.06981	5.4
130.07718	1.6
131.08556	23.7
133.06400	0.7
133.10117	23.5
135.07997	1.5
135.11681	11.4
137.09599	3.1
137.13223	2.7
139.11108	0.5
141.06995	1.3
142.07774	2.1
143.08542	11.8
144.09323	2.2
145.10104	37.5
146.10481	1.7
147.08060	1.0
147.11671	17.3
149.09602	1.5
149.13240	21.1
151.11171	2.8
155.08530	3.2
156.09320	1.8
157.10112	11.2
158.10812	2.1
159.08080	1.0
159.11681	22.8
160.12128	0.9
161.09592	1.6
161.13245	10.3
163.11122	1.6
163.14801	21.8
164.15138	1.2
165.12711	0.8
167.08560	0.6
169.10164	3.8
170.10840	1.8
171.11681	8.9
172.12404	1.9
173.09605	1.1
173.13245	30.8
174.13618	1.5
175.11172	1.9
175.14810	19.2
176.15213	0.6
177.12756	1.4
177.16364	18.3
178.16817	1.1
179.14363	0.7
181.10159	0.9
182.10852	0.5
183.11679	4.2
184.12285	0.7
185.13237	7.0
186.13736	0.8
187.14803	67.4
188.15109	4.2
189.09073	0.6
189.12750	1.1
189.16356	25.7
189.18086	1.2
190.16719	1.3
191.14232	2.9
191.17902	4.2
193.15718	0.7
195.11678	1.8
197.13214	2.6
198.14087	0.6
199.14798	16.0
200.15266	1.0
201.12698	1.5
201.16356	16.6
202.16711	0.9
203.14299	2.1
203.17931	10.4
203.19711	0.9
204.18320	0.9
205.15826	2.2
205.19470	1.0
207.17400	0.6
209.13239	1.4
211.14751	3.4
212.15242	0.8
213.16359	21.3
214.16881	2.0
215.14345	2.4
215.17915	17.1
216.18391	0.9
217.15897	11.1
217.19478	2.1
219.17407	1.6
223.14806	2.3
225.16391	5.0
227.17944	6.8
229.15964	3.3
229.19460	5.6
231.17400	4.3
231.20975	1.1
233.18961	5.6
237.16364	2.0
239.17964	5.4
241.19489	8.4
242.19933	0.7
243.17397	2.2
243.20972	3.7
245.18962	2.1
251.17906	2.1
253.19534	4.2
255.21057	5.7
256.21503	0.7
257.18961	2.1
259.20410	0.8
263.17776	0.7
265.19565	2.7
267.21082	6.3
269.18973	1.9
269.22614	1.9
271.20514	0.9
279.21115	2.3
281.22687	3.4
283.20483	1.6
283.24246	3.2
285.10092	0.7
286.06314	0.6
291.20972	0.6
293.22647	2.0
295.24200	1.6
297.21942	1.2
297.25479	0.9
305.22424	0.7
307.24463	0.8
309.25943	0.7
311.23529	1.3
319.24136	1.9
323.27420	1.0
333.25833	1.6
337.25366	1.0
347.27353	1.1
349.28793	2.9
361.28766	0.6
379.33606	1.5
389.26947	1.1
389.32019	22.6
390.32346	2.8
407.33044	100.0
408.33380	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	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05502	13.3
57.07074	2.2
58.49945	1.0
65.03942	1.9
67.05495	23.3
69.03416	1.4
69.07056	18.8
70.90755	3.9
71.04990	2.0
71.08625	1.1
77.22855	1.1
79.05486	19.2
81.07048	33.3
83.04962	3.1
83.08608	9.1
85.06519	2.4
91.05469	29.9
93.07034	32.7
95.04965	5.0
95.08595	42.9
97.06531	2.2
97.10136	2.7
98.06782	1.1
103.05476	2.6
105.07011	51.9
107.04967	2.0
107.08582	51.1
109.06496	3.2
109.10142	18.8
111.08076	1.7
112.97309	1.2
115.05449	1.9
117.06993	15.7
119.08569	53.7
121.06502	4.2
121.10127	37.7
121.11006	1.6
123.08041	2.4
123.11692	6.2
125.09579	1.4
128.06149	2.0
129.06972	8.8
130.07774	2.3
131.07573	2.1
131.08553	38.1
133.10114	31.2
135.08025	3.8
135.11690	14.2
137.09569	2.1
137.13249	1.9
141.06978	3.0
142.07715	1.5
143.08556	10.1
144.09373	1.7
144.29810	1.2
145.10104	54.0
146.10837	1.4
147.08025	1.6
147.11673	16.2
149.09592	2.5
149.13269	17.1
151.11209	2.0
155.08556	4.0
157.10133	9.8
158.10918	3.1
159.11673	33.1
161.09641	2.9
161.13268	13.7
163.11165	28.0
163.12521	1.8
163.14790	9.1
165.12724	1.3
169.10138	5.4
171.11703	7.2
172.12474	3.7
173.13243	17.3
175.11272	2.6
175.13274	1.5
175.14812	31.5
177.12808	1.6
177.16365	26.7
181.10117	2.5
183.11684	5.1
185.13223	8.8
187.11177	2.1
187.14801	48.4
189.16331	15.7
191.14232	6.0
191.17900	1.3
195.11620	2.0
197.13243	4.9
199.14845	5.7
201.12877	1.7
201.16362	56.4
203.17871	9.1
205.15852	100.0
207.17494	3.4
209.13394	1.3
211.14810	3.2
213.16388	4.5
215.14284	1.9
215.17940	5.1
217.15851	2.8
217.19397	1.9
219.13785	1.9
219.17456	2.7
227.17955	2.8
229.16019	1.4
231.17538	3.1
233.15385	2.1
233.19037	1.6
237.16441	2.5
239.17978	1.3
241.19527	1.8
243.21263	1.5
245.19157	1.3
252.99973	1.9
253.19579	2.1
261.18460	1.3
273.18509	2.1
283.20386	1.4
325.25229	1.6
335.23828	3.1
343.26382	5.5
353.24719	12.5
361.93945	1.4
364.67160	1.2
365.28806	1.1
371.25760	12.0
389.26935	38.6
389.32010	5.6
390.26962	2.1
407.33096	62.7
408.07062	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.9
57.07069	6.0
59.97452	2.3
67.05497	14.1
69.07068	14.4
71.64256	3.2
79.05484	7.9
81.07053	28.4
83.08598	9.8
89.06018	6.5
91.05470	10.4
93.07026	27.1
94.87406	2.8
95.04930	2.7
95.08600	41.8
97.06528	2.8
97.10113	3.4
99.08076	9.2
105.07005	24.7
107.08588	30.5
109.10151	34.2
113.00017	7.8
117.06999	8.4
119.08565	72.8
120.08917	3.3
121.10124	32.3
123.11681	12.6
129.06992	3.7
131.08537	35.5
133.08614	3.0
133.10107	43.2
135.07986	2.6
135.11649	21.8
137.09569	5.3
143.08539	11.2
144.09328	3.1
145.10103	35.9
147.11665	20.1
149.13257	12.4
153.94238	2.6
156.09322	3.3
157.10152	20.2
158.10895	4.4
159.11667	41.6
161.13295	13.3
163.11104	3.8
163.14796	11.4
169.02626	11.4
169.10121	6.4
170.10815	5.1
171.11723	16.9
172.12315	3.5
173.13223	31.8
175.14859	9.2
177.16382	5.5
183.11678	9.5
184.12473	3.7
184.77200	2.8
185.13237	25.6
187.14796	78.2
187.16415	5.0
188.15105	5.7
189.16383	17.8
191.17958	10.8
197.13181	10.9
199.14780	23.8
201.16338	57.6
203.17961	6.8
204.54182	2.7
207.17432	14.9
211.14792	5.5
213.16316	23.5
215.14331	3.4
215.17984	8.7
223.14919	2.7
224.42767	2.6
225.16380	7.6
227.17937	10.4
229.19482	3.1
239.14786	3.4
239.17947	5.2
241.19542	3.5
243.17435	3.1
251.17989	4.7
255.21126	3.8
265.19348	3.2
267.20993	4.7
275.19867	5.8
292.30670	2.7
311.23547	4.4
335.27191	2.7
389.32083	13.6
407.16776	3.2
407.33011	100.0
408.33270	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	407.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.8
57.07076	7.6
61.24942	1.5
65.03918	1.8
67.05490	17.9
69.07063	40.4
70.81123	3.5
71.08609	3.6
79.05492	12.7
81.07050	86.2
83.08608	12.3
85.10168	1.9
89.06007	2.1
91.05480	8.1
93.07037	23.0
95.04969	1.7
95.08601	54.9
97.10169	5.7
105.07026	21.7
107.08583	32.3
109.10146	44.1
111.11707	4.6
117.07053	2.1
119.08569	24.8
121.10144	27.6
123.11703	22.6
129.06929	1.4
131.08565	8.7
133.10114	21.4
135.11694	19.2
137.13260	14.4
143.08543	5.1
145.10095	14.8
147.11681	18.3
149.13249	14.6
151.14795	3.5
156.09317	1.6
157.10132	7.4
159.11673	21.5
159.12856	2.1
159.28047	1.4
161.13223	14.0
163.14833	7.4
169.10130	3.0
171.11659	6.4
173.13240	15.2
175.14839	11.2
177.16347	8.2
185.13283	8.8
185.14685	1.4
187.14828	11.9
189.16409	11.3
191.17883	3.6
197.13274	1.8
199.14825	5.2
201.16356	8.0
203.18001	10.1
205.19461	2.7
213.16394	7.2
215.17958	8.9
217.19540	5.2
225.16396	3.1
227.17964	6.2
229.19505	7.6
231.21017	2.5
239.17937	1.9
241.19501	3.2
243.21111	4.6
245.22552	3.5
255.21068	5.2
257.22635	7.8
267.21204	1.8
269.22589	8.4
271.24185	5.7
283.24173	8.4
295.24152	3.0
297.25821	4.3
299.27417	3.8
311.27094	2.2
325.28912	8.2
337.28827	3.7
351.30258	2.8
407.36719	100.0
408.37027	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	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97453	1.9
54.72501	1.9
55.05502	11.6
57.07055	8.5
59.76465	2.4
67.05499	25.4
69.07061	60.5
71.05891	6.9
71.08625	4.0
79.05479	12.6
81.07051	96.8
82.07381	2.1
83.08609	17.4
89.06027	3.2
91.05486	9.4
93.07029	33.6
95.08596	66.8
97.10168	9.6
105.07024	27.4
107.08575	41.5
109.10144	49.8
111.11716	3.9
117.07035	5.8
119.08560	38.7
121.10134	34.3
123.11700	26.5
125.13256	2.4
131.08563	15.0
133.10149	21.7
135.11685	19.4
137.13251	13.6
143.08519	4.8
144.09341	2.6
145.10103	19.9
147.11670	24.7
149.13223	19.7
151.14738	3.6
157.10114	12.5
159.11667	28.8
160.12326	2.4
161.13278	18.5
163.14725	11.0
165.00519	2.2
169.10051	2.7
171.11592	10.7
173.13281	17.5
173.16423	2.2
175.14816	14.5
177.16428	11.0
185.13258	8.5
187.14821	14.6
189.16364	9.5
191.18018	5.3
197.13150	3.1
199.14836	8.5
201.16328	14.1
203.17949	7.4
213.16371	8.6
215.17918	10.3
217.19545	6.0
227.17934	8.5
229.19455	10.5
231.21126	3.1
231.50964	2.2
241.19482	3.4
243.21103	4.2
251.73872	2.1
255.21179	4.4
257.22534	5.2
267.21179	2.6
269.22668	4.1
271.24014	2.3
281.22751	3.1
283.24289	6.3
285.25925	3.1
295.24222	3.1
297.25809	3.3
311.27383	2.5
323.27136	2.7
324.28162	2.7
325.28760	5.0
351.30383	7.2
365.32196	2.8
407.36707	100.0
408.36987	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	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05492	11.4
56.82454	2.6
57.07069	5.9
67.05497	20.7
69.07059	33.0
71.61890	2.7
79.05479	12.5
81.07045	67.2
82.27776	2.6
83.08620	12.1
89.91254	2.3
91.05462	8.3
93.07024	26.1
95.08602	47.9
95.57001	2.2
97.10217	5.8
105.07010	18.6
105.64276	2.9
107.08588	30.0
109.10152	33.6
111.11721	4.4
111.64391	2.3
117.06966	3.2
119.08582	26.1
121.10126	27.2
123.11692	16.5
131.08519	13.7
133.10106	18.0
135.11658	13.3
137.13237	7.3
140.40157	2.6
143.08571	7.4
145.10098	15.5
147.11693	17.0
149.13211	18.1
156.09248	2.8
157.10091	9.1
159.11697	24.1
161.13226	12.9
163.14798	7.3
171.11685	9.9
173.13249	15.3
175.14822	9.1
177.16351	9.0
183.11716	3.7
185.13269	10.5
187.14842	11.0
189.16368	8.4
191.17909	4.9
195.12331	2.7
197.13239	4.5
197.62024	2.7
199.14781	6.1
201.16409	13.9
203.17935	5.5
211.14667	2.5
213.16428	8.8
215.17963	10.2
216.35736	2.8
227.18018	10.2
229.19533	10.3
231.21181	2.8
239.17827	3.4
255.21039	4.3
257.22601	4.6
269.22754	7.2
283.24277	6.7
297.25903	3.1
323.27231	3.3
325.29141	4.1
351.30661	4.4
365.31973	5.0
407.36722	100.0
408.37094	8.9
418.29605	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	408.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09409	0.4
53.54866	0.4
56.96551	0.7
57.39577	0.3
63.26896	0.4
68.57117	0.4
69.09216	0.4
69.95579	1.4
69.95995	0.9
78.27381	0.4
98.97557	1.1
116.98611	1.4
119.01891	4.8
125.85991	0.4
134.99641	2.5
137.02959	3.0
153.00774	0.5
156.97368	0.5
158.99820	0.5
174.98683	0.4
177.00937	13.3
178.01035	1.2
179.00716	0.6
182.99817	0.4
193.04036	0.5
195.01961	0.5
197.00537	0.5
200.02463	0.5
201.00909	1.0
217.03989	2.3
219.01976	24.6
220.02084	1.3
221.01813	1.1
225.00803	2.2
234.99852	0.7
242.03584	1.0
243.01962	6.2
258.06769	0.7
258.99942	1.3
260.00171	0.9
260.04669	0.5
261.03030	100.0
262.03140	7.0
263.03162	1.0
274.97375	1.0
277.01010	2.6
278.01001	1.5
279.00735	1.1
282.99896	2.0
284.00082	0.8
284.04663	6.2
284.99869	0.9
292.98526	1.0
301.00986	5.5
302.01065	3.0
303.00824	1.7
305.00632	0.5
337.76401	0.4
339.50134	0.4
359.00229	0.4
361.27914	0.6
367.02090	2.2
368.02240	0.6
384.04712	0.8
385.03137	14.9
386.03064	1.0
401.00964	0.7
403.04221	21.9
404.04257	2.2
408.04840	1.9
426.01172	0.5
426.05804	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	408.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.2
57.03407	0.1
57.06759	0.1
61.02893	0.1
67.05462	0.1
68.24197	0.1
69.03393	0.3
69.07036	0.3
71.63216	0.1
71.63587	0.2
79.05449	0.1
81.03379	0.2
81.07003	0.2
85.02897	0.5
91.05460	0.2
93.07019	0.2
95.04925	0.1
97.02851	0.1
97.06496	0.2
98.93247	0.1
105.06999	0.2
108.08065	0.2
109.02808	0.2
115.05441	0.1
116.39107	0.1
116.98582	0.1
122.05990	0.1
123.04414	0.8
124.07581	0.6
127.03849	0.1
129.10191	0.2
136.03908	0.3
136.07533	0.2
138.09088	0.3
139.03864	0.3
143.04861	0.1
145.06473	0.2
145.10094	0.4
147.32213	0.1
153.01802	0.3
154.06573	0.2
155.08536	0.4
157.08780	0.2
158.07201	0.2
159.08023	0.1
160.07570	0.2
161.05927	0.2
167.07089	0.1
171.06668	0.1
172.07404	0.1
172.11211	0.7
173.06047	0.1
173.09566	0.3
174.09082	0.2
175.07472	0.1
176.10678	0.2
182.06001	0.3
182.09651	0.2
183.07976	0.2
184.07573	0.1
185.08321	0.4
188.06995	0.3
189.07813	1.3
190.08607	0.2
190.12154	0.3
199.06265	0.3
200.07013	0.6
200.10684	1.8
201.05273	0.1
201.09053	0.4
202.08725	0.2
203.09348	0.3
210.09151	0.2
211.16937	0.2
212.06985	0.1
213.07784	0.4
214.08554	0.3
216.06561	0.4
217.07298	0.5
218.08076	1.5
218.11523	0.4
228.10138	1.1
229.08588	0.3
229.10718	0.1
230.08127	0.4
231.08862	1.3
244.09729	0.3
245.10458	0.1
246.11218	100.0
247.11546	2.9
271.06238	0.1
381.05862	0.1
408.16470	3.3
409.05377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44839	0.7
53.03931	0.9
55.05503	35.7
56.05018	1.6
58.99287	0.9
58.99580	16.4
60.99148	1.1
61.01136	1.6
70.41396	3.4
73.01136	1.9
74.32829	0.7
76.02219	10.6
76.03982	3.9
78.96181	0.7
79.05482	0.8
81.07025	2.0
83.06101	1.9
83.08607	45.2
84.04490	26.9
85.01124	1.1
86.99033	15.3
88.02189	3.2
99.02679	1.1
99.05555	2.0
101.09640	2.1
107.08598	1.3
115.05784	1.6
116.01659	67.1
123.18051	0.8
129.06552	2.7
129.07391	1.9
130.04977	6.7
141.07285	1.0
142.03177	4.0
144.01122	26.1
145.06055	1.7
159.07019	1.6
159.08368	41.9
162.02180	100.0
163.02573	1.6
168.03067	0.9
170.02779	1.1
176.11028	6.5
179.04832	1.1
187.07924	1.2
244.09911	1.4
245.05803	0.9
259.11102	1.2
261.10574	4.3
262.11047	71.6
263.11282	1.8
279.13702	37.3
333.14740	13.3
334.15463	1.0
345.14560	1.2
390.16833	1.5
391.14920	1.7
408.17944	10.9
427.61871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
56.96543	1.3
59.04979	0.7
62.96701	0.8
67.05493	3.4
69.07048	2.8
70.06577	1.5
70.86431	2.1
75.41321	0.7
76.47372	0.7
79.05501	1.7
81.07034	2.6
82.39119	0.7
83.04970	1.2
83.08572	0.7
85.02895	1.1
85.06546	3.5
86.09699	1.7
91.05434	1.8
93.07037	4.9
95.04961	1.1
95.08607	4.3
97.06465	1.0
98.97579	4.1
99.08080	35.5
99.98677	0.7
105.07037	2.4
107.08582	4.1
109.06504	1.0
109.10139	6.4
116.98615	3.0
119.08572	5.2
120.04454	1.0
121.10114	1.3
123.08071	1.4
123.11700	1.0
125.09531	0.7
133.10126	11.8
134.99570	0.9
135.11667	8.4
136.12006	0.7
137.09583	2.4
139.07439	0.8
147.04430	0.9
147.11665	2.5
148.04697	1.1
151.11186	1.4
158.99629	1.1
161.13293	1.5
175.14835	3.3
177.00771	2.1
189.12671	1.3
193.12219	2.0
193.15862	31.8
194.35783	0.7
197.04865	0.9
211.13271	2.1
213.07758	3.0
215.09293	0.9
227.56584	0.8
228.08379	1.6
237.02887	1.3
242.10046	1.2
247.13353	1.4
252.08371	1.2
262.11307	0.7
263.09506	2.0
266.09961	1.3
269.09293	0.9
270.09515	3.2
274.09128	0.9
280.07986	1.1
281.10657	2.2
285.09412	1.5
285.13892	0.7
294.09549	2.2
298.09000	4.1
301.12955	0.8
305.10477	0.9
312.10617	1.4
316.10098	2.4
322.09024	1.6
323.11685	2.1
334.11078	2.1
340.10065	2.8
358.11044	1.3
359.09879	0.8
372.12646	1.4
390.13699	10.6
391.13260	1.4
408.29892	0.9
409.18286	100.0
425.14716	3.2
427.16150	0.8
429.17990	2.7
432.82651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01867	1.5
55.05500	6.1
56.96556	4.6
57.03434	2.8
61.02925	2.5
64.93054	1.3
67.05500	8.0
69.03416	7.4
69.07059	9.2
70.06588	1.7
70.96478	1.8
70.96811	2.7
71.04985	4.3
79.05481	3.4
81.03414	5.4
81.07053	13.0
83.04966	2.2
83.08621	5.2
85.02891	12.6
85.06532	3.5
87.04475	1.9
89.12897	1.5
91.05466	6.9
93.07027	12.8
95.04967	4.3
95.08597	14.4
97.02889	7.1
97.06516	8.5
98.97588	3.0
99.04436	3.1
99.08101	1.6
105.07026	10.6
107.04936	2.0
107.08595	12.9
109.02872	1.7
109.06517	4.3
109.10149	20.4
111.08063	2.1
115.07555	4.7
119.08572	17.0
121.06638	1.4
121.10130	8.7
123.04461	2.1
123.08077	6.2
123.11703	10.8
125.09599	3.2
127.03933	4.8
127.11158	3.6
128.98578	2.1
129.06932	2.1
131.04861	1.9
131.08575	3.4
133.02812	1.7
133.10120	28.1
135.11681	23.1
137.05943	3.1
137.09602	4.8
139.11200	2.8
143.08568	1.4
145.01675	2.0
145.04939	2.3
145.06451	1.5
145.10112	5.0
146.99654	2.4
147.04359	1.7
147.08023	2.6
147.11674	6.6
149.05928	1.7
149.13281	9.5
151.11201	2.5
153.12744	2.6
159.11656	1.5
161.05865	1.8
161.09721	1.7
163.11136	3.6
167.07019	10.2
169.12186	1.7
173.06017	1.4
175.11235	2.4
175.14807	39.5
176.15112	1.8
177.16345	2.7
181.05017	2.0
191.07103	2.5
191.10603	1.9
193.15863	46.9
211.16910	100.0
212.17186	3.0
227.02260	3.6
227.12770	1.9
229.14355	4.1
237.02779	4.4
245.03931	1.8
246.11252	9.0
247.09406	33.0
247.13390	2.0
247.17044	1.9
257.04422	8.0
267.15723	2.7
303.09006	3.1
311.07898	1.6
312.09433	3.5
316.08783	2.3
321.60452	1.5
409.09009	8.3
409.14496	23.2
409.17953	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07525	3.7
56.96559	49.7
57.03431	7.1
57.31740	3.5
61.02922	6.9
69.03427	14.1
73.02887	5.1
81.03407	6.1
82.99860	4.6
84.96056	4.2
85.02887	24.6
97.02898	14.1
98.97579	41.9
101.00894	7.3
109.02952	5.3
110.97592	7.8
115.02466	7.0
116.98611	46.2
119.01905	63.5
119.04935	9.7
121.01677	7.2
123.04427	14.5
126.45647	3.8
127.03902	12.3
128.98596	10.8
131.00220	6.1
131.01901	31.0
133.01639	4.0
133.03433	26.6
134.99631	27.8
137.02968	15.8
143.01883	59.6
145.03560	30.4
146.99632	16.3
147.03365	5.6
147.04265	19.5
149.01204	6.3
149.02982	10.6
151.04561	9.1
154.16661	4.4
155.01872	28.5
157.03447	18.3
158.99664	11.2
160.97543	10.6
161.01402	8.2
161.02937	100.0
163.02733	7.5
163.03838	19.4
165.00684	7.4
168.99876	9.4
170.99802	7.2
171.01396	14.1
173.02963	78.1
174.99173	11.9
175.02763	8.6
175.04527	10.7
176.47240	4.9
177.00775	21.9
177.02148	4.5
177.05521	4.0
183.01517	6.8
184.04654	9.8
185.02899	19.4
185.64642	3.7
187.00900	25.1
187.02545	5.9
187.04425	13.7
188.97131	19.5
189.00710	12.4
189.02457	25.3
190.98624	5.7
191.04028	15.6
193.00195	22.2
197.02972	8.2
199.00885	11.5
199.02657	4.7
201.00734	8.7
201.02489	11.0
201.06075	6.1
203.03998	22.8
206.98155	17.2
207.01720	8.1
207.03551	7.2
211.01059	7.1
213.02457	8.4
215.00374	12.8
215.55238	5.9
217.00102	6.2
217.01970	34.2
219.01770	14.9
219.03551	9.9
220.99672	9.6
221.05096	17.6
223.04668	5.4
229.01970	7.3
231.03569	27.2
237.02814	28.6
239.04031	5.6
239.06169	14.7
243.03470	8.0
245.04770	12.6
247.02971	9.8
249.04648	9.4
251.04314	4.5
255.01216	5.9
257.04483	19.4
259.03036	15.2
260.99100	7.6
263.06238	16.4
269.05356	7.3
271.06238	4.4
275.02737	8.0
279.03873	9.7
281.05411	15.9
287.05582	22.0
288.98761	11.1
289.03946	48.4
293.05545	10.6
301.03998	24.1
303.11349	9.9
306.99490	5.2
307.05115	70.4
309.04819	9.6
316.98102	9.6
317.75610	4.1
319.05038	27.8
321.01065	6.2
321.12323	15.1
330.06619	11.9
333.06613	14.7
349.07864	5.0
361.06161	7.7
367.09012	8.8
367.13245	8.9
377.05661	10.5
391.07111	4.9
409.08951	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	409.081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07525	3.7
56.96559	49.7
57.03431	7.1
57.31740	3.5
61.02922	6.9
69.03427	14.1
73.02887	5.1
81.03407	6.1
82.99860	4.6
84.96056	4.2
85.02887	24.6
97.02898	14.1
98.97579	41.9
101.00894	7.3
109.02952	5.3
110.97592	7.8
115.02466	7.0
116.98611	46.2
119.01905	63.5
119.04935	9.7
121.01677	7.2
123.04427	14.5
126.45647	3.8
127.03902	12.3
128.98596	10.8
131.00220	6.1
131.01901	31.0
133.01639	4.0
133.03433	26.6
134.99631	27.8
137.02968	15.8
143.01883	59.6
145.03560	30.4
146.99632	16.3
147.03365	5.6
147.04265	19.5
149.01204	6.3
149.02982	10.6
151.04561	9.1
154.16661	4.4
155.01872	28.5
157.03447	18.3
158.99664	11.2
160.97543	10.6
161.01402	8.2
161.02937	100.0
163.02733	7.5
163.03838	19.4
165.00684	7.4
168.99876	9.4
170.99802	7.2
171.01396	14.1
173.02963	78.1
174.99173	11.9
175.02763	8.6
175.04527	10.7
176.47240	4.9
177.00775	21.9
177.02148	4.5
177.05521	4.0
183.01517	6.8
184.04654	9.8
185.02899	19.4
185.64642	3.7
187.00900	25.1
187.02545	5.9
187.04425	13.7
188.97131	19.5
189.00710	12.4
189.02457	25.3
190.98624	5.7
191.04028	15.6
193.00195	22.2
197.02972	8.2
199.00885	11.5
199.02657	4.7
201.00734	8.7
201.02489	11.0
201.06075	6.1
203.03998	22.8
206.98155	17.2
207.01720	8.1
207.03551	7.2
211.01059	7.1
213.02457	8.4
215.00374	12.8
215.55238	5.9
217.00102	6.2
217.01970	34.2
219.01770	14.9
219.03551	9.9
220.99672	9.6
221.05096	17.6
223.04668	5.4
229.01970	7.3
231.03569	27.2
237.02814	28.6
239.04031	5.6
239.06169	14.7
243.03470	8.0
245.04770	12.6
247.02971	9.8
249.04648	9.4
251.04314	4.5
255.01216	5.9
257.04483	19.4
259.03036	15.2
260.99100	7.6
263.06238	16.4
269.05356	7.3
271.06238	4.4
275.02737	8.0
279.03873	9.7
281.05411	15.9
287.05582	22.0
288.98761	11.1
289.03946	48.4
293.05545	10.6
301.03998	24.1
303.11349	9.9
306.99490	5.2
307.05115	70.4
309.04819	9.6
316.98102	9.6
317.75610	4.1
319.05038	27.8
321.01065	6.2
321.12323	15.1
330.06619	11.9
333.06613	14.7
349.07864	5.0
361.06161	7.7
367.09012	8.8
367.13245	8.9
377.05661	10.5
391.07111	4.9
409.08951	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	409.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	1.0
70.06574	1.9
71.19393	0.9
72.08197	0.4
81.03436	0.4
81.07013	0.5
84.04517	0.6
85.02888	1.1
86.09679	1.0
91.05464	3.2
92.05818	0.4
97.02876	0.6
97.06516	0.4
105.06979	0.6
116.98608	0.7
118.88591	0.4
119.08565	0.5
121.14618	0.4
123.04407	1.8
124.01443	0.4
125.09620	0.5
126.04680	0.4
127.03834	0.4
128.98647	0.4
139.03879	1.2
147.04378	0.9
149.09567	0.4
151.98865	0.4
163.03889	3.3
185.04204	2.2
199.08185	0.6
203.03522	0.4
213.05544	0.6
219.01669	0.5
239.08200	0.7
241.04955	0.5
243.07570	0.5
245.04416	1.2
246.04936	2.2
247.05774	12.3
257.04440	2.3
259.05969	2.2
262.11075	1.8
271.07068	0.4
285.08755	1.6
285.11810	0.4
287.05554	1.2
289.08182	0.9
295.81262	0.4
307.09592	0.4
313.08060	1.7
315.09622	0.6
325.28876	0.4
331.09259	2.8
337.57025	0.4
349.10342	1.7
359.08865	0.6
377.09747	0.9
391.11249	1.1
409.10962	100.0
409.18155	63.1
410.11438	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
58.99580	0.3
69.03402	0.3
70.15678	0.9
70.16083	0.5
83.08597	0.9
84.04501	0.7
116.01665	1.3
123.04401	1.5
144.01097	0.6
145.28265	0.3
147.04414	0.4
151.03929	0.4
159.08421	0.5
160.08685	0.3
162.02205	2.4
163.02518	0.9
177.05472	0.4
197.07094	0.5
198.07870	0.5
199.08662	1.6
200.09314	0.4
203.03447	0.5
211.08646	2.7
211.12210	0.4
212.09442	0.6
213.10223	1.7
215.08084	0.4
215.11754	0.8
217.09827	0.9
223.12202	0.6
224.09251	0.3
225.06520	0.6
225.10158	2.8
226.10974	0.6
227.08151	0.7
227.11861	0.4
229.04950	0.5
229.09731	1.4
238.07393	0.6
239.08141	3.6
239.11771	2.9
240.08838	2.0
241.09634	3.7
241.13416	0.5
242.10422	0.9
243.07608	0.9
243.11281	4.8
245.04417	0.5
252.08960	0.6
253.09682	4.1
254.10423	0.6
257.04477	1.3
257.09164	1.7
257.12814	0.9
258.04892	0.4
258.09940	0.9
259.10770	2.3
262.11105	1.2
263.11346	1.3
267.07663	1.3
267.11261	3.2
268.08398	4.4
269.09189	0.9
269.12891	0.5
271.10751	19.2
272.11258	0.7
273.12302	1.9
275.10260	2.0
277.11850	3.1
279.11230	0.4
280.13953	0.6
281.09204	1.4
283.10715	0.4
285.08740	1.1
285.12320	3.3
287.05441	2.2
287.13934	0.4
289.11765	1.4
290.13068	0.3
291.13568	0.3
295.10818	3.1
297.12259	0.5
299.10251	0.9
299.13629	0.6
300.10968	1.1
303.09943	0.5
303.13165	0.7
308.07928	0.3
313.11731	4.9
314.12018	0.4
317.11349	2.1
318.12064	0.6
323.10257	6.6
327.13300	1.6
329.14917	0.6
331.12857	0.9
334.15237	0.4
335.12274	3.0
341.11292	12.1
345.14417	1.4
347.15991	0.4
349.14316	0.4
353.93066	0.4
355.12827	3.1
359.12308	2.0
363.15436	0.5
373.13913	11.2
374.14279	0.4
391.14929	17.6
392.15271	0.8
404.03809	0.4
409.09821	4.0
409.16000	100.0
410.16299	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
55.05494	0.6
56.96564	1.1
57.03411	0.7
58.99582	0.5
60.41051	0.5
65.03934	0.7
66.06126	0.5
67.05484	0.7
68.99770	1.3
69.03427	2.5
69.07055	1.7
70.06589	3.4
71.04974	0.6
72.08152	0.7
79.05469	0.8
81.03398	0.7
81.07056	1.5
84.04512	1.2
84.08168	0.6
85.02895	2.4
85.07630	0.7
86.09697	2.2
91.05469	7.0
92.05795	1.3
93.07070	1.0
95.04944	0.9
95.08605	1.5
97.02889	0.9
98.20683	1.1
98.97578	1.2
105.03427	0.6
105.06998	0.9
107.04932	0.6
107.08573	1.1
109.06532	0.8
109.10127	0.7
116.98602	0.8
119.04940	1.3
119.08578	1.0
119.74380	0.6
120.08044	0.7
121.02897	1.0
121.06487	0.7
121.10149	1.0
123.04429	6.0
125.09600	1.1
127.03916	0.8
134.99562	0.7
136.07565	0.6
136.45970	0.5
139.03859	4.0
144.46712	0.5
145.04889	0.5
145.06503	0.7
145.10086	0.6
147.04388	4.5
147.11659	0.6
149.09641	1.5
153.01738	0.7
153.05429	0.8
157.06479	0.6
161.05992	1.5
163.02519	1.1
163.03885	19.7
163.07610	0.6
164.04178	0.9
165.05508	0.6
167.07175	0.8
173.06010	1.1
175.03893	0.9
183.14824	0.5
185.05986	1.3
189.05428	1.3
193.04977	0.7
199.08131	1.8
201.05399	0.7
203.03535	1.0
213.05359	2.6
215.08180	1.0
217.04944	0.7
219.01657	0.9
229.04962	1.8
229.15790	0.7
231.06458	1.0
237.02733	1.3
239.08185	1.8
241.04942	2.3
241.09955	0.7
243.07455	2.2
245.04402	2.9
247.05916	8.8
247.11479	0.8
248.36745	0.5
257.04480	6.7
257.09192	1.2
258.05008	0.8
259.06000	11.0
261.08508	0.7
262.11121	1.4
265.12830	1.3
267.07562	1.0
269.09171	0.8
271.06940	1.8
271.10568	0.6
283.06274	1.1
285.08746	3.6
287.05484	4.8
289.08105	2.5
297.08771	0.8
299.05399	0.8
299.08923	0.6
303.09732	1.5
311.09451	0.5
313.08252	3.8
315.09705	1.7
331.09198	7.1
333.10748	1.2
341.07474	0.6
349.10327	4.1
359.08734	1.9
362.37924	0.6
367.11502	0.6
377.09747	2.4
391.11328	2.3
392.16708	0.6
409.10434	23.8
409.18228	100.0
410.10535	1.9
410.18466	2.6
434.46536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46894	0.2
56.96561	0.3
63.17670	0.2
67.05491	0.5
69.69585	1.5
71.04981	0.3
72.08101	0.2
75.10069	0.2
79.05466	0.3
81.07047	0.4
82.87564	0.2
83.80470	0.2
85.02881	0.5
85.06508	0.5
85.99529	0.2
86.09715	0.2
91.05483	0.3
93.07011	0.9
95.04917	0.5
95.08593	0.7
97.02879	0.2
98.97583	1.2
99.08089	4.2
100.08428	0.5
101.03516	0.2
105.07027	0.4
106.69579	0.2
107.08581	0.9
109.10123	0.7
110.10493	0.2
116.98615	0.6
119.08533	0.7
121.10114	0.5
123.11686	0.3
125.09610	0.3
128.98639	0.3
131.08542	0.3
133.10135	1.5
134.10480	0.5
134.99673	0.3
135.11664	0.8
137.09579	0.5
149.09648	0.3
151.11160	0.3
158.99612	0.3
159.11688	0.2
175.14839	0.4
177.00677	0.6
185.04179	0.2
189.08916	0.5
191.14325	0.4
193.15833	1.8
194.16179	1.2
213.07765	0.4
215.66422	0.2
219.01749	0.3
229.11943	0.6
232.10631	0.3
237.02802	0.7
245.04320	0.2
247.13098	1.0
285.09396	1.4
285.13373	0.6
309.13828	0.4
312.73907	0.2
349.10120	0.3
391.14215	0.3
409.18280	100.0
410.18591	5.7
411.16708	0.3
427.16452	0.4
429.17883	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	0.3
69.96015	1.2
77.69894	0.3
81.07053	0.3
85.02867	0.4
89.95941	0.2
91.05454	0.4
93.07024	0.3
107.01054	1.9
107.08591	0.3
107.13341	0.3
109.02814	0.3
116.98617	0.3
119.08536	0.5
122.06795	0.2
123.04401	0.4
131.08536	0.3
133.10138	0.3
146.45506	0.2
147.04379	0.4
173.13293	0.3
203.03572	0.3
203.05209	1.6
229.04996	0.4
245.04373	0.5
247.13008	1.8
257.04514	2.2
285.09161	0.3
372.32657	0.3
409.18268	100.0
410.18619	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00622	0.2
62.06083	0.2
71.61691	0.2
79.05462	0.2
85.02871	0.3
86.09689	0.2
93.07001	0.3
95.08631	0.2
106.91610	0.2
107.01074	0.2
107.08561	0.3
109.10172	0.4
119.08580	0.4
133.10097	0.3
135.11676	0.3
136.12054	0.2
145.10077	0.2
203.05142	0.4
211.16888	0.7
212.17203	1.3
247.13086	2.6
247.20935	0.3
257.04288	0.4
409.18283	100.0
410.18698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05508	2.2
56.96544	0.5
57.07064	0.5
62.49293	0.4
67.05497	4.6
69.07047	1.7
69.26882	0.4
70.83504	0.5
70.83834	1.0
71.04978	0.8
75.42239	0.4
77.67870	0.4
79.05482	4.2
81.03403	0.8
81.07048	10.4
83.04964	0.7
83.08600	1.7
91.05468	3.7
93.07021	3.2
95.04957	1.3
95.08593	3.8
97.06506	1.0
97.10188	0.5
99.08087	0.5
105.07019	4.6
106.60705	0.4
107.04924	1.0
107.08554	2.8
109.06509	3.5
109.10148	2.6
117.07003	1.4
119.08556	3.2
121.06448	0.5
121.10101	1.9
123.08082	1.0
123.11664	0.7
129.06924	0.5
131.08554	2.0
133.10124	2.8
135.08044	0.8
135.11662	1.6
137.09656	0.5
141.06972	0.4
145.10104	2.8
147.08093	0.5
147.11705	2.3
149.09592	1.3
149.13232	1.8
157.10120	1.5
159.11679	1.8
161.13202	1.1
163.11177	1.4
163.14722	0.5
165.12772	0.8
171.11696	0.7
173.13277	0.7
175.11206	0.8
175.14836	1.0
177.12753	0.7
177.16414	0.5
187.14793	2.1
193.12167	0.6
197.13210	0.5
257.19012	1.2
275.20062	7.9
293.21106	1.8
313.21307	0.4
313.78534	0.4
325.16476	0.5
349.16876	1.1
367.18304	0.6
409.25607	100.0
410.25894	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	409.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84759	0.4
53.03955	0.4
55.01870	0.3
55.05502	1.1
57.03405	0.4
58.65999	0.4
67.05148	0.5
67.05498	4.4
67.47257	0.3
67.79176	0.3
69.03417	0.6
69.07069	2.1
69.87251	1.6
71.04980	1.0
73.79166	0.4
79.05489	4.2
81.07049	9.2
83.04951	0.8
83.08619	1.7
88.10982	0.4
91.05469	3.2
93.07030	3.4
95.04932	0.9
95.08589	3.3
97.06521	0.6
99.08063	0.5
105.07015	3.6
107.04961	1.3
107.08574	2.5
109.06520	2.9
109.10139	2.0
111.08074	0.5
114.48779	0.3
117.06992	0.9
119.08579	3.2
121.06518	0.6
121.10140	2.1
123.08050	0.8
123.11707	0.8
129.07011	0.5
131.08528	2.2
133.10135	2.3
135.11711	1.1
137.09589	0.7
143.08548	0.6
145.10094	2.2
147.11690	2.7
149.09633	1.1
149.13240	0.7
157.10126	0.9
159.11694	1.8
161.09575	0.4
163.11162	1.0
163.14853	0.6
165.12756	0.6
171.11696	0.5
173.13281	0.8
175.11176	0.5
175.14789	0.6
177.12712	0.7
187.14818	2.2
189.16415	0.4
191.14201	0.4
201.16261	0.6
203.17870	0.4
205.15894	0.4
239.18152	0.6
247.20322	0.3
257.18909	0.8
267.84723	0.4
275.20035	6.8
276.20370	0.8
293.21036	1.0
295.15115	0.9
309.16699	0.6
349.16699	0.6
409.25610	100.0
410.25974	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.1
55.01868	3.4
55.05503	17.6
57.03428	3.7
57.07061	10.6
59.05001	3.6
66.18876	2.1
67.05493	28.0
69.03451	4.0
69.07054	21.5
71.36383	3.0
71.36733	2.8
79.05488	27.8
81.07047	58.6
83.04983	6.1
83.08598	12.6
85.06536	6.1
91.05466	36.2
93.07037	57.6
95.04962	35.7
95.08597	95.2
97.06508	9.4
97.10167	2.6
105.07020	100.0
107.08588	66.9
109.06515	11.4
109.10156	40.1
109.10837	4.5
111.11697	2.6
115.05402	4.3
117.06965	11.7
119.08575	82.2
121.06515	12.5
121.10133	55.2
123.08035	16.2
123.11706	14.4
128.06207	6.5
129.06995	8.7
130.07758	2.4
131.08549	23.4
133.06488	5.3
133.10120	43.9
135.08069	13.2
135.11664	24.0
137.09598	6.9
137.13264	5.4
141.06955	3.7
142.07771	8.0
143.08528	20.4
144.09338	4.1
145.10109	49.7
147.08017	13.9
147.11674	52.2
149.09584	9.6
149.13263	20.8
151.07521	16.4
155.08545	6.6
156.09328	6.7
157.10110	21.3
159.08008	7.4
159.11671	28.9
161.09625	6.5
161.13235	21.1
163.11211	7.1
163.14786	14.2
165.09116	23.3
167.08574	2.7
168.09265	3.7
169.10104	10.3
170.10768	3.1
171.11699	15.1
173.13185	13.2
174.10320	3.9
175.11148	22.7
175.14781	19.3
177.09084	3.4
177.16373	23.8
181.10030	5.8
182.10783	2.3
183.11684	10.5
185.13213	6.0
187.11111	5.3
187.14757	22.1
189.12747	5.5
189.16403	19.9
191.14314	4.3
191.17953	13.6
195.11743	5.5
197.13231	6.3
199.14766	5.8
201.12738	6.5
201.16354	10.6
203.14267	19.3
203.17950	22.4
205.15845	27.7
205.19540	4.2
207.13802	6.1
209.15181	2.5
211.14873	9.3
213.16389	7.5
215.17935	10.1
217.19472	4.9
219.13794	3.5
219.17493	4.6
221.13310	2.0
221.15323	57.4
222.15671	3.4
225.16411	4.6
227.17984	7.2
229.15842	4.3
229.19470	3.8
231.13684	2.7
231.17465	3.4
231.21016	3.4
233.15408	3.7
234.16101	10.4
239.17854	3.4
241.19662	2.6
243.21075	4.6
245.19038	4.2
245.22926	2.9
253.15462	2.6
253.19429	3.0
255.21199	4.5
257.22531	3.9
269.19147	2.7
285.22525	2.4
285.25677	5.9
287.19968	7.9
295.24152	5.6
296.43988	2.3
313.25293	8.8
329.21378	4.1
391.26175	5.2
391.33545	18.3
409.27283	58.4
409.34576	83.2
410.27676	3.7
415.45352	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.02354	1.9
53.03934	4.2
55.01860	2.4
55.05500	19.4
57.03440	2.1
57.07058	6.7
59.04985	3.7
65.03942	3.7
67.05500	26.0
67.17017	1.9
69.03423	8.1
69.07059	13.6
70.44078	6.4
71.04975	3.1
74.17996	1.5
79.05046	2.4
79.05485	26.9
81.03436	2.2
81.07046	44.1
83.04980	7.7
83.08605	6.2
85.06521	3.3
91.05472	43.3
93.07033	56.0
94.07368	1.6
95.04956	51.7
95.08594	53.3
97.06506	13.8
103.05463	1.6
105.07016	100.0
107.04962	2.2
107.08579	48.9
107.09284	3.5
109.06508	18.1
109.10146	29.3
111.08078	4.5
115.05458	3.8
117.06991	16.3
119.08565	76.4
121.06492	19.8
121.10132	26.8
123.08041	26.0
123.11695	5.5
125.05947	1.8
125.09569	1.9
127.11186	1.6
127.63144	1.5
128.06216	6.9
129.07004	11.2
130.07774	4.8
131.08543	27.0
133.06467	4.4
133.08638	1.8
133.10112	33.7
134.04172	1.3
135.08037	17.2
135.11691	9.9
137.05972	2.2
137.09563	8.6
137.13266	2.7
139.11169	3.4
141.06990	4.7
142.07777	15.0
143.08545	21.4
144.09308	3.5
145.06477	3.9
145.10114	43.5
145.11264	2.1
146.10905	1.8
147.08017	17.1
147.11670	38.1
147.12776	2.6
149.09613	12.6
149.13234	6.4
151.07523	70.9
153.07010	3.5
153.09047	3.4
154.07742	2.0
155.08528	11.7
155.10516	1.8
156.09326	6.8
157.10112	31.1
159.08014	7.8
159.11682	19.2
160.11996	2.3
161.09631	9.7
161.13287	10.0
163.11180	6.3
163.14839	4.5
165.09102	32.0
166.09406	2.0
167.08553	3.6
168.09291	5.7
169.10089	14.2
170.10823	3.2
171.07965	2.0
171.11668	16.0
172.12314	1.4
173.09605	7.0
173.13171	10.6
175.11179	26.4
175.14795	8.1
175.47603	1.6
175.83450	1.6
177.09113	3.8
177.16365	5.5
178.09953	1.6
179.08542	2.6
181.10098	6.1
181.12233	4.7
181.45808	1.7
182.10910	1.9
183.11649	14.3
185.09660	2.0
185.13210	7.8
187.11201	4.9
187.14841	10.9
189.12735	8.0
189.16406	4.7
191.14296	3.0
191.17990	1.9
193.10133	3.3
194.10854	3.8
195.11755	4.6
196.12498	2.9
197.13248	7.0
199.11214	4.5
199.14763	3.4
201.12685	10.8
201.16422	5.7
203.14328	14.0
203.17842	7.3
205.15938	7.5
207.11787	3.4
207.13815	10.3
209.13257	6.2
209.15427	5.2
211.14813	11.3
213.12718	2.3
213.16394	6.0
215.14183	2.7
215.17902	3.4
217.19482	5.1
219.13837	3.9
221.13309	3.8
221.15326	82.6
222.15797	3.9
223.14912	3.2
225.16331	4.1
227.14333	3.7
229.15819	8.4
231.13731	3.9
233.15379	2.8
234.16129	12.5
235.14781	3.9
237.16553	1.9
241.15915	2.1
253.15955	3.9
269.19183	3.6
269.22620	1.8
286.19165	4.0
287.20053	11.1
299.20105	3.7
300.20782	5.5
307.20657	2.2
311.19867	1.7
313.25113	2.2
317.20975	2.4
329.21164	6.1
353.21249	2.4
373.25217	2.8
391.26270	8.6
391.33591	1.7
409.27295	83.9
409.34528	18.2
410.27713	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01308	0.9
53.03944	2.3
54.91669	0.9
55.01856	1.5
55.05254	1.2
55.05505	17.5
57.03412	1.2
57.07069	6.3
59.04976	2.8
60.75587	0.9
65.03925	2.1
67.05499	19.9
69.03413	5.7
69.07057	8.8
69.38977	9.2
71.04979	1.1
77.03905	1.1
77.93579	0.9
79.05479	21.3
79.05943	1.3
81.03404	1.2
81.06563	1.9
81.07046	37.6
83.04962	4.2
83.08588	3.4
85.06540	3.0
91.05468	32.7
93.07033	43.5
95.04958	47.9
95.08594	42.2
97.06539	7.7
97.10147	2.1
98.21484	1.0
103.05472	1.8
105.07016	100.0
107.04946	1.4
107.08578	33.8
109.06508	11.2
109.10138	15.1
109.10825	1.6
111.08066	3.4
113.09570	0.9
115.05466	1.9
116.06232	1.4
117.07008	12.7
119.04929	1.6
119.08566	64.0
121.06480	14.0
121.10125	24.7
123.08045	15.2
123.11668	4.4
123.32265	0.9
125.05978	1.6
125.09601	1.3
128.06189	4.7
129.07008	7.9
130.07770	3.7
131.08551	23.8
132.09354	1.7
133.06471	3.9
133.10115	21.9
135.08037	12.3
135.11679	9.1
137.05992	1.0
137.09619	6.5
137.13235	1.1
141.06949	3.1
142.07756	10.5
143.08548	15.4
144.09308	3.7
145.06447	2.2
145.10100	37.5
145.11272	2.0
146.10619	1.1
147.08035	13.2
147.11667	43.0
149.09625	9.9
149.13240	5.2
151.07523	16.5
153.07022	1.7
153.09074	2.5
155.08507	6.6
156.09380	5.1
157.10101	19.3
158.08655	1.0
158.10834	2.1
159.07965	4.5
159.11671	15.1
160.08795	2.3
161.09601	7.4
161.13229	8.2
163.11201	5.2
163.14836	3.5
165.09088	27.1
167.08560	2.4
167.10709	1.1
168.09335	3.4
169.10123	8.6
170.10898	1.6
171.11693	9.5
172.12383	1.4
173.09676	4.4
173.13232	8.5
174.10452	1.2
175.11165	30.7
175.14775	7.0
176.11517	1.2
177.09076	5.1
177.16357	7.1
178.09889	1.9
179.08513	1.7
180.09338	1.3
181.10068	3.3
181.12234	1.8
182.10823	1.8
183.11662	11.4
185.13187	4.4
187.11162	4.3
187.14806	8.0
189.12738	5.3
189.16357	5.9
191.10541	1.0
191.14322	2.7
191.17928	2.2
193.10130	2.2
193.15843	1.0
194.10860	1.8
195.11676	3.7
196.12454	1.8
197.13246	4.9
199.11189	2.3
199.14801	3.3
201.12720	9.5
201.16353	6.9
203.14297	11.9
203.17949	8.4
205.12154	1.3
205.15833	5.8
207.11615	2.6
207.13780	6.0
209.13231	3.9
209.15370	3.5
210.13849	1.1
211.11194	1.6
211.14812	5.8
213.12743	3.0
213.16444	2.9
215.14319	2.4
215.17963	3.3
216.15126	1.9
217.15865	1.3
217.19470	2.0
218.11002	1.1
219.13779	4.3
219.17450	1.2
221.15334	67.7
222.15717	2.6
223.14751	2.4
225.16353	1.8
227.14352	1.4
227.17891	2.1
229.15926	4.6
229.19547	2.5
231.13811	2.6
233.15390	3.6
234.16092	18.0
235.16684	1.4
239.14310	1.1
239.17966	1.5
241.19527	2.2
243.21120	1.1
247.16862	1.3
253.15831	2.0
255.14014	1.2
255.21065	2.1
267.17261	1.1
269.19183	1.4
281.19028	2.0
282.19702	1.1
286.19254	2.9
287.19992	5.7
300.20840	7.1
311.19901	1.0
312.20703	1.0
313.25192	2.3
329.21091	5.2
335.19998	1.3
353.21088	1.4
373.25119	1.3
391.26221	6.1
391.33685	2.1
392.31522	1.2
409.27240	39.8
409.34598	20.6
410.27673	3.4
410.35257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.6
55.01858	2.2
55.05499	17.1
57.03420	1.2
57.07059	6.5
58.10809	1.3
59.04992	2.4
65.03922	2.1
66.91286	1.3
67.05493	21.7
69.03411	6.4
69.07051	8.7
69.39066	6.6
69.39489	5.8
73.06560	1.2
77.03893	1.7
79.05481	20.7
81.03447	1.3
81.07045	33.4
83.04939	4.6
83.08635	2.0
85.06499	2.1
91.05462	31.0
91.06001	2.3
93.07025	47.1
93.81136	1.2
95.04951	45.5
95.08597	38.6
97.06508	8.0
97.10141	1.4
98.20847	2.7
98.21509	2.4
103.05453	4.9
105.07012	100.0
106.07315	2.9
107.04916	1.8
107.07849	2.2
107.08575	36.8
109.06500	12.2
109.10134	19.0
111.08100	3.3
115.05420	2.2
117.06997	13.1
119.04916	1.9
119.08560	65.1
121.06496	14.4
121.10122	21.6
121.10956	1.0
123.08064	17.1
123.11676	2.1
128.06172	3.2
129.06992	9.3
130.07722	5.0
131.08545	20.3
132.09283	2.5
133.06459	5.7
133.10115	22.0
135.08043	14.1
135.11673	9.2
137.06017	2.0
137.09625	8.2
141.06934	3.8
142.07788	10.4
143.08545	16.2
144.09261	4.6
145.06425	2.6
145.10098	41.7
146.10640	1.4
147.08006	15.0
147.11662	43.7
148.11992	2.3
149.09557	9.4
149.13216	5.0
151.07524	17.9
153.08987	1.5
155.08566	7.2
156.09332	5.5
157.10112	20.0
159.08038	4.8
159.11658	16.5
160.08759	1.8
161.09598	8.3
161.13220	5.3
163.11147	5.8
163.14784	3.6
165.06953	1.6
165.09099	23.5
167.08556	3.0
168.09348	2.9
169.10110	9.4
170.10873	3.4
171.11723	9.1
173.09616	3.5
173.13203	9.7
175.11169	23.3
175.14787	5.7
177.09071	2.4
177.16354	4.9
178.09854	2.5
179.08617	1.7
181.10077	5.0
181.12195	3.1
182.10852	3.3
183.11708	11.6
185.13235	4.6
187.11099	4.7
187.14784	8.1
189.12762	6.0
189.16319	4.0
191.14366	1.6
191.17844	1.4
193.10068	2.2
195.11694	3.6
196.12411	1.7
197.13216	3.2
199.11185	2.7
199.14813	3.2
201.12733	6.8
201.16373	4.3
203.14301	13.5
203.17902	5.9
205.15826	4.7
207.11909	2.3
207.13658	7.0
209.13281	3.1
209.15338	3.5
211.14766	3.6
213.12723	2.7
213.16330	4.3
215.14381	2.3
215.17911	3.6
216.15118	1.9
219.13728	4.3
219.17621	1.5
221.13393	2.8
221.15315	63.6
222.15797	3.2
223.14738	2.8
225.16310	1.9
229.15826	3.6
233.15294	3.2
234.16087	17.0
239.17908	1.7
241.19672	1.7
247.17041	1.9
249.16283	1.8
253.15889	2.0
255.20940	1.9
266.57443	1.3
286.19345	2.7
287.19958	5.2
295.23987	2.1
299.19925	1.7
300.20728	6.0
329.21127	5.9
353.20764	1.7
391.26291	6.7
391.33615	1.5
409.27228	45.8
409.34503	15.1
410.27768	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	0.7
55.05502	9.0
57.07044	2.3
62.13464	0.6
65.03925	0.8
66.18583	0.5
67.05170	0.9
67.05492	15.0
69.07058	19.4
69.40142	6.0
77.03894	1.2
79.05057	0.9
79.05483	13.4
81.07045	31.7
83.04948	0.7
83.08147	0.6
83.08607	8.7
89.66288	0.7
91.05464	12.6
93.07029	35.7
94.07346	0.9
95.04937	2.3
95.08592	63.1
96.08900	1.4
97.06537	0.7
97.10148	4.1
98.21214	2.7
105.07014	30.0
106.07246	0.6
107.08578	63.2
108.08896	1.1
109.06476	1.7
109.10139	31.7
111.08076	1.3
111.11679	1.8
117.06999	3.6
119.08563	34.3
121.10123	55.7
122.10431	1.6
123.08054	1.0
123.11697	9.2
129.06990	1.0
131.08553	6.4
133.10110	29.4
135.08058	5.3
135.10666	1.4
135.11673	24.3
136.11983	0.8
137.09570	1.9
137.13190	2.3
143.08531	2.2
144.09335	1.1
145.09021	1.1
145.10107	16.0
146.10547	0.8
147.11668	22.8
149.09575	1.5
149.13242	33.1
150.13629	0.8
151.14780	1.2
153.12668	1.1
157.10109	1.8
158.10840	1.3
159.11674	9.9
160.12384	0.8
161.09645	0.9
161.13232	12.8
161.14566	0.9
163.11176	8.9
163.14798	28.8
171.11630	1.7
172.12489	1.4
173.13235	5.4
174.14117	0.7
175.11140	2.6
175.14806	29.8
176.15248	0.7
177.12927	3.2
177.16357	46.6
178.16669	1.3
179.14275	0.7
183.11555	0.8
185.13235	1.9
187.14806	17.7
189.12704	0.8
189.16360	17.4
191.14311	1.7
191.17908	12.9
199.14836	1.3
201.16331	7.8
203.17924	100.0
204.18283	2.7
205.15848	73.4
205.19469	5.5
206.16180	1.6
207.17502	1.1
213.16353	2.4
215.17957	3.4
217.15866	1.8
217.19557	3.0
219.17393	6.3
227.17940	1.3
229.19522	1.8
231.17433	5.9
231.21045	1.5
233.18932	1.8
241.19524	1.5
243.21069	1.1
246.62796	0.6
255.21013	1.1
257.22653	1.0
259.20514	1.0
267.21030	1.1
269.22577	0.8
295.24115	0.9
313.25064	1.2
381.35135	2.4
391.33411	4.8
409.34619	91.1
410.34995	5.8
430.06055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95153	0.7
53.03931	1.5
55.05497	7.8
57.07056	2.8
59.04934	0.7
64.13803	0.7
65.03929	1.2
66.57473	0.8
67.05158	1.5
67.05496	20.3
69.07063	16.9
69.60566	6.3
79.05486	20.5
79.52074	0.8
81.07048	24.4
83.04938	1.1
83.08604	8.7
91.05464	12.5
93.07033	31.6
95.04956	1.8
95.08596	81.0
96.08912	1.2
97.06519	1.3
97.10123	4.0
98.20639	1.3
99.08069	0.9
105.07024	23.6
107.08581	100.0
108.08897	2.8
109.06527	2.3
109.10144	36.8
111.08041	1.1
114.50872	0.8
117.07001	3.3
119.08569	30.7
121.10128	57.2
122.10580	1.0
123.08005	1.4
123.11698	9.7
130.07771	0.9
131.08569	7.5
133.10114	29.3
134.10391	1.2
135.08022	6.1
135.11676	26.6
137.13242	4.0
143.08556	2.9
144.09265	0.9
145.10100	18.7
145.11780	0.9
146.10411	0.9
147.11673	16.3
149.09615	4.7
149.13235	23.2
157.10138	3.3
159.11670	11.0
161.09621	1.6
161.13223	14.1
163.11166	16.8
163.14809	14.9
165.16438	1.0
171.11673	3.2
172.12529	1.1
173.13272	7.3
175.11221	2.8
175.14806	30.6
176.15092	1.1
177.12744	3.6
177.16365	46.8
178.16676	1.9
183.11630	1.6
185.13249	3.7
187.14806	18.4
187.16414	1.4
189.12778	1.4
189.16354	14.1
191.14320	2.0
191.17912	8.8
197.13214	0.8
199.14777	4.0
201.16383	8.4
203.14330	2.5
203.17931	49.9
204.18301	1.2
205.15854	98.3
206.16209	3.4
207.17368	1.6
211.14851	1.1
213.16368	3.8
215.14124	0.9
215.17969	8.4
217.15848	1.9
217.19527	1.4
219.17377	4.6
225.16411	1.9
227.17966	2.9
229.19505	3.4
231.17506	3.9
231.21088	1.5
233.19002	1.1
239.17920	2.1
241.19511	2.8
243.21077	3.2
245.18974	2.7
253.19334	1.2
255.21057	2.9
259.20493	1.0
267.21017	1.3
285.25732	9.9
295.24152	18.2
313.25232	22.8
314.25378	2.3
321.25644	1.0
339.26831	4.8
343.15024	1.1
381.35175	1.9
391.33499	6.3
409.34598	60.9
410.34952	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05500	8.6
57.07064	3.5
65.03934	2.2
67.05496	20.7
69.06719	1.2
69.07061	18.9
69.60166	8.8
75.25999	1.0
75.80699	1.1
79.05482	24.4
81.07049	35.3
83.08614	9.3
91.05460	13.9
93.06452	2.2
93.07037	36.8
95.04953	1.6
95.08596	84.0
96.08919	1.3
97.06475	1.2
97.10164	3.8
101.01294	1.1
105.07020	25.8
107.08581	100.0
109.01134	1.0
109.06490	2.3
109.10145	40.0
109.10897	1.9
111.08089	1.7
111.11740	1.3
111.38097	1.1
117.07012	3.7
119.08569	34.8
121.10133	56.4
122.10443	1.3
123.08056	3.0
123.11689	13.6
131.08545	9.5
133.10121	32.2
134.10475	1.5
135.08047	6.5
135.11674	23.2
137.09561	1.2
137.13188	2.5
143.08556	3.0
145.10091	19.9
147.10568	0.6
147.11665	17.8
149.09628	3.4
149.13242	28.0
151.11125	0.9
153.12675	1.3
157.10110	4.7
158.10870	2.7
159.11664	12.3
161.13249	13.2
163.11163	16.6
163.14792	20.9
171.11642	3.8
172.12416	1.6
173.11870	1.4
173.13208	7.9
175.11157	2.0
175.14815	31.8
177.12730	3.9
177.16368	49.1
178.16660	1.3
185.13252	2.3
187.14795	22.0
189.12746	1.4
189.16351	18.3
191.14285	1.2
191.17924	9.1
193.15897	1.1
199.14804	3.2
201.16362	6.5
203.14258	2.4
203.17928	65.0
204.18283	2.4
205.15855	93.3
205.19447	3.7
206.16223	3.8
206.28125	1.1
207.17462	1.8
213.16364	4.3
215.17976	7.8
217.19453	2.4
219.17438	5.3
225.16353	1.4
227.17967	2.9
229.19591	3.3
231.17445	2.7
231.20953	1.5
239.17894	2.4
241.19469	2.7
243.17380	1.6
243.21013	2.7
245.18875	1.8
253.19421	1.4
255.21071	2.5
257.22647	1.7
267.21045	1.8
269.22729	1.3
271.20590	1.2
283.24216	1.4
285.25711	7.6
295.24207	16.6
313.25159	18.7
314.25476	1.3
321.25815	1.3
334.54764	1.2
339.26700	3.6
381.35104	2.7
391.33517	7.5
399.89209	1.1
409.34598	74.3
410.34949	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.7
53.03927	1.5
55.05504	8.9
57.07063	3.0
65.03915	0.8
67.05496	24.9
69.07059	17.0
69.63208	2.0
69.63642	3.0
71.04962	0.9
79.05479	24.5
81.07047	32.5
83.04968	1.9
83.08604	9.5
85.06525	1.6
91.05467	14.0
91.86382	0.6
93.07033	30.3
94.07375	1.0
95.04942	4.3
95.08593	76.5
96.08907	1.0
97.06535	1.1
97.10169	3.1
97.31067	0.7
98.21404	1.4
99.08087	0.6
104.93604	0.6
105.07018	25.7
107.04958	0.9
107.08579	100.0
108.08873	2.0
109.06501	2.4
109.10141	40.7
111.08080	2.3
111.11698	2.0
117.06992	3.5
119.08566	33.3
120.08928	0.7
121.06485	1.5
121.10128	49.5
121.23318	0.6
122.10444	1.1
123.08031	1.8
123.11688	11.7
123.12554	0.9
129.07005	1.1
130.07779	0.6
131.08566	8.3
132.08856	0.7
133.10112	32.0
135.08051	4.3
135.11674	22.7
137.09579	1.9
137.13272	3.9
139.11148	0.7
142.07739	1.1
143.08522	3.3
144.09351	0.9
145.10109	16.5
146.10548	0.7
147.11673	18.2
149.09558	3.3
149.13234	22.3
151.07545	0.7
151.11189	1.1
151.14868	0.9
155.08546	1.6
155.89249	0.7
156.09303	0.8
157.10110	4.6
158.10870	1.2
159.08051	0.8
159.11674	13.8
161.09604	1.8
161.13240	13.4
161.14569	0.9
162.10367	0.7
163.11163	10.2
163.14803	15.1
165.09061	0.7
165.12717	1.4
165.16328	1.1
167.05551	0.6
169.10133	1.3
170.10838	0.8
171.11653	4.3
172.12395	1.2
172.86867	0.6
173.13245	9.0
175.11186	2.9
175.14804	31.4
177.12788	2.6
177.16359	47.0
178.16650	1.1
183.11676	2.1
184.12320	0.6
185.13232	4.5
187.14799	20.3
189.12700	1.4
189.16365	16.4
191.14275	0.8
191.17906	10.4
191.19574	1.0
197.13239	1.8
199.14787	4.6
201.16371	10.5
203.14296	1.9
203.17935	36.8
204.18285	1.1
205.15851	76.5
205.19609	2.4
206.16205	2.2
207.17339	1.4
209.13145	0.8
211.14830	1.4
213.16371	5.4
215.17892	9.8
215.83298	0.6
217.15970	1.7
217.19470	4.1
219.17407	4.7
221.15273	1.1
225.16258	1.5
227.17899	3.1
229.19450	3.7
231.17418	3.1
231.21045	1.3
239.17909	2.2
241.19475	3.7
243.17383	1.0
243.21040	4.0
245.19023	1.7
253.19577	1.0
255.21109	5.2
267.21072	1.8
271.20480	1.5
271.24268	0.8
281.22626	0.7
283.24155	0.8
285.25714	12.0
295.24146	17.4
313.25238	24.8
314.25714	1.6
321.25842	1.1
339.26840	4.5
381.35202	2.1
391.33517	9.1
409.34619	62.2
410.35141	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.9
57.07057	4.3
59.04978	1.1
65.03924	1.3
67.05161	1.6
67.05492	15.9
69.03407	1.3
69.07056	16.0
69.93549	2.0
69.93958	4.1
71.04980	1.5
71.08599	1.0
79.05488	12.2
81.07045	30.5
83.04949	2.1
83.08601	8.6
85.06512	1.1
91.05470	14.6
93.07027	30.5
95.04938	4.3
95.08592	56.1
97.06510	2.1
97.10129	3.7
99.08127	1.2
100.39472	1.1
103.05474	1.6
105.07020	29.8
107.04958	1.5
107.08577	52.3
108.08887	1.2
109.06488	2.3
109.10139	31.8
111.08055	2.9
117.07010	4.2
119.08562	36.1
121.06495	1.6
121.10126	36.2
123.08054	1.8
123.11693	14.7
125.09636	1.5
128.06169	1.1
129.06981	3.3
131.08566	10.7
133.10107	23.4
134.10484	1.3
135.08011	1.5
135.10678	1.8
135.11673	26.6
137.09633	3.1
137.13228	8.7
139.11148	2.1
141.07031	1.1
142.07785	2.3
143.08543	8.6
145.10095	21.1
147.08037	1.4
147.11664	17.9
149.09630	1.7
149.13228	35.7
150.13512	1.7
151.11208	2.1
151.14786	1.7
153.12740	4.2
155.08522	1.8
156.09297	1.1
157.10103	7.2
158.10861	1.2
159.11667	17.7
160.12106	1.0
161.09587	1.5
161.13231	11.7
163.11195	2.6
163.14792	26.2
165.09036	1.3
165.12769	2.6
165.16412	1.9
169.10109	3.1
171.11650	7.1
172.12411	1.4
173.13248	11.6
175.11200	2.2
175.14803	27.0
175.16260	2.1
177.16356	20.1
177.17793	1.6
183.11569	1.9
185.13211	6.5
187.14790	17.2
188.15146	1.3
189.12645	1.6
189.16374	16.1
191.14241	1.9
191.17900	9.8
193.15848	3.9
197.13261	1.7
199.14830	6.2
201.16365	15.0
202.16838	1.5
203.14229	1.5
203.17937	28.5
205.15854	16.9
205.17703	0.7
205.19589	1.5
207.17374	1.7
211.14824	1.8
213.16345	14.6
214.16946	2.4
215.17944	27.0
215.19876	1.8
217.15891	2.0
217.19516	4.5
217.65689	1.0
219.17406	3.7
221.15315	4.4
221.17282	1.3
225.16399	1.7
227.17892	7.0
229.19447	6.1
229.75842	1.2
231.17432	2.9
233.18921	1.8
234.16151	1.2
239.17952	3.5
241.19461	11.7
243.21007	10.5
245.18948	1.6
253.19518	3.6
255.21048	16.5
257.22586	3.6
259.20459	1.4
265.19278	1.1
265.52359	1.2
267.20993	7.6
269.22644	4.9
279.21234	1.5
281.22620	1.8
285.22058	1.7
295.24179	2.6
309.25760	1.9
313.25128	1.3
327.37943	1.1
339.26797	2.1
351.30209	1.2
381.35196	1.3
391.33487	14.2
408.11838	1.5
409.12964	16.9
409.26706	2.9
409.34595	100.0
410.13538	9.5
410.35056	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05504	9.9
57.07050	3.0
65.68217	1.1
67.05502	18.1
69.06782	1.1
69.07059	14.4
70.90752	3.3
71.08618	1.4
77.04581	1.3
79.05482	13.4
81.07048	33.3
83.08605	8.1
91.05458	15.7
91.70885	1.2
93.07037	33.5
95.04961	7.9
95.08596	60.1
97.06489	2.6
97.10168	3.5
105.07024	35.5
107.08580	58.2
109.06522	2.0
109.10142	36.9
111.08086	2.7
111.11755	1.8
117.07009	4.6
119.08561	39.3
120.08805	1.2
121.06489	2.9
121.10132	44.7
122.10471	2.4
123.08084	2.8
123.11690	16.9
128.06195	1.2
129.06944	4.5
131.08525	10.8
133.10117	28.3
134.10446	2.1
135.08067	2.3
135.11671	30.1
137.09615	3.7
137.13268	6.7
139.11150	1.9
143.08546	9.0
144.09302	1.6
145.10097	22.5
147.07999	2.5
147.11673	22.8
149.13242	31.8
151.07536	1.7
151.14821	2.2
153.12708	3.3
155.08600	1.3
157.10120	7.7
158.10796	1.5
159.11674	20.1
161.13229	14.9
163.11127	6.2
163.14792	19.5
165.09114	2.0
165.12790	2.0
165.16344	2.2
169.10123	3.1
171.11702	7.0
173.13248	13.8
175.11183	3.2
175.13298	1.5
175.14801	30.2
176.15189	1.6
177.12721	1.3
177.16348	24.7
183.11662	5.0
185.13179	6.2
187.14798	16.0
189.12694	1.4
189.16359	18.8
191.17931	9.9
193.15854	1.8
195.11583	1.6
197.13206	3.5
199.14801	8.5
201.16341	15.9
203.14270	2.5
203.17928	22.2
205.15842	19.0
205.19719	1.7
207.17432	2.1
211.14659	1.9
213.16321	12.1
214.17085	2.0
215.17920	22.3
216.18243	1.6
217.15871	2.3
217.19472	4.4
219.17468	4.8
221.13242	2.2
221.15298	10.4
225.16309	2.5
227.17941	5.9
229.19504	4.8
231.17340	2.7
231.21083	2.3
233.18848	1.7
234.16025	2.0
239.18028	3.0
241.19533	6.0
243.21115	10.9
245.18788	2.2
253.19476	3.2
255.21037	12.4
257.22562	3.0
259.20496	2.1
267.21036	4.3
269.22586	4.0
271.20462	2.2
281.22513	2.0
283.24335	1.6
285.22165	1.6
285.25766	2.2
295.24228	4.9
309.25787	2.6
313.25244	9.5
339.26749	2.8
351.30399	2.3
391.33545	14.0
409.27472	4.6
409.34586	100.0
410.35040	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	411.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37339	0.6
53.03939	5.7
55.05495	0.8
56.82929	0.6
56.96569	0.9
57.03426	2.9
59.22707	0.7
61.02918	1.2
63.60285	0.7
67.05480	0.9
69.03425	17.2
69.07087	0.7
70.06589	1.9
70.07148	3.6
71.04989	4.5
79.05510	3.6
80.47031	0.7
81.03412	30.7
81.07037	2.0
85.02897	48.9
91.05466	2.4
93.07052	1.7
95.04952	1.4
95.08582	1.3
97.02885	3.9
97.06526	0.7
98.21223	1.9
99.04440	25.7
102.60277	0.6
103.03934	50.5
103.05424	1.6
105.07019	37.7
107.08575	2.1
109.02872	24.7
109.10175	1.0
111.61913	0.7
119.08575	2.0
121.06502	1.0
121.10132	1.2
123.08037	0.8
127.03904	100.0
131.08585	1.4
133.06476	2.6
135.08043	1.1
135.11678	0.7
139.03880	1.3
145.04948	12.4
145.10112	1.7
147.11659	1.0
150.90370	0.7
154.08664	0.8
159.11743	0.9
161.09627	1.7
161.13214	1.3
163.03894	1.4
163.06001	3.0
163.11253	0.8
171.11914	0.8
173.13275	1.1
175.11203	1.1
183.11862	0.7
187.06015	7.4
213.09286	1.0
231.17401	4.6
249.13086	1.1
249.18544	1.3
253.07014	3.3
271.08115	3.1
411.19864	15.1
411.24463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.26096	0.6
55.51201	0.6
56.32920	0.7
56.96546	2.4
57.03428	1.3
61.02900	2.7
62.06068	1.5
69.03420	6.2
69.77606	1.5
69.78019	3.3
71.04999	0.8
72.04507	10.3
72.43948	0.6
72.93732	0.6
81.03409	3.9
84.96007	0.6
85.02895	15.8
87.04466	1.0
87.51357	0.6
91.05479	1.5
95.04943	1.1
97.02878	6.9
99.04476	1.2
100.03993	1.1
100.34035	0.7
103.03853	0.7
107.04945	1.4
109.02859	1.6
111.04450	1.0
117.03302	1.0
117.05762	1.2
117.07034	0.8
118.05010	20.2
118.06502	13.2
119.04913	0.7
123.04457	1.7
124.94401	0.7
127.03896	3.7
130.06548	1.2
130.49544	0.7
132.08078	69.5
133.08408	2.2
135.04404	2.3
142.06509	1.9
143.07214	0.9
144.08084	11.9
145.02827	1.2
145.04909	2.0
146.05995	55.8
147.04396	5.5
147.06342	2.0
150.05450	1.7
156.08043	1.5
161.01160	0.9
162.71735	0.8
163.03928	7.0
164.04317	0.9
170.05991	2.9
174.08890	0.7
178.04991	1.0
188.07043	86.0
189.07382	2.7
202.04999	1.1
203.11768	5.6
218.97229	0.9
219.06395	1.4
220.06027	2.2
224.11247	1.4
230.08069	0.9
237.00647	2.7
240.30702	0.7
249.12321	100.0
250.12628	3.3
252.97870	2.1
254.97997	1.1
255.01755	1.2
259.05997	0.9
273.02771	1.9
276.12299	2.9
371.04111	1.0
397.37085	0.8
411.12088	0.7
411.17596	16.9
412.11557	0.9
412.17453	1.0
427.71524	0.7
439.07535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.3
55.01845	1.8
56.96535	2.4
57.03413	3.1
63.72337	1.5
67.05464	1.4
69.03419	9.1
69.07030	2.0
70.06558	3.2
71.04923	4.3
73.02889	1.4
79.05453	3.4
81.03404	15.7
81.07003	4.0
83.04897	1.4
85.02895	24.2
86.09663	1.9
91.05437	3.6
93.07021	3.0
94.06503	2.8
95.04890	1.8
95.08535	2.9
97.02835	4.7
97.96789	1.7
98.21515	2.8
98.97525	3.4
99.04437	11.8
103.03923	21.8
105.07026	18.8
107.04883	1.8
107.08524	2.6
108.08028	4.0
109.02861	15.4
109.10105	1.6
110.05976	1.9
115.05386	1.7
116.98537	2.4
118.38826	1.4
119.08475	4.4
120.08043	2.8
121.06455	1.5
121.10088	1.5
127.03906	45.9
128.98544	2.2
131.08469	2.7
133.10075	3.2
135.11557	1.4
136.07498	3.3
138.09081	2.7
145.04846	4.8
145.10048	2.3
146.99498	2.3
147.11613	2.0
154.08490	5.0
157.09975	2.0
161.09564	1.6
163.05888	1.6
163.20892	1.6
166.08498	2.0
167.02689	1.5
187.05878	3.3
191.41364	1.5
204.06403	2.7
219.01488	2.3
229.43076	1.8
237.02737	8.4
243.10927	1.7
249.10396	2.1
285.13339	1.9
309.13208	1.9
345.13251	2.2
386.14249	1.8
411.17490	100.0
411.32166	3.2
412.17545	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	411.1986
Annotation	diflorasone
Peak:m/z	Relative Intensity
69.03413	0.4
69.60756	1.4
73.02914	0.3
81.89781	0.2
85.02893	0.5
95.08626	0.2
97.02847	0.3
98.21257	0.5
105.07045	0.3
107.08569	0.2
109.10153	0.2
116.98656	0.2
130.35590	0.2
133.10112	0.3
249.14539	0.5
411.19824	100.0
412.20190	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	411.1985
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.96559	0.3
61.43601	0.2
62.26060	0.3
62.33042	0.3
69.03419	0.5
69.07066	0.6
70.06555	0.3
70.80957	0.6
70.81362	0.5
79.05486	0.3
81.07035	0.6
85.02892	0.6
85.23945	0.3
91.05447	0.5
93.07059	0.4
95.60366	0.2
97.02898	0.3
98.97595	0.4
105.06992	0.6
107.08593	1.1
109.06479	0.3
109.10133	0.3
119.08578	0.3
121.10140	1.0
133.10117	0.5
135.08038	0.5
147.04277	0.3
149.13249	0.6
163.03859	0.5
192.04094	0.3
201.03886	0.4
203.05251	4.9
203.07063	0.4
231.13638	1.2
233.15309	0.3
249.14888	0.5
305.09113	0.4
309.15317	0.3
334.80728	0.3
347.13324	0.3
411.19873	100.0
412.20160	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
61.02912	0.9
67.59631	0.3
69.03413	0.5
69.07043	0.3
70.06559	0.4
70.08660	1.0
73.07874	0.2
79.05508	0.3
85.02895	1.0
91.03959	0.3
91.05469	0.3
97.02855	0.5
98.21063	0.8
98.97566	0.4
105.06997	0.3
107.08592	0.7
109.10185	0.3
119.08595	0.3
119.56186	0.3
121.10179	0.3
122.78555	0.3
127.03891	0.4
133.10124	0.4
147.04449	0.6
149.10739	1.0
162.06898	0.3
162.10237	0.4
163.03876	0.7
174.05760	0.3
174.50760	0.3
184.07341	0.3
188.08200	1.3
231.10451	0.4
249.07346	0.4
249.11407	0.5
252.57507	0.3
303.05078	0.3
303.08392	0.3
322.13861	2.5
337.61301	0.3
385.21481	0.3
411.19858	100.0
412.20233	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77252	0.3
69.48425	2.6
70.06567	0.4
72.08130	0.4
79.05493	0.4
83.91109	0.3
85.02891	0.8
86.09675	0.6
97.02866	0.4
105.07034	0.5
107.08581	0.7
117.83276	0.3
119.78793	0.3
125.00005	0.4
127.03882	0.3
127.11211	0.3
128.31813	0.3
133.10133	0.4
134.10477	0.4
149.10686	0.4
164.15646	0.3
174.62521	0.3
184.07332	1.9
185.03673	0.3
187.57353	0.3
203.05301	0.4
249.07332	2.1
319.04251	0.5
342.96359	0.3
411.19855	100.0
412.20245	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.68009	4.6
55.05506	7.0
57.07062	7.3
63.63453	5.6
67.05489	15.2
69.07056	13.0
71.63737	6.8
71.64165	6.2
79.05468	6.6
81.07042	42.6
83.08610	7.2
91.05463	12.2
93.07036	30.3
95.08604	73.0
105.07011	23.2
107.08574	52.0
109.10143	43.2
119.08586	42.8
121.10121	40.6
123.11688	14.0
131.08546	6.0
133.10135	31.8
135.11650	36.5
137.13293	8.2
145.10121	8.2
147.11673	20.5
149.13245	25.9
159.11667	19.4
161.13251	26.1
163.14824	32.6
173.13287	15.7
175.14809	32.3
177.16370	18.0
179.14182	9.6
187.14824	12.3
189.16347	36.2
191.17963	23.6
193.15854	7.0
201.16357	18.1
203.17944	38.9
207.17421	18.2
215.17989	24.4
217.19502	11.9
229.19487	8.6
231.21051	7.5
243.20999	6.8
257.22638	9.9
330.90784	7.0
351.30505	14.9
393.35233	47.4
411.36276	100.0
412.50775	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.36135	0.8
53.03923	1.5
55.05501	8.6
57.03432	0.8
57.07053	3.1
59.04980	0.9
60.00097	0.7
64.28284	0.7
65.03914	0.9
67.05159	1.1
67.05493	15.5
69.06712	1.3
69.07061	20.6
70.68183	2.0
71.08621	0.8
79.05491	12.8
81.07050	43.6
83.04958	0.8
83.08617	9.5
83.76765	0.7
85.06509	1.0
89.37574	0.6
91.05460	10.8
93.07036	40.1
94.07383	1.1
95.04939	2.6
95.08597	84.8
96.08939	1.6
97.10157	5.5
99.08078	1.2
105.07018	23.4
107.08582	64.4
108.08909	1.1
109.06510	1.1
109.10143	35.9
111.08064	3.1
111.11708	1.8
113.09653	0.8
117.07012	1.6
119.08569	31.5
120.08927	0.7
121.10130	49.9
123.08060	2.4
123.11704	16.8
125.09637	1.3
131.08559	4.0
133.10110	24.5
135.08095	0.9
135.11676	27.5
137.09602	1.5
137.13261	4.8
143.08490	1.2
145.10109	7.5
147.11655	19.3
149.13237	41.1
151.11162	1.0
151.14819	1.8
157.10101	0.8
159.11646	7.8
160.12517	1.0
161.13252	16.6
163.14801	67.1
164.15158	1.2
165.12784	2.5
173.13260	4.8
175.14804	21.8
175.16241	1.6
177.12744	2.3
177.16373	31.3
179.14275	6.0
181.15822	1.2
187.14801	16.8
189.16362	30.7
190.16689	1.0
191.17928	21.0
201.16396	6.5
203.17929	42.0
204.18231	0.9
205.16045	1.1
205.19463	6.6
207.17455	3.3
213.16440	1.4
215.17900	5.7
217.19440	7.2
219.17384	1.4
219.21077	1.2
221.19058	2.1
229.19551	3.8
231.21059	22.3
233.19023	6.1
233.22644	2.2
235.20601	0.9
241.19473	1.1
243.13678	0.7
243.21112	1.6
245.22702	1.1
247.20580	1.6
247.24146	2.1
255.21034	1.0
257.22601	1.4
261.22159	0.8
269.22522	1.1
287.23758	1.0
297.25751	1.5
315.26935	1.1
393.35107	11.9
410.91669	0.7
411.19839	2.4
411.36185	100.0
412.36572	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	412.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01848	0.9
55.05491	1.9
56.96552	2.9
57.03428	10.3
61.02917	2.0
67.05470	1.3
69.03421	5.7
69.07060	12.2
70.06582	2.6
70.83453	1.9
71.01331	1.5
71.04985	57.2
72.08127	1.1
73.02893	2.9
75.04466	5.3
79.05461	1.8
81.03409	2.8
81.07026	1.9
83.04974	8.3
83.08591	2.1
83.16683	0.9
84.04440	1.2
85.02893	100.0
85.06526	1.5
86.03210	1.4
86.06020	1.7
86.09703	1.1
87.04453	2.2
91.03928	1.6
91.05463	1.8
93.07045	1.0
95.08575	1.7
97.02878	4.6
98.20744	1.1
98.97541	2.6
99.04417	2.7
103.03917	2.0
104.66927	1.0
105.07033	1.7
107.04956	1.7
107.08552	1.8
109.02882	2.1
109.06480	1.3
109.10093	1.2
110.06003	1.2
111.04449	6.6
111.08059	1.8
116.98631	2.4
119.01911	1.5
119.04886	1.2
121.10081	1.2
123.04408	5.4
127.03888	7.6
128.98592	1.8
129.04494	2.4
129.05464	48.5
130.58455	1.1
131.08571	1.1
134.05927	1.2
134.99652	1.4
135.08073	1.4
139.03880	5.4
145.04942	5.8
146.08080	2.1
146.99611	1.8
147.04407	2.8
147.06509	25.2
151.03867	2.4
153.05479	1.8
153.09041	1.7
157.04890	1.2
161.05986	1.5
163.03905	6.0
163.06010	3.4
164.07054	1.1
164.09184	7.7
165.05449	1.1
165.07635	1.4
178.04974	1.2
179.03384	1.2
179.10565	1.4
181.03387	6.5
199.04581	2.6
201.03958	2.1
215.12721	1.2
221.02879	2.6
223.04504	1.2
237.02716	3.0
239.03946	2.0
245.03026	1.2
251.12643	1.0
255.08598	2.8
260.06351	1.8
267.05157	1.6
273.09653	3.7
283.04657	1.4
287.08151	1.3
301.05524	1.7
305.05182	1.1
309.11752	4.7
311.03922	3.7
311.07727	1.5
329.04962	3.3
347.05823	1.5
354.16177	2.4
371.05975	3.7
389.06955	6.6
412.10846	2.7
412.16089	8.0
412.20627	32.5
413.06134	1.3
413.11505	11.8
431.12088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01866	6.1
55.05503	23.6
55.41798	1.1
57.03426	20.5
59.04984	5.0
60.04521	1.4
60.71592	1.2
61.02917	9.1
69.03419	57.7
69.85848	2.4
69.86259	5.4
71.01357	1.6
71.04981	5.2
73.02905	14.6
73.88792	1.1
75.04474	2.4
79.05484	2.0
81.03394	4.7
81.07045	2.8
83.08608	44.0
85.02893	100.0
86.09690	2.3
87.04455	38.2
91.03944	6.0
91.05450	2.2
93.07022	2.3
95.05012	1.5
95.08609	2.8
97.02876	61.2
98.21053	4.0
99.04420	3.2
101.09666	1.4
103.03929	3.8
104.10741	3.2
105.06996	2.5
107.08538	2.0
109.02883	5.2
111.08051	2.9
115.03907	64.9
117.05539	1.6
121.10082	1.5
123.08108	1.6
123.29177	1.2
124.99946	1.3
125.09586	1.5
127.03893	19.5
133.04944	81.7
135.08035	2.0
137.09558	1.9
137.94226	1.3
139.07527	1.8
141.09079	1.6
145.04935	43.5
150.07573	12.0
151.11263	1.3
163.05989	23.7
167.10652	4.0
172.88028	1.6
179.10707	1.7
184.07320	3.3
191.10638	1.9
197.11751	2.5
209.11711	2.8
215.12770	3.1
223.06100	1.5
227.12749	3.7
233.13815	1.4
241.07062	3.2
245.13831	3.6
250.01677	5.5
259.08185	4.7
263.14856	2.0
295.10165	3.9
314.21954	1.3
375.35709	1.4
412.20068	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	412.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
55.01848	0.9
55.05491	1.9
56.96552	2.9
57.03428	10.3
61.02917	2.0
67.05470	1.3
69.03421	5.7
69.07060	12.2
70.06582	2.6
70.83453	1.9
71.01331	1.5
71.04985	57.2
72.08127	1.1
73.02893	2.9
75.04466	5.3
79.05461	1.8
81.03409	2.8
81.07026	1.9
83.04974	8.3
83.08591	2.1
83.16683	0.9
84.04440	1.2
85.02893	100.0
85.06526	1.5
86.03210	1.4
86.06020	1.7
86.09703	1.1
87.04453	2.2
91.03928	1.6
91.05463	1.8
93.07045	1.0
95.08575	1.7
97.02878	4.6
98.20744	1.1
98.97541	2.6
99.04417	2.7
103.03917	2.0
104.66927	1.0
105.07033	1.7
107.04956	1.7
107.08552	1.8
109.02882	2.1
109.06480	1.3
109.10093	1.2
110.06003	1.2
111.04449	6.6
111.08059	1.8
116.98631	2.4
119.01911	1.5
119.04886	1.2
121.10081	1.2
123.04408	5.4
127.03888	7.6
128.98592	1.8
129.04494	2.4
129.05464	48.5
130.58455	1.1
131.08571	1.1
134.05927	1.2
134.99652	1.4
135.08073	1.4
139.03880	5.4
145.04942	5.8
146.08080	2.1
146.99611	1.8
147.04407	2.8
147.06509	25.2
151.03867	2.4
153.05479	1.8
153.09041	1.7
157.04890	1.2
161.05986	1.5
163.03905	6.0
163.06010	3.4
164.07054	1.1
164.09184	7.7
165.05449	1.1
165.07635	1.4
178.04974	1.2
179.03384	1.2
179.10565	1.4
181.03387	6.5
199.04581	2.6
201.03958	2.1
215.12721	1.2
221.02879	2.6
223.04504	1.2
237.02716	3.0
239.03946	2.0
245.03026	1.2
251.12643	1.0
255.08598	2.8
260.06351	1.8
267.05157	1.6
273.09653	3.7
283.04657	1.4
287.08151	1.3
301.05524	1.7
305.05182	1.1
309.11752	4.7
311.03922	3.7
311.07727	1.5
329.04962	3.3
347.05823	1.5
354.16177	2.4
371.05975	3.7
389.06955	6.6
412.10846	2.7
412.16089	8.0
412.20627	32.5
413.06134	1.3
413.11505	11.8
431.12088	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.77515	0.7
53.79023	0.7
55.01868	10.1
55.05510	6.6
57.03430	17.2
59.04981	2.0
61.02918	10.4
67.05499	1.5
69.03422	25.5
69.07070	1.0
69.37048	1.1
69.37447	7.5
70.03735	0.7
70.06554	1.8
71.01345	3.5
71.04990	7.7
72.04510	1.6
73.02911	21.1
79.05466	1.4
81.03404	5.0
81.07049	2.6
83.08608	7.7
83.54207	0.7
85.02896	100.0
85.41962	0.8
86.03239	1.0
86.09695	6.5
87.04464	5.0
91.03927	5.3
91.05481	1.1
93.06998	1.3
95.04942	1.1
95.08603	2.3
97.02882	33.6
97.06494	0.9
98.21250	3.4
99.04478	4.4
101.09640	2.3
103.03925	2.8
107.04916	1.3
107.08546	1.4
109.02880	6.4
109.10123	1.5
111.08056	2.9
113.09610	1.4
115.03910	15.2
116.98643	0.8
121.06506	1.6
123.04454	0.9
123.08032	1.4
124.99953	4.0
125.09610	1.0
127.03902	28.8
129.09097	2.4
132.06546	2.5
133.04955	20.7
135.04431	1.3
135.07941	1.4
139.07573	4.1
141.09067	3.2
145.04944	48.1
150.07581	4.2
151.07536	1.6
155.10638	1.5
163.03931	1.0
163.05995	20.4
167.10660	1.2
169.08623	0.9
179.10680	1.6
184.07321	20.8
187.07469	0.9
197.11742	1.7
200.04625	1.6
209.11690	1.9
215.06993	1.3
215.12708	1.0
217.07001	1.0
223.05943	0.9
227.12810	2.0
228.64763	0.9
241.07095	2.6
245.13771	4.1
253.57449	0.9
259.09949	1.8
263.14911	5.0
274.02011	0.8
278.59058	1.0
282.59195	0.9
356.64713	0.9
412.20078	7.5
413.21844	4.0
433.13770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1411
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.29035	0.3
54.39828	0.2
56.05019	0.9
56.96558	0.3
57.03415	0.4
69.03407	0.5
69.98305	1.5
70.06583	0.4
74.06074	2.9
79.50831	0.2
83.37626	0.3
85.02890	0.8
86.41615	0.2
87.05558	0.5
97.02853	0.4
102.05510	1.0
119.03510	2.4
120.05716	0.5
120.06560	8.2
136.06165	100.0
137.04573	1.7
137.06564	0.5
139.03796	0.3
147.04356	0.8
162.04086	64.3
163.04332	0.3
177.05412	0.4
209.71761	0.3
214.88522	0.3
268.10431	1.6
281.09885	60.6
282.10144	0.9
294.08191	0.5
380.16556	0.3
413.14157	2.9
420.20880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.214
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
62.51168	0.2
70.41367	1.0
70.41753	0.6
86.09717	0.3
98.97579	0.3
99.08083	0.7
112.70638	0.3
184.07329	0.3
203.05299	0.8
266.52759	0.3
278.50598	0.3
395.19678	0.4
413.21405	100.0
414.21677	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	413.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.3
53.03927	5.3
55.05505	13.6
56.96558	3.4
57.03435	22.5
64.82953	2.3
67.05500	29.1
69.03418	28.8
69.07061	12.1
71.04978	8.2
71.62342	3.6
73.02902	5.3
74.56189	2.2
79.05485	24.0
81.02974	3.0
81.03413	44.7
81.07045	52.7
83.04974	18.3
83.08604	9.2
85.02891	15.4
85.06490	2.5
85.07665	3.8
86.29537	2.2
91.05455	18.9
93.07030	34.3
95.04962	12.9
95.08591	20.3
97.02882	20.7
97.06511	8.7
97.10154	3.4
98.90446	2.0
99.04446	8.5
102.27431	2.1
103.00676	2.2
103.03922	4.0
105.07021	13.4
107.04909	6.0
107.08596	17.7
109.02866	7.5
109.06502	4.8
109.10156	6.7
111.04439	7.2
111.08086	3.2
117.07006	9.2
119.08591	11.6
120.99902	2.6
121.06515	5.7
121.10134	9.4
123.04453	2.4
123.08057	4.5
123.11707	4.9
127.03893	15.0
129.05486	4.5
129.06987	4.6
131.08533	11.8
133.06476	2.7
133.10130	13.0
135.08017	4.0
135.11664	8.6
137.05981	2.6
143.08569	3.7
145.06459	2.8
145.10114	5.4
147.11662	7.2
149.09528	3.2
149.13223	19.4
151.07545	3.7
155.08603	2.3
157.10117	2.8
159.08005	2.8
159.11668	13.4
161.05948	3.0
161.13176	3.3
163.11148	2.5
165.05544	3.1
165.12741	3.3
173.04489	3.7
173.05925	3.0
177.12729	10.9
183.11693	3.2
195.13812	15.3
201.05457	2.7
213.14850	6.9
219.13921	2.4
231.14136	2.5
269.17410	12.4
275.16214	2.3
275.82181	2.1
291.19446	3.7
337.02441	2.4
339.17941	6.4
366.16275	2.7
395.20956	6.4
413.21707	100.0
413.30496	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	413.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	32.2
56.96552	6.2
57.03447	7.3
57.07066	12.6
61.02929	9.7
61.13485	5.9
67.05496	19.5
69.03413	47.0
69.07043	11.3
70.06587	16.3
71.04987	14.0
71.61414	7.5
71.61865	7.9
72.90768	6.0
76.48924	6.3
79.05484	29.6
81.03395	17.5
81.07051	73.0
82.06586	8.1
83.04975	24.3
83.08605	20.3
85.02893	53.7
85.06533	12.8
86.93125	5.5
89.39418	5.9
91.05458	34.3
93.07040	41.9
95.04978	18.8
95.08589	15.4
97.02877	25.9
97.06543	11.4
98.97556	11.0
99.04428	17.6
100.07603	24.2
100.11251	60.7
101.11580	15.6
105.07018	36.5
107.08587	100.0
109.02900	11.8
109.06454	16.1
109.10159	9.2
111.04446	16.0
111.08098	30.2
113.06009	19.1
116.06280	7.1
116.98575	6.8
117.07013	9.2
119.08595	23.9
121.02915	7.6
121.06516	23.0
121.10147	45.0
123.08070	14.6
125.09599	17.7
127.03941	21.4
127.07566	19.4
128.07059	26.7
131.08568	36.3
133.10126	21.0
135.08034	15.9
135.11749	13.4
137.05939	13.2
137.09618	19.5
139.07498	11.8
141.11476	8.6
141.61630	11.6
145.04977	9.2
145.10107	41.6
147.08064	16.1
147.11725	7.6
149.09602	28.7
151.11159	8.7
153.09106	53.3
157.10100	8.7
159.08046	16.0
159.11694	12.5
161.09570	8.6
163.04022	7.1
163.11197	19.4
173.09689	15.1
173.13251	24.6
175.07565	7.4
177.09160	9.1
182.15396	29.2
183.15723	13.1
187.07593	9.2
187.11189	10.5
187.14818	13.2
189.12712	10.2
191.10809	7.3
191.14308	26.5
193.08627	8.2
199.17995	10.2
203.03352	16.5
204.06618	9.5
205.12204	9.8
209.16595	12.8
210.09248	5.9
210.14851	50.2
210.88214	6.2
211.15230	20.4
212.90100	7.0
215.10611	8.2
215.14304	17.7
219.10132	15.3
228.15988	6.8
233.15288	93.4
237.02658	7.9
250.71338	7.1
251.12851	15.3
251.16364	55.3
299.30777	6.4
311.15112	8.6
326.27914	13.0
332.24799	24.6
338.22037	7.3
340.76157	26.4
353.06268	7.2
395.15045	7.1
395.77780	16.2
404.29001	10.2
413.16843	46.7
413.21814	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2316
Annotation	Pallidone J
Peak:m/z	Relative Intensity
51.02377	0.9
53.03927	1.6
55.01860	3.9
55.05295	0.7
55.05505	7.9
56.96549	1.4
57.03424	1.4
57.07076	0.9
65.03941	2.0
67.05492	17.0
68.99777	3.0
69.03426	5.9
69.07063	6.9
69.30346	8.7
71.04964	2.4
76.95566	0.8
77.98155	0.7
79.05477	13.8
81.03407	3.2
81.07043	24.5
81.34988	0.8
83.01333	1.7
83.04963	1.8
83.08601	2.8
85.02884	1.9
85.06525	1.7
87.90547	0.9
91.05461	16.7
93.03410	0.9
93.07034	10.8
95.04961	5.1
95.08587	10.3
97.02859	1.0
97.06522	2.3
97.10130	0.7
98.21427	1.4
99.76724	0.8
103.05464	1.0
105.03394	0.8
105.07015	12.8
107.04953	2.2
107.08587	7.0
109.02876	1.3
109.06489	1.8
109.10157	3.5
111.08050	0.9
115.05450	3.9
116.98579	0.8
117.07013	7.0
119.04926	2.5
119.08562	12.1
119.80156	0.6
121.06496	2.4
121.10132	6.7
123.04426	2.5
123.08056	1.0
123.11705	2.1
123.20898	0.7
125.02301	1.6
125.05945	1.0
127.03883	1.6
127.05497	0.8
127.17868	0.8
128.06219	2.4
129.06989	6.2
131.04939	2.0
131.08543	8.2
133.06490	3.2
133.10089	4.6
135.04402	3.1
135.11693	3.6
137.05984	1.2
139.03880	5.5
141.05469	2.6
141.06960	8.4
143.08533	4.2
145.06447	5.6
145.10101	7.4
146.73131	0.8
147.04391	2.9
147.08069	3.0
147.11661	2.8
149.05991	1.4
149.09583	1.2
149.13275	1.0
151.03876	29.5
151.07423	0.9
152.06186	0.8
153.05458	8.9
153.06825	1.3
154.07742	1.5
155.08543	5.4
157.06483	2.4
157.10123	3.1
159.04402	1.5
159.08002	2.2
159.11658	2.5
161.05980	6.7
161.09634	0.9
163.03893	5.7
163.11237	1.1
165.05453	29.0
167.08577	2.1
168.05695	0.9
169.05156	1.0
169.06351	4.0
169.10081	1.8
171.08038	2.8
171.11697	1.8
173.05931	5.0
173.09608	2.5
173.13261	2.1
174.06656	1.2
175.03949	4.6
175.07500	2.0
175.11189	1.9
176.04672	1.0
177.05449	15.3
179.07005	1.9
179.08464	1.0
181.06451	0.9
181.10072	1.5
183.08022	2.1
183.11694	0.9
185.05984	1.3
185.09613	1.6
185.13211	0.8
187.07573	4.4
187.11337	1.0
189.05441	42.1
190.05858	1.1
191.06985	5.7
191.10608	0.8
193.04973	2.0
193.10114	1.0
195.08049	1.5
197.05988	2.8
197.09575	0.9
199.07500	3.0
200.04659	3.4
200.08266	1.9
201.05435	11.4
201.09065	3.9
202.06209	2.8
203.07019	6.4
203.10748	2.0
205.08521	1.3
207.06528	2.2
211.07584	1.9
213.05414	5.7
213.08986	1.8
214.06165	4.5
215.06999	36.3
215.10605	1.4
216.07507	1.9
217.05040	0.9
217.08627	2.5
219.10184	3.4
221.11740	1.1
223.07561	1.3
225.05475	1.7
225.09093	2.3
227.07011	11.7
228.07722	2.7
229.05000	8.5
229.08545	17.7
229.12100	1.1
230.09219	2.4
231.10123	32.2
232.10561	1.1
233.11710	2.9
239.10646	1.2
241.08586	9.6
242.09082	1.1
243.06453	1.0
243.10199	10.9
245.11703	3.3
255.10229	4.9
256.10767	1.0
257.11661	4.5
259.13315	1.4
269.08749	1.0
269.11685	3.2
271.09732	1.1
271.13129	1.7
274.11542	1.1
283.09589	4.0
283.12946	1.7
283.16846	1.3
285.10562	1.9
285.14755	1.2
293.15442	1.1
297.14828	2.7
299.16504	1.9
311.12775	1.2
311.16333	17.2
312.16891	1.2
321.14838	2.8
325.14264	1.2
325.17859	1.6
327.15915	1.0
339.15866	24.3
349.21487	1.3
353.17242	1.5
357.16913	8.9
367.22626	37.9
368.23019	1.7
377.20880	2.1
385.23718	2.0
395.22098	34.4
396.22388	1.7
413.23148	100.0
414.23404	5.4
417.75031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03927	1.6
55.01860	3.9
55.05295	0.7
55.05505	7.9
56.96549	1.4
57.03424	1.4
57.07076	0.9
65.03941	2.0
67.05492	17.0
68.99777	3.0
69.03426	5.9
69.07063	6.9
69.30346	8.7
71.04964	2.4
76.95566	0.8
77.98155	0.7
79.05477	13.8
81.03407	3.2
81.07043	24.5
81.34988	0.8
83.01333	1.7
83.04963	1.8
83.08601	2.8
85.02884	1.9
85.06525	1.7
87.90547	0.9
91.05461	16.7
93.03410	0.9
93.07034	10.8
95.04961	5.1
95.08587	10.3
97.02859	1.0
97.06522	2.3
97.10130	0.7
98.21427	1.4
99.76724	0.8
103.05464	1.0
105.03394	0.8
105.07015	12.8
107.04953	2.2
107.08587	7.0
109.02876	1.3
109.06489	1.8
109.10157	3.5
111.08050	0.9
115.05450	3.9
116.98579	0.8
117.07013	7.0
119.04926	2.5
119.08562	12.1
119.80156	0.6
121.06496	2.4
121.10132	6.7
123.04426	2.5
123.08056	1.0
123.11705	2.1
123.20898	0.7
125.02301	1.6
125.05945	1.0
127.03883	1.6
127.05497	0.8
127.17868	0.8
128.06219	2.4
129.06989	6.2
131.04939	2.0
131.08543	8.2
133.06490	3.2
133.10089	4.6
135.04402	3.1
135.11693	3.6
137.05984	1.2
139.03880	5.5
141.05469	2.6
141.06960	8.4
143.08533	4.2
145.06447	5.6
145.10101	7.4
146.73131	0.8
147.04391	2.9
147.08069	3.0
147.11661	2.8
149.05991	1.4
149.09583	1.2
149.13275	1.0
151.03876	29.5
151.07423	0.9
152.06186	0.8
153.05458	8.9
153.06825	1.3
154.07742	1.5
155.08543	5.4
157.06483	2.4
157.10123	3.1
159.04402	1.5
159.08002	2.2
159.11658	2.5
161.05980	6.7
161.09634	0.9
163.03893	5.7
163.11237	1.1
165.05453	29.0
167.08577	2.1
168.05695	0.9
169.05156	1.0
169.06351	4.0
169.10081	1.8
171.08038	2.8
171.11697	1.8
173.05931	5.0
173.09608	2.5
173.13261	2.1
174.06656	1.2
175.03949	4.6
175.07500	2.0
175.11189	1.9
176.04672	1.0
177.05449	15.3
179.07005	1.9
179.08464	1.0
181.06451	0.9
181.10072	1.5
183.08022	2.1
183.11694	0.9
185.05984	1.3
185.09613	1.6
185.13211	0.8
187.07573	4.4
187.11337	1.0
189.05441	42.1
190.05858	1.1
191.06985	5.7
191.10608	0.8
193.04973	2.0
193.10114	1.0
195.08049	1.5
197.05988	2.8
197.09575	0.9
199.07500	3.0
200.04659	3.4
200.08266	1.9
201.05435	11.4
201.09065	3.9
202.06209	2.8
203.07019	6.4
203.10748	2.0
205.08521	1.3
207.06528	2.2
211.07584	1.9
213.05414	5.7
213.08986	1.8
214.06165	4.5
215.06999	36.3
215.10605	1.4
216.07507	1.9
217.05040	0.9
217.08627	2.5
219.10184	3.4
221.11740	1.1
223.07561	1.3
225.05475	1.7
225.09093	2.3
227.07011	11.7
228.07722	2.7
229.05000	8.5
229.08545	17.7
229.12100	1.1
230.09219	2.4
231.10123	32.2
232.10561	1.1
233.11710	2.9
239.10646	1.2
241.08586	9.6
242.09082	1.1
243.06453	1.0
243.10199	10.9
245.11703	3.3
255.10229	4.9
256.10767	1.0
257.11661	4.5
259.13315	1.4
269.08749	1.0
269.11685	3.2
271.09732	1.1
271.13129	1.7
274.11542	1.1
283.09589	4.0
283.12946	1.7
283.16846	1.3
285.10562	1.9
285.14755	1.2
293.15442	1.1
297.14828	2.7
299.16504	1.9
311.12775	1.2
311.16333	17.2
312.16891	1.2
321.14838	2.8
325.14264	1.2
325.17859	1.6
327.15915	1.0
339.15866	24.3
349.21487	1.3
353.17242	1.5
357.16913	8.9
367.22626	37.9
368.23019	1.7
377.20880	2.1
385.23718	2.0
395.22098	34.4
396.22388	1.7
413.23148	100.0
414.23404	5.4
417.75031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2318
Annotation	Pallidone J
Peak:m/z	Relative Intensity
52.95860	1.3
53.03933	1.6
55.01852	4.2
55.05506	11.1
56.96542	5.2
57.03424	1.4
61.02906	2.7
62.93760	1.1
63.77927	1.1
65.03939	2.2
66.87062	1.4
67.05492	23.1
68.99770	4.6
69.03420	9.5
69.07062	9.6
71.04977	3.4
71.61504	1.8
72.26101	1.1
73.02908	1.4
79.05483	18.0
81.03404	4.1
81.07047	33.3
83.01286	2.3
83.04960	2.5
83.08593	4.9
85.02888	2.2
85.06522	1.5
91.05466	25.7
92.05803	1.2
93.07029	19.2
95.04955	7.1
95.08595	15.1
97.02850	2.4
97.06505	4.1
97.10116	1.4
98.97533	1.4
103.05438	2.8
105.03364	1.4
105.06373	2.2
105.07025	18.1
107.04932	3.3
107.08582	9.2
109.02847	2.2
109.06522	3.5
109.10155	7.0
115.05431	4.5
117.06998	8.4
119.04916	4.6
119.08569	13.7
121.06469	3.5
121.10117	8.9
123.04394	4.1
123.08072	1.5
123.11703	2.5
125.02308	1.8
125.06004	1.5
125.09631	1.5
127.03924	1.7
128.06200	3.6
129.06973	6.0
131.04854	2.5
131.08559	10.6
133.06476	4.3
133.10139	7.4
135.04411	3.4
135.11714	7.1
137.05963	4.4
137.09520	1.5
139.03871	5.3
141.05403	2.4
141.06982	9.9
142.07756	2.4
143.08530	5.1
145.06450	5.9
145.10088	10.9
147.04387	6.5
147.08026	3.8
147.11667	5.4
149.05949	2.7
149.09564	1.5
149.13289	2.2
151.03880	25.0
151.07553	1.5
153.05435	10.5
153.06822	2.4
154.46030	1.2
155.08505	5.9
157.06474	3.4
157.10075	4.7
159.08043	3.4
159.11671	5.0
161.05936	8.1
161.09567	2.0
161.13245	1.7
163.03876	6.4
163.07552	2.8
163.11182	1.5
165.05457	28.9
165.06816	2.8
165.12834	1.8
167.07013	1.9
167.08449	1.7
169.06462	5.6
169.10095	3.4
171.08076	2.9
171.11630	2.1
173.06006	4.2
173.09592	1.4
173.13298	2.5
175.03825	6.5
175.07541	4.5
175.11182	3.0
177.05453	23.7
179.07034	2.3
181.10106	2.6
182.07228	2.0
183.08049	2.0
183.11702	1.8
185.05972	3.3
185.09625	1.3
187.07591	7.1
189.05446	47.9
189.09100	2.4
190.05914	1.5
191.07004	17.6
191.08577	2.4
193.04967	2.8
195.07951	1.7
197.05992	4.3
197.09555	2.4
199.07539	3.7
199.14688	1.6
200.04643	3.4
201.05440	14.5
201.09111	4.7
201.16431	1.6
202.06215	4.3
202.09732	1.8
203.07088	11.6
203.10654	4.2
203.14340	1.5
205.08675	1.3
207.06471	7.6
211.07561	2.3
213.05516	12.2
213.08998	3.0
214.06221	5.5
215.07013	51.5
216.07590	5.2
217.08582	9.3
219.10031	2.9
223.14777	1.5
225.09059	1.8
227.07057	13.0
227.10638	1.6
228.07736	3.1
229.05057	6.4
229.08597	19.3
229.12172	2.0
230.09268	3.2
231.10143	42.9
232.10744	2.4
233.08208	1.8
233.11571	1.8
241.08640	12.7
243.10155	14.6
245.11699	18.7
255.10114	7.9
256.10858	1.8
257.08939	1.4
257.11673	8.8
259.13150	1.8
267.08978	3.4
269.11240	2.4
271.13254	5.6
283.09543	4.4
283.13010	2.1
285.10321	3.5
285.14877	3.4
297.14767	4.9
298.15552	3.0
299.16309	3.4
311.16333	15.4
321.04733	1.4
321.14740	3.1
325.17957	2.1
327.15891	4.8
332.15598	4.4
332.65851	2.1
339.15912	13.7
349.21960	1.4
357.16910	8.5
367.22617	75.0
368.23074	3.4
377.20807	1.7
395.22128	42.8
395.29364	2.5
413.18399	5.6
413.23132	100.0
413.29990	5.5
413.68280	3.8
414.23306	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	415.1021
Annotation	Premithramycinone
Peak:m/z	Relative Intensity
51.88964	0.2
53.03926	0.3
55.01849	0.9
55.05497	0.3
56.96537	0.4
65.03909	0.3
67.01852	0.3
67.05492	1.0
68.99780	1.1
69.03406	0.5
69.07064	1.7
79.05487	1.8
79.65283	0.2
80.06264	0.2
81.03398	1.0
81.07025	1.2
83.04960	0.6
83.08603	0.2
85.02879	0.6
90.43120	0.2
91.05443	0.6
93.03398	0.2
93.07014	0.8
95.04936	0.6
95.08576	0.7
97.02870	0.3
97.05978	0.3
97.06521	3.1
97.10148	0.3
98.97585	0.3
105.07003	0.7
107.04919	0.3
107.08554	0.8
108.02081	1.5
109.02866	4.5
109.06558	0.3
109.10116	0.7
111.00771	0.8
115.05442	0.2
119.04939	0.3
119.08559	0.8
121.02856	3.2
121.06464	0.4
121.10070	0.3
123.04411	0.2
123.08016	0.3
123.11726	0.2
125.09622	0.2
126.03059	0.5
127.03919	0.4
131.04930	0.2
131.08543	0.4
133.10100	0.5
135.04404	0.2
135.08043	0.4
137.02313	2.1
137.05919	0.4
139.03879	0.6
145.06436	0.2
145.10129	0.4
149.05939	0.6
153.01805	12.4
154.02245	0.2
155.08557	0.3
157.10097	0.3
158.45912	0.2
159.11656	0.2
161.05965	0.6
163.03845	0.9
165.01799	1.0
166.02596	0.6
167.07082	0.2
170.02109	0.4
171.04256	0.2
173.09621	0.2
175.14780	0.3
177.05431	2.5
179.03392	1.6
181.04974	0.2
183.02806	0.5
183.11584	0.2
187.03888	0.5
189.05386	0.7
191.03392	1.6
192.04092	0.5
193.01389	0.5
194.02167	0.3
203.03386	0.6
205.04936	8.7
206.05692	2.6
208.03635	3.4
215.03340	0.4
216.04080	1.3
217.04915	1.3
218.02040	0.2
219.02863	16.1
220.03488	0.9
227.03174	0.3
229.04874	0.2
232.03648	0.8
233.04419	22.1
234.05124	2.7
243.02917	2.3
243.17229	0.3
244.03632	4.2
245.04408	2.7
247.02362	1.9
261.03912	12.0
262.04495	1.2
272.02991	0.5
273.03946	1.5
285.03979	0.4
289.03384	23.6
290.04144	7.3
300.02625	0.6
301.03363	3.5
302.04037	0.3
313.03354	1.5
314.04184	0.3
315.05099	0.3
317.02896	11.6
318.03659	86.1
319.04303	9.1
320.04709	0.3
329.02841	0.7
343.04324	0.3
351.08490	0.2
355.04404	1.0
355.08224	0.4
356.08868	0.7
371.07431	0.6
383.07605	1.0
397.09140	0.5
398.63242	1.2
399.13705	0.3
415.10168	100.0
416.10468	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	415.2302
Annotation	Pro Ile Trp
Peak:m/z	Relative Intensity
53.03936	0.3
55.01860	0.4
61.06226	0.3
67.05495	0.4
69.03413	1.0
69.07050	0.7
70.06576	0.9
71.04983	0.4
71.63641	0.3
71.64044	0.5
73.02907	0.3
79.05468	0.9
81.03401	0.5
81.07032	0.9
83.04941	0.5
85.02913	1.5
86.09672	0.5
91.05470	0.8
93.07039	0.7
95.04971	0.6
95.08590	0.7
97.02879	0.4
97.06522	0.8
98.97535	0.3
103.05393	0.3
105.07027	0.4
107.04970	0.3
107.08591	0.8
109.06467	0.5
109.10107	0.6
121.10187	0.3
123.04453	0.6
125.09618	0.3
126.26817	0.3
127.03895	0.5
131.08592	0.4
133.06523	0.3
133.10115	0.4
135.11664	0.3
137.05956	0.4
145.06509	0.3
147.04390	0.6
147.11624	0.4
149.09599	0.3
153.01805	3.3
157.09966	0.3
159.11693	0.4
161.05995	0.4
161.09592	0.4
163.03839	0.3
165.01802	0.4
167.07083	0.5
167.88191	0.3
171.88112	0.3
175.07536	0.3
175.11214	0.2
177.05479	0.3
179.03406	0.4
181.04970	1.4
201.05263	0.3
203.03333	0.4
203.05281	0.5
205.05121	0.3
217.05005	0.6
230.32460	0.3
235.16934	0.9
251.07256	0.3
253.17818	1.1
269.08151	0.3
273.03946	0.4
273.07263	0.3
285.03955	0.4
286.04791	0.4
297.04135	0.3
297.07562	0.7
309.07495	0.3
314.04050	0.5
325.06998	1.0
327.04767	0.4
353.06622	0.5
371.07574	8.3
372.07864	0.5
397.16623	0.4
397.21701	0.6
415.10852	5.4
415.22980	100.0
416.10617	0.7
416.23267	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	417.1171
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03902	0.2
55.01842	0.2
55.05498	0.3
57.03396	0.2
65.03909	0.5
67.05467	0.5
68.99772	0.3
69.03398	0.4
69.07042	0.3
69.59919	0.8
69.60341	0.4
71.04961	0.5
78.04685	0.4
79.05464	0.7
81.03367	0.2
81.07035	0.5
83.04967	0.2
85.02905	0.9
86.09680	0.4
91.05450	0.6
93.07035	0.4
95.04940	0.6
95.08577	0.2
97.02865	0.2
97.06502	0.4
103.05437	0.3
105.06995	0.3
106.04130	0.2
107.04946	0.9
107.08579	0.4
109.06494	0.2
109.10117	0.3
111.04413	0.3
115.05416	0.7
116.61506	0.2
117.07008	1.7
119.08541	0.5
121.02861	2.8
121.06538	0.2
121.10134	0.2
123.04391	1.3
123.08051	0.4
123.11661	0.2
124.05172	0.7
125.05978	0.3
127.05324	0.2
129.06947	0.2
131.04932	0.4
131.08488	0.2
133.10101	0.3
135.08057	0.2
138.03067	0.2
141.06941	0.4
144.05762	0.2
145.06479	2.9
145.10106	0.2
147.04350	0.2
147.07986	0.2
148.05153	0.2
149.02350	0.4
149.13187	0.1
151.03877	0.3
152.04610	0.5
155.06018	0.5
159.04436	0.2
159.08035	0.4
159.11615	0.3
161.05960	0.3
167.07027	21.1
169.06389	0.8
171.06523	0.5
173.05972	3.5
175.07527	0.3
177.12674	0.2
180.04115	0.2
181.04926	5.7
181.06494	0.3
187.07463	0.3
191.07047	0.9
193.08621	0.2
197.05943	1.0
201.05504	0.3
201.16389	0.2
205.08536	0.8
215.07025	0.9
219.13866	0.2
225.05470	0.4
226.06236	0.2
233.08083	1.6
235.09683	0.7
243.06522	0.6
253.04878	0.2
255.15930	0.2
271.05978	100.0
272.06317	1.9
301.06540	0.2
387.14362	3.0
417.15543	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	417.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01866	3.0
55.05500	1.4
58.70636	0.5
65.03921	2.1
67.05500	2.7
68.99773	1.5
69.03413	1.7
69.07061	2.8
70.82194	0.7
70.82538	1.4
78.04698	2.0
79.05478	3.1
81.03403	1.4
81.07050	3.7
85.02872	1.7
86.09693	0.8
91.05450	3.8
93.07033	2.3
95.04958	3.0
95.08582	2.5
97.02858	1.2
97.06512	4.3
99.08068	0.9
103.05466	1.7
105.07007	3.4
106.04201	0.9
107.04955	4.0
107.08591	3.4
109.06503	1.6
109.10142	2.5
110.03658	0.8
111.00735	0.9
111.04424	0.8
111.08065	0.7
115.05454	2.7
116.98589	0.7
117.06992	5.3
119.04957	0.7
119.08574	2.6
121.06483	1.7
121.10083	1.8
123.04423	5.8
123.08053	0.6
124.05196	2.6
125.05987	1.2
127.03917	0.8
128.06212	0.7
129.06982	1.8
131.04926	2.3
131.08553	2.0
133.06488	1.1
133.10117	1.7
134.39594	0.5
135.08057	1.2
135.11641	0.9
137.02335	1.1
137.05914	1.7
137.13373	0.6
138.03072	0.8
139.03833	0.6
143.08543	0.8
145.06453	7.5
145.10112	2.4
147.04366	1.2
147.08005	1.3
147.11702	1.0
148.05167	1.2
149.05991	0.9
149.09633	0.8
151.03886	1.2
152.04659	1.6
153.01804	11.2
155.06009	1.6
157.06494	1.8
157.10106	1.3
159.08012	1.2
159.11656	1.9
161.02274	0.7
161.09633	0.6
163.07593	2.9
165.01834	2.4
167.07018	66.3
168.07341	1.1
169.10187	0.7
171.04497	0.7
171.06470	1.9
171.11751	1.1
173.05969	9.9
173.13264	1.5
175.07520	2.3
177.05490	1.0
179.03371	3.3
181.04929	24.0
181.06500	1.4
181.10103	1.1
183.02846	0.9
183.11681	1.1
185.05975	1.6
185.13264	1.1
187.07527	0.9
188.64755	0.6
189.05524	0.8
191.03477	1.1
191.07014	5.8
193.08525	0.7
195.02803	1.2
195.08022	0.6
199.07558	1.2
199.14795	0.9
201.05585	0.8
203.03413	2.1
203.07072	2.0
205.05069	0.6
205.08574	2.0
207.02829	2.8
209.13304	0.7
213.05460	1.9
217.04959	2.2
217.08571	0.9
229.04817	1.0
231.06488	2.6
233.04407	0.8
233.08017	5.4
235.09612	1.9
239.01863	1.6
240.04192	0.9
241.04922	2.2
241.08585	0.7
243.06439	1.1
245.04417	2.7
251.26230	0.6
253.05054	0.9
254.05693	0.8
255.06528	1.0
257.04443	2.3
258.05167	1.4
259.05887	3.0
265.08557	0.6
266.05585	0.6
269.04391	3.0
269.07706	0.8
271.06015	2.4
273.03986	2.2
281.04428	2.0
281.07736	0.8
282.05157	1.5
283.06314	1.1
283.09616	4.8
285.03897	7.3
285.07184	1.1
286.04706	2.0
287.05450	6.4
287.08789	1.4
289.03366	1.9
291.00424	0.6
293.08005	1.7
297.03867	3.8
297.07138	1.2
298.04773	0.8
299.09058	3.9
301.03366	2.8
301.10712	2.6
303.04977	0.8
309.03879	1.4
310.04681	1.2
311.05737	1.2
311.09116	6.5
313.03375	37.7
314.04123	10.6
315.04880	2.8
315.08606	3.1
321.07513	0.9
325.03168	1.0
327.04913	2.5
327.08603	3.6
329.10150	13.8
339.04688	1.2
339.08594	15.7
340.09067	1.1
342.03632	1.7
342.07278	0.7
343.07870	1.2
355.08060	13.6
355.11758	1.4
356.08795	9.7
357.09631	29.9
358.09879	1.2
367.08038	10.3
371.11267	2.0
381.13342	1.1
385.09109	100.0
386.09406	4.7
387.14371	9.9
389.12344	0.7
399.10400	4.7
399.14999	0.7
417.11343	6.9
417.15408	21.1
417.27148	4.6
418.16025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.97071	0.3
53.03936	0.8
53.84487	0.3
55.01863	0.9
55.05487	0.4
59.68702	0.3
59.93412	0.4
65.03937	3.5
67.05504	2.0
69.03402	1.4
69.07061	0.7
69.45461	3.6
71.04974	0.4
72.08134	0.4
78.04702	2.8
78.76532	0.4
79.05130	0.3
79.05493	3.8
79.98148	0.4
81.03388	1.0
81.07030	1.5
82.04179	1.3
85.02887	3.1
86.06030	0.4
86.09692	1.1
91.05476	2.8
93.03394	0.5
93.07037	1.1
95.04975	2.4
95.08585	0.7
96.05724	0.5
97.02872	0.5
97.06507	1.5
98.21195	1.7
101.02512	0.4
102.04711	0.4
103.05458	5.4
105.03396	0.6
105.04533	0.5
105.07038	1.2
106.04179	1.7
107.04947	6.2
107.08590	0.9
108.02066	0.9
109.02821	0.5
110.03644	1.5
111.04403	1.1
115.05437	3.9
116.98567	0.5
117.07018	5.8
118.04128	1.6
118.07360	0.5
119.04948	0.6
119.08525	0.7
121.06482	0.9
121.10135	0.9
122.03576	0.7
123.04408	8.0
124.05206	3.6
125.05975	1.6
127.05403	0.8
128.06067	0.4
129.06978	0.8
130.04163	0.7
131.04918	3.8
131.08594	0.5
132.05690	0.6
133.02876	0.7
133.06479	1.1
133.10118	0.4
134.03566	0.5
135.08131	0.5
137.05934	1.4
138.03146	0.9
139.03891	0.5
142.02603	0.9
144.05576	0.5
145.06468	9.5
145.10158	0.4
146.06853	0.4
147.08009	0.9
148.05183	3.2
149.05881	0.5
151.03914	1.5
152.04713	2.3
153.05435	0.9
155.06053	2.8
156.05624	0.4
159.11740	0.5
161.05989	1.1
163.07520	3.9
167.07027	100.0
168.07375	1.8
171.06474	3.0
173.05971	15.3
175.07506	0.9
177.05403	0.5
179.03403	0.9
179.07021	0.6
181.04942	42.2
182.05353	0.8
187.07536	0.7
191.07018	12.6
195.06563	0.9
201.05435	0.6
205.08588	3.6
208.43143	0.4
217.08560	0.9
219.10059	0.8
228.64622	0.5
233.08028	5.2
235.09653	3.0
237.58789	0.4
245.07964	0.5
249.99510	0.4
254.18394	0.4
263.09183	0.9
267.10257	0.4
271.06165	0.4
297.11163	0.6
325.10632	0.4
357.13190	0.7
373.08105	0.7
381.13370	1.2
385.12915	0.9
387.14362	12.7
388.14722	0.6
399.14465	1.3
417.15469	33.3
418.15863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2782
Annotation	Machillene
Peak:m/z	Relative Intensity
53.03951	4.3
55.05494	12.2
57.07064	7.4
64.80668	3.4
67.05499	35.2
69.07052	15.7
71.04973	5.8
71.61938	5.0
71.62301	4.8
76.49537	3.3
79.05483	24.3
81.07045	45.4
83.04981	5.1
83.08595	10.1
85.06548	3.9
91.05470	29.1
93.07026	43.4
95.04968	11.1
95.08582	41.9
98.98448	10.4
104.40484	3.7
105.02950	3.6
105.07021	74.4
107.04970	4.2
107.08587	45.0
109.06507	80.1
109.10130	32.4
111.08093	6.9
117.07014	15.1
119.08576	70.3
121.06544	6.6
121.10118	66.6
123.02993	3.8
123.08067	11.4
123.11687	17.0
128.06232	8.2
129.06970	15.3
130.07759	4.3
131.08562	38.1
133.10104	63.8
135.08070	19.6
135.11690	37.7
137.05972	4.6
137.09610	5.4
142.07764	19.2
143.08525	27.3
144.09276	4.8
145.10097	42.3
147.08035	14.7
147.11656	13.8
149.09605	12.3
149.13202	4.9
153.07021	4.9
155.01022	14.2
155.08534	14.1
156.09274	10.4
157.10117	46.0
158.10886	5.5
159.08061	10.4
159.11661	24.1
161.09607	14.9
161.13257	6.0
163.07573	5.2
163.11157	5.3
163.14848	4.6
165.07120	5.7
167.07039	8.3
167.08409	5.7
169.10101	20.5
171.11673	29.6
171.60149	3.7
173.09526	9.6
173.13194	23.6
175.11118	5.2
175.14803	18.9
179.08527	11.5
180.09338	6.6
181.10101	14.2
182.10951	8.4
183.11691	28.9
184.12653	4.2
185.09636	11.7
185.13261	14.4
187.11189	8.3
187.14816	15.3
189.16458	4.7
191.39116	4.0
193.10114	10.6
194.10875	9.1
195.11670	22.6
196.12407	5.6
197.09627	9.0
197.13258	12.7
199.11137	13.9
199.14804	11.4
201.12735	8.0
201.16377	4.0
206.10875	10.6
207.11682	9.6
208.12473	4.7
209.13287	15.2
210.13911	5.5
211.11131	8.0
211.14821	10.4
213.12697	8.7
213.16367	12.6
219.11723	9.9
220.12415	6.3
221.13223	10.4
223.11171	5.3
223.14758	10.5
225.12704	8.2
225.16324	5.0
227.14250	5.8
229.12245	5.7
231.11671	5.1
231.17471	6.2
233.13239	9.2
235.14795	16.0
237.12582	6.3
237.16364	7.5
239.18016	5.8
241.19514	7.6
243.11607	4.6
245.13292	6.6
246.14214	5.0
247.14798	8.6
249.12685	5.7
249.16217	6.8
251.14262	7.6
251.17838	5.7
253.15843	5.9
259.14911	6.8
261.16449	5.1
263.23642	8.3
267.17264	4.2
271.14807	4.9
273.16309	4.5
275.17728	4.3
277.15912	10.2
279.17361	9.6
295.17038	7.6
297.22134	5.1
323.20334	4.6
331.24155	5.3
341.22675	5.6
357.25458	7.8
359.23740	14.8
373.24826	4.4
374.25458	5.4
375.26874	16.9
399.26614	29.7
417.27655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.9
61.02894	0.6
69.03411	0.9
69.72889	4.4
70.06594	0.8
70.54247	0.6
73.06516	0.8
76.04002	0.8
77.12076	0.6
79.05469	0.9
82.48777	0.6
85.02896	2.9
86.09708	0.7
89.30580	0.8
91.05453	1.1
93.07027	0.7
95.28832	0.8
97.02866	1.3
98.20581	0.8
98.97578	1.0
103.05476	5.9
107.04955	1.2
119.04939	1.1
120.08095	100.0
121.08437	2.3
123.04401	1.1
127.03938	0.9
131.04935	2.1
133.02786	0.7
135.04349	1.2
137.05991	1.7
139.03844	0.8
145.04982	0.8
146.99594	0.8
147.04391	2.2
149.05991	2.5
153.05389	0.8
163.03876	1.6
166.08629	51.4
167.08957	1.1
179.07033	0.8
190.84280	0.8
195.01082	0.9
209.99908	0.7
221.02914	1.1
237.02863	0.9
238.10660	0.8
256.11707	2.0
316.06003	0.7
342.10052	0.8
419.15598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21397	6.3
53.28449	6.5
55.01865	10.3
55.05497	28.0
57.03428	15.1
57.07062	6.6
61.02913	7.7
65.03947	6.0
67.05495	60.9
69.07056	100.0
69.07410	9.6
70.73416	10.3
70.73747	11.3
71.04993	41.8
73.02915	12.5
79.05492	61.4
81.03400	13.9
81.07040	66.2
83.04981	17.1
83.08598	14.3
85.02895	11.4
86.37447	5.7
91.05453	29.7
93.07027	61.3
95.04955	27.9
95.08601	36.1
97.02818	6.7
97.06512	69.2
98.21360	6.6
105.07024	29.2
107.04962	19.0
107.08584	30.3
109.06531	23.8
109.10156	18.7
111.08078	10.0
115.07552	89.7
117.07008	23.2
119.08576	27.9
121.06522	9.7
121.10129	25.7
123.04413	9.9
123.08034	9.5
129.06995	7.8
131.08531	24.7
133.10103	29.2
135.08028	8.0
135.11694	16.2
136.25453	6.1
143.08566	11.9
145.06435	7.8
145.10095	13.5
146.06725	8.1
147.11687	15.3
149.09583	11.6
149.13261	27.6
153.05328	5.7
157.10094	7.9
159.11690	10.4
161.09526	9.3
163.11218	7.0
167.06996	94.0
168.07339	58.4
169.07695	6.5
171.11670	10.3
173.05972	11.6
175.11137	11.9
177.12654	11.5
181.04945	32.1
182.05313	20.5
187.11140	7.1
195.13785	7.7
199.11050	6.1
199.14766	8.7
217.15921	7.1
269.17377	31.0
273.18600	19.6
291.19528	7.7
297.16891	16.3
365.23181	15.3
388.14529	14.2
418.15613	45.3
418.25766	8.9
418.30444	56.9
419.15179	8.2
419.29526	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	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01870	0.3
57.03435	6.0
60.38615	0.2
61.02916	1.8
64.68785	0.2
68.99790	0.6
69.03418	0.4
69.62163	0.2
70.19704	0.2
70.20017	1.0
70.38770	0.2
71.01355	0.2
73.02913	14.8
79.05479	0.3
85.02877	0.5
89.88477	0.2
95.04926	0.2
98.21381	0.3
105.03352	0.3
107.04946	0.6
109.02921	0.3
111.00793	0.7
113.30291	0.2
115.03946	1.0
119.04929	0.3
119.08587	0.2
121.02871	2.6
123.04430	1.6
133.02826	0.3
137.02325	1.0
145.06458	0.3
147.04385	0.8
153.01830	4.4
157.06473	0.4
161.05989	0.3
165.01819	2.0
167.07047	0.7
171.04413	0.3
177.05434	0.3
181.04942	0.4
183.02869	0.8
185.05940	0.6
191.06966	0.2
213.05479	1.8
231.06476	0.7
241.04968	0.7
249.11276	0.3
258.05197	0.9
259.06049	0.5
287.05481	100.0
288.05771	2.7
325.07159	0.4
326.80032	0.2
363.46689	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05506	9.3
57.07071	2.8
58.99580	3.6
67.05496	17.9
69.07060	14.8
71.04997	2.3
71.08593	2.5
71.60983	2.5
73.02914	11.5
74.00665	14.0
76.02218	7.7
76.15456	1.4
79.05476	9.4
81.03407	3.0
81.07044	33.2
83.08617	6.7
86.00652	9.7
86.99019	2.1
91.05475	9.4
93.07027	16.1
95.04969	3.9
95.08597	59.0
97.10160	2.1
100.02176	4.4
105.00104	4.7
105.07021	20.6
105.97845	3.3
107.08582	17.9
107.99397	8.1
109.06522	2.6
109.10127	17.5
113.04045	1.6
113.04743	7.0
117.07013	4.7
119.04970	2.5
119.08569	22.9
120.01197	2.2
121.06464	2.1
121.10136	14.4
122.02715	100.0
123.11671	4.9
124.04002	2.3
127.03897	6.4
128.06157	2.5
129.06973	4.9
130.07803	2.0
131.08559	11.3
131.99358	56.2
132.01146	5.9
133.10117	13.8
135.11676	12.5
136.97241	11.5
137.13249	3.2
141.07007	3.9
142.07727	3.3
143.08553	7.6
144.01086	2.2
145.01924	22.3
145.06395	3.0
145.10123	13.4
147.11676	9.9
149.02318	2.2
149.09581	3.0
149.13235	4.9
151.14798	6.8
153.99883	39.5
154.07796	2.5
155.08559	5.4
156.09340	5.2
157.10110	17.9
159.07997	2.4
159.11688	13.7
161.06125	1.8
161.09610	2.3
161.13292	9.2
163.11214	2.2
163.14777	3.4
167.08577	2.9
168.09329	2.3
169.10118	14.4
169.15910	2.9
170.10854	2.0
171.11679	12.9
173.09641	2.8
173.13229	7.4
175.14795	9.2
177.99898	86.7
180.09216	2.1
181.10115	5.3
182.10948	2.5
183.11714	11.6
183.13148	1.7
185.13277	8.2
187.11234	2.5
187.14740	8.3
189.16400	10.0
191.17958	5.5
195.02556	26.4
195.11676	4.8
196.12447	2.8
197.13142	10.9
199.14822	5.7
201.12755	6.0
201.16348	5.7
203.17842	4.0
205.09914	2.3
205.99361	4.0
207.11484	2.6
209.13269	3.6
211.14810	12.1
213.16335	3.9
214.18034	2.1
215.14343	6.7
217.15898	2.0
221.13228	2.8
223.02045	75.6
223.14772	3.4
225.16412	3.3
227.17931	2.8
229.15918	10.6
229.19478	2.8
235.14763	3.0
236.59177	1.7
237.16399	3.3
239.14098	2.2
248.16377	1.7
249.16463	2.3
251.17792	2.2
253.15857	2.5
255.20850	1.8
263.17972	3.8
266.17496	41.8
267.17630	2.3
267.21170	1.8
275.20068	4.7
277.19400	2.9
281.18826	2.6
283.20346	2.6
321.22009	2.3
373.16144	7.0
377.28299	3.0
391.16876	3.8
401.32327	7.9
419.16721	41.5
419.33530	62.2
433.70233	1.8
443.47366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	1.0
55.01867	1.7
55.05503	4.6
58.99573	2.6
63.93393	0.9
67.05495	8.8
69.07052	5.6
70.27123	3.5
71.04987	1.3
71.47528	0.7
73.02906	13.2
74.00655	15.1
74.02431	1.0
76.02216	7.5
79.05486	2.3
81.03381	1.8
81.07047	14.0
83.08600	4.3
84.46983	0.8
85.02880	1.0
86.00642	7.4
86.99051	1.8
91.05461	3.0
93.07026	3.3
95.03696	1.1
95.08596	29.8
98.02445	0.9
99.01406	1.9
100.02188	4.3
100.03982	1.3
105.00079	6.0
105.07014	2.6
105.97813	4.3
107.08580	3.6
107.99372	6.1
109.06543	0.8
109.10136	5.8
110.06043	1.9
113.04770	5.2
117.07049	0.9
117.99620	1.4
119.08564	4.4
120.01155	2.4
121.10141	2.1
122.02711	100.0
123.08067	1.0
126.56330	0.8
127.03912	1.1
131.08534	2.0
131.99358	51.5
132.00957	5.6
133.10107	3.0
135.11681	1.1
136.97249	12.0
143.08528	1.0
144.01147	2.0
145.01912	21.6
145.10107	1.7
149.09598	0.9
151.14771	4.1
153.99898	40.6
157.10133	1.6
159.11653	2.4
161.13210	1.7
164.31430	0.9
167.07071	0.9
169.15855	3.5
171.11676	0.9
173.13222	1.3
177.99893	86.7
183.11681	1.5
185.13281	1.9
195.02544	27.9
197.13235	2.1
199.14699	1.1
205.01036	1.5
205.99361	2.9
210.18547	0.9
214.18039	1.6
220.17024	2.4
223.02025	78.2
225.16568	0.9
229.15895	0.9
238.17867	1.3
248.16519	1.8
251.01540	0.9
265.55328	0.9
266.17484	40.2
267.17676	0.9
275.20120	1.5
280.44070	0.8
300.16351	1.1
373.16156	7.8
391.17108	5.9
419.16653	39.5
419.23032	1.6
419.29358	5.7
420.17072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.5
58.80537	3.3
65.03915	3.7
67.05481	4.1
69.03431	4.8
70.06546	4.1
70.13013	3.4
71.61674	7.7
79.05473	15.5
81.03423	7.0
81.07035	7.6
82.04253	3.7
85.02872	7.2
85.09180	3.5
91.05467	9.2
93.03398	3.8
93.07043	8.4
95.04962	7.6
95.08620	6.8
97.06511	4.1
103.05455	5.3
105.07028	10.4
107.04966	14.4
107.08644	7.6
115.05437	5.1
117.07006	7.2
119.08577	4.4
123.04429	7.4
123.11658	4.5
124.05264	4.7
125.06017	4.4
128.06314	4.0
129.06969	5.5
131.04918	10.8
131.08612	7.1
133.06442	6.0
133.10118	4.6
137.05988	6.0
144.05666	4.4
145.06477	5.6
148.05203	6.8
153.01863	4.7
153.05475	7.2
159.08054	11.5
161.05997	9.1
163.07535	7.0
167.07018	75.3
168.07401	6.4
169.07660	3.7
173.06047	11.7
177.05453	11.9
181.04942	30.5
183.06508	5.3
187.07544	11.0
191.07008	37.3
200.34242	4.8
205.08580	16.0
208.05191	12.3
209.08006	22.5
217.08614	16.9
218.07355	5.7
219.08057	4.4
219.10005	7.1
239.07097	4.3
239.20135	4.5
247.07352	6.9
247.09683	9.9
249.11098	18.7
253.04965	6.7
257.08060	9.7
263.10678	4.8
264.07874	5.9
269.08075	19.1
281.04395	8.2
282.08801	5.1
307.09680	6.0
315.08554	64.6
330.10934	100.0
337.10617	4.1
343.11844	5.2
351.12244	15.7
369.13300	20.3
383.14874	18.1
401.16037	18.4
419.07388	7.3
419.18893	29.4
419.29092	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	419.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05508	9.2
57.03437	1.3
57.07067	2.0
67.05494	14.0
69.03422	1.3
69.07059	9.7
71.05003	1.5
71.08622	1.4
71.62765	1.1
71.63144	1.2
77.03903	1.2
79.05480	12.1
81.07050	28.8
82.62919	1.0
83.04982	5.9
83.08601	3.6
85.06532	1.3
91.05464	11.5
93.07037	13.8
95.04955	3.8
95.08612	10.9
97.06519	2.8
97.10157	1.5
105.07017	15.1
107.04950	3.8
107.08591	11.0
109.06495	5.8
109.10138	3.8
111.08106	2.0
117.07013	5.6
117.20238	1.0
119.08564	10.9
121.06471	6.8
121.10110	7.7
123.08070	4.1
123.11664	2.0
128.06223	1.2
129.07028	2.1
131.08546	11.6
133.06500	1.6
133.10133	10.6
135.08047	3.1
135.11661	3.7
137.09589	2.5
143.08539	2.4
145.06451	2.0
145.10106	8.9
147.07974	1.6
147.11649	8.2
149.02301	1.3
149.09602	3.8
149.13318	2.5
151.11188	2.5
157.10117	3.4
159.08017	1.8
159.11699	5.7
161.09669	1.9
161.13258	1.6
163.11171	3.4
165.12709	1.0
169.02664	1.2
169.10039	1.6
171.11716	1.7
173.09612	1.9
173.13237	4.8
175.11153	1.7
177.12773	1.2
183.11755	1.7
187.11179	1.9
191.14403	1.5
196.67772	1.3
197.13232	1.9
201.12758	1.8
219.13805	1.5
229.19492	1.9
239.17949	3.0
247.20644	1.8
257.19016	10.9
275.20035	100.0
276.20422	3.0
287.99091	1.0
293.21124	12.5
340.30573	1.1
419.27780	16.7
419.32974	1.8
420.28299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3302
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
55.05502	5.6
57.07060	3.0
67.05493	10.4
69.07063	11.6
69.50453	1.1
69.50856	5.1
73.69382	0.6
79.05484	7.0
81.07047	21.5
83.04964	1.2
83.08622	4.6
89.94807	0.7
91.05455	8.4
93.07029	16.6
93.07610	1.0
95.04948	1.5
95.08594	36.0
97.10157	2.1
98.20736	1.0
98.21390	1.8
105.07012	19.1
107.05005	0.7
107.08585	23.7
109.06519	1.7
109.10149	16.5
111.08090	0.9
111.11757	0.8
115.05418	1.3
117.07040	3.7
119.08561	22.7
121.06509	0.8
121.10122	16.3
122.02708	3.8
123.08035	1.6
123.11697	6.7
128.06223	1.7
129.06996	2.8
130.07654	0.8
131.08559	9.2
131.99342	2.0
133.10117	14.6
135.11676	13.7
137.13248	5.6
137.26839	0.8
137.44292	0.6
141.06982	3.0
142.07788	4.8
142.95480	0.9
143.08554	8.6
144.09340	1.0
145.01855	0.7
145.06538	1.1
145.10106	17.7
147.08043	1.7
147.11679	10.9
149.09575	1.1
149.13235	8.7
151.14799	1.9
153.06995	1.1
153.99831	1.1
154.07771	1.2
155.08525	7.8
156.09311	6.5
157.10109	16.7
158.10829	1.4
159.08055	2.4
159.11673	12.3
160.12274	0.9
161.09636	1.2
161.13222	8.2
163.05658	0.7
163.14751	3.8
167.08502	3.6
168.09341	5.0
169.10081	13.0
170.10916	4.0
171.11655	13.2
172.08806	1.1
172.12392	1.2
173.09644	2.9
173.13237	8.8
175.11211	1.9
175.14809	14.6
177.12762	0.8
177.16376	2.1
177.99937	3.0
179.08530	1.4
181.10095	3.9
182.10855	3.4
183.11681	16.1
184.12329	1.1
185.09714	1.1
185.13243	10.5
187.11266	1.4
187.14806	9.6
189.12775	1.4
189.16342	10.7
191.14299	1.2
191.17924	7.7
193.10167	1.9
194.10799	1.3
195.02681	0.9
195.11705	5.3
196.12448	4.4
197.13211	12.1
199.11134	1.2
199.14792	6.9
201.12752	7.0
201.14626	1.3
201.16370	6.5
203.14359	1.2
203.17946	6.1
205.19495	1.3
206.10938	1.3
207.11696	2.7
208.12381	1.5
209.13222	5.9
211.14795	14.6
212.15115	0.8
213.12776	2.2
213.16319	4.5
215.14293	9.9
215.17955	2.6
217.15921	3.0
217.19502	2.3
220.12547	0.8
221.13229	2.2
222.13889	1.0
223.02077	3.0
223.14774	3.4
225.12776	1.0
225.16302	3.6
227.14330	3.3
227.17943	2.7
229.15852	12.7
229.19574	2.0
231.21101	1.1
233.13208	0.9
235.15009	1.6
237.16376	3.6
239.17964	2.8
241.15919	2.1
241.19504	1.6
243.17406	1.6
249.16380	1.6
250.17204	1.0
251.17976	3.1
253.19562	2.4
255.17467	1.4
255.21094	1.9
257.22632	1.2
263.17920	4.2
265.19498	3.2
266.17377	1.4
267.17435	1.2
267.21191	1.4
269.19016	2.1
269.22571	1.0
271.20444	1.1
277.19489	1.7
279.21130	1.5
281.18964	5.9
283.20572	3.1
283.24161	0.7
291.21109	0.8
293.22589	1.4
295.20355	0.8
297.22031	0.8
307.24243	1.0
317.22647	1.1
319.24155	0.8
331.24265	0.8
335.23645	1.1
345.25870	1.5
363.26926	1.7
376.27698	1.0
377.28223	1.5
389.32013	2.7
391.33450	3.3
401.32065	9.9
419.33099	100.0
420.33423	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	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94556	1.0
57.03433	14.2
59.04992	3.2
60.04509	2.3
61.02905	1.2
65.03941	1.3
69.03423	58.5
70.87724	2.2
73.02897	2.9
75.04450	1.7
79.05481	1.7
81.03404	2.2
85.02897	43.3
87.04460	48.3
91.05473	90.9
97.02883	69.3
99.04430	2.0
105.07029	3.2
107.04958	7.6
109.02856	1.4
115.03920	94.0
116.04271	1.5
117.05470	3.4
117.07039	1.3
127.03904	8.1
129.06947	1.0
131.08511	1.3
133.04953	100.0
133.06534	4.4
145.04950	11.6
145.06078	1.4
145.06456	1.2
150.07588	12.7
151.03873	1.3
157.06494	1.1
159.08017	1.5
161.04430	4.1
163.05983	3.5
169.04941	1.4
171.08005	1.8
175.07532	2.4
184.06046	1.1
194.24123	1.1
204.42818	1.0
205.08575	3.2
211.39812	1.0
217.08591	3.5
223.06068	2.0
223.09615	13.7
229.07213	1.2
235.09569	2.8
241.07060	2.8
253.10609	4.6
259.08093	4.9
277.09143	3.5
295.10226	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05527	0.8
55.01879	5.2
56.89003	0.8
57.03432	9.5
59.04995	1.8
61.02925	5.1
65.03949	1.0
69.03422	11.3
70.16952	1.4
70.17356	2.3
71.01343	1.4
72.04511	1.0
73.02911	13.1
75.22495	0.7
79.31435	0.7
81.03414	2.3
85.02897	29.0
86.99138	0.8
87.04470	1.6
87.19450	0.8
88.00811	0.7
91.05472	100.0
92.05793	1.7
97.02882	29.7
103.03912	1.4
105.07039	1.8
109.02875	1.6
115.03911	11.8
117.07059	1.3
119.40726	0.7
124.99685	1.0
127.03905	7.2
129.06992	1.5
131.08545	1.2
132.06567	1.8
133.04961	11.3
133.06506	2.8
145.04958	11.7
145.06454	1.9
150.07628	2.6
157.06448	1.7
161.04419	3.6
163.05956	4.2
171.08015	1.6
205.08727	1.0
217.08632	2.4
223.05969	1.4
235.09560	2.6
241.07120	1.8
253.10735	2.9
259.08084	2.0
295.10413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05499	4.6
57.03401	1.3
61.02905	1.2
62.06081	100.0
67.05495	8.2
69.03402	4.1
69.07050	7.3
70.02942	1.4
70.06557	4.5
70.29767	4.6
71.04974	6.9
79.05466	6.1
81.03394	4.8
81.07037	14.8
83.04965	2.0
83.08607	4.0
83.65807	1.2
85.02881	11.5
85.06529	4.5
86.09683	3.6
87.04482	1.0
91.05486	6.2
93.07034	8.7
95.04940	3.1
95.08588	18.0
97.02872	2.5
97.06529	3.3
97.10168	1.4
98.05994	1.7
99.04461	1.8
99.08044	1.3
105.07018	7.0
107.04963	7.0
107.08562	6.6
109.06525	1.9
109.10128	5.1
111.04366	1.3
111.08036	1.8
117.07001	1.8
119.08610	7.1
121.06503	2.8
121.10101	3.9
123.04455	2.6
123.08063	1.6
127.03922	1.4
128.07095	1.3
129.07037	1.6
131.04900	2.0
131.08527	3.0
133.10100	4.9
135.11667	3.5
137.05962	2.3
138.05515	1.2
139.03929	1.3
145.04936	1.9
145.06335	1.5
145.10014	2.6
147.11664	5.0
149.05984	1.7
149.09569	2.7
151.65479	1.2
153.01949	1.2
157.10080	2.0
161.13237	7.4
163.11116	1.2
167.07013	6.6
168.07431	1.3
169.10132	1.6
173.13222	1.8
177.05362	1.1
179.14281	3.0
181.04904	2.7
181.08687	1.1
182.05321	1.7
187.14847	3.1
191.14241	3.0
193.08633	1.6
193.12181	3.1
195.10150	1.4
199.14818	1.3
203.14461	1.2
205.15843	2.7
209.08084	2.2
211.13268	5.4
222.18541	3.5
223.13188	2.7
223.16859	7.5
225.74190	1.2
228.19588	3.9
236.24646	1.3
240.19556	68.4
241.17863	1.4
258.20609	81.9
259.09702	1.7
259.21112	1.8
264.07593	1.3
288.05804	1.7
361.02106	7.4
361.67218	1.6
379.03247	3.4
402.16272	2.2
403.03445	3.3
420.29596	2.3
421.05362	8.9
421.15689	1.5
421.25845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.8
55.05515	7.5
57.03436	10.2
57.07072	37.6
60.05693	0.9
66.84316	1.0
67.05499	14.0
68.61640	0.9
69.07060	14.1
71.04980	2.2
79.05489	10.5
81.07055	27.0
83.04972	2.5
83.08609	4.9
85.06543	16.1
86.27106	0.8
91.05468	7.9
92.85378	0.9
93.07043	14.1
95.04968	3.8
95.08598	21.0
97.06514	4.4
97.10198	1.0
98.20655	1.6
99.08104	1.0
105.07030	10.4
105.75302	0.9
107.08587	18.4
109.06509	15.3
109.10158	7.4
111.04434	2.5
111.08079	4.2
115.05482	0.9
117.07048	1.3
119.08575	12.3
121.06479	2.2
121.10139	9.5
123.08079	13.8
123.11710	3.9
125.05985	2.9
125.09608	1.1
129.07019	1.9
130.07755	0.9
131.08580	4.4
133.10123	8.2
135.08031	16.0
135.11681	6.3
137.05965	23.5
137.09613	2.8
137.13234	2.3
139.07552	2.8
143.08499	2.3
145.10124	5.2
147.08029	2.3
147.11713	6.3
149.09602	4.1
149.13231	3.8
151.07555	6.9
151.11150	4.3
153.12740	2.6
157.10149	3.5
159.11661	5.6
161.09602	4.3
161.13283	4.3
163.11185	3.1
163.14832	2.5
165.09100	1.3
165.12784	7.6
167.14299	0.9
171.11658	2.6
173.13283	3.1
175.11194	2.0
175.14859	2.2
177.12715	7.9
179.14398	4.8
183.11678	1.2
185.13261	2.5
187.14842	2.1
189.12701	2.0
189.16356	1.6
191.06854	0.9
191.14349	3.4
193.12244	6.3
195.13808	1.4
197.13185	1.3
199.14824	2.6
201.16399	2.7
203.14325	1.1
205.12318	1.5
207.13861	6.9
213.16423	1.6
230.18094	1.2
231.17412	1.8
233.19038	3.5
239.18033	1.1
263.19980	4.9
277.21695	1.0
291.19598	1.7
301.25201	1.3
305.24753	1.3
319.26227	10.7
328.53183	1.1
329.21274	2.0
329.24591	5.5
337.27472	4.9
347.25800	100.0
348.26199	6.5
365.22379	1.0
365.26886	19.3
366.27139	1.3
393.30005	12.4
403.28763	3.7
421.29556	86.3
421.34409	4.1
422.29633	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75533	1.6
55.01857	4.3
55.05504	13.3
57.03429	9.0
57.07074	11.2
62.60159	1.9
67.05502	27.7
69.07062	29.2
69.44261	5.1
69.44682	9.7
71.04982	2.5
71.08610	3.6
79.05486	17.6
81.07053	33.1
83.04967	3.8
83.08604	12.6
85.06535	6.4
91.05469	11.1
93.07035	27.2
95.04961	6.7
95.08601	26.1
97.06518	10.4
97.10135	1.6
98.21493	1.9
101.81577	1.6
105.07008	11.8
107.08591	32.4
109.06507	15.4
109.10150	15.5
111.04461	6.3
111.08072	4.5
111.46598	1.7
117.07003	3.1
119.08568	15.4
121.06529	2.3
121.10133	13.4
123.08067	12.9
123.11666	4.1
125.05991	5.8
125.09595	2.1
131.08571	5.7
133.10104	7.8
135.08029	18.2
135.08946	1.9
135.11699	14.3
137.05965	15.5
137.09619	2.7
138.06685	1.7
139.07561	1.6
143.08603	3.6
145.10114	7.0
147.11690	8.2
149.02411	2.2
149.09630	4.5
149.13269	6.2
151.07545	8.1
151.11256	2.0
153.12770	6.2
157.10172	3.9
159.11676	5.1
161.09641	4.4
161.13252	4.8
163.11224	5.2
163.14880	2.3
165.12750	5.2
167.14284	2.2
171.11719	3.3
173.13229	2.3
175.11180	1.8
175.14818	3.7
177.12782	9.0
179.14294	5.4
181.12267	7.1
183.11655	2.0
184.04259	1.8
185.13187	2.0
187.14790	2.9
191.14490	1.9
199.14810	2.7
201.16403	2.1
203.14311	1.7
203.17982	2.9
205.16060	1.8
211.15034	1.9
213.16376	2.5
217.14229	2.1
221.19066	3.2
235.20569	6.4
247.83409	1.6
249.18660	3.5
263.20074	4.9
287.23685	2.1
305.24725	90.4
306.25153	5.6
319.26288	25.3
329.24805	6.8
337.27386	4.1
347.25775	100.0
348.26196	7.0
361.44278	1.8
365.26895	13.9
393.30087	8.1
403.24484	3.3
421.29581	80.4
421.34509	6.0
422.29953	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	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.8
51.52370	1.3
53.03926	2.9
55.01855	2.3
55.05506	14.3
57.03395	2.3
57.07042	1.9
65.03934	1.9
67.05495	29.3
69.03394	3.7
69.07061	14.1
71.04971	2.7
71.63473	2.3
74.85119	1.3
76.68790	1.3
79.05489	19.3
81.03384	4.4
81.07045	37.4
83.04955	8.3
83.08620	6.2
85.06488	2.0
91.05460	23.3
93.07029	32.3
95.04951	14.2
95.08592	44.3
97.06473	4.4
97.10125	5.1
99.04462	1.3
99.08054	2.3
100.50233	1.5
103.05442	1.4
105.07014	51.0
107.04900	4.5
107.08578	42.2
109.06457	5.1
109.09447	2.5
109.10140	26.7
111.04421	1.3
111.08040	5.4
115.05401	3.8
117.07006	12.4
119.08565	70.7
119.85312	1.4
120.08884	2.8
121.06488	8.6
121.10123	29.4
123.08012	5.1
123.11687	8.0
125.09552	5.2
128.06172	4.5
129.06999	9.5
129.86287	1.2
130.07767	2.5
131.07570	1.8
131.08549	35.2
133.06438	3.0
133.10118	37.1
134.10498	1.5
135.08058	8.3
135.10794	1.7
135.11673	16.7
137.05885	1.4
137.09558	3.2
137.13193	3.2
141.06912	3.6
142.07759	11.2
143.08528	24.6
144.09222	5.7
145.06416	2.3
145.10104	100.0
146.07294	1.5
146.10419	1.8
147.07986	6.1
147.11656	20.9
149.09500	4.4
149.13220	9.1
151.11090	2.6
153.06856	1.6
155.08524	8.2
156.09314	12.7
157.10114	49.5
158.10959	8.5
159.07993	4.8
159.11667	54.9
160.12025	1.6
161.09624	12.1
161.13232	14.9
163.11186	7.1
163.14833	6.5
165.12659	2.7
167.08490	2.6
168.09309	3.2
169.10127	11.8
170.10875	11.2
171.08055	3.2
171.10257	1.9
171.11659	35.6
172.12267	2.3
173.09552	4.4
173.13239	58.2
174.13605	3.0
175.11214	6.5
175.14799	17.5
177.12692	5.2
177.16309	3.6
179.08495	1.9
179.14227	1.9
180.09277	1.4
181.10065	5.3
182.10838	3.6
183.11685	33.2
184.12280	4.6
185.09586	2.4
185.13237	44.4
186.13757	2.2
187.11110	5.0
187.14793	42.3
188.15102	1.8
189.12749	7.1
189.16400	9.3
191.14319	8.5
191.17850	1.7
193.10156	1.5
193.12158	3.9
193.15807	4.2
194.10841	2.2
195.11638	4.3
196.12396	2.3
197.09508	1.6
197.13225	12.4
198.13850	1.8
199.10963	3.1
199.14799	77.9
200.15086	2.3
201.12646	5.2
201.16364	18.4
203.14297	26.8
203.17795	5.8
205.15799	5.6
207.11681	2.4
209.13133	5.8
210.13805	1.6
211.11237	1.5
211.14848	10.3
213.12712	2.4
213.16399	9.6
215.14207	5.4
215.18007	6.6
217.15845	11.4
221.13347	1.6
221.15237	7.5
223.14722	5.7
225.16226	5.0
227.17804	6.5
229.15842	9.4
229.19495	2.2
231.17354	5.1
235.14662	1.6
235.16870	2.3
237.16277	4.8
239.17792	5.0
241.19444	2.4
243.17401	3.4
249.16225	3.1
251.17944	3.1
253.15607	1.4
253.19341	5.5
255.17363	2.5
255.20956	2.0
257.18961	2.7
265.15570	1.4
265.19189	2.5
267.20987	3.6
269.18927	1.8
271.20300	2.7
279.21014	3.2
283.20392	3.3
293.18756	1.5
293.22440	2.4
295.20721	1.6
307.24078	2.1
311.19931	2.3
317.22394	1.6
321.25592	1.7
329.21054	11.0
333.25522	1.5
345.25674	2.3
347.21924	2.0
351.22940	2.4
363.26367	3.1
363.30511	2.3
375.30283	7.7
385.23730	2.0
385.28442	3.6
391.29739	4.1
393.31400	2.0
403.24603	8.1
403.29663	29.6
404.30414	2.8
421.25693	12.6
421.30652	89.7
422.26184	1.9
422.31006	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01872	0.4
55.05507	2.1
57.03424	0.7
57.07066	0.5
62.35690	0.4
65.02885	0.4
67.05495	4.2
69.03415	1.4
69.07054	2.8
70.06615	0.4
71.04961	0.8
71.62000	0.5
71.62392	0.4
79.05475	3.0
79.25954	0.3
81.03394	0.6
81.07047	6.7
83.08609	1.2
85.02892	2.6
85.06521	0.4
91.05465	3.9
93.07033	5.9
95.04966	1.2
95.08593	7.8
97.02872	1.0
97.06552	0.8
97.10178	0.7
105.07020	9.5
107.08574	8.1
109.06496	1.1
109.10146	4.3
111.08071	0.8
117.07001	2.4
119.08564	10.5
121.06519	1.0
121.10124	5.7
123.04392	0.6
123.08081	1.0
123.11660	1.7
125.09642	0.4
127.03870	0.9
128.61191	0.4
129.06966	0.9
130.07764	0.6
131.08553	7.5
133.06493	0.6
133.10118	6.9
135.08015	0.8
135.11682	2.4
137.09604	0.8
141.06966	0.5
142.07773	0.9
143.08578	2.5
143.09491	0.4
144.09308	0.4
145.04980	0.4
145.10103	11.3
147.08002	1.0
147.11678	4.5
149.09604	0.9
149.13275	2.6
155.08565	0.5
156.09325	0.8
157.10106	3.9
158.10831	0.9
159.08022	0.6
159.11667	8.4
161.09535	1.1
161.13248	3.3
163.11182	0.8
163.14780	1.7
165.09073	0.8
169.10066	0.9
170.10948	0.7
171.11659	2.9
172.12344	0.4
173.09671	0.4
173.11748	0.8
173.13232	11.1
173.14658	0.7
175.03943	0.5
175.11137	0.9
175.14799	5.3
177.12746	1.1
177.16296	1.8
183.11659	1.4
185.09657	0.4
185.13252	4.1
187.14795	11.9
188.15446	0.4
189.12723	0.9
189.16371	3.0
191.14284	9.8
191.16034	0.5
193.12154	0.4
193.15836	0.4
195.11720	0.5
197.13232	1.0
199.14818	2.8
201.12730	0.6
201.16350	10.7
201.77934	0.3
203.14284	3.3
203.17905	3.2
205.15800	2.1
209.13211	0.6
211.14825	0.6
213.16383	1.4
215.14336	0.6
215.18011	0.6
217.15842	1.9
217.19423	0.5
219.17386	0.7
221.15347	4.5
223.14832	0.5
227.17979	0.7
229.15889	0.5
229.19482	0.8
231.17435	0.7
243.21078	1.2
253.19481	0.9
261.22107	0.9
271.05991	1.2
365.28577	0.5
387.30350	0.9
405.31580	1.9
423.23492	100.0
423.32132	11.6
424.23874	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	423.2735
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03926	7.2
55.01843	4.6
55.05500	26.2
56.96560	6.7
57.03430	13.6
57.07074	4.6
59.71363	2.9
60.84119	2.8
67.05496	100.0
69.03425	24.2
69.07057	22.3
71.04977	9.7
73.02908	4.0
75.06937	2.8
79.05481	51.5
81.03404	34.8
81.07045	81.4
83.04965	8.7
83.08621	14.9
85.02896	7.7
85.06540	4.7
91.05467	47.3
93.07034	74.8
95.04960	14.3
95.08600	64.6
97.02869	9.3
97.06506	6.5
97.10176	6.4
98.20967	14.7
99.04430	4.6
99.08131	3.8
105.06368	4.6
105.07015	52.0
107.04952	5.4
107.08582	53.2
109.06483	8.8
109.10144	54.2
111.04421	10.0
111.08083	9.1
111.11721	4.8
116.06283	2.9
117.06998	27.3
119.08559	45.7
121.06473	9.6
121.10134	37.0
123.08047	6.7
123.11668	8.2
125.09647	6.2
129.05473	6.8
129.06966	13.3
131.08557	39.2
133.06476	6.0
133.10106	30.0
135.08032	4.6
135.11681	25.2
141.06981	3.9
142.07799	5.4
143.08527	16.7
145.06592	3.6
145.10075	41.0
147.08054	4.7
147.11668	26.7
149.09625	6.3
149.13277	21.0
155.08549	7.2
157.10117	14.3
159.11678	27.4
161.09645	7.6
161.13231	13.1
163.11130	5.9
163.14793	9.8
167.08549	4.3
169.10117	6.9
171.11644	10.0
173.11827	5.7
173.13226	19.4
175.11169	4.8
175.14760	9.8
177.12791	3.8
177.16362	3.5
179.14346	5.2
183.11700	6.1
185.13190	10.6
187.11282	4.8
187.14796	39.4
189.16377	5.5
195.13641	3.8
197.13281	4.5
199.11188	3.7
199.14777	10.2
201.16370	10.1
203.14334	4.9
203.18175	4.2
205.15932	4.4
207.13971	3.3
209.13266	3.7
211.14932	4.0
213.16324	5.0
215.14357	3.9
221.13321	3.0
229.15781	4.1
231.17375	5.0
235.17107	3.1
241.19409	5.1
243.21111	4.3
249.18269	2.8
253.19579	3.7
259.20566	11.9
261.22174	16.5
267.20978	4.2
271.20767	3.3
277.21567	7.0
285.22116	4.9
289.21609	4.0
291.23209	5.9
303.19693	3.5
303.23145	14.4
309.22104	4.1
315.23096	7.2
319.22903	4.8
327.22977	4.0
329.14252	6.3
340.01669	3.3
341.68283	3.4
345.24426	4.1
347.15347	27.6
351.23181	6.9
365.16486	27.1
369.24268	26.8
387.25156	24.6
387.30170	5.3
405.26248	38.3
405.31433	11.9
423.27313	54.5
423.32297	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01861	3.5
55.05502	23.9
56.96568	2.3
57.03430	7.2
57.07061	5.7
59.04984	6.8
65.03925	4.9
67.05498	100.0
69.03427	18.0
69.07061	24.7
70.55233	5.9
71.04973	5.1
73.02920	3.3
79.05486	60.1
81.03410	11.9
81.07048	94.1
82.07369	1.9
83.04971	7.6
83.08617	13.3
85.02901	23.6
85.06533	4.1
87.04457	2.2
87.61762	1.5
91.04891	1.5
91.05471	43.0
93.07034	76.6
95.04967	12.9
95.08597	68.6
95.09213	2.0
97.02898	12.9
97.06510	7.5
97.10159	4.2
97.44083	1.5
99.04443	5.8
99.08084	3.2
105.07015	37.3
107.04948	3.1
107.08577	42.5
107.09279	2.8
109.02861	4.5
109.06517	8.6
109.10148	39.8
111.04451	3.8
111.08084	3.6
117.07015	16.2
119.08569	38.1
121.06511	3.0
121.10126	40.8
123.08056	19.6
123.11702	11.0
124.87417	1.5
125.05971	1.6
125.09629	1.9
127.03890	9.5
128.06238	2.2
129.05487	2.9
129.06984	9.9
131.08553	33.4
133.06502	3.5
133.10118	34.0
135.08057	8.0
135.11694	31.3
137.09581	3.6
137.13226	4.8
141.06906	2.6
143.08516	7.8
145.04971	3.8
145.06448	3.0
145.10109	24.3
147.08034	4.4
147.11662	17.8
149.09624	2.4
149.13245	22.5
151.11246	2.3
157.10167	9.6
159.08051	2.6
159.11679	22.9
161.09557	3.6
161.13261	13.1
163.11252	3.7
163.14740	7.4
165.12712	1.9
169.10100	5.1
171.07918	2.3
171.11676	7.8
173.09680	3.1
173.11714	4.5
173.13246	15.8
175.11185	4.5
175.14818	8.3
177.12695	4.7
177.16310	4.4
179.14294	23.9
181.10118	2.8
183.11681	4.5
185.13264	6.9
187.14740	13.0
189.12704	2.5
189.16406	5.4
195.13763	1.8
197.13307	3.9
199.11034	2.1
199.14847	4.4
201.12657	1.9
201.16324	9.1
203.14279	2.9
205.15869	4.9
213.16386	2.5
215.17856	3.3
231.21149	1.8
235.19987	1.7
239.17737	2.0
241.19614	3.1
243.21005	4.5
255.21141	2.1
259.20490	10.1
261.22116	30.6
277.21582	5.5
279.23123	2.9
289.21713	5.4
301.21533	2.4
303.23141	5.4
305.24677	2.5
315.16315	1.8
315.23245	4.3
317.24805	2.4
327.23062	2.7
331.22791	2.0
331.26157	8.2
333.17316	5.5
341.24634	3.9
345.24176	7.4
349.27417	2.8
351.18594	2.0
351.23190	4.2
357.24207	4.1
369.24234	15.2
387.25220	8.6
405.26337	7.5
405.31238	3.1
423.27078	20.9
423.32117	40.0
436.92096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
55.01861	10.1
55.05507	33.3
57.03432	8.5
57.07060	6.6
59.05003	2.6
61.95745	2.7
65.03927	5.5
67.05497	91.1
69.03423	27.8
69.07065	28.8
69.40663	22.1
71.01347	3.5
71.04976	9.7
71.08615	2.9
73.02921	4.1
77.03960	2.0
79.05484	68.9
79.40750	1.9
81.03406	32.1
81.07046	100.0
83.04974	16.9
83.08606	19.8
85.02892	14.0
85.06536	4.4
85.50166	2.0
91.05466	60.1
93.07034	88.8
93.07621	4.6
95.04961	17.1
95.08594	72.1
97.02876	11.7
97.06495	10.7
97.10161	8.4
98.20968	9.0
98.21506	2.1
99.04449	10.3
99.08083	5.7
103.03902	3.2
105.07011	58.4
107.04939	4.5
107.08582	48.4
109.02877	3.1
109.06496	12.6
109.10143	45.1
111.04427	9.3
111.08060	7.1
112.82451	2.5
113.10535	2.2
115.05501	2.9
117.07001	28.8
119.08566	60.8
121.06492	7.0
121.10139	44.7
123.04443	3.6
123.07293	2.4
123.08012	12.8
123.11700	14.9
125.09617	8.3
127.03900	5.2
128.06241	4.0
129.05513	4.5
129.06995	14.6
131.08542	42.7
133.06520	6.2
133.10117	37.5
135.08069	10.2
135.11674	33.5
137.05998	2.8
137.09628	8.6
137.13266	3.6
139.11131	5.3
141.07027	5.0
142.07777	4.3
143.08531	17.2
144.96906	2.2
145.06493	6.1
145.10097	38.0
145.51155	2.3
147.08009	3.9
147.11659	31.5
149.05940	2.7
149.09573	4.6
149.13242	22.4
151.11099	2.7
153.09100	4.3
154.07800	2.5
155.08528	8.8
157.10068	17.5
159.08026	5.5
159.11664	31.8
161.09636	6.6
161.13249	22.2
163.11185	5.5
163.14793	10.6
165.09076	2.9
165.12773	3.1
165.40965	2.7
167.08556	4.3
169.10088	8.4
171.08095	3.1
171.11658	17.1
173.09615	5.0
173.11728	4.2
173.13222	25.1
175.11157	4.7
175.14757	12.5
177.12764	4.3
177.16304	2.9
179.14313	13.5
181.10092	2.9
183.11720	6.7
185.09604	3.7
185.13231	15.3
187.11095	4.4
187.14769	17.9
189.12784	5.0
189.16429	7.7
191.10611	2.3
191.14474	2.8
195.11755	6.3
195.13770	3.2
196.12488	2.5
197.13255	5.3
199.11263	2.5
199.14842	10.2
201.12769	6.1
201.16415	8.4
203.14380	4.4
205.15981	4.7
209.13356	3.9
209.15393	2.3
211.14845	2.9
213.12752	5.7
213.16356	4.5
215.17996	5.2
217.15938	3.2
221.15263	3.1
223.14796	4.8
225.16391	3.2
227.18024	3.1
229.19569	2.4
231.20952	2.6
241.19594	7.9
243.21037	6.7
249.14873	3.0
255.21114	3.0
259.20547	12.1
261.22052	22.3
271.20486	6.1
273.22061	7.6
275.23804	2.8
277.14160	3.6
277.21594	7.2
285.22141	5.0
289.21729	8.7
291.19504	7.6
291.23163	9.2
301.21585	3.8
303.23254	13.4
313.21625	3.4
315.23236	6.5
315.80939	2.8
319.22610	4.1
327.23105	3.1
331.26263	4.3
341.24643	3.8
351.23141	6.2
357.24338	3.1
369.24200	26.1
387.25266	27.9
398.48984	2.6
402.53983	2.3
405.26379	37.6
405.31497	4.9
423.27347	34.4
423.32016	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
55.01882	1.6
55.05504	23.8
55.46971	1.7
57.03424	4.7
57.07051	5.6
59.05003	3.4
62.07014	1.6
65.03928	5.5
67.05496	100.0
69.03424	11.0
69.07059	23.2
70.74743	5.9
71.04976	6.7
71.08601	1.8
73.02900	1.8
73.64592	1.4
79.05480	45.1
81.03396	7.6
81.07047	86.7
83.04963	7.7
83.08601	16.6
85.02892	12.1
85.06526	3.7
91.05472	33.0
93.07031	60.8
95.04970	9.0
95.08597	75.7
97.02868	2.7
97.06536	7.9
97.10143	6.6
99.04443	2.5
99.08066	4.8
105.06364	3.0
105.07018	39.7
107.08582	57.8
109.02817	2.9
109.06531	10.7
109.10144	75.5
111.04449	3.2
111.08065	7.0
113.02406	1.7
115.05450	1.9
117.06998	13.4
119.08565	43.4
120.08825	1.5
121.06474	4.4
121.09300	3.1
121.10133	50.9
123.08063	10.7
123.11697	21.3
125.09658	2.1
129.07016	4.8
130.07822	1.8
131.08569	24.0
133.06483	2.9
133.10121	45.4
135.08061	8.2
135.11676	25.9
137.09573	4.7
137.13248	9.9
142.07693	2.7
143.08569	9.5
145.04987	2.4
145.10106	27.6
147.08051	3.0
147.11650	23.2
149.13246	23.6
151.11151	3.3
155.08614	4.1
156.09262	2.3
157.10025	8.6
158.10876	2.0
159.11684	26.8
161.09563	1.8
161.13216	15.5
163.11151	3.1
163.14793	9.5
165.12727	2.4
169.10098	6.0
171.11696	8.9
173.11720	10.2
173.13245	17.2
175.11156	1.9
175.14772	11.2
177.12718	4.6
177.16371	5.7
179.14316	10.0
181.10185	1.9
183.11639	5.9
185.13170	8.5
187.11208	2.0
187.14780	20.1
189.12752	2.8
189.16357	8.4
191.14267	4.2
191.17946	2.7
195.11707	3.2
195.13773	4.8
197.13278	4.7
199.14746	8.7
200.15112	1.6
201.12741	2.2
201.16373	11.0
203.17915	7.3
205.15866	6.8
209.13162	2.9
211.14835	4.8
213.16341	4.3
215.17883	5.8
217.19533	2.1
225.16266	2.9
227.17998	2.6
229.19464	3.6
233.18976	3.1
233.22566	1.6
237.16344	2.8
241.19479	5.6
243.21046	4.1
253.19458	4.4
255.20938	3.2
259.20572	4.7
261.22156	15.1
269.22516	2.2
275.92078	1.8
277.21649	3.4
283.24045	2.2
285.22226	3.1
289.21655	2.3
294.23227	2.0
295.24158	2.5
299.20261	1.9
303.23190	4.4
303.26541	2.1
315.23294	3.8
327.22925	3.1
327.30029	1.9
331.26279	4.5
345.24155	2.3
351.23129	2.8
369.24146	6.9
387.25189	7.9
387.30060	3.1
404.66922	2.0
405.26218	6.0
405.31271	8.5
405.35214	7.5
423.27325	49.1
423.31967	22.6
423.36270	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
53.63097	0.4
55.01855	0.6
55.05503	3.9
57.03437	2.1
57.07067	3.4
59.04994	0.5
67.05497	10.3
69.03410	0.4
69.06730	0.4
69.07059	6.0
70.23423	1.4
71.04960	1.2
71.08621	3.2
79.05481	5.2
81.07046	13.6
83.04948	1.0
83.08589	2.5
85.06528	2.2
91.05463	3.9
91.54553	0.3
93.07034	8.3
95.04923	1.4
95.08597	10.9
97.02878	0.4
97.06493	1.5
97.10152	0.8
98.21121	0.8
99.08075	2.0
105.07016	5.4
107.08579	7.3
109.06503	14.8
109.09447	0.5
109.10143	7.6
111.08051	1.7
117.07014	0.9
119.08559	6.3
121.06478	0.4
121.10130	5.1
122.07241	1.0
123.08049	23.7
123.11688	2.4
124.08336	0.5
125.09566	0.4
131.08531	2.6
133.10115	4.9
135.08047	5.9
135.11676	2.7
137.09560	1.3
137.13203	1.2
143.08533	0.7
145.10074	3.0
147.11676	2.9
149.09621	1.6
149.13219	2.4
151.11139	0.6
151.14783	0.4
157.10126	1.0
159.11670	3.1
161.09563	0.5
161.13206	1.6
163.11198	0.6
163.14786	1.0
165.12691	1.5
167.14223	1.1
169.10121	0.7
171.11620	0.8
173.11711	1.1
173.13222	1.8
175.11157	0.5
175.14796	1.4
175.24957	0.4
177.12723	1.4
177.16351	0.9
179.14285	68.8
180.14619	1.8
183.11549	0.7
185.13223	1.0
187.14714	1.2
187.54172	0.3
189.16350	1.4
191.14272	1.0
191.17961	0.7
193.15846	2.5
197.13118	0.4
199.14784	0.8
201.16299	1.1
203.17957	0.7
205.15913	3.2
211.14778	0.4
215.17841	1.0
217.19455	0.4
219.17404	0.6
233.18939	1.0
247.20470	0.5
255.20909	0.4
269.22891	0.4
275.20102	1.4
289.25412	0.4
293.21033	1.0
303.26630	1.7
313.25223	0.6
331.26266	25.7
332.26645	1.1
349.27335	5.0
367.24539	0.7
405.30414	1.7
405.35446	0.5
423.31070	100.0
424.31442	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49784	0.5
55.01862	1.1
55.05295	0.5
55.05503	6.3
57.03425	2.2
57.07061	1.4
67.05499	7.7
67.78817	0.6
69.03390	0.7
69.07055	9.0
70.70416	0.5
71.04980	1.5
71.08593	1.0
71.54088	0.9
79.05470	4.7
81.07046	13.4
83.04961	1.4
83.08598	3.6
85.06532	1.5
91.05460	3.3
93.07024	8.0
95.04936	1.1
95.08591	13.5
97.06513	2.2
97.10165	1.3
99.08069	0.8
105.07013	5.7
107.08579	9.0
109.06495	7.1
109.10148	7.0
111.08057	1.8
117.07024	0.9
119.08551	6.7
121.06485	1.0
121.10125	6.2
123.08049	43.7
123.11674	3.1
124.08361	0.7
125.09657	0.8
131.08534	2.7
133.10121	5.3
134.22308	0.5
135.08031	7.1
135.11705	2.9
137.09622	3.8
137.13231	1.2
143.08569	0.6
145.10109	4.6
147.11668	4.0
149.09602	2.1
149.13222	3.1
151.11115	0.7
157.10112	1.3
159.11678	4.9
161.13251	2.3
163.11179	0.9
163.14830	1.2
165.12762	0.9
166.78809	0.5
171.11716	1.0
173.13258	2.4
175.14809	2.0
177.12729	4.2
177.16373	0.9
179.14275	13.0
185.13246	1.3
186.64528	0.6
187.14891	0.7
189.16347	0.8
191.14206	0.7
197.13428	0.5
199.14876	0.7
201.16402	1.7
203.17926	0.7
205.15834	0.8
211.14948	0.6
213.16470	1.0
215.17897	0.6
227.17824	0.6
229.19499	1.3
233.18919	0.8
243.21034	0.7
247.20645	1.3
255.89130	0.6
263.20169	1.6
274.20755	0.6
275.19998	4.0
289.25412	0.9
293.20898	3.5
303.26633	3.5
307.22290	0.7
313.25269	1.4
331.26263	24.3
332.26486	1.3
338.81430	0.5
349.27322	7.2
367.24838	1.8
369.23233	0.7
405.30322	1.9
405.35318	0.8
423.31021	100.0
423.35794	5.0
424.31271	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
55.05503	7.4
56.96542	1.0
57.03439	1.3
57.06807	0.7
57.07067	4.4
62.22034	0.7
65.03921	1.1
67.05495	22.5
69.03410	1.1
69.06718	0.8
69.07063	9.9
71.04974	2.6
71.08619	3.5
71.62291	0.9
74.63211	0.8
79.05483	8.9
81.03439	1.1
81.07043	22.1
83.04972	2.1
83.08609	3.8
85.06517	2.4
91.05465	7.6
93.07027	13.8
95.04967	2.0
95.08595	18.2
97.02883	1.0
97.06528	2.4
97.10176	1.4
98.21056	0.7
99.04429	0.9
99.08083	3.0
101.64492	0.8
103.27803	0.7
105.07020	8.9
107.08581	15.3
109.06503	14.8
109.10146	15.2
111.08082	2.2
111.11717	0.9
117.07003	2.4
119.08563	12.1
121.06486	1.0
121.10126	12.0
122.07256	0.9
123.08054	31.6
123.11713	2.9
127.53998	0.8
131.08586	4.3
133.10114	9.5
135.08031	7.4
135.11655	6.5
136.49881	0.8
137.09639	2.7
137.13225	2.3
143.08540	2.2
145.10074	6.9
147.11650	6.0
149.09634	2.6
149.13269	4.9
151.11110	1.1
156.27757	1.0
157.10146	2.0
157.46440	0.9
158.10898	1.3
159.11668	7.5
161.13240	4.4
162.13579	0.8
163.14854	2.9
169.10103	0.9
171.11685	2.3
173.11760	2.4
173.13278	4.1
175.14815	2.5
177.12798	2.2
177.16354	2.3
179.14287	61.3
180.14661	1.5
183.11710	1.6
185.13318	1.5
187.14786	5.1
189.16328	3.8
191.14323	1.9
191.17944	2.1
193.15887	2.6
197.13326	1.1
199.14856	1.6
201.16403	3.7
203.17963	3.1
205.15877	2.8
207.17403	0.9
213.16417	1.1
215.17963	2.7
224.72395	0.9
229.19571	1.7
233.18997	1.5
239.17937	1.2
255.17004	0.9
255.21249	1.1
263.20068	1.2
275.20157	1.8
293.20871	0.9
303.26828	2.5
331.26273	27.2
332.26578	0.9
349.27322	4.1
367.25119	1.0
405.34979	3.8
423.31152	100.0
423.36221	12.2
424.31506	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	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.05502	8.6
57.03425	1.4
57.07058	3.4
59.04974	1.1
65.03934	1.8
67.05157	1.7
67.05493	21.5
67.22466	1.0
69.03406	1.6
69.07052	12.4
70.06561	4.6
70.95910	3.4
71.08607	1.7
71.34405	1.0
79.05481	13.2
81.07042	29.5
83.04972	1.5
83.08611	4.4
88.07611	4.5
89.56258	1.2
90.11502	1.0
91.05464	18.4
92.21959	1.0
93.07024	28.4
95.04955	3.2
95.08594	44.7
97.06524	5.7
97.10133	1.4
99.04469	1.1
102.09154	4.4
103.05437	1.4
103.09500	1.6
105.07013	68.1
107.07854	2.7
107.08581	45.5
109.06489	4.7
109.10142	23.5
111.08076	1.9
117.06989	10.0
119.08561	77.0
120.08884	1.4
121.06500	5.7
121.10123	30.4
123.08026	4.4
123.11673	6.7
128.06201	3.1
129.06987	6.2
130.07797	2.9
131.08548	60.5
133.09113	2.4
133.10112	35.7
135.08058	4.7
135.11649	11.0
137.09569	3.5
137.13196	1.1
141.06853	1.2
142.07739	3.5
143.08543	16.3
144.09296	3.7
145.10103	71.9
146.10811	1.3
147.08028	2.8
147.11674	26.0
149.02324	19.9
149.09595	5.3
149.13229	26.7
150.02654	11.0
155.08507	1.7
156.09308	3.4
157.10120	15.9
158.10904	5.8
159.11670	56.2
160.12137	2.3
161.09581	5.4
161.13235	20.4
163.11165	4.4
163.14787	17.8
167.10690	2.3
169.10078	2.4
170.10892	3.5
171.11632	12.2
172.12413	1.7
173.11922	3.2
173.13231	83.6
174.13660	1.8
175.11180	4.0
175.14792	34.7
176.11975	1.8
177.12695	4.3
177.16357	11.5
183.11632	3.9
185.13248	15.9
187.14792	78.9
188.15172	2.1
189.12680	5.2
189.16359	17.1
191.14275	100.0
192.14581	3.1
193.04951	21.0
193.07668	1.5
193.12155	1.4
193.15842	2.9
194.05276	14.6
195.13741	1.3
197.13158	2.5
199.14795	11.2
201.16351	90.7
202.16652	2.7
203.14301	24.0
203.17928	16.7
205.15753	5.6
211.14838	3.4
213.16348	5.9
215.14343	2.8
215.17917	5.0
217.15840	2.4
217.19519	3.2
221.15332	48.2
223.14763	2.3
223.16811	2.3
225.16351	1.7
227.17886	3.3
229.15785	2.0
229.19516	3.6
231.17339	3.2
233.15181	1.8
239.17979	2.8
241.19492	1.6
247.16866	2.5
249.18547	1.7
253.19411	1.7
255.20978	2.3
256.26324	5.1
257.26645	12.5
281.22260	1.5
365.28418	2.3
387.30368	2.8
393.31412	3.0
405.31363	11.3
423.28165	23.0
423.32410	61.7
424.28152	1.5
424.33167	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21468	0.8
53.03933	1.6
55.05501	7.1
57.03431	1.2
57.07060	2.8
59.04996	0.9
61.69955	0.8
65.03938	1.8
67.05498	22.7
69.03417	1.6
69.07054	13.0
69.60113	6.5
71.04988	1.9
77.03888	0.7
79.05488	16.3
81.07047	34.7
83.04970	2.6
83.08620	6.5
84.13948	0.7
85.06518	1.0
88.07639	0.9
90.49376	0.8
91.05463	15.3
91.05992	1.2
93.07030	31.5
95.04941	5.0
95.08594	48.7
96.08934	1.0
97.06519	6.4
97.10149	2.8
99.04433	0.9
99.08093	0.8
103.05504	1.0
105.07016	36.6
105.33947	0.8
106.07336	1.0
107.04996	1.1
107.08582	45.0
109.06518	4.9
109.10142	26.6
110.10508	0.7
111.08092	3.6
115.05423	1.1
116.06312	0.8
117.07015	9.9
119.08566	62.8
120.08909	1.1
121.06520	5.0
121.10130	29.0
123.08075	8.0
123.11686	7.4
125.09637	2.6
125.47174	0.9
128.06229	1.5
129.06993	5.0
130.07800	2.4
131.08553	34.3
133.06564	1.6
133.10112	27.3
135.08018	5.7
135.11684	9.2
137.09601	5.2
137.13287	2.3
141.06966	1.1
142.07828	2.7
143.08543	15.6
144.09328	2.8
145.10103	71.2
146.10527	1.6
147.08038	2.6
147.11674	17.9
147.12775	1.4
148.12038	0.9
149.02356	2.7
149.09631	3.6
149.13248	18.1
149.14343	1.2
150.02652	1.5
151.07617	0.9
151.11234	1.7
152.57114	0.8
153.09067	1.9
155.08568	3.0
156.09325	3.8
157.10110	18.4
158.10889	3.6
159.08080	1.3
159.11671	34.8
161.09613	4.7
161.13229	14.4
163.11142	5.5
163.14807	13.9
165.12782	1.9
165.51654	0.7
167.10664	2.0
169.10068	7.4
170.10915	3.2
171.11671	16.3
172.12488	2.7
173.09598	1.9
173.11826	1.7
173.13231	27.0
175.11159	4.2
175.14801	21.6
177.12785	3.3
177.16368	10.4
179.14357	2.2
180.09158	0.9
181.10130	2.0
181.12289	0.9
182.10951	1.0
183.11676	8.1
185.13242	13.1
187.11382	2.3
187.14799	100.0
188.15218	3.4
189.12743	3.9
189.16342	10.4
191.14285	4.6
191.17886	1.2
193.04984	3.0
193.12202	1.8
193.15840	1.9
194.05334	1.9
195.11720	2.8
195.13765	1.3
197.13228	4.1
199.14798	11.7
201.12680	1.7
201.16360	45.9
202.16759	1.1
203.14313	6.8
203.17928	11.4
205.15800	6.2
205.19717	1.1
207.13858	1.3
207.17445	1.3
209.13306	2.9
211.14813	4.8
213.12794	1.5
213.16379	15.3
215.14421	3.1
215.17903	10.3
217.15918	2.3
217.19542	3.2
219.13826	1.2
219.17558	1.5
221.13338	1.4
221.15327	6.8
223.14847	3.4
223.16811	1.5
225.16373	5.8
227.14403	1.8
227.17923	7.1
229.15903	3.5
229.19437	4.2
231.13818	1.0
231.17505	5.9
233.15466	2.6
235.14758	2.1
237.16461	2.3
239.17889	5.2
241.19557	2.6
243.17462	1.2
243.21104	2.0
245.15468	1.0
247.16977	2.2
249.18626	3.8
251.17943	1.8
253.19633	1.8
255.17500	1.2
255.20975	4.3
257.19092	1.3
257.22794	0.8
257.26736	2.0
265.19482	1.6
267.21133	3.4
269.22641	2.2
273.18402	1.5
275.20303	2.3
277.19516	0.9
279.21048	1.6
281.19391	1.0
281.22681	2.6
291.21207	1.8
293.22534	1.3
297.22260	1.4
299.20050	1.1
305.22336	1.0
309.22180	2.8
309.25488	1.4
317.22647	1.3
321.25897	2.2
327.23074	15.3
327.26474	1.1
333.25696	1.0
335.23740	2.1
347.27191	1.7
353.24841	3.0
363.30508	1.0
365.28333	7.9
377.32156	2.1
387.30377	6.7
393.31546	3.6
405.31415	19.5
406.31683	1.3
423.28479	5.3
423.32654	82.1
424.33090	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	423.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05504	8.2
57.03438	1.5
57.07050	1.9
59.04956	1.2
65.03941	1.1
67.05494	13.1
69.03410	4.3
69.07063	10.9
70.32375	5.2
71.04983	1.8
76.12623	1.0
79.05482	12.3
81.03424	1.2
81.07049	27.0
83.04964	2.5
83.08607	6.9
85.06538	1.3
89.58576	1.0
91.05466	16.3
93.07034	28.2
95.04978	5.3
95.08595	44.2
96.05254	1.3
97.02844	1.3
97.06523	4.0
97.10175	3.4
99.08060	1.5
103.05486	1.6
105.07015	43.9
107.08582	43.0
109.06482	4.0
109.10143	19.6
111.08058	4.2
117.06980	8.0
119.08569	62.2
121.06508	5.4
121.10126	26.3
123.04417	1.3
123.08060	5.1
123.11689	6.8
125.09602	6.2
126.41804	1.1
129.06989	5.4
130.07805	2.4
131.08549	35.4
133.10112	32.5
133.11064	2.3
135.08023	6.3
135.11681	14.9
137.09610	3.6
137.13245	1.9
141.06987	1.3
142.07755	2.5
143.08551	11.2
144.09325	2.2
145.10104	56.9
146.10597	1.3
147.08115	1.5
147.11674	23.4
149.09595	5.6
149.13214	11.0
151.11145	3.8
153.09085	1.1
155.08589	2.9
156.09312	4.1
157.10118	20.3
158.10892	4.2
159.08102	1.7
159.11671	38.2
161.09554	5.7
161.13240	17.1
163.11165	5.7
163.14786	13.3
165.12814	2.4
168.09410	1.3
169.10085	6.4
170.10918	3.0
171.11685	16.9
172.12413	2.6
173.09697	1.2
173.13240	41.8
175.11177	6.8
175.14774	17.4
176.11957	1.4
177.12737	4.7
177.16371	10.0
178.16653	1.0
179.14345	2.2
182.10970	1.6
183.11659	7.7
185.13254	16.3
187.11163	2.6
187.14801	64.1
189.12779	5.6
189.16351	16.3
191.14290	41.4
191.17982	2.3
193.15933	2.1
195.11635	2.2
197.13219	4.3
199.11150	1.4
199.14798	16.8
201.12700	3.4
201.16359	58.1
202.16713	2.6
203.14281	14.6
203.17926	9.1
205.15834	19.2
207.13751	1.1
209.13208	1.9
211.14865	4.8
213.16339	11.8
215.14307	3.2
215.17924	6.7
217.15967	8.0
219.17397	6.6
221.15344	15.8
223.14763	2.4
223.16820	1.4
225.16342	2.2
227.17926	5.5
229.15845	1.8
229.19460	2.5
231.17442	6.4
233.18869	1.2
237.16315	2.3
239.17914	3.8
241.19470	4.6
245.18954	2.1
247.16890	1.4
251.17966	1.3
253.19489	2.7
255.21120	3.6
257.19092	1.3
267.20972	2.5
269.22635	1.4
271.06232	2.1
277.19363	1.7
281.22650	2.2
285.22244	1.4
291.20944	1.4
293.22665	1.6
299.23941	1.4
311.23764	2.2
335.23657	1.9
345.25790	1.3
349.25583	1.3
351.26648	1.5
365.28391	2.4
375.30252	1.8
377.32001	2.4
387.30447	7.1
393.31421	4.3
393.70416	1.1
395.33228	1.8
405.26456	1.9
405.31549	25.7
406.31863	1.5
423.23694	45.3
423.32523	100.0
424.23959	5.2
424.32758	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	423.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87511	1.2
53.03952	2.0
55.01854	1.4
55.05502	11.6
57.07068	3.1
62.38721	1.0
67.05492	15.5
69.03408	1.9
69.07059	13.3
69.58350	9.3
71.04979	1.9
79.05486	16.5
81.07050	36.1
82.99368	1.1
83.04953	1.4
83.08595	5.0
85.02882	1.3
85.06525	2.7
91.04945	2.3
91.05470	24.3
93.06455	2.5
93.07032	40.4
94.07375	1.4
95.04966	7.0
95.08598	56.6
97.06519	6.6
97.10136	2.2
99.08076	4.6
105.07017	70.4
106.07344	2.0
107.04955	1.7
107.08582	52.5
109.06496	5.6
109.10139	21.6
111.08080	2.5
115.05430	2.5
117.06998	11.0
119.08567	99.7
121.06493	5.0
121.10133	35.8
123.08071	8.6
123.11696	8.6
125.09663	2.7
128.06200	2.3
129.06963	5.8
130.07755	3.2
131.08554	76.4
133.10117	43.2
135.08040	8.1
135.11682	11.3
137.09630	3.5
137.13278	2.0
142.07722	5.9
143.08549	18.9
144.09319	4.8
145.10101	81.6
146.10513	1.6
147.08090	3.7
147.11673	30.8
147.12775	2.3
149.09636	4.8
149.13228	17.2
151.14807	1.2
153.09084	2.1
155.08585	2.2
156.09299	6.0
157.10106	24.1
158.10867	8.3
159.08011	1.7
159.11681	57.8
161.09618	8.1
161.13226	23.4
163.11179	5.3
163.14796	17.2
165.09131	1.8
165.12740	2.4
167.07043	1.4
169.10114	3.7
170.10878	4.9
171.11658	15.2
172.12376	2.4
173.13246	92.9
174.13695	1.7
175.11208	4.8
175.14809	38.6
176.11932	2.9
177.12787	4.8
177.16379	10.8
181.10130	1.8
182.10861	2.5
183.11678	9.7
184.12450	1.8
185.13255	26.0
187.11224	3.4
187.14799	100.0
188.15102	2.9
189.12747	5.3
189.16351	17.9
191.14285	93.3
192.14655	2.3
193.12163	1.4
193.15909	4.9
195.11746	2.3
197.13245	6.0
199.14789	14.9
201.16362	94.5
202.16736	2.5
203.14285	27.9
203.17908	12.3
205.15878	11.1
209.13312	1.4
211.14742	5.6
213.12595	1.7
213.16357	12.4
215.14421	2.5
215.17929	7.8
217.15916	4.1
217.19577	3.3
221.15344	51.1
223.14845	2.6
223.17023	3.2
225.16472	3.1
227.17871	6.6
229.15889	4.0
229.19516	4.8
231.17329	2.4
233.15390	1.6
235.16908	1.8
237.16325	1.7
239.17896	2.1
241.19540	5.3
243.17467	2.2
243.21059	1.9
247.17012	1.6
251.17888	2.4
253.19469	2.2
255.21072	3.8
257.18964	2.0
263.17786	1.4
265.19635	1.3
269.22537	1.7
271.24063	1.3
277.19611	1.3
279.21155	1.8
283.20609	1.9
293.22803	1.4
295.20590	1.4
307.24252	1.6
311.23993	1.4
321.25583	1.3
351.26883	2.2
365.28369	4.8
375.30435	2.1
377.32114	1.6
387.30444	5.5
393.31317	3.9
405.31436	24.3
406.31866	1.6
423.32559	93.8
424.33176	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05499	10.5
55.24115	1.3
57.03407	1.7
57.07058	2.9
57.42502	1.2
61.24803	1.5
67.05157	1.9
67.05492	19.7
69.07058	17.8
70.42436	2.4
70.42811	2.5
71.04977	1.4
79.05479	15.6
81.06570	2.0
81.07047	35.4
83.04970	3.5
83.08609	5.0
89.65530	1.2
91.05460	20.8
93.07031	31.3
95.04955	6.7
95.08595	53.9
96.94916	1.4
97.06522	5.0
97.10136	2.2
99.08076	4.6
99.40461	1.3
100.11227	1.9
105.07016	71.3
107.08583	51.7
109.06507	6.1
109.10138	22.9
109.56129	1.4
111.08065	2.7
114.77304	1.4
115.05463	3.7
117.06991	12.1
117.55103	1.4
119.08566	80.8
121.06501	5.0
121.10126	28.6
123.08057	4.0
123.11684	5.6
125.09592	2.1
128.06163	3.0
129.06969	5.8
130.07784	3.5
131.08549	72.4
133.10117	37.0
133.97469	1.4
135.08040	4.6
135.11674	12.9
137.09586	2.3
137.13316	1.6
140.52347	1.4
141.07027	1.7
142.07732	4.4
143.08524	14.6
144.09315	5.5
145.10104	79.2
147.07994	4.0
147.11662	24.9
147.86072	1.5
149.09599	4.2
149.13229	20.7
154.58797	1.6
155.08533	3.8
156.09338	3.9
157.10117	19.2
158.10872	9.9
159.11676	52.0
160.12263	2.7
161.09608	3.6
161.13242	21.1
163.11130	4.6
163.14798	18.9
169.10091	4.0
170.10875	4.7
171.11681	13.1
172.12399	2.8
173.13240	100.0
174.13686	2.9
175.11191	4.9
175.14819	37.1
176.11946	2.6
177.12685	5.7
177.16360	10.9
183.11670	7.1
185.13240	20.4
186.27370	1.6
187.14798	96.5
188.15187	4.0
189.12717	3.5
189.16362	19.7
191.14279	88.0
192.14624	2.2
193.15865	3.2
195.11690	2.2
197.13319	4.3
199.14787	14.8
200.15193	1.9
201.16353	74.9
202.16553	2.5
203.14287	31.9
203.17970	14.9
205.15895	4.7
207.13875	2.3
211.14830	4.2
213.16426	7.9
215.14407	1.8
215.17902	6.1
217.15871	2.9
217.19429	3.7
221.13437	2.2
221.15349	60.3
223.14882	1.9
225.16298	2.9
227.17915	6.2
229.15887	2.7
229.19511	4.7
231.17409	3.2
233.15462	1.6
239.17924	3.5
241.19586	4.0
243.21266	1.7
247.16974	3.5
251.17839	1.4
253.19501	1.8
255.21158	3.0
273.18619	1.6
283.20612	2.1
365.28351	3.1
387.30414	6.7
393.31580	2.5
395.33157	1.5
405.31537	16.5
423.32523	94.7
424.32968	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3616
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03939	1.0
54.81649	1.1
55.05505	8.8
57.07061	2.0
65.03940	0.9
67.05495	19.5
69.07059	18.0
69.33234	9.7
70.07353	1.1
71.04969	1.9
71.08598	1.0
79.05480	8.4
81.07053	26.6
83.04972	1.2
83.08600	7.7
85.06509	1.8
88.39326	1.0
91.05476	9.7
93.07034	19.0
94.04748	1.1
95.04947	3.3
95.08596	46.9
96.45945	0.8
97.06509	2.5
97.10150	3.5
99.08106	1.4
105.07016	16.7
107.04926	1.1
107.08576	28.2
107.09277	2.1
109.06480	2.2
109.10145	27.8
111.08073	3.2
111.11742	4.1
113.09665	1.2
117.06997	3.3
119.07690	1.1
119.08568	23.0
121.10127	24.8
121.11003	1.3
123.08073	3.8
123.11683	13.8
125.09605	1.7
129.06998	1.5
131.08545	8.2
133.10117	20.5
135.08066	1.5
135.11661	17.0
137.09604	2.7
137.13268	7.1
139.11203	1.4
143.08546	3.0
144.09221	1.1
145.10123	13.7
147.11673	16.9
148.12038	1.4
149.09605	1.4
149.13240	8.6
151.14838	1.5
157.10144	5.7
159.11685	14.8
160.12222	1.3
161.09598	1.1
161.13243	11.4
163.11157	1.2
163.14804	6.0
169.10176	1.6
171.11671	5.2
173.11774	1.8
173.13210	10.8
175.14841	9.3
177.16367	5.8
179.14296	2.3
183.11646	2.7
185.13187	5.1
187.11348	1.3
187.14798	9.9
189.16371	10.0
191.17923	17.3
193.15915	1.6
197.13310	3.3
199.14857	4.2
201.16385	8.7
203.17921	21.0
205.15814	2.3
205.19518	4.1
211.14896	2.1
213.16354	3.5
215.17892	8.6
217.15863	1.6
217.19574	3.9
219.17432	3.5
225.16374	1.7
227.17937	3.2
229.19409	5.6
231.17464	3.2
231.21080	2.0
233.18977	10.1
239.17967	1.5
241.19554	3.3
243.17479	1.9
243.21127	5.9
253.19505	3.8
255.21036	9.5
257.19016	2.0
257.22714	1.8
259.20538	3.1
267.21039	2.5
269.22650	3.9
271.20584	2.8
273.22253	2.3
281.22702	4.0
283.24124	3.9
285.22180	2.8
295.24249	1.5
307.24191	1.3
309.25662	1.5
313.25314	1.3
321.25891	1.0
335.27261	1.7
339.26733	1.3
349.28979	1.3
374.35538	1.2
395.37079	1.9
405.26974	7.1
405.35190	35.6
406.35498	3.3
423.27185	5.7
423.36279	100.0
424.27689	1.3
424.36652	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	423.3616
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.03934	1.2
52.02146	1.2
52.02426	1.1
53.03931	2.5
55.05505	15.4
57.03423	1.6
57.07066	7.2
65.03925	2.1
67.05494	45.3
69.06712	1.9
69.07056	25.1
71.04964	2.8
71.08619	3.1
71.62361	2.4
72.99686	1.3
79.05489	21.6
81.07047	68.6
83.04939	2.6
83.08607	12.9
85.06512	5.1
91.05467	20.8
93.06464	2.5
93.07034	45.3
93.07612	2.3
95.04955	5.3
95.08594	100.0
96.08928	2.5
97.06504	3.7
97.10151	5.3
99.08102	2.2
105.07017	35.4
107.08581	91.3
108.08902	2.3
109.06508	28.7
109.10141	76.2
110.10463	1.7
111.08067	3.3
111.11703	3.9
117.07004	4.3
119.08562	47.6
121.10128	96.4
122.10457	1.5
123.08051	12.0
123.11689	42.5
125.09598	1.8
129.06996	2.2
131.08548	14.8
133.10114	76.6
134.10410	2.7
134.14095	1.4
135.07988	3.3
135.11678	39.9
137.09612	4.3
137.13237	17.4
139.11169	2.9
143.08545	8.5
145.10098	24.3
147.08061	1.3
147.11656	33.9
147.16353	1.4
149.09555	3.0
149.13242	36.9
150.13577	2.3
151.14796	3.6
153.12682	1.2
155.08598	1.9
156.09276	2.6
157.10118	10.3
158.10875	2.6
159.11671	26.6
161.09601	1.3
161.13229	19.7
163.11160	1.8
163.14793	20.5
165.12758	2.3
165.16307	3.3
167.14346	1.6
169.10083	2.0
170.10883	2.0
171.11644	11.1
172.12320	1.4
173.11823	2.1
173.13231	23.5
175.11314	2.1
175.14824	19.2
177.12677	2.6
177.16339	10.7
179.14250	17.3
183.11591	6.4
184.12325	1.8
185.13249	10.4
186.12445	1.4
187.14821	18.8
189.16342	17.9
189.17903	2.5
191.14273	9.4
191.17915	8.6
193.15823	1.6
195.13885	1.5
197.13243	4.5
199.14830	7.2
201.16365	11.4
203.14270	2.0
203.17932	12.1
205.19453	2.4
211.14713	2.4
213.16313	5.7
214.62326	1.7
215.17981	9.6
217.15787	2.7
217.19385	6.4
221.19083	1.9
225.16377	2.7
227.17891	4.6
229.19556	7.1
231.17528	1.7
233.18990	2.0
233.22560	1.8
239.17984	2.6
241.19551	8.2
243.17221	2.0
243.21022	8.0
245.18965	2.1
245.22581	2.5
253.19360	7.4
255.21057	13.0
257.22623	3.9
259.20566	4.6
259.24167	5.3
267.21039	5.2
269.22586	8.6
271.20544	2.4
271.24149	1.3
273.22092	2.6
281.22592	3.2
283.24213	3.6
285.22055	4.1
285.25720	4.3
287.23599	1.4
295.24075	2.9
297.25745	4.6
299.23721	3.2
303.26785	1.7
305.22598	1.7
311.27252	2.1
323.27051	2.9
325.40030	1.2
327.26709	1.7
331.26239	6.1
335.26996	4.0
341.28476	1.5
349.28391	4.1
352.78189	1.3
363.30518	2.0
367.29654	1.6
381.31543	1.5
395.36792	2.3
405.35312	40.0
406.35516	3.0
406.41000	1.3
423.26990	4.1
423.31345	25.3
423.36145	90.5
424.31549	1.9
424.36682	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	423.3616
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03935	0.7
55.05502	12.2
57.03421	0.9
57.07065	5.1
65.03930	1.6
66.92532	0.7
67.05497	24.2
69.07061	26.6
71.04973	1.8
71.08617	2.7
71.34809	1.1
72.28368	0.6
77.35274	0.6
78.58908	0.6
79.05482	11.4
79.69827	0.7
80.49725	0.7
81.07049	39.1
83.04987	1.4
83.08610	8.0
85.06522	0.9
91.05468	9.9
93.07027	25.6
95.04936	5.1
95.08594	69.4
96.08925	1.6
97.06506	2.4
97.10156	5.1
99.08057	2.0
105.07023	22.4
107.08581	36.3
109.06496	6.8
109.10142	34.5
110.10477	0.9
111.08074	3.6
111.11703	3.7
113.09629	0.8
117.07006	2.0
119.08565	34.3
121.06487	2.3
121.10126	36.9
123.08059	17.4
123.11692	22.0
124.08383	0.7
125.09616	1.5
128.06207	1.0
129.06958	1.4
131.08560	7.2
133.10112	25.2
134.10460	0.9
135.08090	4.0
135.11679	22.6
137.09619	2.9
137.13240	24.1
142.07782	1.1
143.08522	4.3
144.09282	1.2
145.10097	15.5
147.08031	1.1
147.11674	23.3
149.09627	3.2
149.13242	13.1
150.13611	0.8
151.11153	0.8
151.14792	2.6
155.08539	1.1
156.09351	1.0
157.10110	7.3
158.10852	1.2
159.11665	13.3
161.09589	1.4
161.13237	14.3
163.11189	1.5
163.14798	8.3
165.12730	1.0
169.10086	3.6
170.10760	0.8
171.11655	6.8
173.09613	0.8
173.11786	1.2
173.13213	10.9
174.13696	0.7
175.11174	1.3
175.14799	9.1
177.12729	2.3
177.16409	6.6
179.14296	14.1
180.14636	0.8
181.10269	1.1
183.11678	5.7
184.12346	0.7
185.13220	5.2
187.11125	1.1
187.14818	10.8
189.16338	10.8
191.14281	1.5
191.17920	22.5
193.15813	1.1
195.11665	0.7
196.12527	0.7
197.13170	4.1
199.14848	5.0
201.12772	2.1
201.16347	10.7
203.14233	1.4
203.17935	27.5
204.18320	0.9
205.15862	3.0
205.19449	3.7
207.17393	2.7
209.13185	0.8
211.14806	2.6
212.15474	0.7
213.16357	3.4
215.17917	7.5
217.15884	0.8
217.19502	6.5
219.17502	4.5
219.21101	1.2
221.18980	1.1
225.16406	2.7
227.17926	3.3
229.15912	0.8
229.19464	4.4
231.17487	2.9
231.21085	1.4
233.18985	21.8
234.19444	0.9
237.16339	0.9
239.17970	2.3
241.19452	5.0
243.17389	1.2
243.21075	5.5
245.19019	1.4
245.22498	0.9
247.20540	1.4
253.19508	3.9
255.21033	7.5
257.18954	1.6
257.22675	3.1
259.20627	2.2
267.21069	4.2
269.22623	5.1
271.20523	3.3
271.24133	1.0
273.22037	1.9
275.20047	1.7
276.47922	0.6
279.21112	1.2
281.22559	2.9
283.24210	1.8
285.22128	3.4
287.23642	1.0
290.88498	0.8
295.24094	1.9
297.25836	1.5
299.23602	1.5
303.26605	1.0
309.25784	1.8
313.25192	0.9
321.25717	1.4
323.27206	1.3
327.26953	1.8
331.26321	8.9
335.27307	2.0
339.26868	2.1
349.28397	0.8
351.26517	0.9
351.63309	0.7
353.28433	0.7
363.30261	0.9
365.32178	1.0
367.29456	0.8
395.36646	1.9
405.35153	32.2
406.35345	1.6
423.31149	30.0
423.36160	100.0
424.31448	2.7
424.36469	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	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.9
57.07053	5.8
58.87257	1.5
63.78785	1.6
65.03931	1.7
65.30282	1.6
67.05500	36.4
69.07065	26.9
71.04976	3.8
71.08607	2.5
74.87341	1.6
76.17207	1.7
79.05482	19.3
81.07047	55.8
83.08624	11.2
85.06542	2.3
91.05466	20.9
93.07030	44.0
94.04265	1.8
95.04942	2.2
95.08596	94.7
96.08920	2.9
97.06489	3.2
97.10147	4.3
98.21256	9.4
105.07005	33.3
107.08583	76.9
109.06509	18.4
109.10143	71.6
111.08069	6.6
111.11694	3.3
117.06963	3.6
119.08566	46.4
121.06524	1.8
121.10129	74.7
123.08063	15.9
123.11693	38.9
131.08557	15.1
133.10114	65.6
135.08052	5.5
135.11671	32.5
137.09612	3.2
137.13223	12.6
142.07787	2.6
143.08543	6.5
145.10085	23.3
147.11670	28.0
148.12027	1.8
149.09593	2.0
149.13240	29.0
151.14769	4.6
153.12679	2.8
157.10117	9.8
158.10986	2.5
159.11664	22.1
161.13245	20.6
163.11177	2.3
163.14806	21.4
165.12704	2.8
165.16393	3.0
165.69391	1.8
169.10147	1.9
171.11646	10.7
173.11855	2.8
173.13237	16.1
175.14783	15.6
177.12703	2.6
177.16393	11.7
179.14301	30.4
183.11690	4.1
185.13248	7.5
187.14828	21.2
189.12865	2.1
189.16367	20.8
191.14287	4.6
191.17900	7.2
193.15826	2.1
197.13258	3.6
199.14787	6.0
201.16391	11.9
203.14256	2.7
203.16267	1.8
203.17934	9.6
205.15840	6.1
205.19446	2.1
206.11209	1.8
209.13145	2.4
211.14886	3.1
213.16379	4.0
215.17982	11.6
217.19475	11.3
219.21039	2.0
223.14655	2.0
225.16460	3.3
227.17899	4.9
229.19463	8.5
231.17375	2.9
231.20982	2.8
233.18913	4.1
239.17950	3.5
241.19559	7.5
243.21016	8.2
247.20486	2.0
253.19469	4.2
255.21155	8.3
256.21399	2.1
257.22614	5.2
259.20560	5.3
267.21075	5.3
269.22546	8.1
271.24155	3.0
273.22180	3.2
281.22675	4.8
283.24005	5.6
285.22137	2.9
285.25659	2.5
295.24060	4.1
297.25729	3.0
299.23615	3.3
301.25098	1.9
309.25854	2.5
311.27356	3.5
321.25705	2.4
327.26950	2.7
331.26349	10.6
335.27176	2.8
349.27798	2.2
353.28265	3.1
377.31934	3.1
381.03348	1.9
395.36603	2.9
405.30597	3.4
405.35233	34.5
423.14545	2.3
423.31168	44.8
423.36179	100.0
424.31287	6.2
424.36539	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	423.3616
Annotation	glochidone
Peak:m/z	Relative Intensity
51.92931	0.5
53.03930	1.0
55.05503	9.6
57.03412	0.6
57.07054	2.6
57.07327	0.6
58.44436	0.6
65.03919	0.7
67.05162	1.2
67.05494	16.5
69.07061	19.5
69.60027	1.4
69.60432	3.9
71.04983	0.7
79.05476	6.8
81.07047	25.9
83.04973	1.2
83.08615	6.4
85.06524	1.7
91.05469	6.9
93.07029	21.6
95.04963	2.8
95.08597	48.5
96.08938	0.9
97.06498	1.2
97.10152	3.4
98.21344	1.5
105.07013	17.8
107.08580	34.5
108.08913	1.3
109.06489	3.7
109.10143	32.9
111.08057	4.6
111.11712	3.0
113.09618	0.9
117.07000	2.8
119.08566	26.4
121.10127	33.7
123.08064	5.5
123.10799	1.1
123.11686	16.0
125.09627	0.9
129.06964	1.3
131.08539	7.1
133.10112	25.7
134.10454	0.8
135.08047	1.7
135.11673	22.3
137.09613	1.9
137.13232	7.0
139.11136	0.9
142.07777	0.7
143.08545	2.9
144.09312	0.7
145.10120	10.1
146.10443	0.6
147.08023	0.7
147.11673	17.9
149.09613	2.2
149.13264	6.2
151.11165	1.9
151.14835	1.2
155.08513	0.8
157.10097	6.5
158.10774	0.7
159.11665	13.1
161.09622	0.8
161.13228	12.2
163.11111	0.9
163.14815	7.8
165.12796	1.0
169.10085	1.5
170.10904	0.7
171.11684	5.4
173.13240	10.2
175.14816	13.2
176.15221	0.6
177.16367	6.8
179.14304	7.7
183.11731	2.3
185.13246	4.7
186.13997	0.9
187.11111	1.0
187.14757	7.7
189.16351	12.3
191.14320	0.8
191.17935	19.7
197.13197	2.2
199.14793	3.8
201.16342	6.1
203.14282	1.1
203.17935	21.0
205.15840	2.7
205.19537	2.4
207.17467	1.6
211.14801	1.9
213.16281	3.3
215.17914	11.7
217.19461	5.6
219.17482	3.5
219.21089	1.0
221.19023	3.5
225.16435	2.8
227.17946	2.7
229.19450	4.7
231.17444	1.0
231.21155	1.1
233.18950	4.9
239.17908	2.2
241.19565	3.4
243.17302	1.0
243.21057	6.6
245.22649	1.2
253.19516	2.4
255.21011	5.6
257.18982	2.3
257.22498	3.1
259.20654	3.7
266.20120	0.8
267.21057	3.7
269.22565	6.5
271.20541	2.1
271.24194	2.4
273.22211	1.2
275.19824	1.0
279.21069	0.7
281.22571	2.3
283.24158	2.4
285.22195	4.2
285.25061	1.0
295.24362	3.5
297.25815	1.8
299.23666	1.0
299.27277	0.7
309.25717	2.4
313.25137	2.2
313.81818	0.7
321.25751	2.0
327.26785	3.6
331.26367	2.5
339.26837	2.8
395.36829	1.2
405.35190	23.3
406.35550	1.3
423.31323	7.3
423.36197	100.0
424.31647	0.9
424.36661	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	glochidone
Peak:m/z	Relative Intensity
53.03947	0.7
55.05502	9.8
57.02649	0.7
57.03418	1.2
57.07060	2.7
59.04992	1.0
65.03941	1.0
67.05495	18.0
67.20476	0.6
69.03403	1.1
69.06712	1.3
69.07058	19.7
70.97404	0.9
70.97723	1.6
71.04978	1.2
71.08628	1.3
72.89116	0.6
73.56127	0.7
75.23857	0.7
79.05479	8.5
79.85426	0.7
81.03394	1.2
81.07044	25.9
83.04980	1.0
83.08610	8.9
85.06528	2.5
91.05463	8.4
93.07032	19.6
95.04935	2.8
95.08591	51.3
96.08958	1.1
97.02908	1.9
97.06522	1.9
97.10165	3.5
98.21056	0.8
99.08069	1.0
103.05483	0.8
105.07014	17.4
107.08572	34.0
109.06509	3.5
109.10139	35.4
110.10459	1.0
111.08069	3.8
111.11700	4.8
115.15309	0.7
117.07019	2.4
119.08561	23.5
121.10123	31.1
123.08057	7.8
123.11677	16.4
125.09608	1.2
126.33410	0.7
127.03911	1.3
129.07031	1.0
131.08517	7.3
133.10112	22.9
135.08041	2.3
135.11671	21.1
137.09599	2.8
137.13239	6.7
143.08549	2.8
145.10107	12.6
147.08022	1.5
147.11658	17.3
149.09595	2.1
149.13232	9.9
151.11133	1.4
151.14857	2.0
155.08514	1.7
156.09332	1.1
156.13945	0.8
157.10123	5.7
159.11659	11.4
161.13251	11.7
163.11133	1.0
163.14822	7.6
165.12816	0.9
169.10191	2.1
170.10907	0.9
171.11661	5.5
173.09714	0.8
173.11835	1.1
173.13203	9.4
173.14471	1.0
173.94244	0.7
175.14806	11.0
177.12729	1.3
177.16348	6.7
179.14279	9.2
183.11671	2.1
185.13203	5.4
186.14026	0.8
187.14787	7.5
189.12654	1.3
189.16351	11.3
191.14313	1.2
191.16161	1.4
191.17929	23.4
193.15904	1.2
197.13274	3.3
198.14030	0.9
199.14772	4.5
201.12743	1.0
201.16335	6.5
203.17921	20.1
204.18315	1.5
205.15814	2.4
205.19420	4.7
207.17432	1.2
209.13260	1.0
211.14835	2.2
213.16353	3.9
215.17909	6.2
217.15948	1.6
217.19510	6.1
219.17389	3.9
219.21191	1.0
221.19008	2.6
225.16397	1.7
227.17929	2.3
229.15860	0.9
229.19531	2.7
231.21011	1.8
233.18953	7.6
239.17807	1.5
241.19456	3.6
243.17323	1.1
243.21033	8.4
245.18782	1.2
253.19476	2.8
255.20987	6.6
257.18857	1.8
257.22690	2.8
259.20544	5.2
261.22095	2.7
267.21082	3.3
269.22610	7.3
271.20529	3.6
271.24081	1.5
273.22116	2.4
279.21124	1.1
281.22665	3.3
283.24091	1.7
285.22198	3.7
295.24234	3.4
299.23865	1.2
299.27200	0.9
305.22797	0.9
309.25848	1.9
311.27249	1.4
311.48026	0.7
313.25311	1.8
321.25763	1.4
327.26846	3.4
331.26236	4.2
335.27435	1.4
339.26880	2.7
349.28415	1.0
365.32123	0.8
395.36780	2.7
405.35291	20.4
406.35703	1.7
406.47250	0.8
423.31390	10.1
423.36237	100.0
424.31445	1.1
424.36368	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	424.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
52.51015	0.3
55.01896	0.3
65.03915	0.6
67.01863	2.4
67.05477	0.5
68.57608	0.3
68.99770	2.0
69.03433	1.4
69.71813	0.2
70.02937	0.4
70.06582	0.5
71.61122	0.5
72.87115	0.3
74.00662	1.0
79.01821	0.4
80.29242	0.3
81.07042	0.6
83.01324	0.3
85.02911	0.7
86.09697	0.4
88.03977	10.0
91.05449	0.3
93.06982	0.5
95.08576	0.3
97.02888	0.9
107.08587	0.5
109.10168	0.4
111.00793	1.3
111.04423	1.0
113.02351	2.8
117.99621	0.6
120.01160	1.0
121.01063	0.6
121.02802	0.3
121.10125	0.4
123.04409	0.7
125.00581	0.5
125.05917	0.3
127.02081	0.4
127.03902	1.5
129.00041	1.1
132.04431	0.5
133.10146	0.6
136.07590	0.4
137.00508	2.4
137.02228	0.3
139.03874	0.6
141.00031	0.9
147.04349	0.7
148.03789	0.3
149.00549	3.5
149.02376	0.6
151.03923	0.3
153.01808	100.0
154.02168	1.2
155.01598	12.1
156.99561	2.4
161.04677	0.4
162.05519	0.7
163.03839	0.3
165.00037	5.0
166.00772	1.0
167.01633	1.2
167.03397	0.9
168.99472	0.3
171.02870	2.2
173.13245	0.3
175.02101	0.5
176.01654	1.0
178.04851	0.5
179.01582	1.2
180.99527	1.7
181.01274	0.8
181.03110	0.5
183.01064	1.4
187.02057	0.5
191.14301	0.6
192.99525	1.3
194.02690	17.3
194.04472	6.8
195.01187	0.5
195.02879	0.9
206.02695	1.0
208.04288	0.6
208.98906	0.5
209.15315	1.0
215.01587	0.5
219.01132	1.2
223.00552	0.7
227.16386	1.3
228.04031	0.4
229.04919	0.6
233.02444	0.6
240.03215	56.0
241.03532	1.0
242.04819	0.4
243.01065	3.1
245.04433	0.7
254.04872	1.3
255.03177	1.1
258.02197	0.6
261.02170	4.7
265.31506	0.3
271.00565	15.2
272.05820	6.7
279.03232	4.8
284.03107	3.2
287.05347	0.9
289.01602	2.5
297.30731	0.4
299.00067	3.7
300.00452	0.4
307.02676	6.3
315.03058	0.8
317.01105	31.1
318.01355	0.6
319.02646	11.1
335.02151	4.5
342.04254	1.1
343.02716	2.5
360.05280	0.8
389.03125	0.4
406.05878	9.8
407.04175	1.7
424.06830	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	424.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35506	0.7
55.05502	1.3
57.03413	0.7
65.03925	1.3
67.01870	1.9
67.05464	0.7
68.99770	3.1
69.03423	2.2
69.07053	0.9
69.98611	1.9
69.99025	3.2
70.06567	1.7
71.04977	1.9
72.09414	0.7
74.25589	0.8
76.07652	0.9
79.05461	0.8
81.07064	0.8
83.08611	0.9
84.04498	1.1
85.01106	2.6
85.02878	2.1
91.05473	4.4
93.07037	0.9
95.04966	1.2
95.08532	1.2
97.01070	1.3
97.02876	2.4
97.06463	1.2
98.97580	1.3
99.02642	1.4
99.05553	1.5
105.07004	1.0
107.08588	1.3
109.10115	0.9
111.00783	2.4
111.04388	1.4
113.00590	4.1
116.10727	1.4
119.08585	1.8
121.02859	1.8
121.10098	1.7
123.04424	1.7
123.86243	0.7
125.00526	1.5
127.02164	5.6
127.03921	1.4
130.04942	1.0
133.10060	1.1
135.02673	1.1
135.08078	1.0
137.02333	2.1
139.03868	1.5
139.11159	1.2
141.00029	14.4
145.06050	2.8
147.04402	1.8
149.02322	2.1
151.02057	1.3
151.11148	1.9
153.00040	6.9
153.01805	100.0
155.01591	58.0
156.99432	1.5
163.02119	1.1
165.01823	2.6
166.58795	0.8
167.03339	0.8
167.07008	2.1
167.14281	1.4
168.99533	3.1
171.02864	6.8
173.13226	1.2
177.03284	0.9
179.01587	10.2
179.03380	4.2
180.99518	17.7
181.01282	8.5
183.01135	5.7
183.02591	1.1
191.01518	1.2
191.14273	2.0
194.02000	1.9
195.02866	68.2
196.03151	0.9
208.98962	6.2
209.15321	10.2
219.01114	2.6
228.04126	2.4
229.05061	1.7
231.01077	1.6
233.02573	1.6
243.00981	0.9
245.04446	2.6
247.00516	2.9
255.03127	1.7
256.03613	1.8
261.02164	5.9
271.00604	2.3
272.05786	5.4
273.03967	2.1
274.04767	4.0
275.00131	2.1
279.03162	1.3
284.03101	11.1
285.03952	4.7
289.01642	6.8
298.99930	0.9
302.04172	9.0
307.02643	1.8
315.03174	2.5
317.01120	19.3
318.13870	0.8
325.01443	0.9
325.13361	0.9
333.04019	0.7
335.02148	67.0
336.02362	1.5
343.02704	8.4
360.99631	1.3
361.03687	12.5
370.03754	1.8
371.02249	4.5
378.06094	1.0
388.04919	4.3
389.03146	4.9
406.05740	5.9
407.04205	21.1
424.06876	16.3
424.15936	1.1
425.07275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01868	8.6
55.05500	3.3
56.96556	4.9
57.03426	6.2
59.04998	2.1
61.02923	4.1
67.05492	4.1
69.03419	13.9
69.07056	5.8
69.78479	6.4
69.78885	3.6
71.01351	1.4
71.01785	1.3
71.04982	5.8
73.02902	5.6
75.77861	1.5
77.19337	1.6
79.05476	6.7
81.03417	13.7
81.07038	10.1
83.05022	1.8
83.07965	1.3
85.02895	76.4
85.06528	3.7
86.03284	1.8
86.09696	1.8
87.04433	1.7
91.05471	5.2
93.07026	13.0
95.04968	2.5
95.08595	12.7
96.08929	2.1
97.02888	15.8
97.06516	8.6
98.97584	11.6
99.04441	37.7
103.03928	91.6
104.04281	1.4
105.07024	12.9
107.08580	25.5
108.08970	1.9
109.02875	14.7
109.06506	5.9
109.10148	2.6
111.08025	2.6
113.05994	2.2
115.03870	2.6
116.98627	8.5
117.06989	1.7
119.08559	8.7
121.06473	4.9
121.09383	1.4
121.10120	8.9
123.08038	4.8
127.03903	100.0
128.04242	2.5
131.00142	2.3
131.08540	2.4
133.04947	3.3
133.10135	2.7
134.99657	2.5
135.04323	2.1
135.08044	1.9
135.11676	6.4
140.51770	1.5
141.09088	1.6
145.04942	57.8
145.10089	9.9
146.10509	2.1
146.99619	2.5
147.04456	1.9
147.11681	3.1
149.09581	3.9
151.07535	4.1
158.99629	3.2
159.11690	2.9
161.13271	1.5
163.03929	2.6
163.06004	60.1
163.07381	3.2
163.11159	17.1
167.07037	2.8
167.10643	8.0
169.08578	45.0
172.02423	1.5
173.01212	2.5
173.13223	2.6
177.00719	6.4
181.12245	10.8
185.11710	4.1
185.13188	2.0
187.06032	4.6
187.14871	3.4
188.15079	3.3
191.02231	3.3
191.10651	3.6
191.14340	2.4
201.00940	1.5
201.16443	2.2
202.16771	1.8
205.07059	6.0
209.11774	5.7
209.15314	3.3
219.01715	2.2
223.33450	1.5
227.12752	80.1
228.10329	1.3
228.13078	4.4
237.02834	2.9
244.09688	1.9
244.99725	2.9
245.13725	9.3
253.07162	2.5
263.00732	1.9
267.12668	3.0
271.08212	8.6
289.09140	10.5
303.04913	6.8
307.10172	17.5
333.13278	4.7
377.01804	5.8
389.18021	2.8
395.02716	2.9
396.03040	2.1
413.18445	6.3
424.32968	3.5
425.16843	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	424.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01860	5.3
55.05485	3.0
56.96547	1.2
57.03402	1.5
61.02920	1.4
67.05496	6.2
68.17308	1.1
69.03413	4.0
69.07046	3.5
69.52526	8.6
70.06593	1.9
71.04981	3.2
72.08144	1.1
73.06551	1.3
79.05479	4.5
81.03411	2.3
81.07039	8.4
83.04958	2.0
83.08595	1.1
85.02898	9.9
85.06530	2.7
86.09692	1.2
87.04424	1.4
89.11720	1.0
91.05460	3.7
92.60921	1.0
93.07022	8.8
95.04951	8.3
95.08597	5.1
97.02887	4.9
97.06506	4.4
99.04429	4.7
101.05941	1.1
105.07022	8.2
107.08572	17.5
109.06501	3.3
109.10137	3.3
111.08081	1.1
113.06003	2.5
113.78865	1.1
117.06972	1.6
119.08559	5.0
121.06483	3.6
121.10128	12.4
123.08037	3.8
125.09676	1.0
125.31280	0.8
125.41685	0.8
127.03893	3.1
127.07546	1.0
131.08559	2.0
133.10144	1.3
135.08052	1.1
135.11649	4.9
137.05919	1.1
143.07173	1.1
145.10098	6.6
147.11636	1.9
149.09599	2.9
151.07530	4.6
153.01831	1.8
153.12794	1.4
162.05492	3.2
163.03876	3.9
163.11151	18.7
167.10605	5.8
169.08577	31.1
173.09564	1.5
173.13121	1.0
181.12198	16.1
185.11751	1.9
191.10663	8.8
191.36974	1.0
197.08499	0.9
209.11664	10.0
227.12743	100.0
227.16310	2.5
228.12950	2.1
244.09796	1.4
245.13824	6.8
256.09589	2.1
261.03397	1.5
262.10632	1.8
302.10272	1.6
303.04996	2.8
370.20602	1.2
377.01669	2.4
387.72418	1.2
395.02902	1.7
425.17746	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	424.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23252	0.9
53.03919	3.2
55.01867	1.4
55.05517	0.9
57.03398	1.4
58.05602	0.9
61.02910	2.5
62.52561	0.9
63.75066	0.9
66.63549	0.8
69.03423	10.6
70.33012	3.8
71.04985	4.7
73.02896	2.1
76.83924	0.9
79.74754	0.9
81.03403	12.5
81.07068	1.1
85.02894	63.0
86.03224	0.9
90.10828	1.0
91.05452	1.2
93.07040	0.9
95.08579	1.1
97.02884	21.6
99.04440	38.7
103.03927	87.0
104.04301	1.2
105.07037	1.8
109.02866	14.3
123.04365	1.0
127.03897	100.0
128.04240	1.2
135.07996	1.0
138.39081	0.9
145.04944	54.1
163.06001	57.0
164.06340	1.3
169.44197	1.1
187.05940	5.5
205.06944	2.5
209.11742	1.1
214.22069	1.0
253.06978	1.5
269.13812	2.8
271.08206	7.7
289.09122	5.5
307.10156	9.9
378.00146	0.9
379.03595	1.1
383.00366	1.6
389.18082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98704	0.9
55.01849	2.2
55.05507	6.5
56.96540	1.4
57.03418	1.5
57.07060	4.9
61.02928	1.9
65.03935	1.0
67.05492	6.3
69.03411	4.3
69.06713	1.4
69.07059	21.2
71.04992	2.4
71.08620	5.0
71.22818	2.6
73.02901	4.6
79.05480	3.5
81.03404	1.3
81.07047	24.7
82.07369	1.1
83.04966	4.0
83.08614	6.1
85.02896	22.8
85.06532	6.4
85.10194	1.5
88.63128	1.0
91.05470	3.6
93.07043	6.5
95.04959	2.1
95.08598	10.4
96.08950	1.2
97.02867	2.3
97.06498	2.9
97.10123	1.2
99.04441	6.1
99.08092	1.3
101.02367	8.7
105.07028	12.6
107.08580	11.6
108.08964	1.2
109.06489	4.7
109.10150	4.7
111.04453	1.0
111.08056	2.0
113.06000	2.5
115.07538	1.8
117.06998	1.2
119.08564	8.6
120.08868	1.3
121.10140	12.1
123.04355	1.5
123.08051	5.6
123.11694	29.4
127.03893	1.2
127.07539	9.5
131.08533	3.3
132.08897	1.3
133.10086	2.5
134.10396	1.2
134.99632	1.0
135.11678	2.2
137.13232	2.7
141.09064	2.4
145.10097	2.9
146.10498	1.9
147.11678	35.0
149.13261	2.2
150.79111	0.9
155.14296	7.9
156.09071	1.0
157.10062	1.9
159.11650	2.4
161.13174	1.1
165.12729	24.8
173.13203	1.3
174.13705	1.6
175.14804	1.4
183.13789	96.7
184.12172	1.0
184.14072	2.3
185.13327	1.2
185.18892	1.0
187.14821	1.2
195.65770	1.1
201.14835	100.0
202.15147	2.2
222.15623	1.1
424.24258	2.0
424.32886	2.9
425.25586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37118	1.3
51.51894	1.3
55.01858	1.6
55.05503	19.6
56.96550	2.6
67.05490	5.6
69.03423	6.3
69.07070	6.2
69.84251	6.8
70.06558	1.8
71.04963	3.3
72.31966	1.3
79.05487	6.1
81.07053	7.3
83.04976	11.6
83.08611	14.8
85.02906	5.7
85.06530	3.7
91.05462	5.4
93.07037	15.1
95.04964	12.7
95.08575	6.2
97.02888	2.0
97.06522	6.8
97.10154	2.1
98.97586	12.0
99.04455	3.3
105.07024	8.1
107.08591	24.8
107.09290	2.5
109.06535	11.0
109.10159	9.1
111.04354	1.4
111.08066	4.5
113.06003	1.5
115.07549	7.4
116.98602	6.0
119.08589	7.3
121.06462	3.0
121.10127	46.7
123.08068	2.8
123.11688	4.6
125.09634	6.6
131.08562	2.9
133.10109	15.2
134.99664	2.2
135.08037	3.4
135.11667	4.4
139.03946	1.6
144.73448	1.2
145.10135	2.9
147.11661	4.6
149.05899	4.2
149.09555	1.4
149.13229	4.7
151.11171	17.2
153.09090	6.6
158.10855	1.8
158.99634	4.9
159.11716	1.1
163.14801	9.9
167.14310	23.6
173.04585	1.5
173.13243	13.8
175.14799	3.0
177.00752	6.8
177.12743	2.0
191.14265	17.9
200.04437	1.8
205.12204	2.5
209.15343	100.0
210.15654	1.4
214.08560	2.1
219.01761	2.1
221.07460	2.6
227.16434	8.2
230.08150	2.7
249.07858	2.0
265.11182	1.7
267.08984	3.2
279.08884	1.8
297.10077	4.5
309.10046	1.3
310.19952	1.4
311.10626	2.2
321.09909	3.6
334.15277	3.4
339.11115	5.8
343.15857	2.6
381.12180	6.5
424.18570	12.5
424.68546	5.0
425.08801	2.9
425.17761	26.1
441.14249	6.1
442.14590	1.7
445.17255	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.1
56.36809	1.0
56.96562	1.5
57.07059	1.3
57.38755	0.9
59.05005	2.1
67.05482	1.8
68.46139	0.8
69.03426	2.0
69.07064	5.3
70.06611	2.2
71.04982	2.4
71.15119	1.6
71.15455	1.2
79.05469	2.9
79.29485	0.8
79.65708	0.9
81.03422	1.1
81.07031	5.7
83.04976	8.4
83.08605	12.4
85.02894	3.2
85.06529	4.0
85.48930	0.8
91.05465	3.1
93.07035	10.6
95.04958	10.0
95.08613	5.0
97.02884	1.4
97.06520	4.0
97.10152	3.3
98.77229	0.9
98.97561	4.6
99.04433	2.7
102.80013	0.9
105.06995	4.8
107.08590	16.8
109.06510	6.1
109.10143	8.0
111.08067	3.3
115.07556	5.4
116.98582	2.6
119.08580	4.6
121.10130	41.9
123.04386	1.3
123.08049	1.8
123.11676	2.9
125.09642	5.5
127.03907	1.9
131.08522	1.9
133.10127	9.3
134.99677	1.1
135.08020	2.4
135.11685	1.9
139.03871	2.8
145.10135	1.9
147.04378	1.2
147.11665	3.1
149.13309	3.0
151.11163	14.3
153.01871	1.7
153.09090	4.3
158.10835	1.1
158.99619	1.4
163.14806	11.6
167.14294	17.4
173.13232	7.3
175.14778	3.0
177.00690	1.6
179.03371	0.9
189.05382	1.0
191.14314	13.0
209.15347	100.0
210.15652	3.7
215.07013	1.3
227.16383	10.9
245.04715	1.1
259.06223	1.0
260.79623	1.1
262.10657	2.3
271.06000	1.3
279.09308	1.3
287.05444	1.5
297.10083	1.4
299.05447	3.1
311.10730	1.9
339.11191	1.2
381.12289	2.1
407.07693	2.6
424.18439	2.5
425.08664	5.9
425.17734	13.4
436.15338	1.0
441.14172	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	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.3
55.05501	13.7
55.93527	3.0
56.96544	5.6
57.03408	4.5
60.04506	4.2
67.05495	8.3
68.99774	8.9
69.03408	9.5
69.07050	7.1
69.61942	26.6
71.04971	6.5
79.05489	6.9
81.07045	11.3
83.01328	5.8
83.04970	14.1
83.08604	10.4
85.02895	17.4
91.05488	4.6
93.07022	6.9
95.04958	11.7
95.08602	7.1
97.02876	7.1
97.06496	7.3
98.97585	4.8
101.04308	3.4
105.07015	7.4
107.04977	3.7
107.08580	14.7
109.02875	6.1
109.06481	10.0
109.10144	12.0
111.04408	4.3
111.08061	4.3
115.05431	3.5
116.98608	9.8
117.07043	5.6
119.08558	5.2
121.10101	15.6
123.04386	15.8
123.08035	6.7
123.11680	4.7
125.09596	7.4
127.03891	9.5
128.98637	3.3
129.07022	4.3
130.06488	4.0
131.04959	3.1
131.08594	5.0
133.10107	23.1
135.04407	4.7
135.11652	3.7
135.48991	3.5
137.06012	4.2
139.03896	46.0
139.04903	5.1
145.04910	4.0
145.06490	3.3
146.99677	4.5
147.04401	13.0
147.11667	7.7
149.13225	4.5
151.03972	4.3
151.11174	10.9
153.09045	3.7
155.03416	9.2
157.06444	7.1
161.05989	9.2
163.03876	8.2
163.11143	4.8
163.14792	4.6
164.07089	3.7
167.14287	14.5
168.24092	3.2
169.06503	3.7
173.06056	6.9
173.13255	17.9
177.00737	4.3
177.05402	4.1
179.03360	7.9
185.06023	5.8
187.07513	3.6
189.05510	5.2
191.14278	24.4
201.05431	10.3
203.03487	4.3
203.06946	4.2
209.15347	84.8
213.05460	14.8
215.03488	3.2
215.06981	15.1
221.05557	3.9
225.05486	4.6
227.16382	14.6
229.04932	16.0
230.05775	4.6
237.02776	6.0
241.05013	6.3
243.06558	14.5
247.05971	4.8
253.04875	6.2
257.04498	17.5
258.05240	9.7
259.05960	31.8
262.10892	5.3
271.06024	37.7
275.05374	3.7
282.05081	3.5
287.05521	11.9
295.05905	4.1
299.05453	52.0
333.07428	4.9
335.62744	3.3
365.05743	7.3
379.07962	8.8
389.06454	5.8
397.09027	9.1
407.07605	34.7
425.08615	100.0
425.17496	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	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.7
69.03437	0.5
69.58734	2.5
77.00885	0.7
82.99840	1.0
87.23478	0.4
90.24641	0.6
94.99866	0.5
95.15846	0.4
97.02862	0.8
98.97573	1.1
101.00860	7.9
105.00351	0.6
109.02873	0.5
110.97568	0.4
113.00854	1.1
116.98624	0.6
119.01913	24.8
120.01994	1.2
127.02393	1.0
131.01894	9.0
133.03406	0.9
133.44502	0.4
137.02925	3.6
139.02338	0.9
142.03508	0.8
143.01886	23.2
144.01990	1.0
145.03448	9.4
147.01427	0.6
147.05058	0.8
149.02946	1.5
155.01883	10.6
156.02034	0.5
157.03433	6.9
161.02943	55.3
162.03061	1.7
163.04498	1.6
167.01868	5.5
169.03352	3.1
171.05019	1.5
173.02946	22.2
174.03127	0.6
175.04517	2.6
177.00626	0.5
179.01863	2.5
179.04007	1.1
181.03445	0.6
184.04532	2.0
185.02939	34.6
186.03078	1.7
187.04485	4.1
191.03995	5.5
197.02945	14.4
198.03110	0.7
199.04575	0.8
203.03990	17.6
204.04202	0.7
208.04651	1.0
209.02942	1.0
215.03973	8.1
221.05017	2.2
227.03995	6.9
233.04945	0.9
239.03947	0.9
245.05054	100.0
246.05217	5.2
257.05011	4.8
263.06113	29.2
264.06415	1.5
275.06091	15.4
276.06390	0.5
281.01965	0.6
286.07690	1.2
293.07156	4.2
305.07153	10.9
335.08194	3.9
365.09305	8.8
366.09424	0.6
383.10175	1.4
425.11398	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01848	0.2
55.05492	0.4
56.74701	0.2
67.05523	0.2
69.03412	0.5
70.06573	0.8
70.71588	0.7
71.04963	0.7
72.08160	0.3
77.12169	0.2
81.03398	0.4
81.07050	0.4
83.06103	0.2
84.41238	0.2
85.02887	0.8
86.09680	0.3
88.07598	0.2
91.05462	2.8
92.05837	0.3
93.06988	0.2
97.02880	0.4
98.06032	0.6
105.06996	0.3
105.08717	0.2
105.52350	0.2
119.01868	0.4
120.08123	0.5
123.04401	0.7
124.07565	0.3
127.03890	0.5
129.44853	0.2
134.99638	0.2
137.05995	0.3
139.03929	1.2
141.00006	0.3
147.04324	0.6
151.03885	0.3
153.01790	2.2
154.02155	1.3
155.01578	1.2
156.01920	0.7
161.02898	0.3
163.03893	0.4
175.72295	0.2
177.05415	0.3
179.03337	0.3
185.02957	0.2
195.02869	1.7
196.03227	0.8
200.10661	0.3
203.03477	0.5
213.05389	0.3
217.13322	0.8
245.04443	1.0
245.12804	1.8
257.04230	0.4
259.06161	0.3
263.02090	0.3
263.13934	2.6
269.04468	0.4
273.06549	0.3
287.05630	0.4
293.09933	1.8
299.05222	0.5
311.09753	0.5
317.42233	0.2
318.01291	0.5
335.02167	0.3
336.02451	1.8
337.02045	0.2
344.03134	0.4
365.06339	0.3
379.08066	0.4
381.15280	0.2
395.11853	0.3
407.07330	1.4
407.14191	0.3
408.04486	0.9
425.14050	100.0
426.14392	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1412
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
53.03917	0.3
56.96540	0.9
69.03410	0.5
70.06566	1.1
71.04961	0.3
71.17601	0.7
81.03382	0.4
81.07052	0.4
81.12029	0.3
83.04946	0.3
85.02894	1.7
86.09698	0.5
91.05466	4.1
92.05786	0.4
93.06998	0.4
95.04965	0.3
97.02859	0.6
98.97590	0.6
99.04426	0.7
103.03915	1.2
107.08533	0.4
116.98562	0.5
119.01909	0.8
123.04427	0.7
127.03913	1.7
133.10094	0.4
134.99605	0.4
138.09015	0.4
139.03867	0.8
141.31096	0.3
143.01906	0.3
145.03441	0.4
145.04922	0.9
146.99608	0.4
147.04347	0.5
149.13213	0.3
155.01851	0.4
161.02936	0.3
163.03888	0.4
163.06026	0.7
173.02968	0.6
179.03680	0.5
185.02846	0.4
197.04836	0.8
204.95308	0.3
210.15604	0.6
215.03909	0.4
215.05814	0.8
219.01672	0.6
221.98314	0.3
223.02803	0.4
233.06824	0.4
237.02757	1.0
245.04028	0.3
255.05496	0.4
257.04739	0.3
281.03421	0.8
281.10587	0.4
293.08939	0.5
299.04202	1.7
311.09729	3.3
329.10629	0.9
425.14072	100.0
426.14420	4.1
443.08261	0.4
443.15616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3408
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.95878	1.2
53.03941	2.2
55.05499	9.2
55.91829	1.4
57.07061	4.7
58.76037	1.3
59.04978	1.3
67.05495	14.6
69.03407	2.6
69.07056	20.6
69.47607	8.0
69.48026	2.4
71.04974	2.0
73.06573	2.0
79.05496	14.6
79.43884	1.2
81.07048	34.2
82.68339	1.5
83.04962	2.3
83.08598	9.5
85.06522	2.7
91.05460	17.5
93.06461	2.2
93.07036	35.8
95.04957	3.5
95.08593	52.8
97.06525	2.8
97.10178	2.9
99.08098	4.0
105.07018	43.2
107.04910	1.4
107.08580	68.7
109.06485	4.2
109.10145	33.6
111.08060	5.4
116.36456	1.2
117.07003	8.3
119.08568	64.0
120.08913	2.0
121.06511	3.7
121.10126	56.5
122.10476	1.2
123.08035	5.0
123.11701	15.3
125.09616	4.8
128.06232	1.7
129.07016	4.0
130.07758	3.6
131.08548	26.5
133.10114	41.7
135.08054	8.5
135.11674	25.5
137.09639	6.3
137.13268	4.1
142.07770	2.4
143.08542	10.2
144.09283	2.3
145.03572	1.4
145.10101	49.4
147.08026	1.9
147.11676	28.8
149.09607	4.7
149.13235	22.9
151.11163	4.0
151.14755	1.7
155.08510	1.8
156.09296	2.9
157.10130	12.4
158.10831	1.9
159.11674	38.5
161.09592	2.4
161.13239	23.3
163.11143	9.2
163.14787	21.4
165.12761	2.4
169.10182	3.4
170.10931	1.8
171.11670	12.5
172.12486	3.2
173.13251	28.3
175.11194	2.5
175.14812	26.9
177.12746	8.5
177.16328	21.8
177.17755	1.5
179.14351	3.2
181.06561	1.6
181.10162	1.8
183.11641	4.9
184.12370	1.6
185.13229	13.7
186.13971	1.9
187.14796	39.8
188.15118	1.9
189.12801	2.6
189.16350	27.3
191.14307	10.6
191.17931	6.9
193.15846	2.5
195.11662	1.5
197.13254	5.9
198.14122	2.1
199.14838	11.4
201.16359	61.9
203.14311	3.0
203.17937	26.0
205.15855	54.0
205.19669	2.9
206.16368	2.8
207.17445	8.3
211.14963	3.1
212.15501	1.7
213.14668	1.7
213.16376	9.9
215.14374	3.0
215.17964	14.9
217.15904	5.0
217.19489	7.3
219.17442	25.0
221.19051	3.6
223.15002	2.2
223.16905	8.5
225.16408	2.1
225.55144	1.3
227.17952	5.9
229.15883	1.6
229.19524	4.9
231.17418	2.3
233.19017	3.7
235.17087	2.4
235.20529	4.1
241.19476	58.6
242.19968	2.2
245.18954	2.9
247.16994	1.7
255.21118	5.0
257.18958	2.3
269.22736	2.4
279.21036	1.7
295.24277	3.3
299.11758	1.8
309.26010	2.6
337.25430	1.4
349.28409	1.5
379.98874	1.4
389.31876	6.4
395.33142	5.8
407.28412	2.4
407.33124	31.8
408.33380	2.2
425.34155	100.0
426.34521	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	425.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.90701	0.6
55.05246	0.9
55.05495	7.2
57.07074	1.3
58.83121	0.8
62.93998	0.7
64.07182	0.6
65.03922	0.9
67.05170	0.9
67.05497	11.2
69.03438	0.7
69.07061	12.3
70.23943	1.6
70.24336	1.7
77.45141	0.7
79.05478	10.8
81.07047	25.2
83.08624	4.0
83.88271	0.6
91.05460	9.9
93.07027	24.4
95.04965	5.2
95.08595	47.2
97.10139	2.5
98.21432	1.0
100.09808	0.7
105.07019	34.0
106.07343	1.0
107.04974	0.8
107.08578	39.0
108.08902	1.0
109.06494	1.2
109.10143	22.7
111.11617	1.0
117.06982	2.6
119.08565	28.9
120.08905	1.0
121.06473	4.2
121.10123	26.8
123.08032	1.1
123.11697	7.0
124.27505	0.7
129.06924	1.1
131.08556	19.2
133.10115	23.9
134.10387	1.0
135.08041	2.1
135.11679	11.7
137.09564	0.9
137.13205	1.0
142.07739	1.0
143.08549	4.7
145.10109	15.8
147.08018	2.1
147.11670	18.0
149.09589	2.2
149.13237	31.2
155.08571	0.8
156.09351	1.6
157.10156	6.2
158.10745	1.5
159.11670	9.5
161.09561	3.6
161.13228	13.8
163.11174	7.7
163.14809	29.1
170.10823	1.0
171.11673	4.6
173.13239	31.3
175.11174	4.9
175.14793	23.0
175.16248	1.4
177.12779	1.2
177.16371	20.0
185.13234	4.7
187.11072	0.8
187.14789	12.0
188.15239	1.0
189.12685	2.2
189.16341	15.5
190.13536	1.0
191.14282	27.2
191.17928	8.2
192.14775	0.7
193.12204	7.1
193.15854	4.0
197.13066	0.8
199.14784	3.8
201.12662	1.3
201.16347	5.4
203.14375	12.9
203.17929	100.0
204.18294	2.7
205.15871	1.4
205.19464	3.9
213.16364	4.1
215.14351	1.4
215.17897	2.5
217.15947	3.6
217.19475	2.2
221.15338	32.0
222.15636	1.1
227.17957	1.0
229.15862	1.1
229.19601	1.2
231.17488	1.5
231.20999	5.3
232.04166	0.7
235.16888	1.8
243.17448	1.3
243.21089	1.0
247.16878	3.8
247.24135	0.9
249.18289	0.9
257.18918	0.9
259.20737	0.7
269.22751	0.8
311.23581	0.8
347.27069	0.9
377.32434	0.9
379.33621	1.4
389.32031	1.6
395.33093	5.6
407.33023	9.9
425.34094	72.8
426.34464	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03938	1.0
55.05503	5.6
57.07070	1.6
67.05495	9.9
67.61745	0.8
69.07056	12.3
70.57631	3.1
72.71905	0.8
75.06540	0.8
79.05482	8.4
81.06566	1.6
81.07047	25.3
83.08606	3.1
91.05460	10.6
93.07034	29.5
95.04934	5.8
95.08595	42.9
96.08891	0.8
97.06510	2.1
97.10154	3.6
100.72637	0.8
103.30919	0.9
105.07017	35.5
107.08581	36.0
109.06530	1.4
109.10132	21.9
111.11679	1.3
117.07004	2.5
119.08569	30.2
121.06503	5.3
121.10124	25.3
123.08089	1.5
123.11705	7.4
129.07018	1.6
131.08554	17.7
133.10109	26.5
135.08080	1.9
135.11674	10.5
137.09624	1.0
137.13222	1.3
142.07715	1.1
143.08536	2.7
144.09349	1.2
145.10104	15.2
147.08087	1.7
147.11661	16.9
149.09576	2.2
149.13240	31.6
157.10097	5.8
158.10912	1.4
159.11667	7.9
161.09587	3.9
161.13229	12.3
163.11160	7.6
163.14798	26.5
167.63010	0.9
169.10085	0.9
170.10777	1.0
171.11668	3.6
172.12477	0.9
173.13249	30.1
174.13539	1.1
175.11226	4.4
175.14807	21.4
177.12782	1.7
177.16353	18.7
183.11685	1.1
185.13217	5.0
187.14787	12.6
188.78699	0.8
189.12714	2.6
189.16345	15.7
190.13373	1.0
191.14272	29.5
191.17911	8.5
192.14648	1.2
193.12209	7.4
193.15875	3.3
197.13315	1.1
199.14848	3.6
201.12637	1.3
201.16362	4.7
203.14348	13.6
203.17929	100.0
204.18253	4.4
205.15872	2.8
205.19489	5.9
213.16296	2.5
215.14203	1.6
215.17931	2.5
217.15872	3.3
217.19498	2.3
221.15340	34.1
221.88054	0.8
225.16325	1.2
227.18040	1.5
229.15813	1.2
229.19522	1.3
231.17433	1.1
231.21004	4.9
235.16948	2.3
243.17418	2.8
243.21039	1.1
247.16945	3.9
255.21155	1.3
257.18927	1.0
267.21072	1.1
347.27390	1.5
365.28439	1.8
380.95544	0.9
389.32111	2.4
395.33157	5.8
407.32935	11.1
425.34079	77.8
426.34546	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.05506	11.5
57.07069	3.4
65.03951	1.5
67.05497	27.0
69.07059	23.2
71.04987	2.2
71.08616	1.8
79.05489	21.2
81.06574	2.8
81.07050	42.7
83.04984	3.1
83.08616	7.5
85.02914	3.0
89.06030	2.4
90.98267	1.3
91.05468	22.3
93.07032	51.1
94.07363	1.5
95.04951	4.7
95.08598	100.0
97.06520	6.2
97.10162	4.2
98.20705	3.3
99.08092	2.0
101.06002	5.6
105.07019	59.4
107.08582	88.3
109.06499	5.1
109.10145	59.3
110.10460	1.9
111.08085	4.3
117.07021	5.3
119.08566	72.5
120.08984	1.5
121.06497	3.2
121.10128	77.9
123.07286	1.3
123.07997	7.5
123.11687	17.6
125.09575	2.0
128.06184	1.4
129.06993	2.8
131.08551	14.3
133.10117	51.4
135.08040	12.1
135.11679	41.6
135.12692	2.5
137.09612	5.9
137.13242	8.6
142.07785	2.2
143.08505	6.9
144.09415	1.7
145.10115	21.7
147.08041	3.4
147.11679	38.6
148.34204	1.4
149.09648	4.1
149.13248	31.6
149.14357	2.8
151.07527	5.4
151.11185	3.4
151.14792	1.8
155.08563	2.1
157.10139	10.4
157.79213	1.5
158.10924	2.2
159.11687	23.4
161.09627	3.4
161.13234	36.8
163.11154	20.8
163.14807	27.2
165.12817	2.2
169.10088	1.5
171.11748	7.1
173.09683	1.5
173.13254	20.2
175.11215	6.5
175.14812	68.8
176.15140	3.4
177.12802	9.5
177.16367	28.4
177.17822	2.5
179.10701	2.5
179.14293	3.0
183.11678	3.2
184.12445	2.6
184.53613	1.4
185.13251	6.6
187.14809	19.1
189.12790	6.9
189.16374	55.2
190.16783	1.4
191.14287	24.1
191.17934	21.2
193.12305	3.0
193.15884	5.3
197.13293	3.3
199.14780	7.9
201.12740	2.6
201.16328	10.9
203.14293	14.8
203.17926	40.5
203.19699	2.6
204.18243	1.6
205.12280	3.4
205.15862	6.1
207.13748	2.6
209.15314	2.2
211.14777	2.4
213.16383	8.4
215.14377	1.7
215.17949	12.0
217.15862	9.6
217.19424	3.7
219.13808	2.5
219.17509	2.0
221.15341	33.7
225.16354	2.8
227.17882	3.3
229.15871	4.0
229.19499	5.4
231.17471	4.4
231.21143	3.7
233.15417	2.3
235.16895	14.6
239.14836	1.6
241.19528	2.0
243.17503	3.0
243.21123	3.5
247.16908	1.5
253.19516	2.2
255.20947	3.6
257.19006	2.0
257.22662	2.4
261.18549	2.8
265.19733	1.4
269.22607	2.4
283.24252	2.0
311.23611	10.1
325.28787	1.9
329.24738	35.0
330.25055	2.0
355.26382	5.2
389.32095	6.0
407.32983	19.5
408.33575	1.7
425.34131	73.0
426.34625	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.33147	0.9
55.05498	6.8
57.07060	2.1
65.03934	0.9
67.05496	13.8
69.03444	0.8
69.06712	1.1
69.07063	13.4
71.04964	1.2
71.07285	2.3
75.50784	0.8
77.03922	1.1
77.99707	0.8
79.05481	14.3
81.07047	28.6
82.02312	1.0
83.04993	1.9
83.08614	6.8
83.72277	0.9
85.06516	1.4
91.05467	14.8
93.07027	28.9
95.04964	2.1
95.08597	47.0
96.08926	0.9
96.61602	0.8
97.06529	1.6
97.10184	1.4
99.08085	2.9
105.07015	38.3
107.08583	47.7
108.08900	0.9
109.06512	3.3
109.10137	26.1
111.08044	2.6
111.11656	0.9
113.09630	0.9
117.07001	5.0
119.08566	47.6
120.08883	1.2
121.06477	1.4
121.10129	37.4
123.08072	3.0
123.11692	9.0
125.09600	1.7
129.06995	3.5
130.07797	1.1
131.08553	24.0
133.10114	31.9
135.08060	3.0
135.11685	18.2
137.09592	1.9
137.13255	7.1
139.11232	0.9
142.07796	1.0
143.08557	5.1
144.09290	1.8
145.10103	38.2
147.11668	39.2
148.12099	1.2
149.09595	2.6
149.13237	29.3
151.11153	2.5
155.08540	1.7
156.09370	1.9
157.10141	7.3
158.10907	1.6
159.11678	28.0
160.12277	1.0
161.13234	14.6
163.11182	6.6
163.14803	30.7
164.15149	1.9
165.12724	1.9
169.10098	2.5
170.11011	1.4
171.11682	8.3
172.12459	1.9
173.13240	21.9
174.13768	1.0
175.11266	1.6
175.14799	20.1
175.16257	1.5
177.12756	2.3
177.16345	11.9
179.10596	0.8
179.14304	1.5
181.12108	0.9
183.11766	2.8
184.12410	1.3
185.13242	9.4
186.13997	1.2
187.14798	35.2
188.15260	1.8
189.16360	18.7
191.14304	3.6
191.17941	3.5
195.13719	1.6
197.13263	2.5
199.14763	7.6
201.16351	53.9
202.16693	2.9
203.14337	2.0
203.17931	22.4
205.15852	26.0
206.16321	0.9
207.13657	1.0
207.17419	3.9
211.14774	1.2
213.16287	7.0
213.26572	0.8
215.14397	1.7
215.17934	9.4
217.19540	2.5
219.17422	6.3
223.16873	17.2
225.16403	1.2
227.17892	6.0
228.18672	1.4
229.19537	5.4
231.17467	3.2
233.18973	1.2
235.17113	1.6
237.18614	1.0
239.17996	2.0
241.19458	4.2
242.20288	1.6
243.21049	2.9
245.19017	2.6
253.19444	1.5
255.21071	11.2
257.19046	1.6
257.22705	1.3
269.22678	4.4
271.20465	1.3
275.20056	4.3
283.20590	1.5
295.24121	1.9
301.21582	12.0
302.22073	1.3
307.19733	0.9
313.25195	1.8
353.28296	1.2
365.28543	1.1
389.32068	5.0
395.33102	2.0
407.33029	17.4
408.33667	1.5
425.34103	100.0
426.34360	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	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03938	2.7
55.05497	11.3
56.96552	2.9
57.07063	2.9
59.38654	1.5
67.05497	24.7
69.03429	3.8
69.07060	13.7
69.91126	10.5
79.05474	19.8
81.07044	54.2
82.90263	1.7
83.04974	2.1
83.08602	7.9
85.06509	3.5
91.05469	21.1
91.11618	2.0
93.07034	41.2
93.79750	1.5
95.04938	5.9
95.08594	76.8
97.06494	4.4
97.10146	3.5
98.21227	4.3
103.48624	1.6
105.07016	50.3
107.08582	73.2
109.06504	2.9
109.10146	41.0
111.08069	4.7
114.76183	1.8
117.07011	7.0
119.08560	61.6
121.06467	3.9
121.10128	45.2
123.08068	4.0
123.11695	12.5
125.09608	10.1
129.06989	5.1
130.07674	2.8
131.08563	24.9
133.10117	38.3
135.08022	3.8
135.11685	21.7
137.09604	4.2
137.13245	5.7
142.07787	3.8
143.08539	13.8
145.10106	38.6
147.08058	1.8
147.11667	29.1
149.09595	3.2
149.12041	2.3
149.13228	38.3
155.08536	3.4
156.09300	2.6
157.10104	16.1
158.10919	2.6
159.11635	24.3
161.09636	2.2
161.13237	18.7
163.11214	4.1
163.14796	31.5
169.10115	5.7
170.10876	2.3
171.11667	13.4
172.12440	2.5
173.13226	27.8
174.85616	1.7
175.11159	4.1
175.14813	36.8
177.12726	2.3
177.16382	20.7
179.14220	2.3
183.11716	4.1
185.13220	9.6
186.13860	1.7
187.14789	26.8
188.15234	2.1
189.12720	2.1
189.16336	17.5
191.14299	11.0
191.17924	7.3
193.15948	5.0
195.11697	3.1
197.13229	6.4
199.14775	11.6
201.16383	18.7
203.14288	5.9
203.17934	28.8
205.15836	5.0
205.19470	2.0
209.13203	2.4
211.14813	4.2
213.16370	14.5
215.14392	3.0
215.17940	25.3
217.15883	5.1
217.19466	1.6
221.15364	9.4
223.14684	2.8
225.16417	4.1
227.17876	10.1
229.15810	3.1
229.19498	7.2
231.21005	2.3
235.16899	2.0
237.16373	4.5
239.17998	3.8
241.19412	9.6
243.17375	2.8
243.20985	8.2
245.18956	2.9
251.17996	2.9
253.19501	2.7
255.21124	6.4
256.40039	2.2
257.19040	2.9
265.19556	3.0
267.21008	2.2
269.22638	2.1
281.22537	4.1
283.20490	2.5
283.24167	2.0
293.22705	3.9
295.24033	2.3
309.25839	4.2
311.23651	10.3
319.24286	2.2
321.25568	2.1
329.24728	4.0
337.25211	3.7
347.15198	3.5
348.15463	3.9
365.16245	5.1
366.16748	4.7
389.31848	10.5
407.33075	65.1
408.33572	6.6
425.34088	100.0
426.34277	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	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05500	9.6
57.03402	1.6
57.07057	3.1
65.03927	1.2
67.05494	17.8
69.03410	1.8
69.07057	17.2
69.61304	9.4
70.23149	1.2
71.04976	1.5
71.08599	1.5
77.03933	1.3
79.05481	15.6
81.07045	32.2
82.07382	1.2
83.08617	9.6
88.88341	1.0
89.06162	0.9
91.05455	17.3
93.07028	40.0
93.07620	2.2
95.04961	3.4
95.08591	56.1
96.08876	1.0
97.06490	1.2
97.10154	3.3
98.20708	1.2
98.21300	3.2
99.08089	1.4
105.07013	65.3
106.07308	1.5
107.08578	66.4
108.08864	2.3
109.06503	3.6
109.10132	39.0
111.08051	3.0
117.06981	7.0
119.08559	71.0
120.64755	1.1
121.06491	1.7
121.10120	50.4
122.10512	1.5
123.08044	4.6
123.11681	12.4
125.09597	1.6
128.06195	1.9
129.07008	1.9
130.07742	2.9
131.08545	27.6
132.08893	1.2
133.10106	48.8
134.10429	1.5
135.08069	2.1
135.11665	22.8
137.09596	2.8
137.13246	2.5
143.08513	7.0
144.09300	1.5
145.10095	50.0
146.10509	2.0
147.11662	42.9
148.12106	1.5
149.09576	2.9
149.13239	50.7
150.13528	1.9
151.11127	2.2
157.10100	11.0
158.10886	2.7
159.11670	38.8
160.12177	1.8
161.09604	1.3
161.13228	31.5
163.11189	7.5
163.14799	24.5
165.12692	2.2
167.92265	1.1
169.10135	1.9
170.10951	1.3
171.11665	9.0
172.12419	2.8
173.13246	30.3
175.14786	37.7
176.15164	1.2
177.12727	3.9
177.16348	19.6
178.16676	1.1
179.10687	2.7
181.12259	2.1
183.11725	2.2
185.13242	8.3
187.13116	2.6
187.14804	47.4
188.15160	2.6
189.12694	2.1
189.16356	32.3
190.16733	1.9
191.14236	10.2
191.17964	5.7
193.15849	1.2
195.13815	5.1
197.13272	1.8
199.14714	7.3
201.16356	90.6
202.16743	3.9
203.17917	100.0
204.18236	4.2
205.15842	22.9
205.17810	1.3
205.19588	2.4
207.17438	4.7
209.13275	1.4
209.15436	1.8
211.14818	2.0
213.16417	4.6
215.14427	1.5
215.17950	11.0
217.15892	5.0
217.19466	16.9
219.17375	6.3
221.15425	5.0
223.14825	1.8
223.16882	21.9
225.16315	1.7
227.17906	2.6
229.19461	6.6
231.17462	2.1
231.21054	1.7
233.18951	2.5
235.16913	8.4
237.18509	1.4
239.17946	1.8
241.19519	2.7
243.17496	1.6
243.21040	1.4
249.18651	1.9
253.19478	1.5
255.21060	5.0
259.20560	1.5
269.22488	1.9
302.87006	1.3
318.18115	1.1
367.00674	1.2
389.31857	6.4
407.33084	18.4
425.34103	73.2
426.34497	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	425.3409
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05505	14.7
55.46922	2.0
57.07047	7.7
67.05505	19.3
69.07061	17.2
70.88333	4.7
70.88667	3.4
72.59055	2.1
79.05482	15.6
80.78507	2.3
81.07048	38.9
83.04948	2.1
83.08601	10.5
85.06525	3.1
89.06004	3.2
91.05463	17.6
93.07034	38.6
95.04925	4.4
95.08598	57.2
97.06511	3.1
97.10148	4.0
99.08080	18.4
105.07017	44.7
107.08580	74.4
109.06490	4.8
109.10146	47.0
111.08054	6.7
111.11708	3.2
117.07010	10.9
119.08562	70.3
121.10128	59.2
122.10490	1.9
123.08044	2.7
123.11681	15.9
125.09616	2.3
127.07603	2.5
129.06985	4.7
131.08545	32.7
133.10118	60.5
135.08041	8.8
135.11679	29.9
137.09634	4.5
137.13248	5.9
142.07751	3.0
143.08524	12.2
145.10106	47.9
147.07947	2.5
147.11679	40.1
149.09618	3.6
149.13222	21.8
155.08554	5.3
157.10126	21.2
159.11679	36.3
161.09641	3.5
161.13237	24.2
163.11179	5.1
163.14775	16.4
169.10155	5.9
170.10869	5.2
171.11668	14.3
173.13239	28.1
173.96227	2.1
175.11191	6.3
175.14799	18.9
177.12740	7.3
177.16386	14.7
179.14224	3.3
183.11697	6.7
184.12468	3.1
185.13214	24.3
187.14796	53.3
189.12845	3.6
189.16341	27.8
191.14340	5.7
191.17920	7.9
197.13223	6.2
199.14827	17.2
201.16367	100.0
202.16748	4.5
203.12503	2.4
203.14261	10.7
203.17953	16.2
205.15887	19.9
207.17390	5.8
211.14786	4.0
213.16322	11.2
215.14308	5.0
215.17970	8.4
217.15903	10.7
217.19447	4.5
219.17346	10.3
223.17010	2.3
225.16440	4.3
227.18013	6.0
229.19476	4.3
231.17490	8.0
241.19301	5.5
243.21062	4.2
245.18898	7.6
255.21046	5.6
257.18881	3.2
267.21136	4.4
285.22256	4.3
289.46680	2.5
323.23431	2.2
325.63095	2.7
339.26736	4.1
341.28461	2.7
353.28326	3.0
356.78156	2.5
376.67719	2.3
389.31931	4.2
395.33099	6.7
397.34637	4.1
407.33014	54.5
408.33401	4.2
425.21722	18.1
425.34109	95.2
426.34268	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3407
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03958	2.8
55.05499	13.5
57.03424	2.4
57.07056	4.3
67.05501	25.7
69.07052	19.7
70.00407	9.4
71.04993	2.9
71.08620	3.3
79.05479	25.0
81.07046	47.2
83.04986	3.9
83.08630	10.0
85.02900	4.1
89.06026	3.0
91.05463	23.2
93.07031	51.4
95.01300	4.3
95.04942	5.7
95.08593	85.4
96.08984	3.2
97.06509	2.9
97.10151	5.9
98.20794	2.6
99.08049	2.5
101.06001	4.3
105.07016	56.6
107.08582	100.0
109.06485	3.8
109.10137	53.7
111.08080	4.7
117.07015	5.7
119.08567	64.7
121.10131	58.4
121.11003	2.8
122.10478	2.1
123.08031	7.1
123.11700	14.7
125.09612	3.2
129.06961	4.3
131.08545	22.6
133.08572	3.4
133.10109	45.6
135.08032	7.5
135.11679	33.7
137.09615	5.4
137.13258	8.4
142.07819	3.4
142.20049	2.2
143.08548	8.5
144.09360	2.7
145.10107	28.0
147.04457	2.5
147.08034	2.8
147.11655	35.1
149.13255	31.0
151.07555	3.2
151.11195	3.3
155.08528	3.3
157.10114	11.3
158.10820	3.0
159.11670	27.7
161.09621	4.3
161.13237	28.0
162.13623	2.1
163.11197	13.7
163.12390	2.1
163.14806	28.7
163.16055	2.9
165.12701	4.4
169.10066	4.5
171.11696	10.9
173.13283	17.9
175.11279	4.2
175.14796	52.6
177.12787	4.6
177.16365	18.9
183.11736	5.2
185.13246	9.0
187.14816	20.6
189.12750	2.6
189.16344	32.5
191.14296	13.7
191.17955	18.8
193.15875	3.8
195.13806	4.6
197.13255	3.5
199.14810	7.6
201.16330	14.7
203.14311	9.1
203.17950	36.8
205.15977	4.9
207.13814	5.3
211.14842	3.5
213.16440	6.2
215.14297	3.0
215.17920	9.5
217.15923	4.2
217.19571	4.2
221.15337	29.2
227.17938	4.0
229.19495	6.7
235.16866	8.1
239.17941	4.8
241.19493	3.5
243.21178	7.2
245.18958	3.6
253.19475	2.8
255.21074	7.8
257.22723	3.8
269.22653	8.1
275.19894	3.0
301.21729	3.2
311.23624	6.8
312.25003	2.4
329.24692	14.6
333.13223	8.1
355.26346	6.6
389.31909	6.7
407.33090	26.8
408.33755	5.8
425.17981	23.3
425.34088	87.4
426.34341	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03931	2.0
55.05506	14.9
57.07070	6.9
67.05499	22.2
69.07060	24.7
71.53622	3.6
73.02527	2.3
79.05479	14.8
81.07046	60.0
83.08598	10.6
91.05466	13.3
93.07029	43.9
95.04984	2.1
95.08596	100.0
97.10176	8.9
105.07008	29.1
107.08578	62.2
109.10141	69.5
111.08106	2.7
111.11687	3.2
119.08562	38.4
121.10123	54.7
123.11686	29.0
125.09631	3.0
131.08513	8.7
133.10127	26.6
135.11678	35.8
137.13239	15.2
139.11220	4.2
145.10086	13.2
147.11655	32.1
149.13235	43.0
151.14764	3.0
159.11691	10.9
161.13242	30.0
163.14815	28.6
165.12753	2.6
173.13266	9.2
175.14804	19.4
177.16351	20.5
179.14339	9.6
187.14827	10.2
189.16389	19.5
191.17929	65.7
201.16362	7.8
203.17941	27.7
205.15875	2.4
205.19485	20.1
207.17439	3.9
213.16478	2.7
215.17892	11.5
217.19498	47.1
219.20888	2.3
221.19090	5.4
229.19489	9.9
231.21042	8.4
233.19040	8.2
235.20461	11.3
241.19618	2.3
243.21176	2.8
245.22517	9.2
247.20683	3.9
247.24130	2.6
255.21266	2.5
257.22675	4.9
269.22546	3.3
297.25766	2.5
330.13235	2.0
338.85645	1.7
393.86581	2.0
407.36768	18.0
408.36862	3.6
425.37747	51.9
426.37851	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03941	1.2
55.05505	6.4
57.07061	3.6
58.98164	0.7
67.05167	1.2
67.05500	17.6
69.07063	19.3
70.82988	0.8
71.29416	0.8
79.05485	5.3
81.07050	35.9
83.08611	6.7
85.06553	1.0
91.05473	4.8
92.05874	0.7
93.07037	18.6
95.04963	1.6
95.08598	62.8
97.06513	2.3
97.10175	3.9
105.07033	15.4
107.08587	36.3
107.09177	0.7
109.10149	51.1
111.08069	2.3
111.11716	6.0
117.06959	1.2
119.08574	21.0
121.10134	32.7
123.08051	2.0
123.11692	21.5
125.09527	1.0
131.08548	3.1
133.10118	20.3
135.11682	25.6
137.13240	15.1
143.06642	0.8
143.08565	1.1
145.10124	8.2
147.11673	13.9
149.13251	14.8
151.11125	1.0
151.14839	1.7
153.12816	0.8
157.10132	1.7
159.11670	9.1
161.13249	14.3
163.14816	12.9
165.12738	0.9
171.11748	1.6
173.13243	6.3
175.14832	10.4
177.12778	1.0
177.16383	7.2
179.14278	3.6
179.17920	1.4
185.13162	1.6
187.14818	5.0
189.16364	14.1
191.17921	18.6
193.19405	0.7
199.14874	1.0
201.16380	5.7
203.17955	10.9
205.15831	1.0
205.19473	10.1
205.21210	1.0
207.17427	4.5
213.16235	1.1
215.17908	9.1
215.19598	0.9
217.19501	10.1
217.68613	0.7
219.17513	1.6
219.21066	2.0
227.17920	1.3
229.19449	4.4
231.21098	4.8
233.19051	3.1
241.19400	1.2
243.21063	5.9
245.22615	12.6
247.20555	11.9
247.24232	0.8
255.21111	2.2
257.22620	2.2
259.24161	2.4
261.22186	3.8
269.22714	3.7
271.24203	5.0
273.25723	1.3
283.24191	1.4
285.25800	3.5
287.23596	1.9
297.25739	2.1
301.25085	1.2
311.27390	0.8
315.26678	0.8
365.32129	0.8
407.36703	18.8
408.37317	0.9
425.37753	100.0
426.38284	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05499	11.3
57.07066	5.0
60.32839	2.4
67.05492	22.3
69.07053	45.1
69.98635	7.6
69.99052	6.6
71.04967	7.6
74.18349	2.8
79.05490	12.7
81.07047	96.3
83.08607	15.9
91.05456	11.2
93.07034	36.1
95.08595	76.1
97.10155	10.8
98.21471	4.1
99.08068	4.6
105.07016	32.1
107.08578	52.7
109.10137	78.5
111.11662	6.5
117.07038	2.9
119.08563	39.0
119.09340	3.7
121.10123	54.7
123.11696	37.7
127.11223	16.1
131.08591	6.2
133.10097	28.0
135.11670	40.8
137.13202	18.9
141.12764	2.8
143.08536	3.1
145.10110	18.1
147.11679	31.4
149.13246	37.0
157.10062	3.2
159.11650	24.5
161.13231	28.4
163.14777	19.4
171.11707	4.2
173.13246	20.2
175.14735	18.6
177.16357	16.1
185.13303	4.2
187.14885	14.7
189.16408	24.4
191.17944	13.1
195.17455	3.9
199.14766	4.2
201.16365	12.8
203.17903	21.6
205.19441	5.6
207.17329	3.9
213.16466	5.6
215.17978	12.3
217.19516	19.2
219.17488	2.9
227.17914	6.5
229.19547	18.9
231.21133	10.0
243.21120	6.4
244.65433	2.8
245.22723	5.6
257.22647	8.7
259.24271	8.1
271.24277	6.3
275.23727	2.8
283.24207	3.8
285.25876	9.7
326.46417	3.1
339.30557	6.2
343.29831	5.6
407.36685	23.5
425.37854	100.0
426.38092	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	13.5
57.07059	4.1
57.34058	4.4
60.33253	3.9
62.68105	4.7
67.05505	20.2
69.07059	32.1
69.79948	27.9
79.05465	15.0
81.07045	64.9
83.08614	16.0
85.07659	4.7
91.05461	12.6
93.07032	42.7
95.04919	4.8
95.08595	89.6
97.10165	6.8
105.07016	23.2
107.08572	63.5
108.62804	3.5
109.10150	62.9
109.10839	7.6
111.08084	7.3
111.11721	9.0
117.07004	4.8
119.08579	37.6
121.10131	61.8
123.08083	4.2
123.11708	42.4
123.13466	5.4
131.08539	6.6
133.10101	38.6
135.11665	44.8
137.13266	23.7
145.10104	16.3
147.11681	27.1
149.13254	22.1
157.10146	5.3
159.11694	15.2
161.13248	24.8
163.14789	26.2
163.99812	4.5
165.63635	4.3
171.11662	3.9
173.13225	15.3
175.14853	25.7
177.16386	20.3
185.13245	4.0
187.14787	11.4
189.16376	29.7
191.17963	13.5
199.14511	5.2
201.16364	13.5
203.17906	14.7
205.19559	8.3
207.17456	6.1
215.17931	17.2
217.19458	14.2
227.17944	8.0
229.19482	8.3
231.20995	13.1
233.19022	5.0
243.21071	15.0
245.22585	11.3
255.21141	7.4
257.22589	8.2
259.24115	8.2
269.22552	11.7
271.24222	13.8
285.25714	8.4
323.27536	6.0
329.28207	9.2
407.36679	37.5
425.21176	4.9
425.37927	100.0
430.29364	4.5
448.45557	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	13.5
57.07062	8.1
67.05500	26.8
68.05808	2.4
69.07069	26.9
71.04986	3.1
71.62828	2.9
72.80243	2.4
79.05480	15.3
81.07047	58.7
81.53476	2.5
83.08620	17.4
85.06524	5.0
86.09687	3.7
91.05466	15.9
93.07030	34.1
95.04975	6.0
95.08594	100.0
96.08909	3.3
97.06501	4.0
97.10157	4.8
99.08136	2.8
105.07018	34.0
107.08575	65.4
109.10147	80.8
111.08057	6.1
111.11700	4.4
117.07006	3.2
119.07784	3.3
119.08575	42.6
121.10130	56.3
123.08078	3.0
123.11708	24.2
125.09607	6.0
127.11227	3.7
129.06979	2.4
131.08530	13.7
132.75661	2.4
133.10118	43.7
133.63495	2.4
135.11671	33.5
136.90829	2.4
137.09575	2.9
137.13251	18.9
137.14165	3.5
143.08563	4.2
145.10104	21.5
147.11670	31.6
149.13249	28.5
157.10100	6.7
159.11674	18.0
161.13228	26.1
163.11195	2.8
163.14806	22.5
171.11649	5.6
173.13216	20.0
175.11142	4.0
175.14803	20.4
177.16377	12.4
179.14302	4.6
183.11655	3.8
185.13240	5.7
187.14780	16.0
189.16357	50.5
191.14299	3.8
191.17929	26.3
199.14769	9.3
201.16399	10.2
203.17929	25.4
205.15833	4.5
205.19522	6.9
207.17505	4.8
213.16389	7.0
215.14240	2.7
215.18005	12.9
217.19592	18.0
217.83003	2.6
221.15259	3.0
227.17917	4.5
229.19489	6.6
233.18900	3.0
241.19476	3.6
243.21101	6.6
245.05096	4.1
245.22653	5.1
255.21107	6.4
257.22650	8.1
269.22568	5.6
271.24396	5.1
283.23865	4.5
287.23682	3.6
297.25876	3.4
301.25223	3.4
311.23575	2.5
329.28400	5.1
389.32031	4.1
407.32712	7.5
407.37265	21.3
425.33435	18.2
425.38586	69.4
426.38672	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.102
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
50.69975	0.7
50.70215	0.6
52.56318	0.7
55.01857	3.2
62.87553	0.6
65.03935	1.0
67.05486	1.6
68.99776	5.8
69.03412	0.8
70.06573	0.8
71.01302	0.9
79.21039	0.6
80.63673	0.5
81.03382	0.5
83.04968	1.0
85.02876	1.1
85.18335	0.6
87.24409	0.6
91.05479	1.0
93.03416	0.9
93.07059	0.7
95.04944	2.5
97.02840	0.7
105.03401	1.5
107.04953	1.7
111.00792	2.5
111.04440	3.4
115.05477	0.7
119.04916	1.2
121.02850	2.2
123.04414	53.5
127.03880	3.3
130.15248	0.6
131.04932	1.0
135.04405	14.2
137.02318	0.8
137.05981	2.0
139.03886	100.0
140.04251	1.2
141.01761	0.9
145.02843	1.3
145.06448	1.4
147.04414	4.1
149.02313	1.2
149.05974	1.4
150.07739	22.5
151.03905	5.9
153.01785	0.8
153.06981	1.1
157.06448	0.6
159.04364	1.5
161.02377	0.9
161.05943	1.8
163.03893	19.0
165.05437	3.5
167.03383	11.0
167.04738	1.3
173.05963	1.7
175.03882	7.1
177.05466	5.4
179.03386	8.9
181.04980	0.7
181.06487	1.6
185.06038	1.3
187.03920	3.5
189.05482	3.7
191.03374	25.1
193.04945	9.2
199.03813	0.6
201.05452	7.2
203.01497	1.0
203.03375	18.8
203.07054	1.1
203.12741	1.1
205.04933	3.6
209.05919	0.8
213.05441	3.3
215.03400	1.9
217.04932	4.6
227.03442	0.9
227.07062	1.4
229.04953	10.4
231.06500	1.1
233.04427	10.1
237.05464	1.1
241.04965	2.4
245.04419	14.4
247.06006	15.6
251.05502	3.9
255.06479	4.9
257.04416	16.2
258.05066	1.2
259.05972	8.7
265.04880	0.7
265.07782	0.6
269.04456	2.2
271.05978	3.8
275.05463	33.7
283.05981	15.7
283.08997	1.0
284.06607	0.7
287.05472	57.1
288.05753	1.3
292.84396	0.6
295.11508	4.7
299.05518	4.0
301.07040	17.7
335.78937	0.6
388.95883	0.7
391.08618	0.7
409.09116	22.7
410.09607	0.8
427.10107	2.6
427.19476	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01856	3.9
55.05501	16.2
57.03435	5.8
57.07069	1.4
59.04990	3.4
60.38675	0.8
61.02915	5.7
65.48347	0.9
67.05493	5.2
69.03420	19.4
69.07059	8.2
70.06583	1.8
71.04979	3.7
71.63283	1.6
73.02898	3.0
79.05489	3.8
79.32838	0.8
81.03419	8.0
81.07039	9.3
83.04967	22.0
83.08614	3.2
85.02895	42.9
85.06519	2.2
87.04451	2.5
91.03934	1.6
91.05466	5.3
93.07035	6.9
93.85945	0.9
95.04951	26.4
95.08613	7.7
97.02873	13.5
97.06525	3.4
99.04446	3.0
99.08070	1.3
101.06007	10.8
105.07008	10.3
106.40660	1.1
107.04947	1.4
107.08580	11.5
109.02875	5.6
109.06499	9.1
109.10142	8.0
111.04404	1.3
111.08083	1.3
117.07005	3.2
119.04932	2.3
119.08562	8.5
121.06491	4.0
121.10110	9.0
121.10804	1.0
123.04405	1.0
123.08038	2.5
123.11686	4.6
125.05976	2.6
127.03897	8.2
129.06940	1.3
131.08560	5.9
131.51483	0.8
133.10110	7.5
135.08046	8.4
135.11664	8.5
137.05910	1.2
137.09607	1.7
139.03909	2.0
139.07518	1.0
141.06903	1.0
143.07018	1.1
143.08565	3.1
145.04958	5.5
145.10114	9.3
147.04393	3.1
147.07999	1.9
147.11670	8.7
149.09627	5.5
151.07527	2.6
151.11076	0.9
153.19000	0.9
155.08459	1.0
157.10095	3.1
159.08058	4.1
159.11682	5.0
161.09622	3.9
161.13283	3.3
163.03891	0.9
163.11148	9.4
163.14751	1.1
165.12732	58.1
166.13113	1.3
167.07108	1.3
169.08669	0.9
169.10078	1.7
171.11716	4.3
173.09616	2.7
173.13335	2.9
175.14728	1.9
177.09059	6.5
177.12764	1.6
183.11627	0.9
185.13242	1.1
187.14824	5.4
189.12700	4.1
191.10620	6.1
191.14290	1.0
195.10155	1.1
197.13376	1.3
201.16386	2.4
203.14409	1.8
205.15816	6.8
211.14894	1.5
219.17383	1.6
229.15863	3.7
247.16890	36.7
265.17953	100.0
266.18350	3.5
409.17105	1.3
409.22232	1.7
427.17432	4.6
427.23221	10.8
427.28391	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01862	3.1
55.05504	15.6
57.03430	5.0
57.07075	1.0
59.04997	5.1
61.02924	5.1
65.03947	1.2
67.05493	3.7
69.03419	20.4
69.07059	7.7
70.75545	2.2
71.04971	3.0
73.02898	2.3
79.05486	4.3
81.03410	6.7
81.07048	7.7
83.01316	0.9
83.04971	23.2
83.08614	2.4
85.02895	43.4
85.06526	1.4
87.04458	2.7
88.77775	0.7
91.03948	1.8
91.05469	5.6
93.07037	7.2
95.04955	26.1
95.08592	8.3
96.23722	0.8
97.02869	12.0
97.06526	1.8
98.21135	1.7
99.04439	2.0
101.06007	12.0
105.07018	8.2
107.08566	10.5
109.02862	3.5
109.06491	8.6
109.10135	7.1
111.04454	1.5
117.07030	2.2
119.04930	2.1
119.08585	6.1
121.06495	2.5
121.10134	6.7
122.45493	0.7
123.04397	0.9
123.08090	1.6
123.11709	4.5
125.05988	1.6
126.63063	0.8
127.03897	8.7
129.06998	1.1
131.08560	4.4
133.10115	3.3
135.08023	8.2
135.11661	8.6
137.05946	2.1
137.09636	1.2
137.13266	1.1
139.03896	3.8
143.08554	1.9
145.04941	4.3
145.06273	0.7
145.10100	8.4
147.08083	1.6
147.11681	6.3
149.09540	4.0
149.13303	0.9
151.03964	1.0
151.07524	2.4
157.10132	1.1
159.07974	4.1
159.11653	2.9
161.09630	2.6
161.13251	2.6
163.07504	1.1
163.11177	7.0
165.12740	58.0
166.13060	1.4
169.10036	1.1
171.11699	2.4
173.09663	2.4
173.13264	2.0
175.14865	1.9
177.09071	6.8
179.10684	0.9
185.13272	1.6
187.11157	1.1
187.14725	4.2
189.12802	4.8
191.10617	6.0
191.14417	1.1
195.10156	1.3
196.12523	0.9
201.16373	2.3
203.14270	0.8
205.12206	1.2
205.15886	6.9
211.14818	0.9
217.15887	1.7
229.15826	4.5
235.16936	1.4
247.16910	34.1
248.17365	1.5
265.17953	100.0
266.18430	1.8
321.10944	1.0
364.63870	0.8
398.91885	0.9
409.21872	0.9
427.18130	2.6
427.23416	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67137	2.5
55.05497	11.6
56.12071	3.0
57.07064	5.3
63.31041	2.3
67.05492	19.3
68.10564	2.4
69.07059	19.2
70.56704	2.6
71.62290	4.3
79.05471	16.9
81.07043	40.7
83.08597	11.2
83.30090	2.9
85.06559	3.8
86.09747	2.7
91.05457	13.5
93.07030	34.9
95.04961	5.0
95.08591	74.4
96.08927	3.9
97.06555	3.2
97.10159	8.1
105.07013	47.2
107.08582	55.0
109.10138	48.4
111.08071	4.1
111.11668	3.3
117.06995	5.2
119.08569	48.6
121.10127	54.0
123.08051	6.0
123.11675	17.2
131.08548	9.0
133.10104	40.9
134.19975	2.8
135.08022	5.4
135.11667	28.5
137.13249	4.8
143.08554	4.8
145.10109	19.5
147.11661	33.5
149.09604	5.1
149.13216	19.9
157.10008	5.8
159.11659	17.5
161.13237	24.6
163.11177	6.8
163.14804	24.6
165.16405	3.8
171.11682	5.8
173.13254	8.4
174.39445	2.8
175.14804	27.8
177.12840	3.4
177.16374	19.4
185.13280	3.3
187.14798	24.8
189.16356	26.6
191.17932	30.4
199.14722	6.0
201.16386	20.8
203.12756	5.8
203.17932	100.0
204.18318	4.5
205.15857	26.6
205.19582	3.2
213.16360	8.8
215.17865	5.3
217.19463	4.3
219.17407	7.4
223.16948	8.3
227.17952	3.1
229.19469	5.3
231.17403	6.7
231.20953	6.7
249.18570	5.1
257.22540	6.2
306.13312	3.4
311.35022	2.5
317.23221	3.4
391.33441	13.4
409.30420	2.6
409.34689	30.3
427.16922	14.5
427.35690	38.6
428.16873	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.05494	11.2
55.71243	1.5
57.07064	4.5
63.22709	1.5
67.05490	29.8
69.03425	2.2
69.07059	20.3
69.60329	10.6
71.08630	1.9
79.05486	22.4
81.07043	49.3
83.04966	3.5
83.08620	8.9
85.06540	2.6
91.05460	16.5
93.07036	39.5
95.04927	2.1
95.08593	100.0
97.06519	3.0
97.10139	4.3
98.21384	3.7
105.07014	46.5
106.07357	1.8
107.08580	77.1
109.06490	6.7
109.10139	69.8
110.10447	2.6
111.08097	4.5
111.11691	2.1
117.06985	4.3
119.08560	56.7
121.06528	1.6
121.10121	56.5
123.08067	4.2
123.11705	21.8
125.09624	1.9
131.08524	11.9
133.10115	41.8
133.11072	3.1
135.08064	4.7
135.11676	39.2
137.13248	6.7
143.08527	4.2
145.10097	25.3
147.11659	31.1
149.09625	5.4
149.13245	20.7
151.11194	3.4
151.14801	1.8
157.10146	9.2
158.10860	2.0
159.11661	24.1
161.09605	1.7
161.13223	44.3
163.11186	5.1
163.14810	25.0
165.16336	4.2
169.10095	2.6
171.11661	6.5
173.13211	13.7
175.14798	45.3
176.15172	1.7
177.12766	4.7
177.16339	24.1
179.14360	3.1
179.17877	1.6
183.11719	2.3
185.13243	6.0
187.14772	20.7
189.12764	1.9
189.16339	23.0
189.17892	2.3
191.14287	5.7
191.17902	21.0
193.15729	2.7
195.13687	3.6
197.13118	2.0
199.14789	5.9
201.16362	13.9
203.12709	1.9
203.17923	76.2
204.18347	2.6
205.15860	33.3
205.19319	2.1
207.13783	1.7
207.17380	4.1
213.16280	7.4
215.17900	5.9
217.15924	3.2
217.19452	4.8
219.17415	8.6
223.16904	19.6
225.16411	1.9
227.17935	2.4
229.19440	4.2
231.10880	1.6
231.17430	6.4
231.21092	5.0
235.17038	2.1
241.03229	1.7
241.19595	3.3
241.45149	1.6
243.21107	3.0
245.19006	3.1
249.18478	2.6
255.21098	3.6
257.22665	4.7
259.20541	2.6
267.20984	1.9
285.22302	1.8
285.25507	2.7
295.24048	7.4
295.42239	1.7
311.27423	2.1
313.25159	18.2
331.26202	11.5
339.26746	2.5
347.90030	1.8
357.27911	3.4
391.33698	8.2
409.34665	21.3
427.19485	2.4
427.35922	31.8
428.36087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.05514	11.5
57.07058	3.1
64.05290	1.9
65.03904	2.2
67.05499	14.8
69.07059	16.8
70.88373	3.0
73.77073	1.4
79.05486	18.7
81.07047	32.0
83.08595	7.2
85.06559	1.8
85.57834	1.7
86.09696	83.8
91.05460	12.1
93.07036	28.0
95.04938	2.5
95.08597	72.6
97.10177	3.5
105.07018	32.6
107.08583	69.2
108.08867	1.6
109.06525	3.2
109.09440	2.8
109.10151	40.1
109.10893	1.9
111.08076	1.7
117.06967	2.2
119.08569	38.1
121.10130	47.7
123.08083	2.3
123.11699	7.8
131.08553	7.8
133.10130	33.1
135.08035	2.1
135.11674	24.0
137.09630	1.7
137.13185	2.8
143.08553	1.8
145.10123	16.6
147.11679	25.8
148.12103	1.9
149.09596	2.8
149.13239	18.0
151.80240	1.7
157.10091	1.9
159.11668	16.2
161.13239	22.9
162.76236	1.7
163.11147	5.2
163.14774	19.3
171.11696	3.2
173.13229	6.5
175.14818	25.2
177.12738	4.2
177.16339	20.2
186.14874	62.0
187.14854	17.7
189.12674	2.1
189.16396	14.0
191.17969	14.0
195.13805	4.4
199.14761	5.2
201.16417	8.8
203.17940	100.0
205.15851	32.7
205.19466	3.0
213.16391	2.4
214.14375	22.6
215.17973	4.2
217.15881	2.4
217.19565	3.4
219.17415	6.5
223.16930	25.8
229.19553	3.0
231.17360	2.2
231.21022	4.2
241.19432	2.4
243.21129	2.0
245.18985	2.4
249.18416	2.2
257.22513	2.0
277.83582	2.0
295.24319	3.4
313.25241	4.5
314.19620	11.8
321.25488	1.7
391.33444	4.8
399.28403	7.4
409.34644	17.5
427.35632	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	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05500	10.9
57.07069	5.6
67.05492	27.4
67.05821	2.0
67.95393	1.0
69.07053	19.3
69.07394	1.4
71.16287	3.3
72.04507	2.8
77.39032	1.4
79.05484	21.4
80.52502	1.1
81.07050	46.6
83.04983	3.9
83.08604	9.1
85.06546	1.9
91.05466	16.4
93.07033	38.9
93.07607	2.0
95.04964	2.5
95.08595	100.0
96.08949	1.7
97.06567	2.2
97.10181	4.2
99.08032	1.6
105.07020	45.8
107.05014	1.5
107.08580	72.5
109.06538	4.7
109.10146	65.6
109.10905	2.7
110.92555	1.2
111.08083	3.7
111.11752	1.4
115.05415	1.6
117.07024	4.5
119.08568	59.5
120.08923	1.9
121.06545	2.9
121.10131	52.6
122.10471	1.2
123.08071	4.2
123.11702	19.2
129.07028	2.0
130.07765	1.8
131.08545	11.6
133.10114	40.3
135.08083	5.1
135.11670	33.9
136.11993	1.9
137.09642	2.3
137.13286	5.3
143.08575	5.0
145.10110	22.5
147.11676	29.3
147.12741	2.4
148.12050	1.6
149.09654	5.3
149.13229	26.5
149.14339	1.6
151.11148	2.2
157.10083	6.0
159.11670	19.9
161.13232	33.2
163.11118	5.8
163.14795	23.1
165.12776	4.2
165.16464	3.1
171.11705	4.0
172.12506	1.8
173.13222	11.8
175.11314	1.8
175.14810	46.8
176.15044	1.6
177.12802	2.8
177.16357	25.4
177.17784	1.6
179.14391	1.4
183.11708	2.9
185.13344	4.6
187.14783	17.6
189.16360	23.3
191.14362	5.0
191.17955	15.0
193.15901	1.2
195.13803	4.1
197.13312	2.6
199.14861	5.1
201.16367	13.1
203.14499	3.4
203.17931	68.2
204.16534	1.2
204.18324	1.9
205.15874	30.6
205.19473	2.4
207.17450	4.0
213.16307	5.7
215.17967	8.3
217.15961	3.7
217.19586	5.1
219.17430	6.6
221.15376	2.1
223.16891	13.5
225.16316	1.7
227.17966	3.9
229.19569	4.0
231.17438	3.0
231.21057	7.1
235.16873	1.9
239.18102	1.4
241.19591	3.8
243.21098	2.3
245.19011	2.1
249.18518	3.9
253.19638	1.4
255.21094	3.1
257.22629	3.6
259.20474	1.5
263.20062	1.5
267.21100	1.3
271.20248	1.2
277.21646	1.9
285.25720	3.0
290.80634	1.3
295.24127	8.8
311.27185	1.2
313.25302	11.8
331.26236	10.8
339.26917	2.2
357.27927	3.7
381.34903	1.2
391.33527	7.9
409.34683	19.5
410.35178	1.8
427.35760	42.8
428.35846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01872	0.5
55.05504	0.7
56.96554	0.5
57.03428	0.5
61.02910	0.5
65.03946	0.6
67.05497	0.9
67.44744	0.3
68.76714	0.4
69.03423	1.6
69.07043	0.8
71.04995	0.5
71.61114	0.7
73.02883	0.4
73.04779	0.3
74.95824	0.3
79.05490	1.2
81.03409	1.3
81.07045	1.7
83.04955	0.4
85.02908	2.2
86.09706	0.4
87.23539	0.4
91.05457	4.6
93.07037	1.4
95.04967	0.9
95.08594	1.0
97.02884	1.6
97.06543	0.7
99.04446	0.5
102.63889	0.3
102.74379	0.4
105.07029	1.5
107.04956	0.8
107.08586	1.2
109.02878	0.7
109.06538	0.5
109.10124	0.5
117.06976	0.4
119.08595	0.9
121.06514	0.6
121.10093	0.9
127.03902	0.8
128.98567	0.4
131.04926	0.6
131.08566	0.6
133.10133	0.9
135.11674	0.4
137.06007	0.4
139.03882	0.6
145.04903	0.5
145.10114	0.6
147.11699	0.5
149.09648	0.6
151.07532	0.8
151.18330	0.4
153.01813	1.1
153.54240	0.4
157.10089	0.6
163.03923	0.7
163.11093	0.6
165.12773	0.7
167.07021	0.8
169.10118	0.4
169.11983	0.4
171.11719	0.7
173.06009	0.4
175.07553	0.7
176.00826	0.8
177.09045	0.5
185.04210	4.7
187.14738	0.4
189.05394	0.4
191.07034	0.4
213.05547	0.6
217.05096	0.5
243.06598	1.0
257.08041	0.6
266.05444	2.2
267.06284	4.3
267.15887	0.8
267.18625	0.5
284.27884	0.4
297.07425	0.4
325.07162	0.4
337.14294	0.5
359.02655	0.4
371.07599	4.1
397.09048	1.8
429.11578	100.0
429.17874	5.2
430.11835	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	429.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	21.6
61.91574	2.4
69.03417	3.8
70.06571	7.0
71.15020	6.2
76.13332	2.7
83.83104	2.3
85.02904	3.8
86.09690	3.4
94.85196	2.3
98.97560	16.0
99.08102	4.7
100.99147	3.0
105.88766	2.8
107.08543	3.0
115.25900	2.5
116.98606	12.5
123.00552	2.4
128.98625	4.3
134.99638	5.6
146.99638	5.6
158.34039	2.5
158.99599	2.6
167.05608	2.9
177.00671	2.8
200.02402	3.0
219.01753	3.8
237.02859	15.9
265.11118	2.4
267.12625	7.8
285.13754	13.2
329.65585	2.4
359.02844	3.1
365.50436	2.8
411.16702	6.0
416.48151	2.9
429.18307	100.0
430.19656	3.1
447.18979	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	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.2
66.42125	0.2
69.03408	0.5
70.06568	1.0
70.42521	0.3
71.15502	0.7
72.08105	0.4
74.06068	0.3
77.28580	0.2
84.08127	0.3
85.02892	0.5
86.09695	0.3
91.05808	0.4
92.71034	0.3
99.05731	0.3
107.08593	0.3
109.06500	0.3
123.04376	0.5
127.03941	0.5
139.03894	0.7
143.01845	0.4
147.04474	0.6
161.02911	0.4
163.03902	0.4
167.05521	0.3
177.05450	0.5
191.10518	0.5
203.05293	1.9
228.36494	0.2
249.14574	0.6
259.04443	0.3
288.38629	0.3
303.53513	0.3
309.15469	0.4
371.16809	1.1
429.20941	100.0
430.21268	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
55.01866	4.5
55.05508	20.3
57.03431	9.1
57.07059	8.1
67.05495	26.5
69.03420	30.2
69.07065	17.9
71.04985	8.3
71.08618	3.0
71.63154	2.5
77.03934	1.9
79.05483	17.9
80.75222	1.6
81.03408	73.1
81.07050	45.6
83.04981	19.8
83.08602	25.5
85.02896	20.4
85.06558	2.8
85.10231	2.6
91.05463	24.5
93.07039	31.2
95.04963	20.3
95.08597	58.8
97.02884	49.2
97.06521	5.5
97.10165	8.2
99.04451	7.0
100.21851	1.8
105.07008	31.0
107.04952	3.8
107.08578	58.7
107.09280	3.4
109.02868	13.4
109.06522	3.3
109.10143	40.8
111.04440	6.8
111.08071	8.7
117.06985	4.6
119.08569	49.9
119.09438	2.6
121.06497	3.5
121.10132	48.1
123.08040	5.2
123.11694	33.1
125.09611	65.3
127.03893	11.2
129.05479	7.0
129.06998	5.6
131.08549	15.5
133.10114	31.0
133.11060	2.3
134.01721	2.0
135.11673	25.6
137.13231	11.4
139.11169	2.1
145.10112	22.5
147.11681	23.8
149.09625	6.8
149.13264	11.8
151.14882	10.5
153.09157	3.9
153.12729	8.0
157.10100	12.7
159.11653	11.6
161.13280	9.1
163.11194	10.1
163.14821	17.3
165.12730	3.6
165.16429	4.5
172.12355	2.2
173.13266	6.6
175.11183	11.9
175.14833	12.8
177.09097	6.1
177.16344	17.2
179.10588	1.9
181.12231	2.5
181.15836	17.8
187.14798	28.4
189.16370	20.1
191.10672	4.4
191.17932	8.8
193.12219	51.3
193.15915	6.7
195.17468	7.6
201.16403	26.3
203.17876	28.7
205.15900	2.9
207.17488	3.0
209.19006	5.3
211.13264	100.0
213.16235	2.5
215.17917	15.7
218.44577	2.0
227.12846	4.2
227.18063	2.1
229.14220	4.7
229.19519	7.0
231.17760	2.3
235.16978	5.0
247.16951	23.2
249.14894	6.4
249.18549	3.2
261.18570	5.9
265.14270	2.1
267.15811	2.4
285.17004	8.7
287.23819	4.8
309.96240	2.3
355.17639	5.4
365.31827	3.0
379.77911	2.1
383.33011	22.4
411.20410	3.1
411.32819	8.0
429.21207	76.8
429.31689	48.4
430.21414	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03945	5.7
55.01866	4.2
55.05505	14.3
56.96554	1.1
57.03179	1.3
57.03431	13.4
59.04984	1.1
61.02922	1.3
65.03929	1.6
67.05498	18.6
69.03423	23.0
69.07057	4.7
71.04993	5.7
73.02895	4.2
79.05486	12.8
81.03408	75.6
81.07047	17.5
83.04978	16.8
83.08611	19.8
85.02892	21.2
85.06523	2.1
87.04456	1.6
90.99851	1.1
91.05460	16.3
93.07030	10.5
94.76013	1.1
95.04960	21.3
95.08602	6.8
97.02880	43.5
97.06527	5.0
97.10134	5.4
98.20786	3.2
99.04443	4.8
99.08090	1.3
101.02362	2.6
103.03941	1.7
105.07022	15.0
107.04919	6.7
107.08568	7.9
109.02863	8.8
109.06506	3.9
109.10142	2.8
111.04426	8.4
111.08065	9.5
113.05978	2.2
115.05460	1.4
117.06998	3.9
119.08569	14.5
121.06473	2.5
121.10133	8.3
123.04420	1.2
123.08086	2.4
125.09650	2.9
127.03031	1.9
127.03897	12.6
129.05470	4.7
129.06975	7.7
131.08569	9.6
133.06519	4.2
133.10100	7.0
135.08066	4.8
135.11691	3.4
137.05997	1.4
137.09608	2.2
143.08574	2.3
145.04971	1.8
145.10117	4.5
147.04335	1.3
147.07999	2.0
147.11662	13.3
149.02325	1.7
149.09610	6.5
151.03899	3.5
151.07600	1.9
153.12648	2.2
157.10098	13.6
159.11615	1.8
161.09659	2.1
163.11151	3.1
165.12776	3.1
171.11673	1.3
173.09607	1.6
175.11169	16.1
175.14835	1.6
181.12209	2.2
183.06535	3.1
183.11653	1.2
189.11250	1.7
189.12781	1.6
191.10678	3.8
193.04988	2.1
193.12225	59.1
199.11342	1.4
201.07620	2.0
203.14288	2.0
205.12138	1.4
211.13258	100.0
212.13637	2.1
219.10173	1.5
223.79587	1.3
227.12750	5.0
229.14296	5.2
235.13292	2.5
249.14836	7.0
267.15955	3.1
283.15472	1.7
285.16931	19.2
301.14273	2.8
309.16949	1.4
313.16455	3.2
319.15430	1.7
337.16504	3.1
355.17526	5.0
362.46448	1.1
381.18817	1.1
393.19113	2.7
411.20108	7.7
429.21167	93.1
429.29861	12.5
430.21634	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	429.2113
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.24724	1.4
53.03936	3.3
55.01873	5.7
55.05498	8.2
55.86388	1.2
57.03434	14.8
59.05019	1.4
61.02917	17.5
65.03937	1.2
67.05494	21.0
69.03429	11.8
69.07067	3.2
70.06588	3.7
71.01352	5.1
71.04987	5.0
71.61377	1.4
71.61806	2.0
73.02912	10.5
73.39240	1.2
75.04453	2.2
79.05479	21.6
81.03408	45.9
81.07047	20.0
81.07440	1.7
83.04982	7.1
83.08620	9.4
83.24506	1.2
84.08154	1.6
85.02895	25.8
85.06530	3.0
86.09699	2.3
87.04514	1.7
91.03954	7.2
91.05450	15.7
93.07025	15.1
94.97189	1.4
95.01343	2.0
95.04958	44.3
95.05540	2.5
95.08590	6.7
97.02876	20.9
97.06517	3.2
97.10180	4.1
99.04437	3.5
101.02376	3.8
103.03922	6.6
103.05468	1.7
105.07004	14.6
107.04951	14.4
107.08571	11.4
109.02865	10.1
109.06516	6.1
109.10161	3.8
111.04450	5.0
111.08079	5.1
115.05428	2.5
117.07014	7.1
119.04907	2.2
119.08569	10.9
121.02950	1.9
121.06520	8.5
121.10098	8.6
123.04410	29.6
123.08093	2.3
123.11781	2.1
125.09597	3.0
127.03886	8.2
128.06299	1.8
129.05505	2.1
129.06979	7.7
131.04939	4.1
131.08517	8.9
133.06488	5.1
133.10094	6.6
135.04439	2.1
135.08052	4.8
135.11668	6.4
137.06017	6.4
137.09593	2.8
139.03864	2.1
139.85002	1.2
141.05476	1.4
142.07768	1.6
143.08569	4.9
145.05026	2.6
145.06381	2.7
145.10095	11.1
147.04372	10.0
147.08066	5.9
147.11670	7.7
149.06007	4.0
149.09624	5.0
153.09076	3.6
157.10135	5.6
159.11723	2.5
160.30571	1.3
161.06036	3.9
161.09642	4.7
163.03938	3.3
163.07622	1.5
163.11151	11.2
165.12778	2.7
167.05588	1.7
167.07030	2.7
171.08009	2.9
171.11734	4.5
173.05972	2.9
173.09637	4.6
175.07591	2.7
175.11230	5.7
177.12848	2.5
187.11246	1.6
189.05524	3.2
189.11279	1.4
189.12778	5.9
191.10664	2.4
193.12201	16.1
199.11180	2.9
203.05298	2.9
203.10678	1.6
205.12271	4.4
207.13866	5.5
211.13223	8.8
213.12782	2.3
217.12276	4.7
219.13843	1.6
225.09715	2.4
231.13768	2.3
235.13272	46.0
241.12923	3.2
243.10800	4.7
245.15396	1.8
249.14870	6.1
253.14362	4.5
255.13863	1.9
259.13251	12.6
267.12051	13.2
267.15927	20.9
267.19150	1.9
273.14850	14.7
277.14429	6.1
283.09842	2.2
283.13165	2.0
285.11700	4.5
285.16846	1.7
289.14307	2.9
291.16104	2.0
301.14307	17.5
309.11728	2.6
309.16953	26.2
319.15317	5.0
333.16861	4.5
337.16614	2.7
345.16943	2.4
351.17758	2.6
355.17172	4.4
357.17181	1.9
363.18341	1.7
367.17145	2.6
369.15021	1.4
375.17950	14.7
393.19205	11.3
411.20111	10.0
429.17084	100.0
429.21222	93.8
430.17514	5.5
430.22366	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.02380	1.0
53.03946	7.2
55.01860	3.8
55.05503	10.2
57.03433	15.1
61.02909	2.2
65.03918	1.2
66.73435	0.9
67.05161	1.2
67.05500	16.4
69.03065	1.5
69.03423	22.5
69.07066	4.5
69.50775	5.3
69.51203	2.1
71.01353	1.5
71.04980	8.0
73.02910	2.6
79.05486	15.4
81.03410	72.0
81.07052	19.4
83.04971	13.4
83.08607	18.4
85.02894	19.5
85.06535	1.8
86.09717	1.2
86.19949	0.9
87.04472	1.5
91.05469	18.2
93.07041	11.5
94.17130	0.9
95.04965	20.4
95.08591	6.7
97.02883	41.5
97.06516	3.8
97.10172	4.5
98.20733	1.2
99.04457	5.2
99.18661	0.8
101.02377	2.1
103.03930	1.8
105.07026	17.1
107.04946	6.8
107.08598	8.7
109.02868	12.4
109.06503	4.4
109.10153	2.6
111.04465	6.1
111.08065	9.5
117.07011	2.9
119.08573	15.9
121.06504	2.6
121.10131	6.8
123.04446	2.8
123.08086	1.9
123.11724	2.3
125.09612	2.9
127.03918	14.2
128.06320	0.9
129.05466	2.5
129.06982	6.6
131.08569	8.0
133.06485	3.4
133.10124	8.4
135.08052	1.9
135.11719	1.6
137.05943	1.2
141.05522	1.1
142.07793	1.9
145.04926	1.7
145.06445	1.3
145.10132	4.0
147.04398	1.3
147.08078	2.6
147.11671	14.6
149.09589	4.7
151.07542	1.0
151.80624	0.9
157.10091	11.5
163.11201	3.0
165.12735	5.4
171.11726	1.1
173.09599	1.5
175.11174	11.0
181.12288	2.2
183.06522	2.8
191.10785	1.9
193.12233	49.2
194.12665	1.8
201.07558	1.4
211.13277	74.3
227.12804	3.5
229.14345	3.9
235.13315	3.3
249.14874	7.2
255.13753	1.1
259.13275	1.1
267.15979	7.6
273.14969	2.1
277.14337	1.4
285.16940	16.6
291.15958	1.0
301.14310	2.6
309.16995	1.8
313.16541	2.4
319.15308	1.9
337.16367	2.7
351.18027	2.3
355.17566	3.4
393.18982	2.6
399.91080	1.0
411.20181	7.6
429.21161	100.0
430.21506	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	429.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.05511	3.4
57.03424	6.9
57.07062	0.9
67.05494	9.5
69.03418	2.5
69.07051	2.7
71.04973	0.6
71.62093	1.2
74.22318	0.6
79.05488	9.3
80.05833	0.6
81.03416	3.8
81.07044	12.4
83.04989	1.2
83.08604	2.2
85.02888	2.0
85.06539	0.7
85.44118	0.6
90.50903	0.6
91.05454	6.7
91.38885	0.6
93.07028	11.6
95.04945	2.6
95.08595	10.2
97.02875	2.7
97.06499	1.2
97.10118	1.0
98.17931	0.7
98.62363	0.7
99.08086	0.8
105.07016	5.8
107.08581	9.0
109.02871	1.4
109.06522	0.8
109.10159	3.7
111.08076	0.9
113.00002	100.0
117.07039	1.7
119.08558	5.2
121.06467	0.8
121.10124	6.8
122.43712	0.7
123.11686	2.8
127.03826	0.8
131.01060	1.2
131.08553	5.3
133.10117	3.6
135.08041	0.8
135.11665	5.2
145.10129	4.1
147.11656	3.2
149.09622	1.3
149.13263	4.6
154.02628	1.1
155.01025	0.8
157.10124	1.1
159.11647	2.6
161.13208	2.2
163.14822	3.3
167.05556	0.6
169.02591	91.7
170.02867	0.7
173.13248	2.9
175.11148	0.8
175.14789	1.2
177.16380	1.0
179.14279	0.8
186.26057	0.7
187.14799	2.3
193.12244	3.6
205.15872	0.8
211.13283	5.7
227.12869	0.7
233.22624	1.5
243.21046	9.3
261.19345	1.4
261.22089	21.5
262.22516	0.8
275.23660	0.9
301.03769	0.6
347.81314	0.6
366.92914	0.7
429.20615	3.1
429.28958	0.8
429.34094	0.8
442.25278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.4
55.01849	5.4
55.05502	24.9
57.03424	13.4
57.07058	10.6
61.31199	3.2
65.23165	3.6
67.05505	32.7
69.03419	26.9
69.07059	33.6
69.99385	3.7
71.04979	11.0
73.06524	4.1
79.05478	28.5
81.03407	74.7
81.07050	66.5
83.01279	3.9
83.04977	18.0
83.08603	33.5
85.02884	21.7
90.82065	3.4
91.05458	24.1
93.07021	42.1
93.34615	3.1
95.04951	20.8
95.08595	100.0
97.02875	48.0
97.06522	6.8
97.10141	11.5
98.21130	19.8
99.04414	9.8
105.07008	37.3
107.04974	5.0
107.08582	68.7
109.02844	13.5
109.06488	9.4
109.10145	65.2
111.04418	10.0
111.08060	8.2
116.43372	3.2
117.07024	5.6
119.08571	68.3
121.10122	75.5
123.11693	57.0
125.09612	97.7
127.03888	9.6
129.05464	8.7
129.06981	7.9
129.69647	3.5
131.08545	19.6
133.10103	49.5
135.11658	33.3
137.13231	9.3
139.04234	23.5
139.11162	4.3
143.08508	5.7
145.10100	32.9
147.11674	32.7
149.09630	5.9
149.13298	17.4
151.11137	3.7
151.14787	14.2
153.09058	6.3
153.12715	12.6
157.10068	18.0
159.11650	17.1
161.13242	16.3
163.11153	6.4
163.14813	30.0
165.12718	3.6
165.16373	4.2
173.13245	13.3
175.11174	12.3
175.14821	19.4
177.09073	6.8
177.16356	25.5
177.65329	3.5
179.14354	4.4
181.15871	33.8
185.13319	6.6
187.14803	48.3
189.16347	33.4
191.17917	14.7
193.12213	55.3
193.15872	9.9
195.17427	11.9
199.14815	7.3
201.16360	45.1
203.17944	41.8
205.19510	5.6
207.17421	4.7
209.18999	11.3
211.13258	96.0
211.15251	5.7
212.13467	5.4
215.17941	29.8
227.12627	6.0
229.19475	9.5
235.16867	9.3
247.16898	38.2
249.14813	5.8
249.18684	4.9
261.18359	7.8
285.16888	8.1
287.23773	6.4
311.27304	4.1
355.17349	6.5
357.27713	3.7
365.31915	10.5
383.33069	39.9
399.32507	4.5
411.20114	5.7
411.32288	18.2
429.21286	81.7
429.26135	11.7
429.31696	94.8
430.21478	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05494	3.5
57.06820	1.4
57.07072	15.2
57.21188	0.9
67.05480	4.9
69.07065	4.6
71.08631	10.1
71.52593	1.4
71.52930	1.0
79.05479	2.1
81.07041	8.2
83.04954	1.5
83.08605	2.2
85.10156	5.1
87.98355	0.9
91.05431	2.8
93.07020	3.2
95.08578	7.7
97.10128	2.3
105.07021	3.6
107.08606	4.7
109.10148	5.7
113.50459	0.9
119.08542	3.4
121.06470	3.2
121.10144	4.3
122.07270	1.1
123.08100	1.3
123.11671	1.6
128.11737	1.1
131.08586	1.9
133.10112	1.3
135.08035	5.4
135.11667	2.3
136.08813	3.1
137.09593	10.3
139.07489	2.0
145.10072	1.9
149.09627	11.6
159.11734	2.8
160.08815	1.4
162.06770	0.9
163.07466	1.3
163.11168	20.9
164.08331	4.1
165.09099	100.0
168.65854	1.0
168.80551	0.9
173.09708	2.2
173.13240	1.8
175.11092	5.1
177.09076	10.2
177.12775	2.1
179.10721	1.2
186.10347	1.3
187.11195	2.1
189.12692	1.6
190.09846	1.1
191.10680	9.7
201.12727	3.4
203.10724	2.3
203.14302	1.0
205.12193	8.9
215.14427	1.5
219.13818	3.1
233.15347	2.1
247.54269	1.0
261.73459	1.0
275.20016	1.5
289.21539	2.2
401.34219	2.3
411.36057	2.4
429.32098	2.2
429.37201	48.3
430.37881	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.45146	1.4
55.05490	2.9
57.07072	15.1
57.23404	1.2
65.03954	1.5
67.05497	2.8
69.07063	5.0
69.07539	1.2
71.08630	12.2
71.25743	3.1
79.05499	1.8
81.07059	7.1
83.08621	1.6
85.10169	5.4
91.05437	2.0
93.07035	1.4
95.08601	6.8
97.10167	2.9
103.73464	1.3
104.54385	1.5
107.08588	4.3
109.10162	5.8
110.37057	1.4
111.04408	1.5
111.11750	2.0
119.08575	2.6
121.10145	3.2
123.11716	2.6
131.08531	1.8
134.76331	1.6
135.08083	3.7
137.09593	9.0
138.09981	1.6
139.07532	2.3
145.10077	1.9
149.09634	12.6
159.11673	1.9
163.11174	18.8
165.09108	100.0
166.09441	2.0
171.62917	1.4
173.09668	1.6
175.11195	4.9
177.09088	9.9
177.12749	1.9
179.10689	1.5
187.11160	4.3
189.09016	1.5
189.12759	2.0
191.10606	13.9
194.40823	1.4
201.12727	2.9
203.10684	2.3
203.14310	1.6
205.12265	9.7
219.13812	4.2
233.15395	3.4
247.16968	2.3
275.20117	1.8
289.21667	2.2
302.17099	1.5
317.24734	1.6
411.35864	2.8
429.32080	3.8
429.37231	65.4
430.37775	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05495	2.7
57.06826	1.1
57.07070	15.2
67.05483	4.0
69.07043	4.0
70.23051	2.0
70.23447	1.8
71.08622	11.5
79.05470	1.5
81.07059	7.2
83.08598	2.6
85.10156	5.9
91.05459	1.6
93.07001	1.8
95.08595	6.7
97.10150	2.4
105.07022	1.8
107.08598	4.7
109.10135	5.6
111.04430	1.2
111.11685	1.6
119.08547	2.9
121.06477	1.9
121.10116	3.7
122.07229	1.3
123.11707	1.1
131.08546	2.0
133.10106	1.5
135.08038	5.6
135.11661	1.8
137.09596	9.8
139.07520	1.6
145.10101	2.7
147.11639	1.1
149.09612	14.9
151.07465	1.2
159.11676	3.3
160.08813	1.0
163.11153	21.2
164.08252	1.0
165.09099	100.0
166.09459	2.0
173.09570	1.4
173.13144	1.7
175.11183	6.3
177.09123	9.9
177.12749	2.4
179.10658	1.6
183.10349	1.0
187.11182	2.6
189.12685	1.7
190.09880	1.6
191.10649	10.5
191.14301	1.1
201.12747	2.6
204.11342	1.4
205.12195	12.1
206.12598	1.0
217.74002	1.0
219.13797	5.9
233.15317	2.9
247.16798	1.3
261.18530	1.2
275.20056	1.9
289.21515	1.6
303.23083	1.6
317.24695	1.0
401.33652	1.2
411.36093	2.6
429.31873	3.8
429.37219	53.7
430.37595	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	430.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03431	16.6
57.07070	12.4
59.04981	4.1
61.02915	2.3
63.04484	20.2
64.52659	0.8
64.53067	0.9
69.03421	60.3
69.07050	1.3
69.97576	4.3
69.97998	1.9
70.06578	4.2
71.01350	1.1
71.24418	0.8
73.02898	2.7
75.04457	3.1
81.03396	2.5
85.02892	41.3
86.09678	3.7
87.04459	44.5
93.07024	1.1
93.33149	0.9
95.04985	1.8
96.08093	1.1
97.02879	53.8
99.04443	1.8
103.04585	0.9
105.06988	1.0
106.06535	19.2
107.08552	1.6
109.02893	1.1
115.03910	75.9
119.10677	100.0
120.11000	1.5
127.03903	6.7
133.04945	69.0
133.10083	1.6
137.09605	1.4
143.03580	0.9
145.04929	6.5
145.10065	1.1
150.07591	5.4
161.11786	1.3
163.05980	1.4
185.45752	0.9
215.07034	0.9
229.15421	1.7
232.16876	1.6
241.07027	1.7
250.17993	2.5
251.14891	3.9
259.08130	3.6
277.09253	2.2
281.15952	3.3
295.10110	3.0
336.16232	1.0
412.23001	2.1
428.99509	1.0
430.20972	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43157	1.7
55.01858	7.8
55.05504	3.0
57.03429	14.0
57.07070	18.8
59.04979	2.0
60.33945	1.8
61.02921	4.5
63.04482	17.8
67.05509	11.3
69.03425	14.0
69.07057	4.4
70.06586	19.6
71.04993	2.0
72.08154	3.1
73.02914	16.5
75.13391	1.8
79.02850	1.7
79.05494	2.4
81.03397	3.9
81.07050	4.5
83.04980	3.2
85.02900	36.8
85.06535	9.8
86.09691	19.8
88.72329	1.7
91.05447	2.5
93.07027	6.1
95.04929	3.9
95.08598	57.6
97.02871	21.0
103.03931	2.1
105.07030	5.6
107.08580	9.0
108.08113	50.3
109.02891	2.8
109.06477	3.2
113.06006	6.8
114.05517	2.4
115.03915	10.8
119.08598	11.0
119.10681	84.0
120.10956	1.9
121.06497	4.0
121.10125	5.2
123.08047	22.8
127.03889	11.6
133.04977	9.4
133.10110	3.5
135.08063	3.0
135.11702	9.9
137.09540	2.9
143.11856	2.8
145.04926	10.7
147.11697	5.4
149.09596	24.1
150.12775	2.5
151.07599	2.1
151.14787	2.1
161.05923	2.0
161.08350	4.9
161.13252	10.3
163.06006	4.2
163.11197	7.3
165.12750	6.4
171.11598	2.5
176.10686	26.3
179.14313	4.5
189.12704	15.5
207.13783	100.0
208.14124	4.3
225.14780	6.4
229.15472	5.5
232.16948	7.9
233.15425	3.4
235.09576	2.5
241.07181	2.3
250.18024	15.4
252.10051	2.5
260.09225	2.0
268.19022	2.7
280.23056	1.8
355.19937	1.8
356.16946	4.6
412.23297	5.9
416.83890	1.9
417.44553	1.9
430.24783	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	431.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01866	2.4
55.05515	6.3
56.96568	1.3
57.03426	2.8
61.02918	2.4
61.34069	1.1
67.05502	9.8
68.99776	3.8
69.03416	5.4
69.07051	4.6
71.04973	2.9
71.60932	2.3
73.02905	10.1
79.05502	8.6
81.03395	3.7
81.07046	16.3
83.04972	4.1
83.08606	2.2
85.02898	6.2
91.05455	8.4
93.07022	14.1
95.04951	5.7
95.08571	7.4
97.02852	2.4
97.06519	4.7
97.84460	1.5
99.04449	2.7
103.05468	1.7
105.03385	2.2
105.07027	7.6
107.04958	3.0
107.08617	7.5
109.02847	3.1
109.06501	5.3
109.10157	3.1
110.50398	1.4
111.00768	1.5
111.08063	1.6
115.05396	1.5
117.07005	5.0
119.04957	2.0
119.08566	5.4
121.02825	6.7
121.06487	2.1
121.10139	2.7
123.04425	2.2
127.03920	2.6
129.06979	3.3
131.04922	2.8
131.08563	4.5
133.06476	1.8
133.10138	7.2
135.04422	1.5
135.11647	2.5
137.05914	1.6
139.03825	1.5
141.07011	2.1
143.08539	2.3
145.06476	4.5
145.10155	3.2
147.04402	1.7
147.08096	1.5
147.11708	2.3
149.05989	2.0
149.09541	1.7
149.13200	2.8
151.03954	1.7
151.07547	2.7
153.01814	29.9
157.06459	4.2
159.04364	1.5
159.08063	4.1
159.11673	3.4
161.05988	1.6
161.09613	1.5
161.13222	2.2
163.03914	3.9
163.07495	2.5
165.01840	4.4
165.09088	1.4
167.07024	3.6
171.03008	1.2
171.11620	1.3
173.06001	2.6
173.09619	1.3
175.07472	1.6
175.11055	1.4
177.05415	2.0
177.12718	3.1
179.03412	7.1
181.04910	1.5
181.06442	1.5
183.02873	2.1
183.84659	1.1
185.05923	3.0
187.03964	2.2
187.07507	5.9
187.11140	1.8
189.05547	1.4
191.03381	9.1
191.07095	1.3
191.14317	1.4
193.05035	1.7
195.02820	4.8
195.13812	2.5
197.05832	1.4
199.07497	2.9
201.05408	2.4
203.03391	3.6
205.04974	1.8
207.02904	5.4
213.05472	3.0
213.08981	2.4
215.07071	2.4
217.05011	2.3
219.02850	13.4
219.06404	2.1
220.03615	5.9
221.04440	6.2
227.06984	1.8
229.04930	2.5
231.02882	4.2
232.03546	2.2
233.04329	6.3
237.02863	1.5
241.04909	4.2
243.06528	4.5
245.04475	6.6
246.05148	2.0
247.02356	20.3
248.03116	1.8
254.05840	2.1
255.06429	2.7
256.03561	1.5
257.04279	1.9
258.05139	1.6
259.02411	1.7
259.05942	2.6
261.03979	5.8
265.03296	2.4
267.06491	1.4
269.04428	5.8
269.17422	8.8
271.06036	6.8
273.03918	2.9
277.03494	1.5
279.06461	2.4
280.07294	3.1
281.04352	2.2
282.05301	3.0
283.06189	2.7
283.09604	2.9
285.03958	2.7
287.02222	2.7
287.05463	67.6
288.05655	3.0
289.03369	2.9
293.02783	3.0
293.07990	2.3
295.06113	2.1
295.09448	3.1
297.03845	8.3
297.07523	5.0
298.04568	1.8
299.05493	9.4
299.08844	2.7
302.52454	1.3
305.02881	10.0
308.06857	2.0
309.07782	2.4
310.04617	1.7
311.05515	3.3
311.09106	9.9
312.02359	1.7
313.03333	3.6
313.07233	1.6
313.10562	5.9
315.05081	1.7
321.07568	2.4
323.09027	13.7
325.03485	2.7
325.06992	4.6
326.08060	1.9
327.08762	3.0
339.04721	2.8
339.08548	20.4
341.06274	2.4
341.10138	32.5
348.11969	1.7
349.06927	2.6
351.08533	3.2
357.09796	1.6
359.11328	1.6
367.08090	35.9
369.09598	12.2
385.09097	41.0
386.09412	2.6
387.10663	5.1
395.07629	2.8
403.10214	2.8
413.08603	100.0
414.08893	4.8
431.09662	67.7
432.10001	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.01866	2.4
55.05515	6.3
56.96568	1.3
57.03426	2.8
61.02918	2.4
61.34069	1.1
67.05502	9.8
68.99776	3.8
69.03416	5.4
69.07051	4.6
71.04973	2.9
71.60932	2.3
73.02905	10.1
79.05502	8.6
81.03395	3.7
81.07046	16.3
83.04972	4.1
83.08606	2.2
85.02898	6.2
91.05455	8.4
93.07022	14.1
95.04951	5.7
95.08571	7.4
97.02852	2.4
97.06519	4.7
97.84460	1.5
99.04449	2.7
103.05468	1.7
105.03385	2.2
105.07027	7.6
107.04958	3.0
107.08617	7.5
109.02847	3.1
109.06501	5.3
109.10157	3.1
110.50398	1.4
111.00768	1.5
111.08063	1.6
115.05396	1.5
117.07005	5.0
119.04957	2.0
119.08566	5.4
121.02825	6.7
121.06487	2.1
121.10139	2.7
123.04425	2.2
127.03920	2.6
129.06979	3.3
131.04922	2.8
131.08563	4.5
133.06476	1.8
133.10138	7.2
135.04422	1.5
135.11647	2.5
137.05914	1.6
139.03825	1.5
141.07011	2.1
143.08539	2.3
145.06476	4.5
145.10155	3.2
147.04402	1.7
147.08096	1.5
147.11708	2.3
149.05989	2.0
149.09541	1.7
149.13200	2.8
151.03954	1.7
151.07547	2.7
153.01814	29.9
157.06459	4.2
159.04364	1.5
159.08063	4.1
159.11673	3.4
161.05988	1.6
161.09613	1.5
161.13222	2.2
163.03914	3.9
163.07495	2.5
165.01840	4.4
165.09088	1.4
167.07024	3.6
171.03008	1.2
171.11620	1.3
173.06001	2.6
173.09619	1.3
175.07472	1.6
175.11055	1.4
177.05415	2.0
177.12718	3.1
179.03412	7.1
181.04910	1.5
181.06442	1.5
183.02873	2.1
183.84659	1.1
185.05923	3.0
187.03964	2.2
187.07507	5.9
187.11140	1.8
189.05547	1.4
191.03381	9.1
191.07095	1.3
191.14317	1.4
193.05035	1.7
195.02820	4.8
195.13812	2.5
197.05832	1.4
199.07497	2.9
201.05408	2.4
203.03391	3.6
205.04974	1.8
207.02904	5.4
213.05472	3.0
213.08981	2.4
215.07071	2.4
217.05011	2.3
219.02850	13.4
219.06404	2.1
220.03615	5.9
221.04440	6.2
227.06984	1.8
229.04930	2.5
231.02882	4.2
232.03546	2.2
233.04329	6.3
237.02863	1.5
241.04909	4.2
243.06528	4.5
245.04475	6.6
246.05148	2.0
247.02356	20.3
248.03116	1.8
254.05840	2.1
255.06429	2.7
256.03561	1.5
257.04279	1.9
258.05139	1.6
259.02411	1.7
259.05942	2.6
261.03979	5.8
265.03296	2.4
267.06491	1.4
269.04428	5.8
269.17422	8.8
271.06036	6.8
273.03918	2.9
277.03494	1.5
279.06461	2.4
280.07294	3.1
281.04352	2.2
282.05301	3.0
283.06189	2.7
283.09604	2.9
285.03958	2.7
287.02222	2.7
287.05463	67.6
288.05655	3.0
289.03369	2.9
293.02783	3.0
293.07990	2.3
295.06113	2.1
295.09448	3.1
297.03845	8.3
297.07523	5.0
298.04568	1.8
299.05493	9.4
299.08844	2.7
302.52454	1.3
305.02881	10.0
308.06857	2.0
309.07782	2.4
310.04617	1.7
311.05515	3.3
311.09106	9.9
312.02359	1.7
313.03333	3.6
313.07233	1.6
313.10562	5.9
315.05081	1.7
321.07568	2.4
323.09027	13.7
325.03485	2.7
325.06992	4.6
326.08060	1.9
327.08762	3.0
339.04721	2.8
339.08548	20.4
341.06274	2.4
341.10138	32.5
348.11969	1.7
349.06927	2.6
351.08533	3.2
357.09796	1.6
359.11328	1.6
367.08090	35.9
369.09598	12.2
385.09097	41.0
386.09412	2.6
387.10663	5.1
395.07629	2.8
403.10214	2.8
413.08603	100.0
414.08893	4.8
431.09662	67.7
432.10001	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0969
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.03936	2.8
55.01863	3.2
55.05500	6.9
55.56228	1.3
56.96547	1.5
57.03412	3.8
59.04987	1.2
61.02913	3.1
62.42494	1.3
65.03913	1.9
67.05494	9.5
68.99777	3.5
69.03410	6.1
69.07051	5.8
71.04983	2.9
72.08110	1.7
73.02901	8.6
79.05480	11.6
81.03400	5.3
81.07047	19.7
82.20349	1.2
83.04968	4.3
83.08590	3.0
83.92648	1.4
85.02879	8.3
91.05467	9.7
93.07046	15.0
95.04945	6.1
95.08585	6.2
97.02881	3.8
97.06506	5.1
99.08122	1.4
105.03393	1.9
105.07018	8.4
107.04958	5.8
107.08580	6.0
109.02854	3.9
109.06499	5.9
109.10130	4.6
111.00760	2.1
111.04418	2.2
115.05429	2.4
117.06976	5.3
119.04900	3.6
119.08527	4.9
121.02802	4.4
121.06470	4.3
121.10122	4.7
123.04409	3.0
123.08079	2.4
123.11684	1.4
127.03912	2.7
128.06245	2.7
129.06999	3.2
131.04988	2.2
131.08588	3.8
133.06454	1.3
133.10104	6.2
135.11700	2.1
136.07677	1.2
137.02309	1.5
137.05939	2.9
137.09573	2.0
139.03905	1.9
141.07001	2.0
143.08572	3.3
144.05603	1.3
145.06479	2.8
145.10101	3.1
147.04410	3.8
147.08028	2.5
147.11600	3.0
149.02303	1.7
149.06012	1.9
149.09587	1.7
149.13196	3.3
151.07515	2.2
153.01816	31.5
157.06488	2.5
157.10089	2.2
159.04326	1.5
159.08006	4.8
159.11687	5.5
161.05981	2.8
163.03906	5.2
163.07555	1.9
165.01776	6.8
165.12686	1.8
167.07031	3.1
171.07999	1.6
173.05945	2.9
173.13162	1.4
175.07440	2.0
175.11160	2.0
177.05542	1.2
177.09166	1.6
177.12708	2.2
179.03389	6.1
181.01289	1.5
185.05983	3.8
185.09593	1.5
187.07492	5.3
189.16275	1.7
191.03348	8.2
191.14272	1.9
193.01189	2.1
193.04974	1.7
195.02908	4.3
195.13829	3.1
199.07707	1.6
201.05438	3.2
203.03340	3.8
205.04936	4.9
207.02849	4.6
213.05423	2.8
215.07074	3.7
217.04898	3.3
219.02881	13.6
220.03665	3.1
221.04459	6.1
227.07175	2.2
229.04974	2.8
229.27173	1.5
231.02887	4.8
231.06458	2.4
232.03612	1.7
233.04402	5.4
235.05894	2.2
240.52319	1.3
241.04901	4.6
241.08534	2.2
243.06529	3.5
245.04402	4.3
245.08063	1.8
245.20131	1.5
247.02324	21.4
248.03122	2.1
251.06972	2.3
254.05754	3.9
255.06534	3.7
257.04410	2.8
258.05209	2.6
259.02298	2.4
259.05975	3.4
261.03928	6.7
266.05670	2.3
269.04333	5.7
269.07864	2.0
269.17468	10.0
270.05130	1.7
271.05975	5.7
273.03906	2.3
277.03281	2.0
279.06473	2.4
281.07993	2.7
282.05173	2.3
283.06012	3.6
283.09662	5.1
285.04065	2.6
287.02240	3.1
287.05460	59.0
288.05835	2.0
289.03424	2.4
293.03043	1.9
293.07977	3.4
295.06055	2.1
295.09595	4.1
297.03870	9.6
297.07495	3.9
298.08276	2.2
299.05511	8.1
299.08829	2.5
305.02884	7.5
307.06165	2.0
309.07281	2.2
310.04666	1.5
311.05399	3.8
311.09082	9.5
313.03546	2.1
313.10785	6.5
315.04932	2.4
321.07559	4.5
323.09152	10.9
325.03473	3.1
325.06967	5.3
326.07803	2.5
327.08771	1.7
339.08527	16.2
341.10150	29.8
349.07187	2.0
351.08881	2.0
353.01367	1.3
353.06372	1.5
367.08102	34.3
368.08450	2.0
369.09665	11.9
372.12064	2.4
385.09125	33.6
387.10825	3.7
395.07471	3.9
413.08627	100.0
414.08881	3.0
431.09656	65.5
431.14856	2.7
432.10242	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	431.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01862	3.0
55.05505	12.5
57.03415	8.6
57.07070	2.7
63.94134	1.3
67.05492	31.3
69.07057	9.9
71.04967	2.9
71.63622	3.1
77.12401	1.3
79.05046	2.3
79.05482	30.9
81.03408	2.6
81.06564	2.6
81.07040	41.8
83.04961	1.5
83.08595	7.9
85.02892	1.7
85.06530	3.5
91.05463	41.9
93.07030	41.5
95.04935	6.7
95.08583	26.8
97.06502	4.0
97.10105	2.1
98.98451	73.4
105.07007	37.5
107.08578	24.8
109.06458	2.0
109.10148	10.5
111.08043	2.3
116.99490	4.5
117.06992	11.3
119.08562	44.7
121.06520	2.2
121.10120	19.7
123.11701	2.3
125.02232	1.8
129.05453	4.6
129.06972	6.9
130.07809	1.7
131.08562	18.9
133.10107	32.6
135.08031	2.5
135.11670	16.3
137.09572	1.6
139.03867	15.9
143.08582	7.1
145.10083	17.9
147.08015	2.7
147.11667	34.5
149.09608	1.8
149.13232	10.0
151.03867	22.1
153.05457	16.3
155.01027	3.3
155.06981	2.5
157.10110	7.7
158.10777	1.4
159.08083	1.5
159.11667	13.6
161.09624	1.8
161.13252	35.4
162.13560	1.6
163.03879	3.0
163.14795	3.2
165.05449	5.6
167.08662	1.7
169.08682	1.5
171.11670	12.5
173.02074	18.6
173.13219	12.0
175.11263	2.7
175.14809	24.6
177.05461	8.5
177.12711	2.8
179.03387	2.4
185.13243	12.6
187.14772	4.0
189.05428	2.0
189.12683	2.7
191.06995	3.8
199.14804	5.9
201.16382	1.5
205.08574	2.0
213.16365	3.7
215.17914	3.8
217.08759	2.3
217.19519	5.1
231.21031	6.7
233.11687	4.1
241.19481	50.4
242.19829	3.1
243.10051	2.8
243.21120	1.7
259.20532	71.3
260.20847	3.6
261.11224	8.6
267.98373	1.7
273.14783	4.0
275.16382	4.3
277.21646	2.4
291.62726	1.8
303.15884	2.4
315.22964	4.0
321.17093	1.8
333.24191	100.0
334.24561	6.9
345.51428	1.5
367.22845	1.6
385.23581	4.2
395.21951	4.5
413.23279	10.3
431.23865	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	431.2422
Annotation	Kuguacin K
Peak:m/z	Relative Intensity
52.83595	0.6
53.03925	0.9
55.01856	2.9
55.05510	5.8
55.29461	0.6
57.03423	1.4
57.07074	1.2
65.03930	1.4
67.05498	12.3
68.99799	2.1
69.03411	2.6
69.07055	8.4
70.29745	3.1
71.04991	1.3
79.05486	10.5
81.03394	2.3
81.07052	22.8
83.01311	1.4
83.04959	3.1
83.08601	2.9
85.02896	0.9
85.06528	1.3
91.05466	8.1
93.07043	9.1
95.04955	5.1
95.08594	9.1
97.02927	1.0
97.06507	2.3
97.10149	1.1
98.98463	0.9
99.04426	0.8
105.07012	9.6
107.04922	3.2
107.08585	7.3
109.02872	2.3
109.06499	3.4
109.10130	6.4
111.04425	1.7
111.08102	1.1
112.90840	0.6
115.05402	1.3
117.07001	2.4
119.08555	6.1
121.06504	2.3
121.10122	4.9
123.04431	7.3
123.08038	2.6
123.11690	2.4
125.02358	2.0
125.05975	1.6
127.03889	3.0
129.06987	2.1
131.08524	5.5
133.06465	1.4
133.10117	5.1
135.04401	2.5
135.08066	1.4
135.11667	3.1
137.05957	3.2
137.09619	1.6
139.03886	17.9
141.05466	1.6
143.08548	2.3
145.06514	1.5
145.10092	4.5
147.04398	1.6
147.11662	4.6
149.05952	2.9
149.09653	3.9
149.13255	1.4
151.03888	100.0
151.11084	1.2
152.04239	1.6
153.05453	25.7
153.06723	1.3
155.08507	1.4
157.10150	1.1
159.08080	1.1
159.11659	2.6
161.05968	1.3
161.13194	0.9
163.03893	5.3
163.07462	0.9
163.11159	1.8
165.05475	6.4
165.12744	2.5
167.03328	0.9
167.07042	1.4
169.04953	1.7
171.11650	1.4
173.09682	1.1
173.13234	1.0
175.03893	1.8
175.11209	2.1
177.05466	12.9
177.09023	1.5
179.03384	58.9
179.06818	4.4
179.10587	0.8
180.04030	0.8
181.10136	1.3
183.11652	1.3
187.11223	1.0
189.05443	2.5
189.09123	1.1
191.03346	1.4
191.07016	4.2
191.10564	1.0
193.04974	2.8
193.08583	2.5
193.12149	0.8
195.13626	0.7
201.05515	0.8
201.09142	2.1
203.03380	2.8
203.06999	1.3
203.10612	1.0
205.04982	3.9
205.08453	1.5
215.07053	2.0
217.08589	1.4
219.10146	46.3
220.10501	1.4
221.11705	35.5
222.12112	0.9
227.07037	1.1
229.08607	2.6
231.10167	6.0
233.11699	1.7
243.10188	1.2
245.11757	3.2
247.09630	6.4
249.11206	13.4
250.11520	0.9
257.11646	1.2
261.11200	0.9
269.17429	1.2
271.13092	1.0
273.11154	3.7
275.20068	1.6
277.21634	0.8
287.16489	2.8
289.18011	1.3
297.14816	1.4
299.16547	1.1
311.16473	1.1
315.15918	3.6
317.17627	0.8
327.15921	1.2
339.15848	1.6
343.15240	1.4
344.15805	0.9
345.16791	0.9
357.16779	1.7
357.24149	4.6
367.22684	6.2
385.23676	15.1
395.22098	6.6
395.29324	0.8
413.23163	27.2
413.29605	1.7
414.23483	1.9
431.24109	22.4
431.30652	3.1
432.24280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2423
Annotation	CJ 15544
Peak:m/z	Relative Intensity
53.03942	2.3
55.01855	3.3
55.05506	37.4
57.03418	1.4
57.55038	0.9
65.03944	1.3
67.05491	9.6
69.03405	2.9
69.07059	8.9
69.31030	9.1
71.04977	0.9
71.08617	1.7
79.05491	8.6
80.83890	0.8
81.03414	2.5
81.07047	14.9
83.04971	3.1
83.08134	1.9
83.08610	28.8
91.05450	5.3
93.07039	9.7
95.04934	3.9
95.08033	1.6
95.08594	16.8
97.06503	2.5
97.10173	1.3
98.21323	3.6
98.98462	1.5
105.07005	4.7
107.04924	1.0
107.08583	6.0
109.02876	1.8
109.06499	3.2
109.10149	4.8
111.08119	4.4
113.09645	8.5
117.06994	2.2
119.08571	6.1
121.06494	1.4
121.10137	4.7
123.04397	4.3
123.08041	1.7
123.11716	1.0
125.02317	1.0
125.05983	2.4
125.09643	0.9
127.03894	2.6
127.11168	1.3
128.51665	0.8
129.06976	1.8
131.08549	3.8
133.06435	3.1
133.10136	3.6
135.04390	1.2
135.11705	2.8
136.47633	0.8
137.05949	8.9
137.09598	2.4
139.03889	24.2
141.05428	2.8
143.08524	1.9
145.06482	1.4
145.10117	3.3
147.04408	1.9
147.11678	2.1
149.05896	1.7
149.09581	2.2
151.03882	50.7
151.07506	2.0
152.04214	0.8
153.05447	32.3
156.09312	0.8
157.10191	1.7
159.07991	1.0
159.11647	2.3
161.05975	3.5
161.09644	1.4
163.03893	9.4
163.07535	2.7
163.11157	1.3
165.04132	1.6
165.05467	24.5
165.06856	1.7
167.07062	5.3
169.10048	1.1
171.08058	0.9
171.11659	1.6
173.05986	1.4
173.13237	1.0
175.03873	5.5
175.07504	2.0
175.14854	1.1
177.05446	29.7
177.08983	1.0
179.03406	1.1
179.07011	29.1
180.07368	1.0
183.11710	1.0
185.13200	2.0
187.07561	1.0
187.14925	1.4
189.05508	3.0
189.09123	1.1
191.03374	2.3
191.06995	8.8
193.04898	1.5
193.08501	2.6
197.13210	0.9
203.03496	1.0
203.07048	2.1
205.05075	1.1
205.08586	2.5
213.09065	1.2
215.07005	1.6
217.08603	1.3
219.10129	2.4
231.10338	1.6
233.11708	1.6
241.12228	2.4
256.54404	0.9
259.13284	24.3
259.20602	1.1
261.14914	2.6
269.11725	1.9
271.13284	2.4
273.14819	1.3
275.16357	13.3
287.09531	1.5
287.12762	31.8
289.14297	15.3
301.14310	1.3
303.15781	4.9
305.13788	1.2
307.15372	8.3
319.15396	4.3
321.16946	3.7
367.22702	3.6
385.23657	19.6
385.28204	0.9
386.24109	1.4
395.22089	4.5
413.23099	12.7
431.24213	100.0
432.24597	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2424
Annotation	Kuguacin K
Peak:m/z	Relative Intensity
53.03949	1.5
55.01865	3.5
55.02137	0.8
55.05503	7.4
57.03423	0.9
57.07066	0.8
65.03925	0.9
67.05497	12.1
68.99792	2.6
69.03415	1.7
69.07064	7.0
69.90046	3.3
71.04983	2.1
76.08158	0.6
78.35181	0.6
79.05048	0.9
79.05483	9.9
81.03411	1.1
81.07043	19.0
83.01342	0.9
83.04975	1.8
83.08611	5.3
85.02906	2.0
86.24971	0.6
88.98436	0.7
91.05476	9.5
93.07029	8.2
95.04962	6.4
95.08601	9.0
97.02888	0.9
97.06511	2.5
98.20985	1.6
98.98470	1.5
105.07018	8.6
107.04943	2.4
107.08587	6.3
107.11061	0.8
109.02859	3.0
109.06507	3.8
109.10159	4.9
111.04395	1.1
111.08066	1.4
117.06983	3.3
119.04956	1.2
119.08546	5.7
121.06479	2.9
121.10159	5.5
123.04424	6.9
123.08039	3.9
123.11694	1.5
125.02345	2.0
125.05970	1.2
127.03912	3.2
129.06985	1.7
131.08600	3.7
133.06456	1.5
133.10126	4.7
135.04372	1.7
135.08041	1.9
135.11684	3.2
137.05978	3.7
137.09636	1.0
139.03882	23.8
141.05438	2.0
141.07014	0.8
143.08485	1.0
145.06418	1.3
145.10103	4.4
147.04359	1.6
147.08018	0.7
147.11673	4.5
149.05927	3.3
149.09613	3.9
149.13135	0.8
151.03883	100.0
151.07515	1.8
151.11067	0.8
152.04256	1.8
153.05447	28.4
153.06740	1.5
155.08530	1.7
157.10112	0.8
159.11655	1.6
161.05956	2.7
161.09607	0.8
161.13237	1.0
163.03894	4.2
163.07518	1.2
163.11116	2.3
165.05475	7.8
165.12706	1.6
167.03386	1.1
167.06998	1.7
168.09215	0.8
169.04942	1.3
171.11629	1.3
173.05922	0.8
173.09602	1.4
175.03853	2.7
175.07506	0.8
175.11127	1.7
177.05453	14.0
177.09044	1.6
177.12628	1.0
179.03377	53.3
179.06918	5.2
180.03841	1.4
187.11101	0.7
189.05414	2.0
189.09018	1.0
190.02014	0.7
191.03384	2.0
191.07021	5.6
191.10561	1.1
193.04977	5.0
193.08617	2.0
199.14687	0.8
201.05444	0.9
201.09149	1.5
203.03333	2.0
203.06990	2.4
203.10477	1.0
205.04942	4.1
205.08554	2.5
207.10004	1.1
215.07069	2.6
217.08490	3.2
219.10133	44.5
221.04404	0.9
221.11685	34.9
222.12193	1.0
227.06856	1.1
229.08484	2.0
231.06583	0.8
231.10178	4.9
233.08066	0.7
233.11696	1.8
243.10123	1.7
245.11687	2.7
247.09621	7.1
247.13335	1.0
249.11243	12.3
257.11652	1.1
259.13419	1.4
261.11182	2.4
271.13269	1.5
273.11172	4.3
273.14807	1.8
273.18576	0.9
275.12781	0.8
275.16245	0.9
275.19949	2.3
287.12668	1.9
287.16324	3.6
289.14233	2.2
289.17822	1.5
297.14832	1.1
299.16202	1.4
301.14301	1.6
303.15842	1.3
305.13654	0.8
315.15878	3.8
317.17322	1.0
327.15616	0.8
331.15421	1.1
333.24069	0.9
339.15646	1.9
343.15228	1.8
345.16791	1.8
357.16888	1.7
357.24115	3.0
367.22672	6.3
377.21277	1.0
385.19424	1.1
385.23761	15.0
395.22137	8.6
413.23141	29.8
414.23462	1.6
431.24133	29.0
432.24799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57047	2.2
65.59241	1.9
66.03799	2.3
67.05502	5.0
69.03417	11.1
69.07030	3.7
70.06580	5.5
70.08422	5.8
70.08840	6.2
71.04986	7.1
72.08155	2.6
74.06099	2.3
79.05479	4.4
81.03399	2.7
81.07042	5.5
83.04980	5.0
83.08614	2.1
83.24221	2.1
84.08157	2.1
85.02439	2.7
85.02892	15.9
86.09724	2.7
91.05461	6.7
93.07049	10.4
95.04950	3.2
95.08583	12.1
97.02872	6.1
97.06529	8.8
105.07035	11.0
107.08587	7.3
109.02803	2.8
109.06539	3.8
109.10167	5.5
116.98612	2.5
119.08595	5.0
121.10170	8.3
123.08063	3.5
127.03882	4.9
129.05443	2.2
130.92276	2.3
131.08542	6.9
133.10120	85.1
135.08035	2.9
135.11711	4.5
137.06020	3.7
137.09550	2.9
143.08569	3.2
145.04939	2.8
145.10097	3.0
147.11716	3.9
151.11176	17.7
157.10072	2.8
158.10966	3.3
163.14825	6.4
167.07011	3.6
173.13235	31.3
175.11201	4.5
181.04987	5.5
182.02686	4.3
189.12737	3.7
191.14301	54.7
198.02252	2.4
209.15327	23.5
210.02184	96.3
211.02388	4.0
212.05060	7.7
234.18526	8.1
252.03288	17.8
270.04312	100.0
270.07687	13.7
270.17194	2.5
271.04703	7.7
273.04129	2.1
287.05695	2.5
313.10876	3.6
349.23337	2.4
369.09805	2.9
371.11252	4.5
415.10260	5.8
432.09341	21.0
433.10086	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	432.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57047	2.2
65.59241	1.9
66.03799	2.3
67.05502	5.0
69.03417	11.1
69.07030	3.7
70.06580	5.5
70.08422	5.8
70.08840	6.2
71.04986	7.1
72.08155	2.6
74.06099	2.3
79.05479	4.4
81.03399	2.7
81.07042	5.5
83.04980	5.0
83.08614	2.1
83.24221	2.1
84.08157	2.1
85.02439	2.7
85.02892	15.9
86.09724	2.7
91.05461	6.7
93.07049	10.4
95.04950	3.2
95.08583	12.1
97.02872	6.1
97.06529	8.8
105.07035	11.0
107.08587	7.3
109.02803	2.8
109.06539	3.8
109.10167	5.5
116.98612	2.5
119.08595	5.0
121.10170	8.3
123.08063	3.5
127.03882	4.9
129.05443	2.2
130.92276	2.3
131.08542	6.9
133.10120	85.1
135.08035	2.9
135.11711	4.5
137.06020	3.7
137.09550	2.9
143.08569	3.2
145.04939	2.8
145.10097	3.0
147.11716	3.9
151.11176	17.7
157.10072	2.8
158.10966	3.3
163.14825	6.4
167.07011	3.6
173.13235	31.3
175.11201	4.5
181.04987	5.5
182.02686	4.3
189.12737	3.7
191.14301	54.7
198.02252	2.4
209.15327	23.5
210.02184	96.3
211.02388	4.0
212.05060	7.7
234.18526	8.1
252.03288	17.8
270.04312	100.0
270.07687	13.7
270.17194	2.5
271.04703	7.7
273.04129	2.1
287.05695	2.5
313.10876	3.6
349.23337	2.4
369.09805	2.9
371.11252	4.5
415.10260	5.8
432.09341	21.0
433.10086	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	433.1123
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01867	0.3
57.26796	0.3
62.57855	0.3
69.53925	1.9
72.08136	1.1
75.17622	0.3
85.30260	0.3
97.92439	0.3
121.02841	0.3
130.06480	0.4
131.31906	0.2
137.02354	2.5
137.03328	0.5
141.06934	0.3
149.02383	0.5
153.52428	0.3
157.07651	0.3
165.01825	0.4
172.72736	0.3
175.08778	0.3
175.19345	0.3
185.05975	0.7
189.05418	0.4
211.06856	0.2
213.05388	2.1
213.51897	0.3
231.06526	0.7
241.04982	0.9
242.05756	0.4
269.04388	0.5
271.06042	0.6
287.05487	100.0
288.05795	2.2
304.43564	0.3
410.14197	0.3
433.10944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03940	0.3
57.03431	4.4
59.05004	0.2
61.02914	0.2
68.99792	0.6
69.03425	0.3
70.87307	0.6
71.04984	28.1
73.02908	0.4
75.04450	0.8
75.98920	0.2
83.04961	0.7
85.02894	26.7
87.04461	0.7
107.04925	0.5
111.00786	0.8
111.04431	0.7
111.05209	0.2
121.02848	2.8
129.05463	6.1
133.02818	0.4
137.02321	0.8
145.06526	0.3
147.04379	0.6
147.06447	1.2
153.01814	4.0
157.06464	0.4
165.01799	1.8
183.02849	1.0
185.05872	0.4
203.07098	0.3
213.05415	1.2
231.06497	0.7
241.04889	0.7
258.05246	1.0
259.05963	0.4
271.05963	0.3
287.05460	100.0
288.05801	2.5
329.06561	0.6
397.08917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15324	0.1
55.01867	0.1
55.05486	0.1
67.05524	0.1
67.43539	0.1
68.99784	0.2
69.03403	0.2
71.04970	0.3
71.61124	0.1
72.08144	0.5
78.85658	0.1
81.03417	0.1
81.07003	0.1
85.02880	0.3
86.09721	0.1
91.05442	0.1
95.04919	0.1
107.08578	0.1
109.02849	0.1
109.10043	0.1
111.00763	0.2
115.05477	0.1
117.06947	0.1
119.04877	0.1
119.08521	0.1
121.02817	0.5
121.10199	0.1
121.14604	0.1
123.04368	0.2
129.06972	0.1
130.06497	0.2
132.04506	0.1
135.07983	0.1
137.01329	0.2
137.02321	2.0
137.03310	0.1
138.02704	0.1
141.06918	0.1
143.04883	0.2
145.06456	0.1
147.04378	0.2
149.02344	0.4
150.03102	0.1
151.03827	0.1
153.01848	0.2
157.06412	0.3
157.07607	0.3
158.05965	0.2
159.09148	0.1
161.05959	0.3
163.03883	0.1
165.01822	0.3
167.04915	0.1
167.07066	0.2
171.04396	0.2
173.92101	0.1
175.03908	0.2
175.07394	0.1
179.03421	0.1
181.04887	0.1
185.05916	0.6
189.05475	0.3
193.04941	0.2
199.03806	0.2
213.05429	1.9
216.04129	0.1
217.04982	0.1
231.06494	0.7
241.04921	0.8
242.05704	0.2
258.05344	0.1
259.06039	0.3
269.04361	0.4
271.05988	3.5
272.06219	0.1
285.07898	0.1
285.12314	0.2
287.05460	100.0
288.05792	2.6
302.15039	0.3
316.16476	0.2
333.89557	0.1
415.09833	0.2
433.11139	0.6
433.16766	0.2
435.01749	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	433.2344
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03929	2.6
55.05507	10.0
56.66164	1.4
57.03429	12.8
57.07059	2.8
65.03931	1.2
67.05494	44.0
67.52685	1.1
69.07066	10.6
69.42748	7.9
69.43177	5.0
71.04980	1.5
71.08617	1.3
79.05482	25.0
81.07047	54.9
83.08601	6.2
91.05466	14.1
93.07029	38.1
95.04950	4.3
95.08595	43.3
97.06499	1.7
97.10128	1.3
98.21303	4.3
98.98454	59.7
99.08093	1.3
105.07014	11.0
107.08577	20.9
109.10152	18.4
116.99521	1.4
117.06995	4.4
119.08534	8.8
121.10134	15.6
123.10560	1.2
123.11668	7.0
131.08589	8.2
133.10150	8.1
135.11661	15.3
137.09604	1.7
137.13210	2.1
145.10118	8.2
147.11652	6.3
149.13240	10.7
155.00992	9.2
159.11633	7.4
161.13242	4.7
163.14793	6.1
173.02078	13.0
173.13255	7.5
175.14778	2.1
177.16353	3.0
186.85440	1.4
187.14822	3.1
194.56245	1.3
201.16309	2.2
205.53365	1.5
233.22713	1.9
243.21039	13.7
261.22083	45.6
279.23160	1.7
291.23441	1.3
317.24686	7.7
335.25745	100.0
336.26068	2.9
362.09027	1.3
415.22382	3.7
433.23383	2.4
433.30722	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01865	1.5
55.05505	8.2
57.03431	10.7
57.07067	4.1
65.03939	2.0
67.05498	47.2
69.07056	11.6
69.24374	1.1
70.63326	2.9
70.63681	1.4
71.04997	1.6
71.08640	1.3
74.15237	1.0
75.04453	1.2
79.05482	22.7
81.07047	50.8
83.04946	1.1
83.08598	6.2
85.06514	2.1
91.05474	12.3
93.07030	35.8
95.04964	2.6
95.08597	39.2
97.06516	3.0
97.10155	1.4
98.98455	63.0
99.08080	2.6
105.07017	12.1
107.08591	23.4
109.10148	18.0
116.16586	1.3
116.99503	2.4
117.06985	5.3
119.08572	12.1
121.10134	18.3
121.10998	1.4
123.08070	1.9
123.11685	10.4
125.09608	1.2
129.06996	1.4
131.08565	9.5
133.10104	10.8
135.08102	1.2
135.11682	15.0
137.13243	2.6
141.66309	1.0
145.10104	10.4
147.11649	6.3
149.13243	10.9
151.14847	1.1
155.01018	8.3
157.10088	1.2
159.11656	7.0
160.52013	1.2
161.13239	7.4
163.14833	6.0
165.16621	1.3
171.11613	2.1
173.02110	14.2
173.13208	7.0
175.14856	2.4
177.16376	1.8
187.14795	5.4
197.13213	1.1
215.17982	1.6
233.22694	2.0
243.21092	11.8
261.22128	41.3
262.22504	1.5
274.27371	1.3
291.23196	1.5
317.24756	7.8
332.24808	1.1
335.25757	100.0
336.26080	3.9
415.22302	3.2
433.23804	3.1
433.31006	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	433.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.7
55.01857	7.9
55.05502	29.6
57.03434	9.5
57.07056	1.6
59.04970	1.5
65.03915	2.4
67.05495	32.9
69.03413	5.4
69.07053	12.7
71.04986	5.4
71.23247	1.8
72.08162	1.2
75.04468	1.3
79.05481	43.6
81.03410	7.7
81.07047	31.5
83.04959	7.1
83.08604	13.4
85.02877	3.8
85.06535	2.4
91.05466	44.3
93.07027	32.1
95.04957	28.2
95.08595	18.2
97.06513	5.2
97.10152	18.7
99.08084	1.7
101.06001	1.3
103.05446	3.1
105.03378	1.4
105.07009	33.2
107.04936	12.6
107.08578	24.3
109.02818	1.5
109.06495	5.3
109.10131	10.2
111.04447	1.8
111.08089	2.8
115.05411	3.2
117.07004	19.3
119.04902	4.1
119.08569	14.7
120.12495	1.4
121.06479	17.7
121.10125	16.1
123.08038	5.3
123.11710	2.0
125.09611	17.8
127.03943	1.4
128.06206	5.8
129.05507	2.1
129.06990	22.2
129.99722	1.2
130.07730	2.0
131.04912	11.9
131.08546	29.8
133.06465	9.6
133.10115	11.0
135.04359	2.5
135.08044	10.9
135.11658	3.2
137.05965	2.2
137.09598	1.6
141.06946	9.9
142.07745	1.8
143.08539	16.3
144.05667	1.6
145.06461	22.6
145.10080	13.8
147.08009	9.0
147.11656	3.8
149.09589	21.5
151.07535	1.4
151.11096	1.2
153.07034	1.8
153.09087	1.8
154.07750	2.0
155.08490	6.6
157.06471	3.8
157.10115	7.7
159.08044	8.4
159.11667	10.1
161.09613	4.0
161.13228	3.5
163.11134	5.8
165.06989	1.3
167.08563	4.8
169.06448	2.3
169.10089	13.5
171.08035	4.6
171.10219	2.2
171.11650	17.6
173.09605	6.7
173.13206	2.5
175.11172	4.0
177.09053	1.3
177.12798	2.0
179.08473	2.8
181.04887	1.1
181.10120	3.3
183.08026	1.8
183.11642	6.5
185.09593	3.9
185.13229	5.3
187.11134	10.7
187.14795	1.9
189.09145	5.2
189.11160	9.7
189.12737	12.5
193.10115	2.6
193.12177	3.1
195.11647	4.9
197.09549	3.3
197.13275	3.6
199.11159	5.1
199.14891	2.0
201.12701	3.7
201.16429	1.7
203.10599	2.3
203.14345	1.5
205.12198	8.3
207.11766	1.9
209.13271	3.0
211.11070	6.9
211.14861	2.2
212.11864	1.6
213.12704	4.7
215.10684	2.9
215.14301	2.5
221.13330	2.2
223.13271	5.1
224.44331	1.3
225.12701	2.9
227.12537	6.2
229.12201	3.3
229.15947	1.2
231.13817	2.5
243.13727	4.7
249.14850	2.1
257.15366	4.3
267.15906	4.2
273.14755	2.7
287.05432	5.5
295.20587	3.9
297.17032	1.4
305.19012	2.3
313.21542	6.7
314.63174	1.2
321.16940	2.1
323.20041	22.1
331.22684	2.1
335.18549	1.6
341.21069	96.1
342.21393	1.8
359.22015	9.8
377.23438	2.4
379.22733	1.8
397.23599	2.8
415.24753	45.3
433.25784	100.0
433.30511	4.9
434.26187	3.6
448.92447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3095
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.05503	7.3
56.42759	1.0
57.07072	2.0
60.02388	1.0
65.03941	1.3
67.05497	12.9
68.06246	1.2
69.03420	3.3
69.07061	7.6
69.61027	8.9
71.04954	1.2
75.33513	1.1
79.05480	13.1
81.03389	1.6
81.06570	1.4
81.07050	22.4
83.04973	1.8
83.08616	4.0
91.05465	12.7
93.07029	18.8
94.29124	1.0
95.04966	2.0
95.08600	26.5
97.10146	1.9
98.20798	1.1
105.07018	26.6
107.08579	30.8
109.06513	5.8
109.10153	15.6
111.08083	2.6
115.05501	1.6
117.06990	6.1
119.08569	38.9
120.08903	5.5
121.06499	1.4
121.10135	13.8
123.08041	1.9
123.11681	4.4
127.07559	3.4
128.06230	2.1
129.07004	5.5
130.07756	1.3
131.08559	19.6
133.10114	26.4
135.08017	3.5
135.11639	6.2
136.08394	1.9
136.65363	1.3
137.09616	1.5
139.03860	1.3
139.07523	1.4
139.39485	1.1
141.07013	2.7
142.07753	3.7
143.08568	13.1
144.09254	2.0
145.10110	25.7
147.11670	12.4
149.13219	3.9
151.03905	2.0
154.19931	1.2
155.08542	5.7
156.09358	3.9
157.10101	18.8
159.11664	21.8
161.13208	7.6
163.07584	1.8
163.11212	1.5
163.14778	2.0
167.08536	2.2
169.10056	7.4
170.10918	3.6
171.11667	14.6
173.09560	1.8
173.13217	14.3
175.14760	11.4
177.05447	1.6
177.16322	1.6
179.08545	1.2
181.10066	3.8
182.10934	1.2
183.11618	7.7
184.12444	2.1
185.13248	21.8
187.11166	1.6
187.14813	17.8
189.16388	8.2
195.11682	3.3
196.12468	1.5
197.13239	9.0
198.14131	1.2
199.14804	22.0
201.12730	1.3
201.16365	20.3
203.18004	2.4
207.11684	2.8
208.12558	1.6
209.13269	4.0
211.14764	7.1
213.12723	3.6
213.16364	15.3
215.14421	2.0
215.17963	6.2
219.13779	1.3
221.13377	2.6
223.14876	2.6
225.16370	4.3
227.17963	3.0
229.15891	1.7
231.13907	2.3
235.14761	2.0
237.16344	3.4
239.17883	2.3
241.19467	2.0
243.13953	1.7
243.17531	1.6
245.15291	1.8
247.17049	1.6
249.16360	2.6
251.17851	1.2
253.19545	2.7
259.17041	2.2
265.19711	2.8
279.21051	3.3
287.05396	1.3
291.20990	2.4
293.22598	1.5
297.18604	1.5
305.22668	1.4
313.21744	1.5
317.22668	2.3
319.24445	1.5
323.20157	1.7
323.23749	2.0
325.21445	1.9
337.21484	1.8
339.23318	2.9
341.20993	1.5
341.24863	2.7
387.30347	13.4
397.29172	1.3
405.31494	5.7
415.29828	7.6
433.26028	4.2
433.30984	100.0
434.31009	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96471	0.4
53.03930	0.9
55.01613	0.6
55.01866	7.5
55.05487	1.2
55.99121	0.4
57.03430	17.1
59.05002	2.0
59.27889	0.4
61.02922	10.2
67.05494	0.8
69.03423	24.1
69.93328	2.1
70.06574	1.3
71.01344	3.3
71.04984	4.0
72.04495	1.6
72.08146	1.1
73.02911	21.4
75.04472	10.0
79.05505	1.1
81.03410	4.7
81.07044	0.9
83.01289	0.4
83.04973	1.8
85.02896	100.0
85.06538	0.5
86.03207	1.0
86.09708	0.8
87.04445	3.8
91.03945	5.2
91.04941	0.8
91.05469	9.5
93.07047	1.0
93.12160	0.5
95.04977	0.9
95.08613	0.9
97.02883	36.9
97.06541	0.5
98.97594	0.6
99.04450	3.8
99.08076	4.0
101.02375	0.6
101.05997	0.4
103.03929	2.1
103.05471	0.5
105.07024	12.5
107.04951	1.5
107.08583	0.6
109.02188	0.9
109.02867	7.6
109.10148	1.2
111.04459	1.3
114.05521	0.5
115.03916	14.7
115.04728	0.8
117.07033	0.7
119.08577	1.0
120.08096	1.1
121.06491	1.7
121.10137	0.6
123.04414	1.2
123.08035	0.5
127.03906	30.1
129.05479	1.7
129.07013	1.2
132.06586	1.9
133.04950	16.9
133.06543	1.1
133.10072	2.2
135.04356	0.6
137.05951	0.6
139.03885	0.7
143.08546	0.9
144.06645	0.5
145.04945	55.1
146.05334	0.8
147.04402	0.6
147.06520	1.0
147.08023	2.2
149.06000	0.7
150.07611	4.6
157.06436	0.5
159.08090	0.7
161.05974	5.7
161.09618	1.2
163.06003	21.5
168.11310	0.5
169.05002	0.6
171.08072	0.7
174.06700	0.5
175.07405	0.6
175.14716	0.4
179.07025	1.4
181.04956	0.6
183.10168	1.3
187.05937	0.6
189.09106	4.8
193.05063	0.7
193.15846	5.0
193.82018	0.4
199.06006	0.5
201.09132	2.3
202.87944	0.4
207.10138	8.6
212.01735	0.6
217.07115	0.7
219.10184	1.9
223.06036	1.8
229.08658	0.6
231.10239	1.9
241.07047	2.6
249.11247	1.3
255.12332	0.5
259.08124	3.5
263.45291	0.4
267.12473	0.6
271.11758	4.4
273.08127	0.4
273.11255	2.6
277.09195	0.5
285.13315	5.7
295.10281	1.1
302.15930	0.7
319.04544	0.7
393.01208	0.5
434.19534	0.5
442.01395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01863	2.1
57.03431	18.3
59.05006	5.2
60.04508	2.3
60.16253	0.9
61.02915	5.4
69.03422	67.4
70.03770	1.0
70.73708	3.1
70.74087	1.9
73.02907	6.6
75.04473	2.9
79.05480	2.3
81.03397	4.6
81.07024	1.3
81.07600	0.9
83.04981	1.3
85.02898	86.0
85.31179	1.0
86.09682	1.8
87.04461	51.5
91.03931	3.6
91.05467	2.9
93.06969	1.1
95.04964	2.6
95.08560	1.1
97.02884	66.6
99.04433	4.5
105.07021	36.5
107.04943	3.4
107.08573	2.1
109.02853	4.4
110.07127	1.8
115.03918	98.9
116.04263	1.0
117.06975	1.6
119.08557	2.9
121.06474	1.2
121.10072	1.2
121.28386	1.0
122.29815	0.9
123.04399	1.7
125.06025	1.2
127.03905	18.9
129.07033	1.4
131.04922	1.5
131.08597	1.5
133.04951	100.0
133.06541	3.6
137.02357	2.2
137.05971	4.2
139.03870	1.6
143.08595	1.4
145.04950	32.7
145.06204	1.4
147.04376	2.1
147.08054	4.9
150.07634	15.1
151.07507	2.5
161.04576	1.7
161.05965	12.6
161.09596	4.6
163.03940	1.8
163.06009	16.7
163.07393	2.4
167.07071	7.5
169.04924	2.1
171.06587	1.9
171.08000	2.6
177.38623	1.0
181.04942	19.9
187.06000	1.3
187.07521	2.5
189.09093	10.3
190.94531	1.0
195.02858	1.8
198.20454	1.1
201.05388	1.3
201.09137	3.2
207.10141	14.6
209.15462	1.4
219.10103	4.1
223.05913	1.6
231.10185	1.3
233.08009	9.3
241.07021	3.0
249.11154	1.4
255.12288	1.9
257.13779	1.2
259.08078	7.9
263.09305	1.5
277.09042	2.7
285.13309	4.1
295.10086	4.9
296.71622	1.2
299.05380	2.6
331.34546	1.1
387.14166	2.4
399.14542	1.2
416.10907	1.3
417.15427	4.1
417.84396	1.2
434.27475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.8
53.49430	3.6
55.01856	9.2
55.05498	21.4
56.96572	4.8
57.03429	9.9
57.07067	5.6
59.04985	5.0
61.02917	7.5
65.03924	8.2
65.09550	3.8
67.05502	27.4
68.11685	4.3
69.03407	23.3
69.07059	24.9
70.06590	8.5
71.04985	54.6
71.61472	7.7
72.08121	5.3
73.02898	9.8
79.05487	30.1
81.03408	13.8
81.07047	66.8
83.04974	10.0
83.08601	17.5
85.02889	65.7
85.06528	6.1
86.03265	4.0
86.65282	3.7
91.05466	31.7
93.07035	79.7
95.04951	11.8
95.08595	89.9
97.02861	16.2
97.06523	20.7
97.10108	7.9
99.04440	7.1
105.07024	85.0
107.04929	14.5
107.08575	75.3
109.02852	12.5
109.06498	7.8
109.10146	36.3
110.45227	4.4
111.04411	6.0
111.08051	9.8
113.09646	5.5
117.06992	16.2
119.04884	4.1
119.08575	45.2
121.02853	5.4
121.06486	6.6
121.10136	47.6
123.04419	27.6
123.08031	9.1
123.11662	22.8
125.09605	22.7
127.03928	15.7
127.11157	4.8
129.05426	5.4
131.04991	6.9
131.08557	32.3
133.10117	99.2
134.10481	7.1
135.04385	9.3
135.08057	4.5
135.11667	22.3
137.02417	4.5
137.05952	5.9
137.09587	12.1
139.03909	11.2
143.08612	6.1
143.10669	35.6
145.04979	5.9
145.06523	5.3
145.10103	48.6
147.04369	9.8
147.08000	7.6
147.11678	43.5
149.09642	5.8
149.13239	67.1
151.11157	17.9
153.01817	8.7
154.02185	4.2
155.10587	7.0
157.08704	4.0
157.10052	7.8
159.08046	4.7
159.11662	36.5
161.05916	11.3
161.09566	6.0
161.13240	20.9
163.03897	9.6
163.11133	9.4
165.12605	4.6
167.07030	37.7
167.10732	5.6
167.14297	100.0
169.08659	4.5
169.12155	5.6
171.06480	8.0
171.11507	5.2
172.05124	7.3
173.13193	10.5
175.07452	5.9
175.14746	4.7
177.05435	7.1
177.08900	5.5
177.12741	6.0
181.04956	64.0
181.06483	7.8
185.05783	4.1
185.13245	7.3
187.07539	6.0
191.14238	5.6
191.17865	6.5
195.11684	4.7
197.13400	5.1
201.05551	4.4
201.12672	4.7
201.16359	39.4
203.17809	4.6
207.10031	6.7
217.04993	4.8
217.08643	5.1
219.10190	6.2
219.13815	13.0
219.17415	91.7
221.07957	5.8
233.08110	25.9
236.17291	4.6
237.14813	13.5
237.18460	16.8
241.12581	21.6
255.11205	5.4
271.05933	18.5
272.06281	42.8
273.07410	15.3
273.12216	7.3
287.05405	13.4
288.05838	42.6
303.04950	45.2
387.14172	7.4
416.10449	9.2
417.15430	20.1
430.39813	4.6
434.11456	6.8
434.20944	4.8
435.18185	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	434.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.4
55.05745	2.1
57.03428	2.4
59.04991	2.0
65.03941	2.1
66.54633	2.2
66.92504	2.1
67.05497	13.1
69.03423	7.3
69.07066	8.5
69.42538	14.4
69.42950	4.6
71.04990	38.7
79.05490	20.4
81.03435	2.7
81.07049	35.5
83.08626	4.8
85.02892	23.6
85.06532	6.0
91.05453	16.0
93.07041	22.4
95.04971	5.8
95.08592	23.2
97.06531	7.7
98.20707	2.3
98.21278	8.0
99.08109	14.4
103.05432	2.3
105.03421	2.2
105.07025	45.8
107.04938	7.2
107.08595	23.3
108.47583	2.2
109.06523	3.7
109.10143	16.5
112.19078	2.2
117.07008	4.5
119.08574	18.6
121.06557	3.0
121.10151	15.8
123.04419	39.5
123.08080	3.7
123.11713	9.0
125.06044	2.8
125.09621	31.7
126.09941	2.5
127.03900	4.9
127.07549	5.4
127.11196	6.1
131.04961	2.0
131.08569	9.7
132.04449	2.8
133.10115	87.2
135.11708	7.7
137.02333	3.8
137.06006	2.9
137.09636	3.2
139.03955	5.0
139.11180	3.5
143.10657	55.7
145.04951	2.7
145.06531	2.4
145.10097	17.1
147.04402	7.8
147.11681	16.4
149.13261	15.5
151.11169	7.8
153.01822	8.9
155.10640	2.5
159.11691	15.4
161.13254	9.7
163.03882	5.3
163.06015	2.7
167.06996	11.7
167.14297	41.6
169.12239	4.3
171.06512	2.9
171.11691	2.2
173.13274	5.4
181.04933	20.5
191.17960	2.7
201.13045	2.3
201.16371	16.5
207.10075	3.1
219.17419	100.0
220.17886	3.6
223.05338	2.2
223.25974	2.4
233.08122	8.7
233.17583	2.1
237.18466	21.2
255.15932	5.2
263.09222	2.7
271.06070	4.0
272.06284	10.7
273.07556	9.6
287.05429	13.6
288.05844	26.7
303.05029	18.3
325.07114	8.7
393.09906	2.8
399.14474	2.7
416.10300	5.4
417.15433	3.9
434.20535	2.6
435.10303	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	434.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.0
57.03435	3.6
57.07059	3.1
67.05489	9.1
69.03421	7.4
69.07055	10.6
69.98903	9.8
71.04984	42.1
73.06541	5.3
76.85955	2.3
79.05466	13.3
80.16621	2.6
81.03415	2.8
81.07047	38.6
83.04967	4.4
83.08619	5.7
83.93793	2.7
85.02892	19.1
85.06525	8.8
86.03179	3.1
91.05457	17.3
93.07027	31.4
95.04964	6.3
95.08591	39.2
95.32031	2.5
97.02859	3.0
97.06515	7.9
97.10171	4.1
97.55291	2.2
98.97640	2.1
99.04410	2.8
99.08067	9.1
105.07014	54.8
107.08578	32.7
107.13811	2.3
109.02882	5.2
109.06496	5.2
109.10146	18.7
111.04436	2.5
111.08035	4.0
113.05960	3.2
117.06980	4.4
119.08575	19.6
121.10113	17.7
123.08067	3.1
123.11698	10.2
125.09614	30.4
126.33760	2.5
127.03917	3.0
127.07538	6.0
127.11162	7.0
129.05525	2.4
130.71770	2.2
131.08569	12.0
133.10106	88.8
134.10475	2.5
135.04413	2.6
135.08064	3.0
135.11646	5.2
137.02281	14.0
137.05930	3.1
139.03885	4.0
139.11145	2.8
143.08447	3.3
143.09567	5.3
143.10649	57.9
145.10086	23.3
147.11641	21.1
149.13229	28.8
151.11156	8.8
157.10095	3.0
159.11676	13.4
161.05911	3.4
161.09677	3.0
161.13240	9.9
163.03896	17.2
163.11154	5.6
167.07036	6.0
167.14293	70.1
169.12288	5.8
173.13211	5.1
175.14764	3.6
178.60939	2.6
179.10558	2.6
181.04947	7.3
191.14201	3.5
191.17868	2.9
201.16328	18.1
219.14081	4.6
219.17413	100.0
220.17850	4.4
231.03952	2.4
233.07999	3.5
237.14799	5.3
237.18420	18.5
255.15828	7.1
273.07495	29.7
287.05551	6.7
288.05832	13.7
303.04935	6.9
410.32483	2.6
416.10486	8.5
417.15213	3.7
434.11362	10.0
434.16693	2.8
435.11520	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14069	0.2
54.73343	0.2
55.01873	1.6
57.03432	8.0
59.04988	0.2
61.02925	1.8
62.94250	0.2
65.03937	0.3
65.36747	0.2
68.99780	0.8
69.03420	1.4
70.79631	0.6
71.01335	0.8
73.02911	15.1
79.05505	0.3
80.15767	0.2
81.03374	0.2
85.02897	1.6
87.04459	0.4
91.05470	0.3
95.04929	0.4
97.02900	0.6
103.03938	0.3
103.93409	0.2
107.04935	0.4
109.02862	0.5
111.00798	1.0
115.03919	2.3
117.07035	0.2
119.05004	0.2
120.31181	0.2
121.02842	0.9
123.04427	1.9
124.60837	0.2
127.03914	0.5
129.06970	0.2
133.02817	0.2
133.04955	1.6
135.04358	0.5
137.02324	3.5
137.05957	0.2
145.06499	0.2
147.04338	0.2
149.02309	0.6
153.01813	4.0
154.43970	0.2
154.87830	0.2
155.04880	0.2
157.06497	0.5
161.05977	0.5
161.13174	0.2
163.03891	0.8
165.01814	2.3
166.02412	0.3
167.07053	1.0
172.08763	0.2
173.05995	0.6
181.04893	0.5
181.06430	0.4
181.08620	0.5
183.02837	0.8
183.04373	0.3
185.05989	0.3
187.03801	0.3
187.07298	0.2
187.14890	0.2
189.09114	0.4
195.03027	0.3
201.05466	1.6
209.05960	0.3
213.05421	0.3
219.06432	0.2
227.06960	0.6
228.04398	0.3
229.04941	4.8
233.07990	0.3
247.06009	0.9
254.85928	0.2
255.06503	4.6
257.04404	2.7
273.07513	2.6
274.04749	0.7
285.03918	1.2
303.04965	100.0
304.05344	3.1
315.04828	0.2
325.06967	0.4
343.15332	0.3
360.15588	0.4
361.16452	0.7
399.07184	0.3
420.24701	0.2
435.28671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0919
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.22301	0.1
55.01858	0.2
57.03433	6.0
61.02926	1.4
65.03934	0.3
67.05506	0.2
68.99783	0.6
69.03416	0.5
69.51804	0.7
69.52211	0.4
71.01317	0.2
73.02911	14.5
81.03412	0.3
85.02903	0.3
93.03396	0.4
95.04945	0.4
97.02880	0.3
105.03407	0.2
109.02861	0.5
111.00774	0.9
115.03899	1.0
117.07005	0.2
121.02856	1.4
123.04411	0.4
125.98187	0.1
127.03872	0.1
133.04926	0.2
137.02324	3.5
149.02332	0.6
153.01807	4.2
155.04916	0.3
159.04446	0.2
161.05951	0.3
163.03897	0.8
165.01802	2.4
166.02577	0.2
167.06973	0.3
173.05948	0.4
177.05556	0.2
181.04886	0.2
183.02856	0.8
183.04378	0.3
187.03850	0.3
191.03343	0.2
195.02809	0.3
201.05464	2.3
205.04947	0.3
213.05551	0.2
219.06544	0.3
228.04138	0.4
229.04929	4.9
239.03516	0.2
247.06007	0.8
257.04416	2.6
258.04883	0.2
274.04730	0.8
275.05499	0.2
280.80167	0.1
285.03897	1.5
286.31503	0.2
292.52298	0.2
303.04962	100.0
304.05322	2.7
321.56317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1281
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03922	1.7
53.40190	1.6
55.01876	3.6
55.05505	15.2
57.03431	6.5
61.02919	5.1
65.03935	3.3
67.01861	1.5
67.05499	2.0
68.99788	2.2
69.03423	12.7
69.81866	10.0
70.06581	1.9
71.04984	4.0
72.08138	3.3
79.05480	2.2
81.03405	4.9
81.07051	3.4
82.06568	5.0
83.04974	3.3
83.08618	11.7
85.02888	29.9
85.06583	1.5
86.09702	5.9
87.04455	2.3
91.05481	4.2
91.48130	1.4
93.03360	1.6
93.07061	1.8
95.04959	5.4
97.02895	8.1
97.06558	2.4
98.09703	1.7
100.07660	2.0
100.11248	30.4
103.03937	1.5
103.05479	3.2
105.03370	1.9
105.07014	4.2
106.07377	1.8
107.04942	9.1
107.08599	2.2
109.02885	3.8
109.10186	1.6
110.06036	2.0
111.04454	7.5
115.05472	1.8
119.04918	9.1
119.08598	1.5
120.08107	5.7
121.02873	10.5
121.06524	2.4
123.04414	20.7
125.02307	2.2
125.06001	2.1
127.03890	5.7
128.07068	4.9
131.04942	2.0
131.08522	1.9
133.10129	2.9
135.04388	10.9
137.02344	2.0
137.05991	2.9
139.03905	4.9
139.08653	5.4
143.08604	1.6
145.04939	2.8
145.10124	1.6
147.04396	42.3
147.07932	1.4
149.05902	2.1
151.03886	3.4
153.01810	57.8
154.02209	1.4
161.05977	4.3
163.03903	10.9
163.07547	2.5
165.01831	16.4
167.07018	10.3
171.02884	6.3
171.04247	1.6
172.05096	1.7
175.03923	4.1
177.01831	8.4
179.03391	2.7
181.04939	17.5
182.15407	19.9
183.02859	21.1
185.16570	1.8
187.03912	2.6
187.07445	2.0
189.01801	3.6
189.05478	2.4
189.08990	1.8
191.03339	13.8
195.02866	55.9
205.04967	3.1
209.00836	1.8
209.16455	13.3
210.14870	21.7
211.09676	2.1
213.16100	2.0
215.03340	3.2
217.08591	1.5
218.05739	2.1
219.02893	19.9
223.10730	2.7
226.19096	9.8
231.02924	13.5
233.04338	1.6
233.08061	12.7
243.02965	1.7
249.03842	8.3
261.03882	15.3
263.09280	2.3
273.07544	100.0
273.12326	2.9
274.07880	6.1
279.04910	3.1
285.07541	20.9
297.07776	9.9
309.07523	1.4
313.07269	2.4
315.08490	12.3
336.22586	11.5
339.08621	17.6
351.08551	10.4
363.08484	4.1
369.09619	3.5
371.30453	1.8
381.09619	6.4
399.10474	7.4
417.11307	2.8
417.15869	2.5
417.32181	3.2
435.12436	5.6
435.33386	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1285
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.01859	0.3
57.03421	0.5
65.03912	0.5
67.01859	0.8
68.99775	0.5
69.03413	1.2
70.75336	0.6
72.24399	0.2
73.02888	0.4
79.05486	0.3
81.03412	0.5
85.02886	2.2
91.05473	2.2
92.04996	0.6
95.04964	1.1
97.02870	1.4
105.07040	0.3
107.04948	1.7
107.08578	0.4
109.02859	0.3
111.00751	0.3
117.06982	0.2
119.04929	8.5
119.08526	0.2
119.33414	0.2
120.04443	4.3
120.05269	0.4
121.02863	0.7
121.06445	0.6
123.04414	3.2
127.03917	0.6
133.06488	0.3
137.02313	0.4
137.05890	0.3
138.05502	0.4
142.07707	0.2
145.04935	0.4
145.06474	0.3
145.10109	0.2
147.04390	31.1
148.04745	0.9
151.03876	0.6
153.01805	60.5
154.02145	1.3
161.06012	0.3
163.03851	0.3
165.01807	0.5
167.07079	1.1
171.02896	2.7
171.04254	0.4
179.03363	0.7
181.04933	1.6
183.02853	0.4
187.07605	0.4
189.05429	0.9
191.03435	0.3
195.02876	1.3
201.05356	0.3
215.06885	0.3
219.02866	0.5
231.02956	0.3
231.06516	4.8
233.08087	0.8
249.03952	0.4
255.06458	0.7
271.06009	0.6
272.06366	0.5
273.07532	100.0
274.07867	4.8
285.07593	0.6
303.04947	2.8
339.08453	0.5
351.08414	0.3
363.08588	0.3
417.15701	0.4
435.11761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.02385	0.7
51.28033	0.8
53.03925	1.2
55.05492	2.6
56.96552	0.8
57.03414	1.3
61.72354	0.7
65.03921	2.3
67.01839	1.7
67.05479	3.0
68.99752	0.7
69.03426	3.8
69.07039	1.2
70.75815	2.1
71.04967	1.6
76.85071	0.7
77.19617	0.6
79.05470	2.7
81.03400	2.3
81.07063	3.8
83.08594	1.6
85.02905	9.9
85.06557	0.7
86.33089	0.6
88.76655	0.6
91.05473	6.1
93.07025	2.9
95.04948	3.2
95.08570	2.7
97.02875	3.0
97.06510	2.0
98.20854	0.8
98.21397	0.8
100.11264	4.4
105.07020	5.8
107.04954	6.1
107.08577	2.6
109.06477	1.2
109.10155	1.8
110.03693	0.9
111.04416	1.3
117.07008	2.8
119.04936	10.0
119.08558	8.9
120.05325	0.7
121.02884	0.9
121.06474	2.2
121.10139	1.5
123.04421	27.4
123.08060	1.1
123.11676	0.7
125.05952	1.5
127.03905	2.7
129.06987	1.2
131.04904	1.6
131.08557	2.9
133.06476	1.1
133.10103	1.9
135.04431	1.5
135.08041	0.8
135.11658	0.7
137.02322	2.4
137.05928	1.0
137.09557	0.7
141.06908	0.9
141.11507	1.4
142.07748	1.0
143.08534	1.6
144.05688	1.2
145.04968	1.1
145.06424	2.5
145.10086	3.2
147.04395	35.7
147.08035	1.5
147.11655	2.5
148.04817	0.7
149.09575	0.8
149.13231	0.9
151.03899	0.7
153.01811	69.8
154.02092	0.9
155.07069	1.5
155.08525	1.0
157.10107	2.4
159.08011	1.5
159.11671	3.1
161.05978	1.3
161.09586	2.2
161.13219	1.9
163.03871	5.4
165.01840	1.9
167.07040	10.9
169.10101	1.0
171.02896	3.3
171.06544	1.6
171.11630	2.0
172.05157	1.3
173.05891	1.2
173.13252	1.8
175.11267	0.8
175.14905	1.6
179.03444	0.8
181.04936	23.7
182.15407	2.5
183.02867	1.3
185.13216	1.9
187.03894	1.3
187.07520	2.0
187.14778	2.2
189.05450	2.2
189.12726	3.0
189.16261	0.9
191.03419	1.8
193.04938	0.8
195.02844	5.5
197.13304	1.0
199.14902	1.1
201.05394	1.4
201.12703	1.0
201.16330	0.8
203.03232	2.0
203.14326	2.5
205.08383	0.7
210.14819	3.3
213.16428	1.0
215.14293	2.1
218.05670	1.1
219.02792	2.1
219.10103	1.8
221.08099	1.2
226.94911	0.8
231.02956	1.0
233.08058	11.7
233.15604	0.8
249.03943	1.0
251.09253	1.1
261.03818	1.1
263.09155	2.9
268.21140	0.7
271.06000	1.6
273.07547	100.0
274.07736	4.2
285.07700	1.4
288.06015	1.1
289.06042	1.5
297.07663	0.7
303.05069	3.2
307.05948	1.3
313.07016	1.0
315.08533	1.5
325.07034	8.9
339.08621	1.7
340.75003	0.8
353.75702	1.4
387.14191	2.5
389.28238	2.2
391.29895	2.6
393.09689	1.7
399.14426	1.5
417.15485	5.5
435.10818	3.7
435.28845	10.7
435.34146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1834
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
53.03945	0.6
55.33396	0.5
56.52618	0.4
58.73257	0.4
69.03411	1.4
69.07055	0.7
69.71912	2.7
70.06588	2.1
71.04968	0.6
72.08144	0.8
79.05473	1.1
80.46866	0.4
81.03413	0.6
81.07055	0.8
83.04964	0.4
85.02895	1.5
86.09675	1.3
91.05460	1.8
93.07029	1.5
95.04955	0.8
95.08582	1.3
95.58311	0.4
97.06502	0.5
101.97665	0.4
103.36967	0.4
105.06994	2.8
107.04943	0.8
107.08586	1.6
109.06474	0.7
111.04457	0.7
114.54613	0.4
117.07042	0.4
118.47487	0.4
119.04965	0.6
119.08572	1.9
120.08092	0.4
121.10155	0.7
123.04423	3.6
123.08042	0.5
129.14870	0.4
130.06490	0.6
131.08499	0.9
133.06415	0.6
133.10138	0.9
135.04356	1.3
135.08008	0.9
137.05962	0.9
139.03922	0.6
142.56461	0.4
143.08466	0.6
144.72592	0.5
145.10109	1.4
147.04382	1.3
147.08061	0.5
147.11644	0.7
151.03879	0.6
153.01837	0.9
155.03354	0.6
159.08070	0.5
159.11714	1.1
161.05949	1.0
161.09621	0.9
163.03833	1.2
163.07634	0.5
167.07054	0.5
171.11659	0.5
173.13301	0.9
175.04030	0.6
179.07057	0.7
185.13237	1.5
189.09045	0.5
189.12650	1.0
199.14845	1.0
201.16418	0.5
215.14317	0.7
217.08669	0.6
229.05093	0.5
233.07994	0.6
233.89674	0.5
271.06573	0.5
273.07681	1.3
299.05640	0.6
303.04984	6.4
303.13968	1.5
352.13135	0.6
385.13101	0.9
389.28427	0.5
435.18326	100.0
436.13379	0.5
436.18738	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.33396	0.5
56.52618	0.4
58.73257	0.4
69.03411	1.4
69.07055	0.7
69.71912	2.7
70.06588	2.1
71.04968	0.6
72.08144	0.8
79.05473	1.1
80.46866	0.4
81.03413	0.6
81.07055	0.8
83.04964	0.4
85.02895	1.5
86.09675	1.3
91.05460	1.8
93.07029	1.5
95.04955	0.8
95.08582	1.3
95.58311	0.4
97.06502	0.5
101.97665	0.4
103.36967	0.4
105.06994	2.8
107.04943	0.8
107.08586	1.6
109.06474	0.7
111.04457	0.7
114.54613	0.4
117.07042	0.4
118.47487	0.4
119.04965	0.6
119.08572	1.9
120.08092	0.4
121.10155	0.7
123.04423	3.6
123.08042	0.5
129.14870	0.4
130.06490	0.6
131.08499	0.9
133.06415	0.6
133.10138	0.9
135.04356	1.3
135.08008	0.9
137.05962	0.9
139.03922	0.6
142.56461	0.4
143.08466	0.6
144.72592	0.5
145.10109	1.4
147.04382	1.3
147.08061	0.5
147.11644	0.7
151.03879	0.6
153.01837	0.9
155.03354	0.6
159.08070	0.5
159.11714	1.1
161.05949	1.0
161.09621	0.9
163.03833	1.2
163.07634	0.5
167.07054	0.5
171.11659	0.5
173.13301	0.9
175.04030	0.6
179.07057	0.7
185.13237	1.5
189.09045	0.5
189.12650	1.0
199.14845	1.0
201.16418	0.5
215.14317	0.7
217.08669	0.6
229.05093	0.5
233.07994	0.6
233.89674	0.5
271.06573	0.5
273.07681	1.3
299.05640	0.6
303.04984	6.4
303.13968	1.5
352.13135	0.6
385.13101	0.9
389.28427	0.5
435.18326	100.0
436.13379	0.5
436.18738	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.10410	1.0
55.05502	7.1
57.07056	3.5
65.26476	0.9
67.05493	11.3
68.61051	0.9
69.07063	11.2
69.68890	4.2
69.69320	2.7
79.05488	9.3
81.07045	17.8
83.08604	4.0
87.83661	0.9
91.05473	12.2
93.07032	17.5
95.04972	2.3
95.08595	31.0
97.10159	2.1
98.21452	2.2
105.07021	26.7
107.07842	2.1
107.08578	33.2
107.09276	2.1
107.24113	0.9
109.06500	2.0
109.10137	17.8
117.06998	6.3
117.32400	0.9
119.08566	58.8
120.08895	1.9
121.10131	22.3
123.08137	1.2
123.11693	5.9
125.09648	1.0
128.06142	1.4
129.06995	3.7
130.07787	2.4
131.08554	17.2
133.10114	64.4
135.08035	2.1
135.11685	10.9
137.05991	0.9
137.13249	1.7
142.07806	3.2
143.08534	10.6
144.09312	2.7
145.10106	45.2
147.11665	20.5
148.12038	1.3
149.13258	6.0
151.07529	1.2
153.09114	1.9
155.08517	3.0
156.09312	4.7
157.10126	19.4
158.10892	3.4
159.08084	1.5
159.11674	54.1
161.13248	9.4
163.07501	3.0
163.14806	7.6
165.09138	1.3
167.10654	1.2
169.10136	6.3
170.10886	5.7
171.11664	22.0
172.12428	2.1
173.09685	1.2
173.13252	23.9
173.14650	1.8
175.14816	24.6
176.15218	1.0
177.09111	2.5
177.16327	8.7
177.52521	0.9
178.94704	1.0
183.11656	6.1
184.12456	2.3
185.13240	15.3
187.13121	1.8
187.14798	37.9
188.15311	1.2
189.16353	20.3
191.17961	3.1
193.12209	1.4
195.11700	2.3
196.12425	1.6
197.13264	5.4
198.14050	2.3
199.14796	15.6
201.16360	42.2
203.17920	10.6
205.19461	2.4
207.11642	2.1
207.17427	1.2
209.13242	2.4
211.14810	5.2
213.16353	51.6
214.16685	1.2
215.14539	1.6
215.17949	14.0
217.19551	2.3
219.13828	1.3
221.15331	2.7
223.14854	2.4
225.16386	3.0
227.17949	6.7
229.15869	3.1
229.19514	2.4
233.15378	1.5
235.14821	1.8
235.16930	2.6
237.16396	3.7
239.17944	2.8
241.19522	4.3
247.16895	7.2
249.16257	1.3
251.17937	2.3
253.19569	1.7
259.17032	1.5
261.18497	3.5
265.19531	1.9
267.21100	3.6
269.22717	1.4
271.17010	1.6
273.18695	1.5
275.48911	1.0
279.21182	1.8
285.18494	2.3
293.22543	11.7
301.21634	1.5
302.61295	1.1
313.21689	3.1
319.24228	2.0
325.21371	1.4
327.23041	2.2
333.25977	1.9
335.18976	1.2
341.24750	3.5
347.27271	1.6
353.24799	1.2
365.24796	2.1
379.26236	3.4
389.31992	23.7
390.32690	1.6
392.26974	1.1
407.33163	1.4
417.31290	3.4
435.32578	100.0
436.27734	1.3
436.32736	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3251
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03942	2.2
55.01850	1.1
55.05502	11.4
57.07059	2.7
59.04993	1.7
65.03926	1.7
67.05493	32.2
68.05834	1.2
69.07057	12.9
70.64023	4.0
79.05480	16.7
81.03372	1.6
81.07045	29.6
83.04955	2.7
83.08605	10.0
85.06510	1.7
91.05464	18.6
93.07036	20.4
95.04945	3.8
95.08589	35.3
97.06518	1.8
97.10159	3.4
98.21175	1.9
98.98486	2.6
100.64352	1.0
105.07017	34.8
107.08575	33.7
108.08881	1.1
109.06514	4.4
109.09439	2.2
109.10140	29.3
110.10472	1.6
111.08054	3.5
112.61471	1.0
115.05424	1.3
117.07010	6.2
119.08562	76.3
121.10117	18.5
122.87462	1.1
123.08063	2.7
123.11686	6.8
127.07510	2.6
128.06255	1.2
128.79156	1.1
129.06978	4.6
130.07782	2.6
131.08540	18.0
133.10103	46.2
134.10419	1.3
135.08003	1.2
135.11668	13.0
137.13269	2.5
141.06955	1.6
142.07704	1.5
143.08553	8.6
144.09285	3.0
145.10097	54.4
146.10579	1.2
147.11664	24.0
149.13237	5.7
151.07588	1.6
153.09058	1.4
155.08569	2.6
156.09351	1.9
157.10121	13.5
158.10869	2.9
159.11670	56.9
160.12073	2.3
161.13213	16.7
163.07545	2.8
163.11189	1.0
163.14835	5.7
169.10120	4.1
170.10936	2.1
171.11665	17.7
172.12425	3.0
173.11768	2.7
173.13214	19.3
175.11328	1.2
175.14796	20.9
177.16379	10.4
181.10143	2.0
182.10907	1.4
183.11719	5.2
184.12352	1.0
185.13217	16.2
186.13951	1.5
187.14795	52.8
188.15227	1.3
189.12747	1.6
189.16357	52.3
190.16768	1.4
191.17998	3.2
195.11700	2.3
196.12587	1.7
197.13254	6.0
198.14024	1.8
199.14824	12.7
201.16357	45.3
201.18230	2.2
202.16745	1.7
203.14261	1.7
203.17921	16.7
205.12061	1.2
205.15797	6.8
207.13832	3.5
209.13264	3.0
211.14822	5.2
213.16365	32.5
213.18346	2.4
214.16692	1.5
215.14450	2.4
215.17915	14.3
217.15739	1.9
217.19504	2.7
219.17433	1.6
223.14806	1.7
225.16470	1.9
227.17905	8.5
229.15962	1.4
229.19537	2.2
231.13805	2.2
233.15436	1.3
237.16373	3.4
239.17792	2.2
241.19548	4.3
245.15356	3.0
247.16843	7.2
251.18195	1.6
253.19551	4.4
261.18628	1.9
267.21274	1.3
279.21024	1.6
281.22507	1.8
283.17044	1.9
285.18506	2.2
293.22516	1.6
295.24191	1.6
303.05029	1.4
307.24307	1.1
311.20151	1.4
319.24213	1.2
325.21478	1.6
333.25870	1.2
337.26440	2.3
339.23145	1.7
341.24808	1.1
343.22574	1.3
365.25027	1.5
389.31976	21.2
390.32700	1.2
407.33057	4.8
417.31448	3.1
435.27313	13.0
435.32574	100.0
436.28043	1.7
436.33032	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	435.3253
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03936	1.1
55.05500	4.5
57.07056	1.8
65.03912	0.6
67.05492	9.6
69.07063	8.0
69.68958	3.7
71.08617	0.6
79.05479	8.8
81.07042	17.5
83.04975	0.6
83.08603	3.2
85.06535	0.6
88.07645	0.6
91.05463	10.0
93.07029	19.5
95.04967	2.8
95.08594	32.8
96.08933	0.6
97.10127	1.4
97.39977	0.5
98.20945	1.6
105.07014	20.5
106.07335	0.7
107.08582	38.6
108.08916	0.9
109.06493	1.9
109.10136	17.9
111.08076	1.3
115.05402	0.7
117.06989	6.9
119.08562	44.4
120.08890	1.0
121.06528	0.7
121.10124	16.3
123.08071	0.7
123.11703	4.6
125.09608	1.0
128.06175	1.6
129.06973	4.6
130.07784	1.4
131.08540	14.2
133.10110	33.9
134.10432	0.8
135.11684	6.6
137.13234	1.0
139.07504	0.9
141.06947	1.0
142.07774	2.5
143.08556	8.6
144.09328	2.1
145.10101	28.1
146.10594	0.6
147.08023	0.6
147.11665	15.0
149.09590	0.6
149.13232	5.4
149.39418	0.5
153.09094	1.7
155.08536	2.6
156.09319	3.3
157.10106	17.3
158.10851	1.9
159.11668	43.0
160.12177	0.8
161.09598	0.8
161.13228	9.8
163.03860	1.2
163.11232	0.7
163.14806	6.4
167.08565	0.7
167.10736	0.7
169.10114	3.7
170.10922	3.6
171.11658	15.7
172.12444	2.0
173.11720	1.1
173.13235	21.0
174.13669	0.5
175.11465	0.5
175.14804	19.0
176.15242	0.8
177.16373	5.9
179.10678	1.0
179.14148	0.7
181.10078	0.7
183.11678	4.3
184.12440	4.7
185.13249	9.2
186.13849	0.9
187.14784	20.0
188.15210	0.8
189.16354	27.3
190.16701	0.7
191.17900	2.8
193.15857	0.8
195.11627	1.7
197.13228	5.5
198.13951	2.0
199.14796	28.2
200.15254	1.0
201.16353	51.7
202.16727	2.1
203.14334	1.2
203.17924	8.1
205.19540	1.2
207.06555	1.5
207.13675	0.8
209.13158	2.8
211.14799	4.0
212.15512	0.7
213.16342	34.9
214.16743	1.3
215.17914	14.6
215.19870	1.0
217.15884	1.9
217.19553	1.4
221.15356	1.4
223.14798	1.5
225.16328	2.6
227.17931	5.6
229.15895	0.8
229.19618	0.7
231.17419	1.3
233.15227	1.1
235.14909	0.6
235.16971	2.9
237.16333	2.2
239.17897	2.7
241.19533	4.9
243.20973	3.8
245.15382	0.8
247.16919	2.1
249.18488	1.6
251.17897	1.7
253.19487	2.9
255.21092	1.3
256.26437	0.6
259.16943	1.9
261.18579	3.5
263.17938	0.9
265.19482	4.5
267.21039	3.5
269.22641	1.4
271.16922	0.8
273.18588	1.3
279.21149	1.6
281.22662	2.5
285.18588	1.5
287.20190	0.9
289.21674	1.0
291.20990	0.9
293.22672	2.9
295.24295	1.7
299.19980	0.9
311.19980	0.7
319.24167	1.6
325.21567	1.2
327.23123	3.0
333.25870	1.4
339.23096	0.9
340.24097	0.8
341.24738	5.1
347.27252	1.2
353.24362	0.8
361.23718	0.5
365.24890	0.8
379.26230	0.9
389.26950	1.0
389.31982	19.7
390.32303	1.7
390.37030	0.6
393.27695	1.0
399.30777	0.7
407.33261	3.5
417.31509	2.2
435.32547	100.0
436.33060	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	435.3251
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03944	0.6
54.92485	0.5
55.05500	7.5
57.03418	0.8
57.07050	2.0
65.03905	0.8
67.05163	1.0
67.05495	15.5
69.07056	8.7
70.15787	3.0
79.05045	1.1
79.05478	13.9
81.03372	0.8
81.07046	25.4
83.04985	0.6
83.08612	4.5
85.06538	0.7
91.05463	13.1
93.07030	27.0
95.04965	3.2
95.08591	39.4
96.08949	0.8
97.06461	0.9
97.10141	2.2
98.20985	1.2
105.07015	29.1
106.07355	0.8
107.08577	46.7
108.08825	0.6
109.06484	2.5
109.10134	23.1
111.08073	1.3
112.79716	0.6
115.05474	1.0
117.06985	6.1
119.08562	44.0
120.08883	0.9
121.06435	0.8
121.10123	22.0
123.08033	1.2
123.11691	5.1
125.05978	0.9
125.09662	0.9
128.06180	2.0
129.06998	4.0
130.07750	1.6
131.08545	18.6
131.09509	1.2
133.10109	39.6
134.10429	0.9
135.07970	0.6
135.11674	11.1
137.13289	1.0
139.07521	1.2
141.06937	1.1
142.07727	2.7
143.08530	11.8
144.09306	3.7
145.10098	38.3
146.10487	0.5
147.11665	17.6
149.06042	0.6
149.09637	1.1
149.13228	6.2
151.07590	0.5
153.09076	2.0
155.08556	2.6
156.08249	0.6
156.09297	3.5
157.10109	19.9
158.10892	3.3
159.11662	40.8
160.12067	1.0
161.09650	0.8
161.13246	11.6
163.07536	1.9
163.11179	0.9
163.14832	3.7
165.09109	0.7
167.08499	0.6
169.10126	4.2
170.10863	3.4
171.11658	16.1
172.12379	1.7
173.09697	0.7
173.11830	0.6
173.13229	21.9
175.14798	22.9
177.09109	1.6
177.16362	7.2
181.10030	0.7
182.10736	0.8
183.11626	5.9
184.12419	2.6
185.13225	9.9
186.13963	0.7
187.13106	1.3
187.14783	22.8
189.16350	15.6
191.17928	2.2
193.10263	0.7
193.15765	0.7
195.11638	2.1
197.13237	5.6
198.14050	1.7
199.12938	1.1
199.14790	21.3
201.16354	43.6
202.16692	1.0
203.17943	7.0
205.19475	0.8
207.17467	0.7
209.13185	3.0
211.14742	4.1
213.16347	21.8
214.16888	1.3
215.14362	1.5
215.17917	15.0
217.15901	1.6
217.19540	0.7
219.17448	0.6
221.15405	1.1
223.14763	2.6
225.16408	3.4
227.17822	5.1
229.15857	2.1
229.19507	2.4
231.17384	0.9
233.15359	2.5
235.16896	1.4
237.16269	3.2
239.17862	3.2
241.19402	5.2
243.21042	2.7
245.15398	0.7
247.16862	5.6
249.16275	0.9
249.18533	1.4
251.17908	2.5
253.19557	1.9
259.16840	1.3
261.18542	6.5
263.17963	0.8
265.19446	2.6
267.20975	4.0
269.22653	1.0
273.18536	0.9
279.21088	2.0
281.22632	3.5
283.24216	0.7
285.18417	1.4
287.20029	0.6
291.20837	0.8
293.22559	6.0
295.24136	2.4
299.20071	1.4
301.21582	0.6
313.21744	1.3
315.23022	0.8
319.24249	1.6
321.25732	0.9
325.21722	1.4
327.23236	4.3
333.25818	1.1
338.20633	0.6
339.23248	1.3
341.24673	4.0
347.27148	1.4
349.28723	0.9
351.23157	0.7
365.24847	1.4
379.26340	1.0
389.32004	22.0
390.32239	1.1
393.27969	0.9
407.33112	3.4
417.31555	3.3
435.27676	3.8
435.32541	100.0
436.32892	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	435.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.49350	1.7
55.05511	10.1
57.07064	3.4
59.93243	1.5
67.05499	12.6
68.16581	1.2
69.07061	13.0
79.05481	10.4
81.07044	25.0
83.08611	6.3
91.05464	13.2
93.07030	27.0
95.04960	4.3
95.08593	43.4
97.10159	2.6
105.07019	33.8
107.08582	39.7
109.06497	1.6
109.10139	25.3
111.08067	2.9
117.07012	5.2
119.08567	64.7
121.10122	22.4
122.10461	2.4
123.08051	1.7
123.11713	4.9
125.09637	3.1
128.06218	2.8
129.07016	5.0
130.07838	2.2
131.08534	19.9
133.09087	3.0
133.10109	63.2
134.10568	1.6
135.11661	10.6
137.09525	1.3
141.07001	1.4
142.07777	3.3
143.08533	13.8
144.09320	4.9
145.10110	52.6
147.08031	1.4
147.11661	33.1
147.12753	2.3
149.09552	1.5
149.13243	8.8
153.09100	5.6
155.08528	3.2
156.09361	7.2
157.10107	27.2
158.10890	3.1
159.11670	60.1
160.12039	2.0
161.13228	22.0
163.07574	1.5
163.14780	11.2
167.10628	3.3
169.10149	5.8
170.10896	6.2
171.11656	29.7
172.12375	4.5
173.13229	17.9
175.11284	2.0
175.14812	22.9
177.16357	8.7
183.11624	7.3
184.12480	3.9
185.13226	30.5
186.13814	3.2
187.14796	100.0
188.15207	3.9
189.16345	27.6
191.17931	2.9
193.15857	1.8
197.13231	5.9
198.13881	2.1
199.14793	41.6
199.16537	2.5
201.16356	47.9
202.16801	1.5
203.17938	82.3
205.19489	5.8
207.65916	1.3
209.13396	1.5
211.14793	7.4
213.16350	48.3
213.18327	3.0
214.16714	2.3
215.17892	11.1
217.19534	3.7
221.19093	3.3
225.16362	3.8
227.17896	8.6
231.17407	3.2
235.16872	3.8
237.16257	1.5
239.17967	4.0
241.19518	4.1
243.17525	1.7
247.17033	2.8
249.18488	15.2
253.19543	3.1
259.16956	2.0
261.18533	1.8
265.19452	3.0
267.21112	1.4
273.18311	1.6
281.22501	2.1
285.18393	3.3
293.22696	3.2
295.24106	2.0
299.19962	1.5
327.23190	2.2
333.25757	2.2
339.34000	1.7
341.24673	3.8
379.25864	2.3
389.31964	24.5
407.33325	3.0
417.31467	3.3
435.27603	4.1
435.32587	95.9
436.32950	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	435.3253
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03946	1.3
55.05508	7.1
57.07077	2.0
67.05495	11.0
69.07069	8.5
71.02242	2.8
71.02592	1.5
79.05486	7.7
81.07053	21.1
83.08596	3.5
91.05468	9.8
93.07044	16.9
95.04986	2.0
95.08598	35.5
97.10160	1.4
100.19183	1.3
105.07016	27.6
105.07672	2.3
107.08582	32.3
108.08893	1.3
109.10152	18.2
117.07051	4.4
119.08568	44.0
121.06419	1.3
121.10126	19.3
123.11691	5.7
128.06158	1.3
129.07021	2.9
131.08566	15.5
133.10115	38.0
134.10384	1.4
135.11687	8.8
142.07767	4.4
143.08528	12.1
144.09274	1.9
145.10115	53.7
147.11673	22.7
149.13263	5.4
151.07477	2.1
153.09090	4.4
155.08571	2.6
156.09335	5.3
157.10126	21.5
158.10876	2.4
159.11679	41.5
160.12000	2.0
161.13266	10.4
163.14815	6.6
165.09056	1.5
167.10628	2.1
169.10123	5.4
170.10883	6.3
171.11685	19.2
172.12428	1.9
173.13254	13.5
175.11206	1.6
175.14825	15.5
177.16353	8.6
183.11674	5.4
184.12411	1.6
184.81882	1.6
185.13242	37.7
186.13907	2.3
187.14795	100.0
188.15208	4.4
189.16379	12.6
191.17958	4.1
193.12244	1.8
197.13260	4.5
199.14812	18.9
201.16359	34.1
202.16678	1.8
203.17934	48.5
205.19502	6.9
209.13335	1.5
211.14822	9.7
213.16374	35.0
213.18344	2.3
214.16867	1.4
215.17967	6.5
217.16031	1.7
217.19583	2.7
221.15416	1.3
221.18939	1.8
223.14790	1.8
223.16856	1.4
225.16397	3.7
227.17917	7.0
229.19501	1.9
231.17575	1.4
235.16957	2.9
237.16470	2.2
239.17947	3.0
241.19589	2.8
247.16895	6.2
249.18465	6.8
251.17828	1.6
253.19537	2.0
261.18570	1.5
267.21045	2.0
273.18491	1.8
285.18436	1.9
293.22571	7.9
319.24039	1.7
327.23141	2.3
389.31958	21.9
390.32343	1.5
407.33206	1.9
417.31580	2.9
435.32605	72.4
436.32709	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59346	0.4
50.83620	0.4
53.03947	0.5
55.01859	1.5
55.80022	0.4
57.03431	4.6
58.41183	0.4
68.30697	0.4
69.03423	1.8
71.04990	0.6
71.39044	0.8
72.08160	0.5
75.04475	2.5
77.03925	0.5
79.05482	1.3
81.03419	0.9
85.02899	5.5
91.05474	2.0
94.04162	0.6
97.02895	1.4
98.06024	0.4
99.04459	0.4
103.05455	1.0
105.07027	22.0
107.04945	2.8
107.08637	0.5
109.06529	1.0
115.05485	0.7
119.04944	0.5
121.06544	0.5
122.03642	1.2
123.04410	1.5
124.05160	0.6
127.03906	0.8
133.06483	54.0
134.06804	1.4
135.04451	0.6
135.08044	0.8
137.05969	100.0
138.06328	1.3
143.08585	0.4
145.04959	0.9
147.04405	0.6
151.07520	0.7
161.09673	0.5
163.07515	4.2
165.09105	34.1
175.07512	3.0
175.11191	0.4
177.09074	1.0
181.08556	2.5
182.09267	0.8
183.10158	26.1
203.10614	1.9
209.11777	0.6
221.11679	4.6
225.11128	0.5
229.48051	0.5
239.12814	3.9
257.13831	67.2
258.14078	1.3
274.07904	0.5
274.10721	0.7
277.27805	0.5
285.03662	0.5
436.17850	0.6
437.05017	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	437.3046
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
53.03932	0.8
55.01865	0.4
55.05496	3.0
57.03411	0.9
57.07056	0.8
65.03898	0.5
67.05495	7.6
69.03395	0.8
69.07054	2.7
69.42110	3.1
71.04965	0.7
75.11427	0.3
79.05059	0.4
79.05481	5.1
81.03396	0.6
81.07045	12.8
83.04942	1.2
83.08612	1.9
85.06507	0.6
91.04950	0.6
91.05469	5.9
92.70035	0.3
93.07030	10.8
95.04967	1.5
95.08592	9.8
97.06503	1.2
97.10165	0.4
99.08056	0.5
101.68052	0.3
105.07015	12.0
107.04932	0.4
107.08580	12.5
109.06507	2.4
109.10142	9.8
111.08052	1.3
115.05421	0.7
117.06985	3.1
119.08564	15.3
121.06509	1.0
121.10121	7.6
123.04395	0.6
123.08034	1.6
123.11670	1.6
125.09619	0.5
127.07519	1.4
128.06187	0.9
129.07013	2.1
130.07785	0.6
131.08549	9.2
133.06496	0.4
133.10110	9.0
135.08022	1.3
135.11658	3.6
135.15532	0.3
137.09616	1.6
137.13208	0.6
141.06972	1.2
142.07745	1.9
143.08540	5.3
144.09366	0.7
145.10103	12.3
146.10376	0.4
147.08031	0.9
147.11674	5.3
149.09622	1.6
149.13263	1.5
151.11127	1.1
153.06970	0.7
154.07780	0.7
155.08531	4.2
156.09306	1.9
157.10109	6.4
158.10812	0.9
159.08107	0.4
159.11667	9.0
161.09621	1.5
161.13249	4.7
163.03838	0.4
163.07433	0.3
163.11150	1.3
163.14790	1.3
165.06958	0.3
166.07640	0.4
167.08516	1.2
168.09348	2.3
169.10104	4.9
170.10847	1.3
171.11678	5.1
172.12408	0.6
173.09625	0.7
173.11729	0.5
173.13223	5.3
175.04369	0.5
175.11156	0.8
175.14790	2.9
177.12735	0.9
177.16345	0.8
179.08513	0.8
181.10086	2.1
182.10910	1.8
183.10207	0.6
183.11679	5.9
184.12346	0.5
185.13237	6.8
187.11133	0.8
187.14774	7.2
189.12657	1.7
189.16357	2.1
191.14233	1.2
191.17899	1.2
193.10025	0.3
194.10822	0.6
195.11678	2.6
196.12444	0.7
197.13217	5.3
199.11134	0.5
199.14806	4.8
201.12733	0.9
201.16388	3.1
203.10455	0.3
203.14258	1.0
203.17917	1.0
205.15811	1.1
206.10667	0.4
207.11659	1.2
207.13588	0.4
208.12445	0.5
209.13249	2.4
211.14824	2.6
213.12718	0.6
213.16324	3.1
215.10716	0.3
215.14267	1.4
215.17865	0.7
217.12259	0.7
217.15807	0.6
217.19585	0.4
221.13153	0.9
221.15196	0.5
223.14735	1.1
225.16370	1.1
227.14415	0.6
227.17824	0.9
229.15842	1.4
231.13777	0.4
231.17351	0.4
233.15428	0.6
235.14708	0.4
237.16351	1.1
239.17865	0.9
241.19408	0.7
247.16859	0.5
249.16417	0.4
251.17830	1.0
253.19438	1.1
255.17326	0.4
255.21065	0.5
265.19571	0.5
267.21136	0.4
269.18765	0.4
281.18808	0.5
291.21121	0.4
297.22012	0.4
299.11453	0.4
373.28641	0.4
391.29855	2.1
401.28067	0.6
419.29050	1.7
419.33044	1.5
437.30325	100.0
438.30872	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	437.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05492	3.7
57.07063	2.0
65.03910	0.9
67.05494	6.2
69.03416	1.9
69.07063	4.3
69.50558	6.8
79.05478	5.3
81.03402	0.9
81.07043	10.7
83.04958	1.5
83.08591	2.0
91.05471	8.6
91.52240	0.9
93.07036	10.2
95.04935	2.2
95.08592	12.5
97.06532	1.3
99.08094	1.0
105.06367	1.5
105.07007	16.0
107.04923	1.0
107.08583	15.1
109.06490	2.4
109.10140	8.4
111.08077	1.0
115.05453	1.3
117.07002	5.0
119.08562	20.7
121.06461	1.4
121.10118	11.7
123.08029	3.4
123.11705	4.2
125.09590	1.1
128.06197	1.4
129.06987	2.4
130.07747	2.2
130.25664	0.8
131.08549	9.4
133.10124	10.4
135.08015	2.5
135.11665	4.8
137.09555	4.7
137.13217	1.8
142.07741	2.9
143.08566	6.6
144.09247	2.0
145.10101	100.0
146.10455	1.7
147.11633	5.5
149.09567	2.4
149.13269	2.1
151.11159	1.6
153.07019	1.0
155.08528	2.4
156.09270	4.6
157.10091	11.7
158.10884	1.0
159.11670	33.6
161.09665	1.4
161.13199	3.4
163.11151	2.1
163.14738	2.2
167.08545	2.0
168.09343	1.4
169.10104	13.3
170.10869	3.0
171.11671	14.0
171.13095	1.2
173.13266	6.5
175.11163	1.7
175.14813	1.7
177.12730	1.9
177.16411	1.1
179.08525	2.3
181.10060	2.9
182.10895	1.6
183.11658	10.7
185.13202	10.5
187.11171	1.0
187.14795	6.7
189.12697	1.7
189.16380	3.1
191.14331	1.1
191.17874	2.2
193.10092	2.3
194.10866	2.8
195.11620	4.6
196.12439	1.7
197.13205	7.4
199.14755	8.3
201.16362	3.4
203.14258	2.5
203.17940	1.9
207.11659	3.2
208.12489	2.0
209.13220	9.5
211.13107	1.6
211.14828	10.5
213.16341	3.7
215.14334	1.4
217.15947	1.0
221.13243	2.7
222.13986	1.7
223.14763	5.2
225.16362	4.6
227.17964	1.0
229.15828	2.1
231.17348	1.3
234.14090	1.5
237.16313	6.5
239.18034	5.9
241.19615	1.1
247.14638	1.0
247.16888	2.2
249.16335	8.1
251.17920	18.1
253.19359	2.7
263.17920	1.8
264.88571	0.9
265.19458	4.9
292.13623	0.9
317.22598	1.0
343.24155	1.0
373.28961	1.2
383.27307	1.0
389.28067	0.9
395.29559	1.1
401.28329	11.8
419.29108	10.0
437.29758	20.4
437.35355	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3409
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.93079	2.4
52.09272	2.5
53.03937	4.4
55.01856	4.1
55.05498	20.4
57.07071	6.3
65.03938	3.3
67.05495	46.3
69.03415	6.9
69.07056	26.4
70.52601	3.8
70.52971	4.4
71.04979	3.8
77.03915	2.8
79.05482	27.7
81.03414	4.9
81.06569	4.0
81.07047	69.8
83.04966	7.7
83.08163	2.5
83.08598	14.6
85.02884	2.7
85.06541	8.6
91.05456	26.9
91.92662	2.4
93.07029	59.6
95.04958	10.3
95.08598	83.8
97.02892	2.6
97.06506	6.9
97.10155	7.2
98.21133	4.1
99.04494	4.6
99.08099	4.4
105.07017	48.9
107.04955	6.9
107.07856	3.9
107.08584	76.0
109.06505	10.0
109.10137	52.8
111.08080	8.2
117.07013	15.1
117.10277	2.5
119.08566	63.1
121.06509	7.7
121.10133	50.4
123.08057	7.0
123.11696	25.0
125.09604	5.1
128.06212	3.6
129.06999	10.8
130.43558	2.5
130.74213	2.8
131.08545	27.6
133.10114	41.0
135.08037	5.8
135.11687	36.0
137.09593	5.2
137.13274	11.8
139.03873	3.7
141.06995	5.6
142.07773	6.0
143.08546	18.8
144.09328	3.2
145.10110	38.8
147.08049	8.0
147.11684	34.4
149.02327	19.7
149.09590	9.1
149.13257	32.8
155.08530	8.7
156.09268	6.5
157.10112	27.4
158.10870	3.1
159.08051	4.0
159.11671	33.5
161.09631	10.2
161.13203	18.7
161.53688	2.3
163.11162	9.1
163.14771	16.0
165.06956	3.7
167.08586	3.8
169.10132	16.1
170.10959	4.4
171.11644	25.7
173.09573	6.0
173.13231	26.9
175.11168	5.1
175.14810	17.4
177.12798	5.1
177.16414	7.8
179.08545	3.0
181.10091	7.9
183.11626	17.0
185.09654	3.8
185.13252	20.0
187.11142	9.0
187.14795	21.7
189.11217	3.4
189.12766	11.8
189.16319	13.5
191.17921	10.2
193.04953	35.3
195.11707	10.1
197.06096	3.6
197.13254	14.4
199.11111	4.0
199.14742	16.6
201.12708	8.6
201.16351	17.6
203.14323	7.6
203.17935	9.3
205.12152	4.3
205.15875	3.0
207.11685	4.7
209.13196	6.3
211.07550	7.9
211.14778	12.9
213.12852	4.1
213.16420	12.8
215.14243	14.1
215.17924	8.7
217.15822	5.2
217.19455	5.9
219.17177	3.4
221.13193	4.6
222.13940	2.8
223.14792	8.4
225.16388	9.6
227.12743	4.4
227.17915	7.2
229.15918	5.4
229.19438	6.5
231.17418	5.7
233.18767	2.9
237.16400	5.5
239.17889	13.0
241.19402	3.6
243.17513	3.2
247.16986	3.4
249.16418	3.9
251.17917	12.1
253.19493	8.5
255.17505	3.4
255.20953	3.8
257.19128	4.9
265.19412	4.2
269.18964	8.7
271.20712	3.0
275.20102	5.9
277.19495	3.6
283.20532	5.6
295.20502	3.0
311.23325	4.1
321.25830	2.9
375.30286	3.9
391.29721	7.2
391.34042	4.4
393.31454	4.2
401.32071	8.3
403.25034	3.7
407.33078	2.7
409.34689	9.3
419.33279	59.1
420.33670	3.4
437.23886	3.8
437.34680	100.0
438.29150	4.9
438.34515	6.4
455.88806	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99179	1.0
53.03938	1.6
54.25100	1.0
55.01859	1.6
55.05503	9.1
56.24906	1.0
57.07067	4.7
59.05002	1.3
60.11533	1.0
64.40929	0.9
65.03939	2.5
67.05497	17.1
69.03423	1.8
69.07059	16.2
71.04989	1.3
71.63149	0.9
71.63554	1.4
74.35685	1.0
76.30613	1.0
79.05486	14.4
81.03423	1.8
81.07046	38.3
83.04979	1.9
83.08183	0.9
83.08594	6.2
85.06549	1.4
91.05479	17.9
92.05811	1.3
93.07033	24.8
95.04959	3.3
95.08601	42.1
97.06517	3.6
97.10161	1.8
103.05463	1.8
105.07025	33.6
107.08582	40.0
109.06516	4.2
109.10142	23.1
111.08081	2.9
111.11773	1.0
117.07009	8.1
119.08570	44.1
120.08920	1.2
121.06521	2.8
121.10134	30.7
121.27887	1.2
121.74579	1.3
123.08051	4.2
123.11698	11.9
125.09615	1.7
128.06221	2.0
129.07010	5.8
130.07765	4.8
131.08553	27.2
131.09491	2.0
133.10121	27.0
135.08035	3.5
135.11679	18.1
137.09618	4.4
137.13248	9.1
139.11203	1.4
141.07037	2.1
142.07780	4.0
143.08585	12.7
144.09335	3.5
145.10109	100.0
146.10472	3.0
147.08089	2.6
147.11682	16.9
147.25537	1.0
149.09627	3.8
149.13240	10.1
151.11157	1.5
151.14796	1.4
155.08556	6.3
156.09329	6.6
157.10112	20.1
158.10963	1.4
159.08038	3.2
159.11679	39.6
160.12228	1.9
161.09612	4.6
161.13237	11.9
163.03873	2.2
163.07533	1.4
163.11174	4.1
163.14803	6.4
165.12793	1.2
167.08562	3.0
168.09303	3.1
169.10104	18.1
170.10875	4.1
171.11688	20.0
173.02434	1.2
173.09627	4.6
173.13246	15.2
175.11201	3.4
175.14824	9.7
177.12730	3.0
177.16417	3.6
179.08565	1.2
179.14348	1.2
180.09351	1.6
181.10112	5.8
182.10915	4.2
183.11687	15.8
184.12326	1.3
185.09599	1.5
185.13261	13.8
187.11194	2.3
187.14787	13.1
189.12782	4.7
189.16383	12.7
191.14265	3.4
191.17943	15.4
193.10110	4.2
194.10904	3.1
195.11668	7.2
195.13542	1.9
196.12465	2.9
196.26642	1.0
197.13254	11.8
198.13612	1.2
199.03981	1.3
199.14795	15.4
201.12750	3.2
201.16371	11.4
203.14291	4.4
203.17931	10.1
205.15822	2.8
206.10982	1.1
207.11684	4.9
207.17502	1.5
208.12473	1.4
209.13280	12.3
210.13980	2.5
211.14803	14.5
212.15271	1.2
213.12775	1.5
213.16408	7.7
215.14337	7.4
215.17990	4.5
217.15852	8.2
217.19550	3.0
219.13757	1.9
219.17458	1.9
220.12642	1.2
221.13222	3.2
221.15282	1.9
222.13892	2.0
223.14859	5.3
224.15401	1.6
225.16338	6.8
227.17937	2.6
229.15872	15.8
229.19392	2.3
231.17444	1.7
233.13313	1.5
233.15482	1.7
235.14748	2.3
236.15535	1.4
237.16266	7.1
239.18016	6.1
241.16054	2.0
241.19569	1.6
243.17291	2.5
243.21069	1.9
247.16974	10.6
249.16327	4.6
250.16989	1.4
251.17944	15.5
253.19508	2.9
255.17554	1.4
255.21042	2.8
257.15475	1.4
257.18982	2.4
259.16998	2.3
263.18005	2.9
265.19519	6.7
267.17590	1.3
269.18967	2.2
269.22693	1.5
273.18628	1.2
279.21243	1.3
281.19019	2.1
281.22589	1.3
283.20590	2.2
297.22049	1.1
321.25812	3.6
345.26172	1.1
383.27225	1.8
389.32098	2.8
391.33752	2.0
395.29340	4.5
401.27972	8.9
407.33054	2.7
409.34647	3.0
419.22031	2.8
419.28885	5.4
419.33774	16.6
437.18970	3.3
437.29440	9.6
437.34921	47.1
438.35117	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3408
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05505	8.7
57.07071	2.7
61.85786	1.0
67.05495	12.6
69.03418	1.4
69.07061	10.8
71.04957	1.8
71.06365	2.9
79.05480	9.1
81.07043	23.5
83.04977	1.3
83.08611	4.0
83.94099	0.9
85.06537	2.0
91.05464	13.0
93.07028	22.7
95.04974	2.9
95.08591	35.9
97.06514	1.2
97.10165	2.5
103.05464	1.0
103.35050	1.0
105.07011	24.2
107.08577	30.7
109.06494	1.5
109.10138	18.8
111.08047	1.3
115.05472	1.1
117.07008	5.1
119.08567	28.7
121.06537	1.2
121.10139	22.3
123.08063	3.1
123.11689	9.0
128.06210	1.2
129.07005	3.6
131.08562	16.4
133.10117	24.5
135.11665	16.5
137.09628	2.0
137.13203	4.8
141.06952	2.2
142.07787	3.6
143.08539	12.2
144.09370	1.2
145.06494	1.1
145.10100	22.9
145.11238	1.2
147.08090	1.5
147.11659	21.2
149.09633	1.6
149.13239	9.2
151.11284	1.2
151.14787	1.3
155.08527	7.0
156.09352	4.0
157.10103	14.7
158.10941	1.7
159.08040	2.4
159.11665	16.5
161.09650	2.6
161.13243	12.6
163.11128	2.0
163.14815	4.4
165.12756	1.0
167.08607	3.0
168.09363	2.2
169.10103	9.1
170.10881	2.8
171.11653	11.2
173.09628	4.2
173.13217	9.8
175.11179	2.1
175.14777	9.3
177.12793	1.3
177.16389	2.7
179.14278	1.7
181.10098	3.2
182.10950	3.0
183.11670	8.0
184.12596	1.0
185.09654	1.3
185.13274	11.6
187.11130	2.4
187.14795	12.4
189.12767	3.4
189.16359	15.4
191.14313	2.3
191.17853	11.7
193.10165	1.5
195.11691	3.6
196.12474	2.5
197.13232	11.0
198.13882	1.4
199.14812	13.0
201.12785	4.4
201.16403	7.8
203.10600	1.1
203.14380	3.7
203.17911	7.6
205.19572	1.2
207.17421	2.1
208.12564	1.1
209.13292	4.7
211.11176	1.1
211.14818	8.8
213.12749	1.9
213.16420	4.7
215.14320	9.1
215.17975	2.9
217.15907	8.3
217.19519	3.9
219.13785	1.5
221.13318	1.8
223.14812	2.7
225.16505	3.8
227.14342	2.1
227.17960	3.2
229.15866	11.0
229.19614	3.2
231.17461	2.2
233.15472	1.9
235.14835	1.2
237.16397	2.4
239.17940	3.6
241.15897	1.7
241.19551	4.4
243.17459	2.3
243.21225	1.2
247.16859	5.6
249.16225	1.3
251.17929	2.5
253.19441	1.5
255.17569	2.1
255.21028	2.2
257.19009	2.6
263.17999	1.3
265.19553	3.2
267.20978	1.9
269.18997	3.9
269.22324	1.2
271.20508	1.5
277.19431	1.4
281.19073	3.0
283.20416	2.6
285.22244	2.9
299.20197	1.9
307.24344	1.3
309.22189	1.5
377.28622	1.7
389.32104	3.0
391.33771	2.4
401.32053	3.7
407.33133	4.6
409.34613	2.5
419.33115	30.7
420.33615	1.5
437.34213	100.0
438.34808	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.8
55.05503	10.9
57.07061	4.8
65.03941	1.5
67.05496	16.6
69.07061	15.0
69.36774	6.9
69.37199	10.5
78.38673	1.6
79.05485	9.6
81.07053	32.1
83.04951	1.8
83.08616	8.8
88.20640	1.5
91.05465	14.9
93.07037	24.4
95.04964	2.7
95.08595	46.5
97.10159	2.6
98.20763	3.6
98.21417	3.9
105.07018	41.3
107.08582	37.9
109.06509	1.7
109.10145	27.3
117.07020	8.2
119.08571	58.5
119.41469	1.5
121.10121	33.7
123.11702	13.5
129.06992	3.2
130.07794	1.5
131.08575	13.4
133.10117	40.3
135.11685	23.1
137.13255	6.3
143.08554	6.5
145.10100	28.9
147.11671	35.0
149.13243	16.7
151.14857	1.9
153.09088	2.4
157.10101	6.4
158.10922	4.4
159.11674	34.9
160.12454	1.9
161.13243	22.4
163.14812	6.6
169.10155	4.2
171.11710	6.1
173.13242	15.2
175.14810	27.1
177.16360	17.0
183.11646	1.7
185.13295	5.1
187.14792	15.3
189.16373	53.8
191.17946	6.8
197.13251	2.9
199.14832	6.3
201.16368	49.7
203.17928	54.0
204.18285	1.7
205.19525	2.2
207.17531	2.4
207.56583	1.7
213.16385	9.4
215.17914	22.8
215.19847	1.7
217.19499	4.2
221.15485	1.6
227.17993	5.3
229.19502	7.6
235.16899	3.0
241.19524	4.9
243.21074	5.0
247.16913	4.0
249.18584	2.1
253.19489	2.4
255.21149	2.6
259.16833	3.0
261.18503	5.1
267.21237	2.2
269.22583	2.8
273.18692	1.6
275.19995	2.6
299.19934	2.3
338.46643	1.6
381.28024	1.9
391.33456	12.3
419.33206	1.8
425.94257	1.6
437.34189	100.0
438.34467	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	437.3409
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03942	1.4
53.47828	0.7
55.01865	1.0
55.05502	9.1
56.96568	1.6
57.03459	1.7
57.07071	4.3
59.04991	2.5
61.02923	1.1
61.46853	0.8
65.03938	1.7
67.05494	17.5
67.05816	1.4
69.03426	4.0
69.07056	16.1
69.67363	6.6
71.04999	1.3
79.05477	13.9
81.03434	3.2
81.07045	31.7
83.05003	3.1
83.08602	8.5
85.02897	3.8
85.06522	1.4
91.05465	16.5
93.07033	27.9
95.04967	4.7
95.08595	48.8
97.02900	1.6
97.06535	3.0
97.10175	3.3
98.20761	1.4
99.08134	1.5
103.05460	1.4
105.07014	34.8
107.04991	0.9
107.08582	40.1
109.02937	1.0
109.06525	3.2
109.08988	0.9
109.10139	22.8
111.04423	0.9
111.08112	3.5
115.05502	1.7
117.06994	8.7
119.08561	40.7
121.06528	3.6
121.10127	29.1
122.10461	0.9
123.04461	1.6
123.08083	2.5
123.11692	9.6
123.12393	0.7
125.09669	2.8
127.03970	1.3
127.11217	0.8
128.05220	0.7
128.06178	1.9
129.06989	5.2
130.07799	1.8
131.04964	0.9
131.08548	17.6
131.09468	1.1
133.06473	1.9
133.10103	32.0
135.08012	4.5
135.11667	23.0
135.12651	1.4
137.09647	2.7
137.13245	8.5
139.03946	1.5
139.07561	1.1
141.07059	2.6
142.07829	3.0
143.08553	13.5
144.09335	2.6
145.06461	1.0
145.10098	31.0
146.10561	1.1
147.08102	2.6
147.11662	25.1
149.09676	3.2
149.13234	11.5
151.11191	1.8
151.14874	1.3
153.06966	1.0
154.07794	1.2
155.08525	8.0
156.09331	5.4
157.10106	20.0
158.10902	2.4
159.08049	4.1
159.11662	20.9
160.12419	0.9
161.09605	5.2
161.13237	14.0
163.11247	2.6
163.14822	6.2
165.09157	1.1
167.08588	2.6
168.09381	3.5
169.10103	13.6
170.10986	3.3
171.08073	1.0
171.11668	17.0
172.12480	1.3
173.09602	5.0
173.13220	16.6
174.13818	1.6
175.11243	3.6
175.14833	10.3
175.16281	1.1
177.12820	2.3
177.16440	3.4
179.14359	1.7
181.10025	4.4
182.10970	2.6
183.11647	12.5
184.12506	1.5
185.09644	1.2
185.13239	15.3
187.11171	4.0
187.14798	19.7
187.16356	1.1
188.15268	1.1
189.12769	5.4
189.16353	17.3
189.18028	0.9
191.14366	3.7
191.17912	14.6
191.19508	1.0
193.10204	1.6
193.12251	1.0
194.10991	1.4
195.11717	5.8
196.12534	2.3
197.09673	1.2
197.13249	11.7
199.11317	2.4
199.14775	13.4
201.12746	4.8
201.16362	13.9
203.14368	5.8
203.17950	11.2
205.15924	2.7
205.19553	1.6
207.11708	1.2
207.13966	1.1
207.17499	2.7
208.12540	0.9
209.13271	5.4
209.96472	0.8
211.14844	10.7
213.12907	1.6
213.16328	6.3
215.14287	9.9
215.17906	4.3
217.15865	6.9
217.19415	4.9
219.13959	1.3
221.13359	1.7
222.14093	1.1
223.14825	4.7
224.15504	1.0
225.16415	4.4
227.14404	2.5
227.18015	3.2
229.15895	13.0
229.19437	4.1
231.17490	2.7
233.15459	3.0
237.16464	3.1
239.17998	3.2
241.15921	1.5
241.19691	2.5
243.17563	3.1
243.21069	1.7
245.15416	0.9
245.19205	1.2
247.14714	1.2
247.16908	6.7
249.16666	1.5
251.18130	2.9
253.16319	1.1
253.19572	3.5
255.17542	2.6
255.21114	2.4
257.15036	1.4
257.19153	3.2
259.17136	1.0
263.18018	2.1
265.19507	4.7
267.09036	1.8
267.17569	1.7
267.21210	3.4
269.12509	3.2
269.19098	3.8
269.22699	1.4
273.22183	0.9
275.15936	4.1
277.19714	1.4
279.21078	1.5
281.19073	3.1
281.22125	1.0
283.20657	3.2
285.10178	3.3
285.22153	3.8
287.20245	1.3
291.21027	1.2
295.24185	1.0
297.22342	1.7
299.20193	1.4
307.24234	1.5
311.23816	1.2
313.21722	1.1
319.24301	1.3
321.25870	2.4
324.11588	1.9
333.25641	1.2
337.25439	1.1
345.25745	1.1
349.25421	1.3
353.24896	1.0
363.26843	1.9
381.27731	1.3
389.32248	2.7
391.29785	1.3
391.34125	2.0
393.31171	1.2
401.32254	4.2
407.33173	4.3
409.34882	2.8
419.33179	31.0
420.33890	1.1
437.05148	3.3
437.15756	2.2
437.21545	9.6
437.34381	100.0
438.22198	1.0
438.34866	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	437.3409
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03926	1.3
55.01887	1.2
55.05503	7.5
57.07071	5.1
57.20480	1.0
59.05002	1.7
67.05495	18.9
67.97427	1.1
69.03452	1.4
69.07056	16.7
70.03762	5.5
71.04978	1.6
79.05493	11.4
81.03404	1.3
81.07050	31.3
81.07505	2.3
83.04980	3.8
83.08610	7.8
85.06553	1.4
91.05466	15.2
91.05984	1.2
93.07030	24.9
93.07595	1.3
95.04985	3.2
95.08595	51.6
97.06530	2.3
97.10167	2.3
99.08080	1.3
105.07026	32.4
107.04943	1.4
107.08582	36.1
108.08946	1.2
109.06528	4.7
109.10138	22.9
109.36487	1.0
111.08068	2.1
111.11732	1.1
115.05465	1.9
117.07010	6.3
117.13637	1.0
119.08565	39.5
121.06511	2.5
121.10124	28.9
123.08089	3.7
123.11671	11.3
128.06238	2.2
129.07048	4.5
130.07758	1.9
131.08556	21.2
133.06589	2.1
133.10118	34.6
135.08058	4.1
135.11676	24.9
137.09647	1.6
137.13242	10.7
141.07042	1.9
142.07782	3.2
143.08546	13.7
144.09410	1.6
145.06512	1.0
145.10110	29.7
147.08112	2.5
147.11671	25.8
147.12714	1.9
149.02341	1.2
149.09677	3.3
149.13240	12.3
149.14116	1.0
151.14886	1.2
153.07019	1.5
155.08513	7.5
156.09406	5.3
157.10117	20.0
158.07330	1.3
158.10939	2.7
159.08081	5.0
159.11673	23.8
161.09689	3.6
161.13219	13.3
161.14359	1.0
163.11264	3.8
163.14812	5.5
165.06972	1.5
165.12775	1.5
167.08611	2.3
168.09377	3.0
169.10135	11.4
170.10928	3.3
171.11667	13.8
172.12466	1.1
173.09657	4.9
173.13235	15.4
173.14632	1.5
175.11206	3.6
175.14825	11.6
177.09267	1.2
177.12767	2.3
177.16420	3.1
179.08620	1.5
181.10191	4.5
182.10954	2.8
183.11671	11.9
183.12880	1.1
185.09697	2.4
185.13260	14.2
187.11250	2.5
187.14801	19.6
187.16382	1.4
189.12827	3.8
189.16360	20.2
191.14339	2.8
191.17923	14.6
193.10019	1.5
194.10898	1.4
195.11771	4.5
196.12517	1.7
197.09685	1.3
197.13219	15.0
199.11305	1.4
199.14761	11.4
200.15248	1.4
201.12778	5.9
201.16330	14.4
203.10532	2.1
203.14386	4.4
203.17928	11.7
203.19397	1.0
205.12299	1.2
205.16048	3.8
205.19562	2.2
207.11783	1.4
207.17435	1.6
208.12474	1.1
209.13399	3.5
211.11267	3.9
211.14793	11.1
213.12831	2.3
213.16359	5.4
215.10800	1.5
215.14325	11.2
215.17751	5.5
217.12387	1.5
217.15878	8.7
217.19571	4.5
219.13959	1.4
221.13380	2.0
223.14912	4.3
225.16498	4.7
227.14485	2.0
227.17947	2.3
229.12328	2.5
229.15883	14.5
229.19621	3.0
231.13998	1.3
231.17599	2.2
233.11798	3.1
233.15448	2.5
235.14905	2.0
237.16484	1.9
239.18056	3.8
241.15938	2.7
241.19496	2.4
243.17635	2.4
243.21146	2.8
247.16824	7.1
249.16478	1.5
251.18028	2.7
253.15884	1.4
253.19632	4.0
255.17577	1.6
255.21199	2.5
257.19147	2.8
263.18118	1.9
265.19556	3.0
267.17728	1.6
267.21225	3.3
269.19165	2.9
269.22672	1.5
271.20645	2.1
273.18491	1.6
275.20233	4.3
279.21173	2.6
281.19156	3.2
283.20645	2.7
285.22208	3.3
295.21033	1.1
295.24442	1.5
297.22260	2.3
299.20041	2.6
305.19485	1.3
319.24219	1.4
321.25885	1.7
373.29132	1.6
389.31900	2.6
391.29691	2.1
391.34058	1.8
401.32272	4.1
407.33270	5.6
409.35071	2.3
419.33307	32.2
420.33563	2.4
437.24899	3.3
437.34390	100.0
438.29260	1.9
438.34735	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	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.3
57.07069	4.3
67.05495	15.6
69.06711	1.1
69.07059	14.1
69.07909	0.7
71.08611	2.6
71.44420	0.8
72.68554	0.8
79.05480	8.2
81.07047	37.4
83.08606	6.7
85.10193	1.5
89.06002	1.6
91.05463	8.1
93.07032	14.5
95.04972	1.3
95.08594	64.7
95.30663	0.9
97.06500	1.0
97.10154	3.3
98.21127	4.6
102.91982	0.9
105.07014	22.5
107.08576	28.7
109.10143	26.4
111.08067	1.2
117.06990	4.2
119.08563	40.9
121.10126	21.9
123.08082	1.0
123.11681	13.0
125.09695	1.0
128.06192	0.8
129.06978	3.0
130.07816	1.1
131.08537	11.7
133.08583	1.2
133.10114	20.0
135.11678	12.6
137.13242	9.0
142.07829	1.3
143.08546	5.3
144.09274	1.1
145.10109	31.8
145.11269	1.6
147.11658	18.5
149.13240	9.8
151.07698	1.1
151.14801	7.4
153.09085	1.9
155.08534	2.0
156.09332	1.0
157.10109	7.1
158.10880	1.1
159.11685	18.2
161.13223	12.7
163.07520	1.1
163.14793	10.2
169.10110	3.8
171.11633	10.9
172.12253	1.1
173.13258	14.9
175.14787	22.5
177.09091	2.4
177.16379	7.1
179.17975	1.2
183.11665	4.2
185.13205	4.6
187.14790	8.7
189.16356	20.3
191.17943	10.2
197.13210	4.1
199.14761	7.5
201.16360	23.4
203.17935	18.4
205.19453	1.6
209.13144	0.9
211.14825	3.1
213.16289	9.7
215.17924	11.6
217.12140	1.5
217.19516	5.3
221.15373	2.5
223.14856	1.2
225.16357	3.2
227.17912	4.7
229.15878	1.2
229.19411	5.2
231.17474	1.2
231.21138	1.0
237.16309	1.2
239.15555	1.5
239.17889	8.5
241.19470	15.0
243.21024	8.6
245.15491	1.1
247.16933	6.9
253.19489	4.2
255.21071	5.8
259.17004	4.1
259.20535	3.3
261.18472	2.0
265.19424	1.6
267.21002	3.1
269.22787	2.2
273.18454	2.4
275.20157	1.6
279.21021	1.4
281.22653	3.1
285.18527	7.3
287.19873	4.0
293.22647	1.9
295.24182	5.1
299.19971	3.7
307.24268	1.8
313.21561	2.3
315.23120	1.3
321.25711	1.4
327.23203	1.8
334.26031	0.9
335.27322	3.7
341.24643	1.1
349.28958	1.7
353.24863	1.7
367.26428	1.3
381.28073	1.4
391.33533	21.7
392.33859	1.1
419.33151	2.3
437.34125	100.0
438.34445	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05504	3.9
57.07064	1.6
67.05493	6.5
69.07056	5.9
70.43908	1.5
70.44308	1.6
79.05488	4.9
81.07050	15.5
83.08604	3.3
84.05164	0.8
91.05476	6.4
93.07037	13.2
95.04946	0.9
95.08595	33.2
97.10137	2.3
103.05487	0.8
105.07020	16.7
107.08583	24.2
108.08940	0.9
109.06510	0.9
109.10147	16.2
110.52903	0.7
117.07009	3.4
119.08571	54.1
121.10124	15.7
123.11685	4.8
125.05984	0.8
130.07806	1.3
131.08559	6.7
133.10115	31.7
135.08049	1.1
135.11707	8.1
137.13266	1.4
139.07491	1.0
143.08553	2.6
144.09299	2.8
145.10103	45.3
147.11673	21.9
148.11919	0.9
149.13264	8.1
150.22920	0.7
151.14825	0.8
153.09096	2.0
157.10135	2.5
158.10889	1.5
159.11676	69.5
160.12247	0.9
161.13231	12.1
163.14833	8.4
167.10674	1.2
170.10965	0.9
171.11679	2.7
172.12416	1.2
173.13255	12.2
175.14798	9.4
177.16356	9.4
178.16563	0.9
183.11682	0.9
185.13261	3.2
185.19151	0.7
187.14804	51.8
188.15114	1.5
189.16362	76.1
190.16736	1.6
191.17905	7.1
193.12129	0.7
199.14824	3.1
201.16370	17.2
202.69347	0.8
203.17938	24.0
204.18277	0.9
205.15881	4.4
205.19510	2.3
207.17421	1.7
213.16362	14.7
215.17928	8.9
217.19492	2.5
219.21031	3.0
227.17836	4.3
229.19513	3.0
231.17348	0.9
231.21043	1.1
235.16867	4.9
241.19518	2.7
243.21153	1.0
247.17014	1.7
249.18520	3.0
259.16919	2.8
391.33594	14.3
409.34619	4.4
419.33124	1.9
437.34119	100.0
438.34552	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.0
54.50000	0.7
55.05501	5.0
57.07048	2.8
58.67391	0.7
63.64987	0.7
67.05492	6.8
69.07056	11.2
70.15004	3.0
70.15417	1.3
71.08617	1.0
79.05499	4.2
81.07049	17.5
83.08595	5.7
91.05462	6.6
93.07025	14.0
95.08595	34.9
97.10166	2.3
105.06502	0.7
105.07016	23.6
107.08579	27.2
109.10143	17.8
111.08061	1.0
111.11681	0.8
117.07005	2.6
119.08567	49.0
121.10130	21.1
123.11698	9.6
129.07002	1.6
130.07776	1.2
131.08559	8.7
133.10112	35.9
135.11676	15.7
137.13217	4.5
139.07497	1.1
143.08565	3.0
144.09354	1.6
145.10098	27.4
147.11667	26.1
149.09644	1.0
149.13243	10.8
153.09093	2.9
157.10110	3.6
157.11337	0.7
158.10904	1.8
159.11668	33.4
160.12349	0.8
161.13231	17.0
163.14809	7.3
165.09183	0.9
167.10631	1.1
169.10141	1.6
171.11656	4.7
172.12398	1.1
173.13275	11.3
174.13950	1.1
175.14804	23.8
175.16261	1.5
177.09120	0.7
177.16362	20.2
185.13261	3.1
187.14803	18.3
189.16359	89.9
190.16748	1.7
191.17940	9.1
193.12184	1.0
197.13339	1.5
199.14833	5.8
201.16359	41.8
202.16684	1.7
203.17932	47.1
204.18210	0.9
205.15909	1.8
205.19600	2.1
207.17422	1.6
211.14816	1.5
213.16370	9.5
215.17934	21.8
217.15886	1.0
217.19537	4.3
219.17490	1.2
221.15302	1.8
221.19058	1.0
227.17938	3.3
229.19516	3.9
231.17438	1.3
235.16969	3.5
239.17957	1.5
241.19542	5.2
243.21083	2.8
247.16856	5.6
249.18387	3.7
253.19542	1.4
255.21112	2.2
259.16898	4.5
261.18478	4.9
267.21017	2.0
269.22537	1.5
273.18552	1.0
285.18597	1.3
287.20099	1.4
289.21609	0.8
299.20029	1.5
301.21420	0.9
307.24524	1.0
313.21762	0.9
315.23175	1.2
321.25809	1.2
341.24667	0.8
349.29224	1.4
353.24515	1.0
367.26270	0.9
387.87943	0.8
391.33560	14.1
395.29431	2.0
409.34497	2.2
419.33099	1.9
437.34113	100.0
438.34421	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05502	7.2
57.07059	3.2
62.18180	1.0
67.05495	9.0
69.07062	8.9
69.78674	5.5
71.08611	1.1
79.05475	5.8
81.07046	18.9
83.08611	5.6
91.05459	7.3
93.07030	14.4
95.04972	1.5
95.08591	36.7
95.63651	0.7
97.10159	2.0
103.05479	1.2
103.13214	0.9
105.07018	24.5
107.08578	33.1
109.06493	2.1
109.10143	18.1
111.47105	1.1
117.07008	4.6
119.08565	44.0
120.08886	1.0
121.10125	28.2
123.11693	10.9
125.09673	0.8
128.06189	1.2
129.07031	1.0
130.07747	1.5
131.08554	11.0
133.10109	33.9
135.11682	13.7
137.13255	3.5
139.07434	0.9
143.08566	3.9
144.09299	2.0
145.10106	25.1
147.11662	28.3
149.13254	8.8
153.09073	5.1
157.10130	5.0
158.10913	1.2
159.11664	28.0
160.12405	1.6
161.13229	22.4
163.07451	0.8
163.14828	5.9
165.09122	1.0
167.10692	1.6
169.10127	1.4
171.11671	3.8
172.12447	1.1
173.13249	12.0
174.14050	2.4
175.14809	17.3
177.09160	1.1
177.16359	20.1
179.10606	0.9
183.11632	1.7
185.13235	5.0
187.14799	20.3
189.16353	100.0
190.16695	2.2
191.17856	5.9
193.12138	1.4
197.13280	1.5
199.14801	8.5
201.16356	30.8
203.17920	48.4
204.18271	1.0
205.19492	6.9
211.14793	1.7
213.16292	5.0
215.17899	19.0
217.19510	3.3
221.18948	1.2
223.16919	1.3
225.16338	1.9
227.17995	2.7
229.19460	2.9
231.17459	2.2
235.16919	2.1
239.17984	2.4
241.19563	1.3
243.21109	3.1
247.16838	8.4
249.18558	7.7
251.86697	0.8
253.19460	1.6
255.21107	2.4
259.16818	1.3
261.18439	5.5
269.22601	1.8
285.18521	1.9
289.21631	1.2
294.87650	1.0
295.24271	4.4
299.20102	1.1
301.21643	1.0
315.23294	1.3
349.28775	5.0
391.33591	13.4
394.28683	1.7
395.29248	5.7
419.33139	1.6
437.34125	80.1
438.34442	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05505	8.0
57.07074	4.5
57.85900	0.9
67.05498	12.7
69.07064	14.9
70.70055	2.6
70.70419	1.7
71.08615	1.7
77.39539	1.1
79.05483	9.1
81.07047	28.3
83.04972	1.0
83.08619	8.1
91.05470	11.9
93.07033	23.1
95.04962	1.9
95.08598	49.3
97.10170	2.7
103.05424	1.0
105.07017	37.5
107.08584	42.4
109.10143	21.1
111.11716	1.2
117.06995	5.8
119.08569	54.9
121.10127	31.3
123.07958	1.4
123.11710	11.0
125.09667	1.1
129.07024	1.8
130.07883	1.2
131.08539	15.8
132.09274	1.0
133.10118	40.8
134.10518	0.9
135.11690	19.6
137.13252	4.0
139.07483	1.2
143.08527	6.5
144.09326	2.2
145.10109	32.9
147.11673	32.6
149.13252	11.7
153.09143	3.8
157.10097	6.5
158.10910	1.5
159.11676	30.2
160.12378	1.6
161.13243	15.8
163.07547	1.4
163.14818	6.7
165.09183	1.2
167.10655	1.0
169.10147	1.9
171.11650	6.1
173.09569	1.0
173.13222	11.6
174.14066	1.1
175.14810	20.2
177.09061	1.7
177.16364	12.5
183.11658	3.1
185.13208	4.7
186.13995	1.3
187.14813	10.0
189.16365	47.4
190.16763	1.3
191.17929	9.8
193.15831	1.0
197.13216	2.7
199.14830	4.3
201.16373	44.7
202.16724	1.8
203.17931	48.3
204.18365	1.4
205.19490	2.4
207.13718	1.1
207.17587	1.2
211.14886	2.3
213.16400	6.0
215.14638	1.1
215.17972	19.2
217.19435	5.0
221.15295	2.0
225.16428	1.8
227.17976	2.6
229.15955	1.0
229.19577	3.4
231.17404	2.3
233.15384	1.3
235.16924	4.1
237.16307	1.0
239.14926	1.0
239.17969	1.8
241.19565	2.8
243.21083	4.5
247.16879	7.1
249.18510	2.3
253.19536	3.1
255.21094	2.5
261.18436	7.2
267.21155	1.6
269.22598	2.7
273.18396	1.8
287.20193	1.9
295.24124	4.7
299.19928	2.3
301.21533	2.3
313.21521	1.6
315.23340	2.0
321.25787	1.6
327.23172	1.1
335.27399	1.5
339.29077	1.3
349.29041	1.4
353.24808	1.2
381.27884	1.8
391.33575	13.9
394.28683	3.6
419.33075	1.6
437.34149	100.0
438.34216	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	437.3409
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03922	0.5
55.05286	0.4
55.05500	4.3
57.07049	1.4
65.03931	0.6
67.05506	5.5
69.07059	6.9
70.42105	1.8
79.05475	5.6
81.07046	11.1
83.04978	0.6
83.08612	2.7
85.10213	0.4
91.05466	5.7
93.07035	10.4
94.19730	0.5
95.04949	0.5
95.08595	30.5
97.10148	1.4
105.07020	14.1
107.08582	24.0
108.09044	0.5
109.06493	1.0
109.10142	14.9
111.08070	0.9
117.06993	1.8
119.08566	49.0
120.08839	0.6
121.10130	14.4
121.10998	1.0
123.08047	0.5
123.11659	3.3
125.05947	0.6
128.06111	0.6
129.06931	0.8
130.07773	0.9
131.08546	5.7
133.10115	36.5
135.08011	1.3
135.11670	7.6
137.13248	1.2
139.07532	1.1
143.08522	1.7
144.09280	1.6
145.10101	24.9
146.10799	0.9
147.11668	23.9
149.09615	1.1
149.13223	4.6
151.14801	0.6
153.09076	3.2
157.10091	2.9
158.10863	1.5
159.11673	35.9
160.12320	1.6
161.13235	9.2
163.11160	0.8
163.14787	4.5
167.10663	1.5
169.10118	0.6
170.10872	0.6
171.11620	2.3
173.09602	0.6
173.13251	8.1
174.13974	1.1
175.14799	8.4
177.16368	9.0
179.10684	0.9
183.11653	0.6
185.13234	2.0
187.14799	32.4
188.15211	0.7
189.16357	73.7
190.16685	1.9
191.17909	6.3
197.13301	0.7
199.14803	2.5
201.16351	14.6
203.17935	21.4
204.18277	0.9
205.15857	6.1
205.19510	2.5
207.17400	1.3
213.16339	5.5
214.16669	0.5
215.17958	5.7
217.15831	1.3
217.19524	1.2
219.17419	0.5
219.21053	1.0
221.15302	0.6
225.16264	0.9
227.17921	2.1
229.19514	1.9
231.17416	0.8
235.16882	2.7
239.17854	0.7
241.19551	1.4
243.21008	1.5
247.14552	0.5
247.16875	2.2
249.18513	2.4
255.20953	0.7
261.18509	0.9
269.22562	0.7
285.18613	0.5
295.24130	1.9
313.25192	1.1
321.25665	0.7
335.27097	0.6
343.26080	0.6
368.41293	0.5
391.33499	6.3
409.34653	2.7
419.33136	1.1
437.34113	100.0
438.34399	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	437.341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38897	1.4
50.53024	1.5
54.98012	1.4
55.05500	7.9
57.07053	4.3
61.87437	1.5
67.05500	20.7
69.07065	15.7
70.63367	5.2
71.08617	1.7
78.43418	1.7
79.05475	9.9
81.07052	40.4
83.08610	8.9
91.05475	7.6
93.07025	18.1
95.08598	60.6
97.10178	3.2
102.45900	1.5
105.06996	18.6
105.07563	1.6
107.08591	24.8
109.06545	2.5
109.10147	24.8
110.10480	1.5
111.08134	1.4
111.11733	2.1
117.06998	5.7
119.08566	30.5
121.10138	18.9
123.08133	2.3
123.11699	12.7
129.07004	2.4
131.08566	10.9
133.10124	19.2
135.11705	13.4
137.13252	9.7
142.07866	1.7
143.08582	5.9
144.67368	1.9
145.10107	26.1
147.11670	16.5
149.13245	10.1
151.14861	6.6
155.08556	2.0
156.09401	2.0
157.10150	6.7
159.11679	14.7
161.09669	2.2
161.13216	11.5
163.14780	9.6
169.10170	4.2
171.11694	12.7
173.13234	12.6
175.14821	20.7
175.16235	1.9
177.16412	7.9
183.11665	4.9
185.13336	4.6
187.14804	8.8
189.16335	14.0
191.17883	9.2
193.12376	1.8
197.13332	5.1
199.14850	7.3
201.12785	1.9
201.16353	22.2
203.17932	17.0
209.13309	2.5
211.14873	4.3
213.16379	9.8
215.17982	6.9
217.19534	3.4
221.15402	2.9
223.14775	2.5
225.16333	3.0
227.17871	3.9
229.19536	5.3
231.13957	1.7
237.16235	1.7
239.17859	7.5
241.19463	17.6
243.21075	8.0
245.15533	2.7
247.16911	4.2
253.19589	5.8
255.21170	6.2
259.17065	3.6
259.20462	2.6
267.21060	4.1
269.22784	2.3
275.20148	3.8
281.22653	2.4
285.18393	11.3
287.20175	6.7
295.24173	3.2
299.20102	5.2
301.21536	2.1
307.24548	3.0
313.21695	3.9
321.25751	2.0
327.23404	1.6
335.27399	3.9
339.23453	1.7
349.29416	1.8
367.26340	2.3
381.27954	2.2
388.32184	1.6
391.33499	22.3
419.33582	3.6
437.34329	100.0
438.34668	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98911	0.9
53.02880	0.8
55.01854	1.0
55.05500	3.2
56.96547	1.3
57.03428	1.5
58.06537	0.9
60.04514	3.6
62.06082	75.1
64.08589	0.9
67.05504	4.8
69.03417	3.9
69.07061	3.0
70.06576	3.5
71.04981	3.7
72.08146	1.1
73.02911	0.9
79.05507	4.7
81.03401	2.7
81.07047	8.7
83.04971	1.2
83.08600	2.8
85.02895	6.5
85.06512	2.0
86.09663	1.0
91.05458	3.3
93.07059	5.0
93.07550	1.0
95.04971	2.4
95.08597	12.4
97.02873	3.0
97.06517	4.4
97.10168	1.1
98.06056	1.8
98.20669	1.2
99.04456	2.0
99.08063	1.2
105.07023	3.9
106.44213	0.8
107.08573	3.7
109.06532	2.2
109.10126	2.9
111.04428	1.2
111.08057	1.7
116.98540	1.2
117.07052	1.1
119.04951	1.2
119.08559	5.6
120.08047	0.9
121.06492	1.0
121.10117	3.3
123.04404	2.4
123.08044	3.5
126.05424	0.9
127.03849	1.5
127.07504	1.5
128.10742	1.3
131.08594	1.1
133.10144	5.0
135.11687	2.4
137.09570	1.8
139.03911	2.1
140.10712	3.3
145.04958	1.2
145.10127	1.6
147.04385	2.8
153.01779	1.1
159.11679	1.3
161.13235	5.1
163.03960	2.1
163.11183	1.1
166.54950	0.9
167.06987	1.0
177.09088	0.8
179.14297	1.9
181.12285	0.8
185.13234	0.8
201.07254	0.8
222.18468	0.9
223.13321	1.2
223.16817	1.1
240.19557	28.2
241.14296	1.9
241.17882	2.0
258.20618	100.0
259.20947	2.6
276.21689	16.6
319.10425	0.9
402.24722	1.4
420.25763	3.2
439.15131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01853	4.9
55.05264	3.8
55.05504	66.8
56.96573	18.6
58.32630	3.7
67.05489	51.3
69.03394	11.4
69.07049	24.4
69.37733	31.2
69.38154	9.4
71.04974	7.0
79.05482	50.1
81.07044	54.8
83.04956	9.7
83.08607	42.7
85.02895	4.9
85.06563	4.1
91.05466	39.6
93.07026	39.6
95.04948	13.1
95.08591	45.7
96.08901	4.5
97.10157	74.3
103.05428	7.4
105.07011	53.0
106.07330	5.6
107.04930	8.6
107.08572	51.0
108.08926	4.5
109.06525	4.7
109.10122	37.8
110.10466	6.3
111.08061	7.3
117.06984	23.7
119.08577	50.0
120.08886	8.8
121.06472	6.7
121.10107	20.3
122.10397	6.6
123.08026	8.2
123.11683	4.8
125.09620	58.1
129.06993	10.8
131.08563	31.9
133.06450	11.3
133.10127	29.6
134.06738	4.8
134.10411	8.6
135.08022	12.2
135.11658	17.4
141.06940	8.5
142.07805	5.1
143.08537	17.7
145.06454	14.0
145.10097	33.1
146.10406	4.6
147.08081	5.9
147.11653	13.3
148.11928	4.1
149.02321	52.6
149.03438	7.4
149.09586	4.3
149.13203	7.5
153.09042	5.7
155.08537	7.9
157.10085	15.4
159.08052	6.2
159.11656	16.1
160.12047	5.5
161.09624	5.4
161.13239	9.1
163.11288	5.4
163.14781	10.1
169.10048	6.2
171.07980	8.4
171.10178	4.0
171.11646	14.3
173.09528	5.1
173.13211	16.9
175.11172	4.9
175.14767	11.1
177.12766	5.3
181.09981	5.6
183.11743	5.1
184.12018	4.4
185.13203	9.7
187.14822	35.1
188.15034	5.4
189.11212	52.2
189.12709	6.4
189.16364	12.3
190.16701	4.2
191.14319	8.0
191.17810	8.4
193.04950	100.0
195.11656	4.9
197.13214	16.4
199.14790	6.7
201.12617	6.1
201.16365	23.0
203.14261	6.6
203.17885	8.7
204.14621	5.0
209.13190	6.1
211.14777	5.5
213.07971	4.8
215.14291	65.5
229.16203	4.7
230.16096	4.9
233.15233	19.1
247.16994	5.1
255.09195	4.8
259.13266	5.0
269.10675	8.8
306.53528	4.1
307.15744	4.1
331.15863	22.0
332.13132	4.7
339.23218	4.9
349.16757	44.9
349.21545	16.5
351.18979	3.9
357.23917	6.2
367.17886	23.7
367.22617	44.7
372.18341	7.2
375.25403	5.7
385.23718	71.3
390.19193	10.5
403.24799	79.2
419.31235	3.9
420.33801	8.2
423.32278	4.3
438.23209	5.3
438.28702	25.1
438.34445	43.9
439.26648	5.7
439.32162	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	439.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63886	0.2
53.03941	0.2
55.05504	0.5
55.46841	0.2
55.91105	0.2
57.66419	0.2
67.05486	1.0
68.99775	0.7
69.03421	1.2
69.07064	0.8
70.76945	0.3
70.77306	0.6
79.05466	0.3
81.03417	0.3
81.07045	1.6
83.08594	0.3
85.02901	0.8
85.06544	0.3
91.05463	1.2
93.07022	1.6
95.01105	0.4
95.04952	0.5
95.08611	1.2
96.01865	0.4
97.02752	0.4
97.06534	0.4
99.04473	0.3
99.08096	0.4
105.07015	1.6
107.08577	2.1
109.02831	0.3
109.06541	0.4
109.10157	0.8
111.04420	0.2
111.08076	0.2
113.02111	0.7
117.06966	0.4
119.08561	2.3
120.08057	0.4
121.06486	0.5
121.10152	0.9
123.04404	0.8
123.11706	0.3
125.02139	0.7
127.03812	0.5
128.04440	0.4
129.06960	0.5
131.08553	1.5
133.10112	1.3
135.08031	0.5
137.02319	0.3
137.09622	0.3
139.03906	0.4
141.05222	0.4
143.08582	0.7
145.10094	1.3
147.04404	0.3
147.07954	0.4
147.11664	1.3
149.13239	0.3
151.03848	0.6
153.01808	6.8
157.04727	0.5
157.06490	0.3
157.10106	0.6
159.11632	1.4
161.09604	0.3
161.13206	0.3
163.03894	1.0
163.14838	0.4
165.09103	0.3
167.04858	0.3
169.04706	0.5
169.10078	0.3
171.04384	0.3
171.11742	0.6
173.09564	0.3
173.13239	1.0
175.11058	0.3
175.14790	0.7
179.03374	3.5
183.04372	0.5
183.11699	0.3
185.04230	0.4
185.05899	0.3
185.13271	0.7
186.04951	0.5
187.14836	1.4
189.05421	0.4
189.16414	0.4
191.03415	1.2
191.14294	0.8
195.02916	0.6
197.05977	0.4
197.13268	0.3
199.03889	0.6
199.14780	0.5
200.04729	1.0
201.03723	0.6
201.05496	0.6
201.16376	0.8
203.05255	2.8
204.04256	0.3
205.04971	0.8
207.02841	2.4
207.04504	0.3
207.13562	0.3
208.03368	0.4
211.03941	0.9
211.14841	0.3
212.04118	0.3
213.05443	0.9
213.16280	0.3
217.05005	0.6
219.03008	0.4
219.13910	0.5
221.06120	0.3
223.03893	0.4
225.05377	1.2
228.04190	1.0
229.04890	1.0
231.02899	0.6
233.04301	0.3
235.02367	0.5
235.07437	0.2
239.03381	0.9
241.04927	0.5
245.04445	0.4
247.02315	0.3
253.04944	1.3
256.03680	0.6
257.04456	0.6
258.05057	0.4
259.16653	2.8
260.03235	0.4
261.14926	0.2
263.06854	0.4
267.02814	1.2
269.04398	0.5
273.09390	0.3
277.14529	0.4
277.17758	2.7
279.06549	0.2
281.04507	0.4
281.07803	0.2
285.04068	0.4
290.05658	0.3
291.06430	0.8
294.05054	0.3
295.02374	2.1
295.05673	0.4
301.05127	0.3
309.04294	0.2
309.07684	0.7
313.03372	2.2
319.05902	2.5
322.04797	0.4
329.04425	0.5
330.04614	0.3
333.25989	0.3
335.05801	0.3
337.07117	1.9
347.05469	3.8
348.06027	0.6
350.04181	0.5
351.04895	0.5
364.05774	0.4
365.06613	2.5
366.06876	0.3
369.18839	6.6
375.05032	2.6
375.09348	0.4
376.05307	0.6
379.04050	0.3
393.06003	3.3
394.06406	0.7
403.04422	1.0
407.04114	0.3
409.31049	0.4
410.06345	1.2
411.07089	0.8
421.05536	9.4
421.31030	0.9
422.05832	1.6
439.06659	15.7
439.23001	100.0
440.06744	2.1
440.23398	5.2
444.15698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2296
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
51.22346	0.3
55.05497	0.7
67.05490	0.9
69.03422	0.5
69.07044	1.2
69.34826	3.1
71.04965	0.4
73.02911	0.3
79.05482	1.2
81.07047	1.6
82.48002	0.3
83.01086	0.3
85.02885	1.1
91.05454	1.2
93.06540	0.3
93.07034	1.8
95.01079	0.3
95.04982	0.5
95.08601	2.3
96.01808	0.3
97.02816	0.4
97.06545	0.3
99.08070	0.6
105.07017	2.3
107.08560	1.8
108.19724	0.3
109.02837	0.4
109.06520	0.4
109.10136	1.2
113.02096	0.6
115.03889	0.4
117.06994	0.3
119.07171	0.3
119.08576	3.1
120.08932	0.4
121.06505	0.6
121.10119	1.3
123.08065	0.4
123.11712	0.6
125.02096	0.4
127.03732	0.5
129.06943	0.4
131.08522	1.5
133.10127	2.7
135.08002	0.5
135.11673	0.8
137.09526	0.5
141.05217	0.6
143.08530	0.8
145.04945	0.3
145.10135	2.6
147.08043	0.5
147.11630	1.3
149.13249	0.8
155.08521	0.7
157.04698	0.5
157.10133	1.1
159.08015	0.4
159.11656	1.5
161.09630	0.8
161.13278	1.4
163.14804	0.4
165.09074	0.4
169.04771	0.8
171.11716	0.7
173.13228	1.4
175.11153	0.3
175.14815	0.9
177.16393	0.4
181.10025	0.3
183.11739	0.5
185.13243	1.1
187.14778	2.3
188.15135	0.4
189.12759	1.0
189.16328	0.8
191.14314	0.9
199.14726	0.5
201.03677	0.5
201.12688	0.5
201.16391	0.9
203.03545	0.5
203.05212	4.0
203.14461	0.3
203.17950	0.4
209.13246	0.4
215.14294	0.4
221.15250	0.3
227.17802	0.3
229.15831	0.4
229.19847	0.3
251.06792	0.3
259.16702	2.9
277.17700	2.3
315.13437	0.7
337.72821	0.3
338.46582	0.3
369.18790	5.1
369.23117	0.5
375.41763	0.3
385.28973	0.3
391.30060	0.4
400.01700	0.3
403.30023	0.6
407.03906	0.4
421.05576	0.4
421.31158	1.5
439.22983	100.0
439.31433	2.9
440.23383	4.4
447.44888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2299
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05497	0.6
67.05500	0.7
69.03423	0.4
69.07052	0.6
69.92575	0.7
69.92976	1.3
71.04955	0.5
79.05476	0.4
81.07043	1.1
83.04932	0.4
83.24867	0.3
85.02888	1.0
85.06545	0.5
91.05443	0.8
93.07031	1.1
95.04973	0.4
95.08591	1.0
100.11270	0.4
105.07002	1.1
107.04933	0.5
107.08582	0.9
109.06589	0.4
109.10133	0.3
119.08584	1.4
121.10137	0.6
123.04435	0.8
127.03931	0.5
127.66988	0.3
131.08543	0.7
133.10100	0.6
135.08064	0.4
139.03888	0.4
143.08621	0.5
145.10138	0.9
147.11674	0.5
149.13303	0.4
157.10085	0.6
159.11699	0.5
161.09692	0.5
171.11612	0.3
173.13246	0.5
184.07306	0.9
185.13271	0.4
191.14246	0.6
201.03682	1.5
201.16397	0.7
203.05215	4.0
259.16675	3.1
261.18234	9.7
261.95654	0.4
266.96207	0.3
277.14874	0.3
277.17618	1.8
307.24048	0.3
439.23013	100.0
440.23315	5.2
462.44666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01853	2.8
55.05262	1.3
55.05503	14.8
57.03441	7.7
57.07062	1.7
59.04984	3.3
63.14730	1.1
65.03934	2.6
67.05496	100.0
69.03407	2.8
69.07062	6.7
71.04988	6.2
71.07336	1.9
76.63915	1.0
79.05488	15.5
81.03406	31.5
81.07046	30.0
83.04970	5.9
83.05386	1.0
83.08606	18.8
85.02895	17.9
85.06532	3.6
90.08741	0.9
91.05471	26.8
93.07027	14.6
95.04965	15.1
95.08606	13.3
97.02834	2.0
97.06520	2.9
97.10136	2.4
99.08070	1.2
105.07019	19.6
107.04956	3.0
107.08576	14.9
109.06509	3.5
109.10143	71.6
111.04472	2.3
111.08066	10.2
113.05949	2.2
115.05407	1.3
117.07011	4.0
119.08570	21.3
121.06506	2.1
121.10139	10.8
123.08034	2.1
123.11703	3.0
125.09617	3.4
129.06979	7.1
131.08554	11.7
133.06490	2.2
133.10133	11.0
135.08047	2.7
135.11696	4.3
137.09613	4.4
142.07785	3.1
143.08554	3.8
145.10126	8.9
147.08078	2.0
147.11685	14.5
149.09608	3.8
149.13234	3.1
151.11102	1.3
155.08563	1.7
155.10660	3.3
157.10126	11.2
159.11700	7.8
161.09590	2.1
161.13281	3.6
163.11093	1.4
163.14844	1.4
165.12701	2.5
168.09355	1.2
169.00783	1.0
169.10089	2.8
171.11682	3.0
173.11739	20.2
173.13248	5.6
174.53119	1.1
175.11162	10.3
175.14845	3.9
177.12823	1.8
181.10136	1.8
183.11723	3.4
185.13240	4.6
187.14825	3.8
189.12680	1.1
189.16466	2.1
191.14317	2.5
193.12227	32.2
195.11504	1.6
197.13277	2.0
199.14763	5.2
201.12708	2.2
201.16371	2.9
203.14352	4.0
205.15991	1.5
211.13257	38.4
211.15237	1.9
213.16423	1.6
217.15912	4.8
221.15440	2.4
225.16531	1.1
227.18158	1.2
229.14211	5.0
231.17557	1.1
237.16632	1.1
239.17964	1.4
253.19516	2.3
267.15915	4.1
267.20990	1.2
329.21091	1.6
403.30112	3.0
421.25879	3.0
421.31021	3.9
439.26892	89.0
439.32199	14.5
440.27249	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32788	2.0
55.05507	14.8
56.96543	3.6
57.03409	2.6
57.07032	2.4
67.05494	35.2
69.03423	100.0
69.07065	18.1
70.24149	10.8
71.04961	2.8
79.05477	14.8
81.03381	4.2
81.06644	3.0
81.07045	38.8
81.95966	2.2
83.04972	30.7
83.08591	6.8
85.02875	2.5
86.09695	3.0
91.05467	23.4
93.06478	2.9
93.07035	35.6
95.04981	12.0
95.08593	65.7
97.06515	4.0
97.10148	5.2
99.03848	3.8
99.04448	63.8
99.08068	2.7
105.07028	36.0
107.08583	46.4
109.02868	3.0
109.06474	6.1
109.10146	43.8
111.04394	9.1
111.08029	3.8
113.05986	34.3
117.06975	7.9
119.08575	61.1
119.09425	3.0
121.06480	2.6
121.10127	33.3
123.04389	8.5
123.08007	3.1
123.11676	11.9
125.09661	2.4
128.06184	2.3
129.07007	11.6
131.08559	35.5
131.49640	2.3
133.10121	30.8
135.07996	5.1
135.11673	12.8
137.13216	3.8
141.07008	2.6
142.07770	5.5
143.08546	28.3
145.10107	53.5
147.07982	3.1
147.11653	25.0
149.09621	4.2
149.13248	15.5
155.08498	7.3
156.09280	6.9
157.10078	29.5
158.10907	3.4
159.07996	4.9
159.11667	31.3
161.09616	5.7
161.13232	15.5
163.14784	13.1
163.95866	2.1
164.44308	2.3
169.10190	13.8
170.10851	3.8
171.11659	18.8
173.09517	5.7
173.13246	21.9
175.11118	4.2
175.14775	14.7
177.12625	2.8
177.16335	8.1
181.10094	5.7
183.11679	12.8
185.13249	15.7
187.11209	3.2
187.14780	44.2
188.15092	3.1
189.12721	5.5
189.16425	11.4
191.14252	4.4
191.17902	4.1
193.12254	3.3
195.11646	5.6
196.12439	2.9
197.13173	10.0
199.14804	18.2
199.65211	2.7
201.12666	5.1
201.16359	19.0
203.14220	6.2
203.17870	9.1
205.15842	6.4
207.13754	2.5
209.13197	4.9
211.14786	6.2
213.16339	26.8
215.14314	4.0
215.17828	10.9
217.15894	4.9
219.17274	3.9
221.13156	4.4
221.15132	2.6
223.14784	3.0
225.16357	6.0
227.17854	6.0
229.15834	5.3
229.19466	5.9
231.17299	8.4
237.16345	4.5
239.17896	13.3
241.19496	3.9
245.18855	2.7
247.16757	3.4
253.19373	7.3
255.20863	2.7
257.18948	2.9
269.18893	2.8
271.20346	2.7
283.20493	3.3
285.09991	4.4
287.11777	2.8
289.42041	2.8
309.25778	21.4
323.27155	9.8
327.26675	23.6
347.27457	3.0
367.17780	7.6
367.26367	3.8
369.23657	2.9
385.28711	2.9
393.31229	5.6
403.29950	12.0
421.25879	3.6
421.30817	41.3
439.31790	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.32
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12115	0.7
52.93417	0.7
53.03933	1.7
55.05503	5.8
57.03426	1.5
57.07069	1.4
59.04976	0.9
65.03941	1.1
67.05496	29.3
69.03421	100.0
69.07062	9.6
70.07410	0.7
70.88326	1.0
70.88638	1.4
70.92394	0.9
71.04984	2.1
79.05482	9.1
81.03409	8.4
81.07048	20.0
83.04977	2.0
83.08623	3.9
83.54263	0.7
84.04501	1.1
85.02886	3.5
85.06530	1.4
91.05471	13.0
93.07031	19.0
95.04961	9.6
95.08598	22.9
97.06548	1.5
97.10159	2.2
98.21159	0.8
99.04443	63.0
99.08084	1.0
103.05425	1.0
105.07018	22.7
107.04956	1.6
107.08577	21.7
109.02867	2.5
109.06491	2.8
109.10145	29.6
110.10453	1.1
111.04417	4.5
111.08064	2.0
113.29272	0.8
117.07043	4.4
119.08568	28.7
121.06532	1.7
121.10135	14.0
123.08038	1.8
123.11691	3.0
125.09646	1.9
127.03932	1.0
128.06207	1.9
129.06990	5.1
130.04930	0.9
130.07802	1.0
131.08551	15.4
133.10115	15.1
135.08020	1.7
135.11684	7.2
137.09622	1.9
137.13261	1.1
141.06926	1.5
142.07809	2.3
143.08530	8.7
144.09320	1.7
145.10106	32.0
147.08043	2.7
147.11682	9.9
149.09633	1.8
149.13239	15.5
151.11229	0.9
155.08546	3.7
155.10622	0.8
156.09261	2.1
157.10118	13.0
159.08047	1.5
159.11671	16.8
161.09602	2.0
161.13185	7.7
163.11192	1.8
163.14806	12.1
163.16066	1.2
165.09090	1.1
165.12730	1.0
167.08563	0.9
168.09352	1.5
169.10118	3.7
170.10773	1.5
171.11650	7.7
172.12299	1.1
173.09569	1.2
173.11745	4.1
173.13249	10.2
175.11176	3.3
175.14804	8.5
177.12750	2.4
177.16354	3.3
179.08517	1.3
181.10091	2.5
182.10928	1.7
183.11676	6.3
185.13229	11.9
187.11232	1.5
187.14796	40.4
188.52698	0.8
189.12782	2.0
189.16345	12.6
191.14290	1.0
193.10452	1.3
193.12160	5.8
195.11674	2.1
197.13319	4.6
199.14787	7.8
201.12622	1.4
201.16362	10.7
203.14345	4.7
203.17958	2.9
205.12215	3.0
205.15967	1.2
209.13290	2.2
211.13152	7.4
211.14903	2.1
213.16336	6.7
215.14362	1.2
215.17929	3.6
217.15903	1.8
219.11819	1.3
219.13843	1.6
221.13232	1.7
221.15285	1.1
223.14886	1.0
225.16309	1.9
227.17964	3.4
229.15968	1.3
229.19501	2.2
233.15326	2.5
237.16312	2.2
239.17903	2.2
241.19460	1.4
247.16902	1.2
249.14749	1.3
251.17982	2.0
253.19563	2.7
255.21060	1.3
267.20764	1.0
275.20486	0.9
303.21082	1.0
321.25568	1.9
323.27322	17.4
347.23517	1.5
349.25119	1.0
367.26205	1.7
373.28943	1.8
375.30463	0.9
378.25516	3.4
385.28784	2.3
391.29953	2.7
403.29892	7.8
421.26257	1.3
421.30939	32.7
422.31281	2.2
439.26874	21.1
439.32114	23.8
440.27072	2.2
440.32559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.32
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03917	1.3
55.05495	3.4
63.72661	1.0
66.30938	1.0
67.05501	5.7
69.07050	3.3
69.32639	12.1
70.21942	1.0
74.30611	1.0
79.05471	6.2
81.07047	10.5
83.08588	1.9
91.05461	6.7
93.07038	11.9
95.04937	2.7
95.08593	18.4
97.06536	1.3
105.07011	15.8
107.07857	1.4
107.08582	25.6
109.06467	1.6
109.10148	12.8
111.08045	2.3
113.16573	1.1
116.05154	1.1
117.06992	1.6
119.08569	19.9
121.06493	4.4
121.10136	9.7
123.08113	2.1
123.11700	3.1
125.09612	4.1
129.06929	1.8
131.08580	8.1
133.06462	4.2
133.10109	15.9
135.08040	18.7
135.11670	4.0
137.09613	3.0
142.07779	2.1
142.11707	1.1
143.08575	3.7
145.10124	8.8
147.08055	16.8
147.11684	8.8
149.09587	5.7
149.13232	2.5
151.11157	2.0
153.09142	2.9
157.10089	7.4
158.46095	1.1
159.07959	2.1
159.11664	9.4
161.09601	29.9
161.13235	6.9
163.11176	1.5
163.14824	3.3
170.10925	1.5
171.11650	5.6
173.09583	2.7
173.13211	10.4
175.11188	10.0
175.14764	9.6
177.16354	2.9
183.11678	1.7
185.13246	5.6
187.11223	1.9
187.14772	7.4
188.11990	2.3
189.12746	3.8
189.16389	3.9
191.14293	4.2
193.15898	3.8
197.13264	1.6
199.11189	1.7
199.14795	3.6
201.12714	3.9
201.16396	3.2
203.14297	100.0
204.14693	2.5
205.15898	3.7
207.13722	1.4
211.14861	1.7
213.16373	6.2
215.14284	2.0
217.15849	52.1
218.16321	1.4
219.13792	7.6
219.17387	1.3
221.15384	5.0
229.15945	1.1
231.17451	3.8
233.15347	2.4
243.17456	2.4
249.18527	2.9
261.18518	1.3
267.21143	1.2
269.49078	1.4
291.49823	1.1
297.22235	1.9
313.21622	1.3
331.96649	1.2
369.24219	1.6
393.31461	1.6
397.31238	1.2
403.29895	3.6
409.30743	1.6
421.31006	13.0
433.37744	1.2
439.32037	54.1
440.32172	2.2
464.31870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
54.28504	0.8
55.05246	1.1
55.05502	9.9
57.07052	1.5
59.05002	0.9
67.05496	13.5
67.56609	0.9
69.03413	1.6
69.07061	6.5
71.04955	1.1
71.63544	1.2
79.05479	10.3
81.03410	1.7
81.07049	23.3
83.04972	31.7
83.08617	5.0
85.02854	1.0
85.06476	0.9
86.50094	0.8
91.05471	11.4
93.06459	1.2
93.07037	22.1
95.04979	7.1
95.08596	32.5
97.06499	2.4
97.10140	1.8
99.08056	2.3
100.24454	0.8
103.05467	1.4
105.07023	25.1
107.04946	1.1
107.08586	37.8
108.08887	0.8
109.06514	5.4
109.10150	20.8
111.04419	1.7
111.08072	4.5
115.05428	1.2
117.06997	4.6
119.08573	28.4
121.06477	6.0
121.10133	15.8
123.08071	5.1
123.11682	6.5
125.09629	4.5
128.06227	1.2
129.06967	3.1
130.07748	1.2
131.07680	1.3
131.08559	13.9
133.06430	2.7
133.10114	21.8
135.08044	21.7
135.11700	8.6
137.09552	3.5
137.13199	1.2
142.07735	2.0
143.08562	7.6
144.09320	2.3
145.06517	0.9
145.09026	1.3
145.10110	20.3
147.08029	7.8
147.11673	21.6
149.06001	2.0
149.09608	5.5
149.13237	9.2
151.07550	1.8
151.11162	1.8
153.09071	3.8
155.08510	2.2
156.09340	2.2
157.10115	10.9
158.10815	2.7
159.08058	3.2
159.11665	20.0
161.09604	10.5
161.13226	13.3
163.11157	3.0
163.14781	5.4
165.09087	1.1
165.12755	1.0
167.08643	0.8
167.10684	1.2
169.10100	4.4
171.11684	8.3
173.09592	3.4
173.13229	19.4
173.14662	1.5
175.11177	5.5
175.14828	10.0
177.12740	3.0
177.16417	3.9
179.14264	0.9
181.10046	1.4
183.11681	4.9
185.09576	1.0
185.13251	9.2
187.11215	2.2
187.14780	15.7
189.09113	1.3
189.12788	6.9
189.14313	1.1
189.14836	0.9
189.16373	7.2
191.14307	5.4
191.17979	1.4
193.12222	3.7
193.15836	1.0
195.11626	2.6
197.13269	4.3
199.11145	1.7
199.14815	6.2
201.12740	6.8
201.14346	1.1
201.14650	1.0
201.16365	7.8
203.14302	32.6
203.17786	3.9
205.15868	4.6
207.11696	1.0
207.13695	1.5
209.13286	2.8
211.13069	1.6
211.14769	2.4
213.12662	1.5
213.16362	4.9
215.14288	4.9
215.17894	2.5
217.15883	10.9
217.19220	0.9
219.13779	31.2
219.17313	2.4
221.15347	2.8
223.14900	1.6
225.16344	3.4
227.14270	1.7
227.17934	3.0
229.15848	2.8
229.19534	1.2
231.17365	2.6
233.15297	3.0
235.14824	1.4
235.16951	1.1
237.16365	2.0
239.17815	1.6
241.15887	1.6
241.19350	1.8
243.17435	2.9
247.16855	2.8
249.18367	1.0
251.18124	1.3
253.15779	1.1
253.19490	2.4
255.17372	1.3
255.20856	1.4
257.19077	2.1
267.21225	1.3
269.19006	1.8
269.22470	1.2
271.20346	1.5
281.18878	1.7
283.20456	2.0
285.22125	1.0
285.82141	1.1
293.22641	1.2
297.22150	1.6
309.21994	1.5
327.82520	0.9
339.26709	5.5
349.16644	1.0
351.23254	1.1
363.26553	4.0
369.24313	1.4
375.30353	1.7
381.27759	4.7
385.28915	1.2
391.29782	1.4
393.31601	4.3
397.30862	1.5
403.29935	7.0
421.30893	26.2
422.31158	1.2
439.31964	100.0
440.32355	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	439.3566
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.26450	1.1
54.86646	1.2
55.05502	7.1
57.07066	3.3
67.05489	11.7
69.07060	17.5
70.14681	6.1
79.05488	9.5
81.07044	22.9
83.08617	5.6
91.05453	10.2
91.98697	1.3
93.07030	22.0
93.07611	1.6
95.04985	2.5
95.08593	36.8
97.06529	1.8
97.10136	6.1
98.21515	1.4
103.55809	1.2
105.07010	18.7
105.07654	1.5
107.08581	32.5
107.09272	2.2
107.55614	1.3
109.06495	2.0
109.10134	20.9
111.08073	2.3
111.11723	2.2
117.07021	3.6
119.08559	29.0
121.10130	25.7
123.08064	2.3
123.11682	9.9
124.54380	1.1
128.87378	1.1
129.07051	3.8
131.08553	11.7
133.10103	20.3
135.11688	14.5
137.13274	5.2
139.56992	1.2
142.07764	2.4
143.08559	11.2
144.09293	1.5
145.10107	18.8
147.11688	11.5
149.09691	1.9
149.13268	7.3
151.11192	1.4
151.14803	1.3
155.08496	6.5
156.09268	3.3
157.10094	18.0
159.11671	17.9
161.09671	1.7
161.13245	13.1
163.14799	9.5
169.10062	6.6
170.10928	2.0
171.11665	16.2
173.13239	14.2
175.14778	8.3
177.12729	2.7
177.16373	10.6
179.08401	1.4
179.14320	3.8
181.10149	2.0
182.10915	2.6
183.11613	8.5
185.13199	12.9
187.14799	14.5
189.16342	15.1
191.17999	4.1
195.11748	2.3
197.13223	10.2
199.14790	8.8
201.16420	10.0
203.14275	1.8
203.18056	4.6
205.15848	1.6
207.17513	4.9
211.14799	7.7
213.16333	10.5
215.17950	9.4
217.16008	1.8
217.19533	3.7
223.14957	2.0
225.16454	3.8
227.17865	6.7
229.16017	1.5
229.19568	4.7
231.17470	4.0
231.21172	3.4
233.19090	4.2
235.85419	1.5
237.16331	2.0
239.18033	4.6
241.19495	8.4
243.21109	4.3
245.19055	2.0
251.17958	2.0
253.19536	6.0
255.21054	8.1
257.19122	2.3
257.22433	2.7
259.20605	4.7
265.19553	2.5
267.20990	11.6
269.22693	6.9
271.20483	5.8
273.22037	7.1
279.21182	1.6
281.22803	4.3
285.22049	10.7
287.23746	1.9
293.22714	2.7
295.23984	1.6
299.23529	6.1
307.24384	1.7
311.23761	3.6
325.25415	4.5
391.33878	4.6
397.31317	1.9
403.33554	9.0
409.34500	14.3
411.36209	2.1
421.34726	40.5
422.35156	2.0
439.35834	100.0
440.36246	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03931	3.6
55.05508	15.6
57.07074	10.1
67.05496	22.9
69.07059	22.5
70.00147	12.6
74.54488	3.0
79.05077	4.6
79.05441	14.4
81.07046	58.4
83.08640	10.9
85.06545	4.8
89.06073	3.2
91.05476	18.2
93.07031	43.8
93.07530	3.4
95.08593	100.0
97.10222	4.7
105.07022	39.0
107.08582	56.1
107.09282	4.3
109.06530	5.6
109.10148	55.7
111.08115	8.6
111.11768	3.5
117.07009	7.3
119.08569	68.7
119.09329	4.0
121.10124	54.7
121.10899	3.8
123.08121	7.0
123.11723	37.0
124.65325	2.9
129.07059	3.6
131.08542	17.6
133.10126	44.3
135.11687	28.4
137.13245	19.3
143.08614	7.5
145.10126	31.3
147.11681	47.2
149.13260	26.6
151.14862	4.5
157.10114	17.9
159.11702	28.1
161.13258	23.5
163.11226	3.7
163.14842	15.7
169.10201	5.1
171.11795	9.4
173.13268	25.2
175.14792	20.0
177.16351	22.4
185.13243	15.6
187.14752	17.7
189.12820	4.7
189.16382	23.3
191.14424	8.4
191.18073	11.7
197.13242	3.6
199.14955	12.9
200.08128	2.9
201.16429	14.9
203.17902	25.9
205.15906	5.7
207.17537	4.9
211.14912	5.0
213.16516	12.4
215.17957	16.0
217.15944	17.6
217.19603	10.5
219.04599	2.8
219.17567	3.5
221.19165	3.8
227.18050	11.9
229.19551	7.1
231.17513	5.2
233.19008	6.0
239.17953	7.5
241.19698	6.4
243.17613	4.5
243.21249	8.5
245.19109	4.4
253.19624	3.6
255.21211	10.2
259.20636	5.4
267.20905	3.6
269.19174	3.6
269.22681	4.5
271.20770	4.2
281.22705	5.1
283.21039	3.6
283.24255	5.1
287.23782	3.1
307.24658	3.8
381.31305	3.8
393.35373	12.2
395.33340	8.6
403.33789	8.9
411.37115	4.1
414.47891	3.4
421.34622	52.0
422.35123	3.7
439.30811	4.9
439.35980	97.0
440.36420	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	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05502	8.3
57.07068	8.6
65.03912	1.0
67.05167	1.7
67.05497	21.1
69.07059	15.7
69.43951	8.4
71.08616	2.9
75.70664	0.9
79.05478	7.5
81.07048	74.1
83.08598	7.5
89.06056	1.2
91.05492	4.5
92.19867	0.7
93.07046	9.1
95.08593	100.0
96.08900	1.6
97.10137	5.2
101.67458	0.8
104.49706	0.8
105.07022	8.4
107.08576	11.3
109.06492	1.1
109.10143	43.0
111.11685	2.6
117.07018	1.6
119.08572	10.1
121.06547	1.0
121.10130	10.8
123.10793	2.0
123.11693	37.8
125.13259	1.3
129.06998	1.5
131.08540	6.8
133.10094	7.6
135.11659	7.1
137.13237	61.2
138.13573	0.9
143.08528	3.0
145.10094	10.1
147.11664	6.3
149.13240	4.9
151.14836	4.7
157.10138	5.1
159.11652	6.1
161.13246	4.2
163.14757	3.6
171.11664	8.2
173.13229	7.1
175.14839	6.3
177.16345	1.4
179.17923	13.2
183.52573	0.9
185.13237	5.3
187.14816	7.4
189.16341	3.2
191.17879	3.0
193.19366	1.3
199.14807	9.5
201.16380	7.3
203.17918	3.6
205.12186	1.0
205.19476	1.6
206.69777	0.9
211.14778	0.9
213.16359	11.2
215.17949	8.0
217.12273	2.0
217.15799	0.8
217.19490	1.6
225.16356	0.9
227.17894	3.6
229.19479	2.0
231.17329	1.4
241.19504	7.1
243.21068	9.0
245.15378	2.7
247.16803	1.2
255.21054	6.2
257.22632	1.1
259.16974	10.5
261.18390	1.7
269.22601	7.2
287.20020	4.0
289.21484	1.7
301.21518	2.3
315.23209	1.1
366.01624	0.9
393.35175	23.2
394.31186	0.9
394.35770	1.0
421.34387	2.6
439.35931	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	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.0
57.07080	2.9
62.10144	1.6
67.05496	8.3
69.07051	13.6
70.75088	3.8
70.75421	1.4
72.70441	1.3
79.05479	6.6
81.07050	23.1
83.08608	7.6
91.05448	7.5
93.07040	19.6
95.08598	48.4
97.10157	4.5
105.07009	18.3
107.08572	35.2
109.10149	32.1
111.11709	1.7
119.08571	41.9
121.10124	31.5
123.11691	12.2
131.08569	2.1
133.10098	32.7
133.11057	1.9
135.11679	24.6
137.13260	4.6
139.07526	2.5
145.10106	4.6
147.11671	28.8
149.13228	16.8
153.09094	5.1
159.11667	3.9
161.13240	17.4
163.14796	11.5
163.88922	1.4
167.10635	3.5
173.13252	2.5
175.14822	10.2
177.16350	9.2
187.14775	4.2
187.70862	1.6
189.16360	57.4
191.17924	78.2
192.18233	1.7
201.16344	11.1
203.17932	100.0
205.19479	18.5
207.17393	2.4
215.17973	5.5
217.19504	13.2
221.19083	3.9
229.19595	2.6
231.17343	2.2
231.21109	5.2
235.16924	8.0
245.22701	2.3
247.16853	6.5
249.18451	24.6
393.35199	9.8
439.35739	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	440.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.53976	0.2
56.96565	0.2
65.03922	0.3
67.05499	2.9
69.25026	0.2
70.98404	0.6
70.98742	0.2
75.00127	0.2
79.05479	0.4
81.03395	0.2
85.02917	0.3
91.05509	0.5
94.06555	9.2
95.04967	0.5
97.02855	0.3
98.97581	0.4
102.49207	0.3
106.06533	3.1
109.21303	0.2
116.98615	0.3
119.04888	0.4
122.06007	7.4
123.04399	0.6
134.17802	0.3
138.05472	0.5
139.03915	1.3
146.99690	0.3
147.04376	1.8
148.04732	0.5
150.05484	100.0
151.05836	1.6
160.07526	0.5
163.03885	0.3
168.06538	4.2
174.05446	0.6
213.56046	0.3
237.02811	0.4
261.02942	0.2
270.07510	0.6
288.08643	5.1
289.08856	0.3
323.66116	0.3
440.13242	3.7
440.22040	0.5
441.09494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02549	0.1
53.03934	0.3
53.14402	0.1
53.44606	0.2
55.98243	0.1
56.96537	0.3
65.03915	0.6
67.05495	2.6
70.06557	0.2
71.43868	0.4
72.08105	0.2
79.05480	0.4
79.46177	0.1
81.03423	0.2
83.34007	0.2
85.02892	0.2
86.09679	0.2
88.03981	0.2
94.06557	9.7
95.04935	0.3
96.04460	0.2
97.02879	0.3
98.97568	0.2
106.06542	3.0
110.06022	0.3
114.14749	0.2
116.98623	0.2
119.01836	0.1
119.04935	0.4
122.06019	7.6
123.04429	0.6
124.04770	0.2
127.03880	0.2
133.10045	0.2
138.05455	0.7
139.03894	1.4
147.04366	1.2
150.05490	100.0
151.05833	1.2
153.01811	0.3
160.07574	0.7
163.03911	0.3
164.06975	0.2
168.06560	4.5
174.05495	0.5
192.06551	0.2
214.08772	0.2
228.06500	0.2
237.02792	0.2
239.02014	0.2
242.08018	0.3
247.36879	0.2
260.09097	0.3
270.07584	0.6
288.06079	0.2
288.08649	6.6
300.05688	0.2
399.05493	0.2
423.07364	0.2
440.13385	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	440.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30733	1.5
55.05507	5.6
57.07071	24.4
58.47631	1.7
67.05500	6.3
69.07051	5.4
69.73116	14.0
71.08629	31.7
73.06554	5.6
79.05481	4.4
81.07046	11.0
83.08597	3.7
85.10172	25.9
85.37885	1.9
87.04459	3.1
87.95642	1.6
89.06026	100.0
91.05486	5.1
93.07014	8.9
95.04956	2.2
95.08591	10.3
97.10123	2.0
98.21008	5.4
105.07029	7.2
107.07058	5.5
107.08572	9.2
108.08872	1.6
109.06487	2.8
109.10149	7.6
110.10500	2.9
117.07010	2.2
117.09133	2.5
119.08562	8.2
121.10134	6.2
123.11682	4.5
130.08658	5.0
131.08583	4.4
133.08594	48.0
133.10120	5.1
134.10422	2.1
135.08026	3.1
135.11699	5.1
141.16356	5.2
143.08600	2.0
145.10123	6.8
147.11644	5.9
149.13307	4.0
157.10023	2.3
159.11673	3.3
161.13278	2.4
173.13240	2.8
177.11203	21.0
177.16367	3.7
183.11700	2.6
185.19072	3.5
187.14838	4.0
189.16248	2.4
195.12196	2.0
203.14407	2.1
203.17934	2.4
229.19635	3.0
229.21614	11.1
239.14888	2.6
244.69370	1.9
273.24234	4.8
283.17480	19.2
422.30786	2.6
423.33044	30.8
440.31494	12.0
441.33768	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	441.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	23.1
56.97418	1.2
71.58109	2.4
84.96031	9.5
94.06549	2.4
98.97575	35.2
109.70377	1.3
110.97556	7.4
116.98608	38.1
119.04933	1.6
122.06038	1.9
123.04390	3.3
128.98590	20.9
131.00113	3.3
134.99657	24.0
139.03894	2.7
140.00203	2.0
143.00156	5.6
144.98166	1.6
145.02826	2.7
146.99631	30.5
147.04413	7.6
148.77893	1.5
149.01170	5.8
150.05502	21.8
151.05827	10.1
153.00696	3.4
158.99638	6.7
161.01207	15.9
162.99101	3.3
163.03882	4.6
165.00720	4.2
170.01311	1.6
170.99683	3.8
177.00731	10.1
179.02242	5.4
189.00706	9.3
193.01732	2.1
195.01759	1.9
201.00694	5.9
207.01704	2.7
209.01125	2.0
211.02742	4.8
218.99771	1.8
219.01723	30.0
229.03906	1.9
237.00635	9.9
237.02782	60.6
242.03267	2.0
245.04521	1.6
255.01703	20.8
255.03976	6.9
256.93359	1.6
260.04391	3.5
261.02844	3.1
264.70169	1.5
273.02747	27.1
278.03156	1.8
279.03909	2.9
293.03217	1.6
321.04858	2.2
323.04410	1.8
333.02615	6.7
341.05524	2.1
351.03723	2.5
363.03818	4.4
381.04907	23.4
387.34903	1.5
399.05960	100.0
417.06992	4.0
422.07599	14.0
423.07288	2.6
426.33823	1.5
441.07730	7.2
441.17865	2.0
464.51770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	18.3
64.61507	1.1
68.22454	1.3
70.66279	3.9
75.72165	1.0
82.50523	1.3
84.96034	7.8
98.97568	100.0
110.97540	23.9
112.99062	1.4
116.98606	51.9
128.98587	36.2
128.99542	2.1
131.00162	2.9
134.99623	19.9
140.98575	7.6
143.00157	14.4
144.98024	1.5
145.01797	2.1
146.99628	22.0
149.01233	2.3
152.98578	2.9
153.00632	1.5
158.99635	41.3
161.01213	19.8
162.99078	1.4
163.03836	1.6
165.00670	2.6
169.19160	1.3
170.99641	30.1
177.00693	45.7
179.02248	3.5
182.99648	14.4
189.00697	39.1
195.01764	4.6
200.02365	2.3
201.00679	60.9
207.01744	10.6
212.02254	2.4
213.00650	4.4
219.01732	59.9
231.01695	6.4
232.03369	1.6
237.02782	33.4
242.03319	1.4
243.01747	25.0
249.02873	2.0
255.03821	6.0
261.02786	96.1
262.03235	2.2
273.02853	6.4
273.05325	1.4
279.03836	79.4
280.04181	1.9
291.03778	22.2
297.04898	4.4
297.08096	1.3
302.05423	4.3
303.03857	2.0
304.79904	1.3
307.33661	1.2
309.04788	3.3
321.04874	49.9
322.05469	2.5
333.04892	5.0
346.02664	1.5
351.05997	10.3
381.06848	4.9
399.08191	7.3
407.46866	1.3
441.09048	41.0
442.09335	1.8
459.17392	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.93523	1.0
56.96565	11.1
67.05477	1.1
68.93204	1.0
69.03411	2.5
70.06573	4.4
70.23271	0.9
71.04971	1.7
71.45242	1.0
71.60906	1.5
72.08123	1.4
72.93796	1.3
79.05484	1.0
81.07059	2.4
84.96021	3.4
85.02898	4.6
86.09685	2.7
88.96901	1.2
91.05476	6.3
97.02868	3.3
97.96792	3.5
98.97569	22.4
99.08053	1.9
100.11214	1.3
102.97063	1.3
105.07018	1.5
110.97556	4.0
115.97830	2.5
116.98598	21.3
119.04929	3.2
121.10048	1.8
123.04411	17.7
127.03889	1.0
128.98602	10.7
131.00197	1.4
131.04915	1.4
133.10097	1.2
133.98878	1.3
134.99655	12.4
137.05931	1.5
139.03877	4.1
139.57603	1.0
140.06964	0.9
140.98459	1.0
143.00148	2.8
144.02348	1.0
144.98093	1.2
145.10083	1.7
146.99643	11.8
147.04376	6.3
149.01184	1.9
149.09575	2.0
152.98560	1.8
153.00690	1.7
153.01738	1.4
154.97925	2.2
157.54865	1.0
158.97385	1.7
158.99625	6.0
161.01210	7.3
161.05975	2.7
162.99103	3.9
163.03909	3.5
165.00661	1.9
165.02122	1.2
165.05519	1.9
170.99661	5.7
172.98956	2.0
173.01199	2.0
175.03929	2.8
177.00685	9.7
179.03430	2.8
183.03331	3.3
189.00726	6.0
192.30952	0.9
195.01268	1.7
197.05893	1.0
200.02171	1.1
201.00726	2.5
207.03287	10.2
207.06540	2.9
213.02129	1.3
219.01715	12.3
221.02684	1.1
223.00450	1.3
225.04150	6.4
229.04947	1.6
237.02785	32.1
239.03694	4.8
243.06383	2.7
243.86531	1.1
245.04401	1.4
253.05164	1.6
255.03760	3.5
260.04395	1.9
271.06046	2.2
279.06683	4.5
289.06982	3.3
296.11914	2.5
297.07941	5.4
309.06464	11.9
327.07474	45.5
328.08154	1.4
350.09097	3.7
375.08694	1.6
423.03165	1.3
423.14429	1.5
423.32690	1.5
441.11011	100.0
442.11438	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	441.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62449	0.4
58.21292	0.4
59.85340	0.4
61.34526	0.4
68.02618	0.5
69.03427	0.6
70.06570	1.3
70.45934	0.4
70.86626	0.9
85.02879	0.9
85.07662	2.4
86.09679	1.9
91.05466	0.7
95.01090	1.1
97.02834	0.5
98.97566	1.4
100.27319	0.4
101.70320	0.5
111.00585	0.5
112.01271	0.6
113.02104	2.2
116.98631	0.9
123.04414	1.2
134.05867	0.4
134.63536	0.5
134.99605	0.5
136.07579	0.5
139.03893	0.7
145.02817	0.7
147.04355	1.0
161.01160	0.6
163.03926	1.2
177.00586	0.5
177.05431	1.3
185.04189	3.0
185.09267	0.5
201.03665	0.8
203.05247	0.8
204.07567	2.6
219.01649	0.5
222.35074	0.5
237.02808	0.6
259.07883	1.0
279.08264	0.5
279.12283	0.7
302.92282	0.4
326.16974	0.6
327.07697	0.9
327.55832	0.5
441.11682	4.5
441.17227	100.0
442.17554	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3359
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03935	3.4
55.05502	12.3
57.07055	4.0
59.04984	1.5
65.03913	2.0
67.05497	20.9
69.03426	2.0
69.07057	14.1
69.48579	3.4
69.48977	12.8
71.04976	1.6
75.88379	1.5
76.51325	1.4
79.05486	23.6
81.06571	2.3
81.07050	40.3
83.04965	2.7
83.08619	7.5
85.06528	2.9
91.05463	28.9
93.07037	47.9
94.07357	1.6
95.04969	9.2
95.08597	54.1
97.06519	8.0
97.10146	3.6
99.04446	2.3
99.08082	15.4
105.07020	76.7
107.08585	64.9
109.06518	6.7
109.10146	27.5
111.08074	6.4
115.05447	1.8
117.07018	11.7
119.08569	100.0
121.06496	6.5
121.10123	42.8
123.08054	8.6
123.11672	9.0
125.09604	4.1
129.06992	6.8
130.07808	2.1
131.08556	57.8
133.10121	54.0
135.08046	6.0
135.11678	23.2
137.09602	5.9
137.13229	2.4
139.73552	1.7
141.07031	1.7
142.07813	3.8
143.08533	18.3
144.09311	4.2
145.10112	60.4
145.11270	3.0
147.08035	6.0
147.11674	93.0
149.09602	9.3
149.13246	21.7
151.11128	3.1
155.08524	4.0
156.09334	5.5
157.10107	25.3
158.10889	6.6
159.08057	4.3
159.11676	42.2
159.12981	2.2
161.08296	1.6
161.09615	8.9
161.13254	24.6
162.10762	1.6
163.11163	8.7
163.14801	23.4
165.09132	5.7
165.12788	1.6
167.10652	3.1
169.10120	8.2
170.10895	5.3
171.11673	18.3
172.12350	1.6
173.09601	4.4
173.13248	60.8
175.11179	7.7
175.14807	30.1
177.12714	3.6
177.16399	10.1
179.14288	2.5
181.10120	2.8
183.11711	10.1
185.13243	25.0
187.11195	2.3
187.13109	2.8
187.14796	56.9
188.15134	2.1
189.12756	6.8
189.16370	18.0
191.14297	22.4
193.12238	2.3
193.15871	5.7
195.11691	4.6
197.13200	8.3
199.14795	18.6
199.32339	1.6
201.12735	7.2
201.16367	87.2
203.14307	26.7
203.17961	16.9
204.14894	1.8
205.15952	8.6
209.13269	3.7
211.14795	10.0
213.16388	14.9
215.14346	4.4
215.17860	12.5
217.15753	8.0
217.19490	2.6
219.13835	1.7
219.17464	6.9
221.13348	2.3
221.15317	26.8
223.14792	3.7
223.16824	1.9
225.16339	7.2
227.17863	8.7
229.15948	3.6
229.19492	3.5
231.17467	3.4
235.14886	1.7
235.16991	3.0
237.16454	2.1
239.16251	4.1
241.19499	4.5
243.17418	10.0
243.21146	3.7
251.17726	2.1
253.19395	4.4
255.21045	5.1
259.20615	1.7
261.18393	2.3
265.19644	2.1
267.21048	2.9
269.22684	2.1
333.25925	2.5
351.26904	3.1
363.26627	2.0
365.28214	2.7
366.44342	1.8
369.27872	2.9
375.30646	3.1
387.30505	5.2
393.31488	11.8
395.32651	3.2
405.31473	27.1
411.32443	14.5
423.32529	36.3
434.30267	1.7
441.25031	11.6
441.33624	97.9
442.34198	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	441.3358
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.38931	1.5
55.05506	12.8
57.03416	1.5
57.07066	2.7
65.03939	1.6
67.05493	19.0
69.03406	3.5
69.07058	16.3
70.68501	3.6
71.04981	2.8
79.05479	18.4
81.07043	37.3
83.04993	2.2
83.08607	6.7
91.05468	28.5
93.07034	45.1
94.23074	1.6
95.04953	7.3
95.08595	57.2
97.06513	6.1
97.10143	2.2
99.08086	6.9
105.07018	65.1
107.08579	57.7
109.06512	8.6
109.10140	29.2
111.08070	3.4
116.14334	1.8
117.06998	10.8
117.46744	1.4
119.08565	78.8
120.08912	1.9
121.06483	5.5
121.10120	38.1
123.08055	5.4
123.11686	8.4
125.09534	3.6
128.06271	2.5
129.06999	7.2
130.07732	2.7
131.08553	47.5
133.09096	2.4
133.10109	45.3
135.08054	6.2
135.11681	21.7
137.09605	4.5
137.13248	2.6
142.07800	4.3
143.08543	20.5
144.09312	3.9
145.10104	56.6
147.08034	4.2
147.11668	52.9
148.58371	1.8
149.09583	5.6
149.13260	19.9
151.11163	3.5
151.44104	1.8
155.08559	5.4
156.09314	3.9
157.10109	25.5
158.10887	5.2
159.11667	41.2
161.09549	7.4
161.13219	25.3
163.11198	5.1
163.14833	22.6
163.16106	2.9
167.10611	2.5
169.10121	7.1
170.10915	3.4
171.11652	18.6
173.09563	1.7
173.13235	50.2
175.11192	6.9
175.14799	24.7
177.12750	3.9
177.16380	12.1
179.14284	2.8
181.10138	2.4
183.11713	10.1
185.13226	20.9
187.14804	47.6
189.12724	3.8
189.16386	20.5
191.14281	13.7
193.15800	2.7
195.11685	4.9
197.13258	8.0
199.14804	20.3
201.12744	3.2
201.16347	57.7
203.14314	18.6
203.17914	20.1
205.15825	9.2
209.13252	4.5
211.14824	6.9
213.16350	10.4
215.14407	3.8
215.17911	19.4
217.15875	6.4
217.19461	3.0
219.13824	2.0
219.17365	2.2
221.15341	21.9
223.14775	3.6
223.16838	1.9
225.16394	5.6
227.17967	6.6
229.15825	5.0
229.19498	5.5
231.17352	2.1
235.16919	3.5
237.16518	2.3
237.83617	1.7
239.16431	6.0
241.19492	7.7
243.17439	3.7
243.21118	3.5
249.16322	2.1
251.17981	2.6
253.19492	3.8
255.21028	9.4
263.17999	2.1
267.21045	2.2
269.22601	3.8
279.21265	1.9
301.21680	2.6
303.20972	1.8
309.25638	1.7
317.22467	1.5
321.25797	2.1
349.25247	2.0
369.27740	2.7
387.30450	5.4
387.41742	1.6
393.31476	7.1
405.31482	30.4
411.32364	5.7
423.32568	37.6
441.28821	3.7
441.33600	100.0
442.33865	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	441.3361
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
53.03930	2.8
53.63829	2.0
55.05509	13.5
55.59217	1.8
57.07065	4.1
65.03922	2.3
67.05495	20.7
68.46711	1.9
69.03425	5.4
69.07066	20.6
69.52702	16.6
71.04990	2.4
73.32166	1.7
74.02022	1.7
75.12339	1.6
77.27067	1.8
79.05483	19.7
81.07055	46.3
83.04967	4.8
83.08603	8.2
84.85834	1.6
85.06531	2.7
91.05465	25.0
93.07037	42.6
95.04967	9.0
95.08600	62.1
96.08923	2.2
97.06511	10.0
97.10164	5.2
98.20839	5.2
98.21522	3.3
99.08058	2.8
105.07023	70.3
107.04971	2.3
107.08585	78.5
109.06502	10.3
109.10141	34.3
110.10403	1.8
111.08096	5.4
117.06993	11.8
119.08574	75.3
121.06506	9.9
121.09292	3.5
121.10130	49.5
123.08002	10.1
123.11701	10.2
125.09639	9.0
128.06232	2.8
129.07014	4.7
130.07780	2.6
131.08556	47.5
133.10121	57.5
135.08051	11.4
135.11664	24.4
137.09639	6.7
141.06969	3.0
142.07761	4.0
143.08588	16.4
145.06488	2.5
145.10114	63.7
147.07956	2.5
147.11671	39.4
149.09612	9.4
149.13245	15.9
151.11179	3.2
155.08510	4.2
156.09399	4.9
157.10115	24.0
158.10892	3.2
159.08031	3.4
159.11676	47.2
161.09659	7.1
161.13246	29.9
163.11179	7.3
163.14819	23.5
165.09090	2.0
165.12778	4.2
167.10641	2.5
169.10175	6.6
170.10826	3.0
171.11670	21.2
172.12503	2.5
173.13246	48.9
173.14653	3.5
175.11176	6.2
175.14804	30.2
177.12746	7.3
177.16365	18.0
177.46227	1.8
179.14368	3.7
181.10123	3.2
182.10855	2.5
183.11720	8.8
185.13240	20.9
187.14799	52.5
187.16412	3.8
188.15213	1.9
189.12743	4.7
189.16373	21.7
191.10616	1.9
191.14313	25.9
191.17912	7.4
193.12175	4.9
193.15868	3.8
197.13269	8.4
199.14760	19.3
201.12747	3.4
201.16379	50.7
203.14304	14.0
203.17915	17.1
205.15863	35.5
209.13240	3.6
209.86780	2.0
211.14830	7.3
212.15656	2.7
213.16380	20.4
214.17113	2.4
215.17934	16.6
217.15883	9.3
217.19514	5.0
219.13860	2.1
219.17410	24.9
221.15292	17.8
221.19022	5.2
223.14862	4.2
225.16444	4.8
227.17924	12.3
229.15947	2.8
229.19502	6.0
231.17491	5.5
233.19032	2.5
235.16960	3.1
235.20576	4.3
237.16397	2.6
239.18120	3.1
241.19484	81.2
243.17497	2.5
243.21042	2.7
245.19043	2.5
253.19547	3.6
255.21077	4.1
267.21036	2.4
269.22635	3.3
279.21182	2.2
281.22592	2.2
293.22668	2.5
295.24231	2.2
307.23984	2.8
365.28329	2.8
375.30493	3.5
377.32056	2.8
387.30719	6.1
388.37195	1.8
393.31497	14.6
395.33026	2.2
398.67212	2.1
405.31573	27.8
406.31915	2.1
411.32449	16.1
423.32556	50.1
424.32990	2.2
432.58105	1.8
441.33652	100.0
442.34164	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	441.336
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05503	7.2
56.57987	0.9
57.03429	1.1
57.07056	1.8
59.90356	0.9
67.05499	12.7
69.03419	1.3
69.07059	12.4
69.41602	2.0
69.42003	8.1
71.04996	1.9
79.05489	10.6
80.27415	1.0
81.07049	32.0
83.04992	1.5
83.08616	3.7
91.05467	11.1
93.07035	26.6
94.07359	1.1
95.04961	3.9
95.08596	38.4
97.06534	3.1
97.10150	2.1
99.08096	1.2
105.07017	26.9
107.08580	39.3
108.08922	1.1
109.06496	4.8
109.10150	18.0
111.08058	2.9
115.05431	1.0
117.07021	3.6
119.08562	38.2
120.08897	1.1
121.06483	2.9
121.10127	29.4
122.10459	1.3
123.08050	4.1
123.11667	4.6
125.09617	2.4
128.06186	2.2
129.06990	3.9
130.07791	1.7
131.08551	17.6
133.10118	25.5
134.10458	1.4
135.08023	2.8
135.11707	9.7
137.09613	4.0
137.13266	5.6
142.07730	2.4
143.08543	11.2
144.09283	2.1
145.10112	24.6
145.11252	1.3
147.08031	2.4
147.11668	18.2
148.08334	1.0
149.09650	3.3
149.13246	30.0
151.11166	1.0
155.08601	2.4
156.09355	2.7
157.10106	15.6
158.10916	1.7
159.11688	19.7
161.09619	3.6
161.13239	11.4
163.11172	4.0
163.14796	30.2
165.09355	1.0
165.12735	1.1
169.10159	4.5
170.10893	1.7
171.11708	9.9
172.12489	1.4
173.09601	1.2
173.13239	16.4
175.11290	2.2
175.14806	15.1
177.12773	2.6
177.16359	9.2
181.10028	1.7
183.11649	5.4
185.13254	11.1
187.14810	20.3
189.12743	3.8
189.16365	17.1
190.13080	1.8
191.14307	4.0
195.11697	2.7
197.13266	4.5
199.14780	8.5
201.12772	2.1
201.16362	13.6
203.14275	6.3
203.17934	16.5
205.15894	3.7
207.11772	1.2
209.13292	2.9
211.14856	5.1
213.12881	1.3
213.16353	10.1
213.18121	1.3
215.14409	2.0
215.17929	19.9
217.15910	4.4
217.19496	1.2
219.13640	1.4
221.15385	3.4
223.14864	1.9
225.16403	4.9
227.14322	1.3
227.17889	8.1
229.15903	2.4
229.19498	5.8
233.15416	1.3
235.14899	1.3
235.17065	2.0
237.16342	3.1
239.17947	3.1
241.19415	6.4
242.20085	1.3
243.17409	1.8
243.21115	5.4
251.18028	1.5
253.19537	4.9
255.18047	1.8
255.21025	15.5
256.21304	1.0
257.22629	3.5
265.19330	1.1
267.21146	2.2
269.19138	2.2
269.22601	6.2
273.18472	2.1
277.19458	1.4
279.21130	2.1
281.19101	1.9
281.22522	1.6
299.20193	1.5
302.42896	1.0
309.22128	1.2
309.25790	2.2
317.20999	7.3
321.25793	2.6
325.25189	1.3
327.23160	2.1
345.24622	1.5
347.27640	1.8
365.28256	1.4
377.32422	1.4
387.30371	4.7
393.31870	1.5
395.32541	3.7
405.31476	32.5
406.31921	1.9
411.32614	1.0
423.32492	38.2
424.32925	2.4
441.33606	100.0
442.34064	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	441.3361
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.01879	1.8
55.05501	14.6
57.07064	2.9
57.94616	1.9
60.40576	1.4
65.03952	1.9
67.05495	23.3
69.03415	4.8
69.07062	14.8
69.58072	2.0
70.23900	5.6
71.04983	3.0
79.05483	23.9
81.07049	47.1
83.04967	3.1
83.08609	9.1
85.06531	4.4
91.05472	30.4
93.07034	54.9
95.04962	10.8
95.08594	65.5
97.06528	6.5
97.10173	2.9
99.08084	35.9
103.05463	2.6
105.07020	67.5
107.08585	81.6
109.06505	7.3
109.10146	40.8
111.08062	5.4
115.05398	2.6
116.06189	1.9
117.07002	11.3
119.08569	96.5
121.06497	7.3
121.10128	52.4
121.11014	2.9
123.08052	8.0
123.11706	14.9
125.09588	8.9
127.07522	11.8
128.06325	1.7
129.07010	9.3
130.07713	2.4
131.08557	55.7
133.10117	60.0
135.08058	6.9
135.11678	25.5
137.09607	8.0
137.13223	4.3
142.07774	5.4
143.08539	21.3
144.09364	3.4
145.10104	57.3
145.11264	3.0
146.10934	2.6
147.08035	5.4
147.11667	50.1
149.09633	9.3
149.13231	17.8
151.11168	3.6
155.08559	6.6
156.09334	6.8
157.10118	26.4
158.10866	2.9
159.08034	2.3
159.11673	51.0
161.09570	10.4
161.13255	24.8
163.11180	9.4
163.14778	16.6
163.79471	1.7
165.12790	2.3
167.08600	3.3
168.09340	2.2
169.10072	10.6
170.10855	3.7
171.11684	27.0
172.12379	2.4
173.09642	4.6
173.13235	46.6
173.14648	3.0
175.11195	6.4
175.14806	25.3
177.12750	3.8
177.16316	9.6
179.14333	5.2
181.10077	4.1
183.11639	16.2
184.12405	3.2
185.13239	26.5
187.11169	1.9
187.14818	49.4
189.12770	4.9
189.16389	20.2
191.14270	13.7
191.18015	4.3
193.10167	2.6
193.12219	2.9
193.15855	4.6
195.11723	4.3
197.13242	10.1
199.14786	18.3
201.12697	5.4
201.16365	95.8
203.14301	15.2
203.17926	8.0
205.15912	10.6
207.17419	4.4
209.13295	5.1
211.14854	10.7
213.16354	12.0
215.14313	6.5
215.17960	11.0
217.15840	10.8
217.19484	3.5
219.13675	2.4
219.17465	5.8
221.15227	8.5
223.14801	6.6
225.16389	9.5
227.17883	9.4
229.15852	4.4
229.19606	2.7
231.17445	5.0
233.18913	2.5
235.17010	1.8
237.16389	4.3
239.18062	3.9
241.19501	5.0
243.17500	8.5
245.18922	2.2
247.16966	3.7
251.17979	3.3
253.19489	4.4
255.21107	4.7
257.19000	3.8
261.18567	4.0
265.19583	2.4
267.21133	3.4
269.22720	2.6
271.20557	3.7
279.21048	2.0
281.22794	2.2
283.20535	3.9
291.21292	2.1
297.22278	3.2
299.23706	3.3
325.24918	1.9
333.25632	2.6
335.23596	2.4
337.25323	1.8
339.26593	2.0
349.25336	2.4
351.26782	13.5
353.28531	1.8
363.27008	1.9
369.27603	2.7
371.26324	2.1
387.30249	4.3
393.31448	9.0
395.33231	2.8
405.31479	39.4
406.31674	2.4
411.32571	18.8
423.32458	68.2
424.32806	2.6
441.33621	100.0
442.33966	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3359
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
55.05496	2.2
57.07072	1.0
59.56578	0.5
62.65904	0.6
65.22757	0.5
66.73014	0.6
67.05490	3.6
69.07061	2.3
70.42227	1.5
79.05486	2.5
81.07057	5.8
83.08602	1.7
91.05458	3.1
93.07032	5.9
95.04979	0.9
95.08601	10.0
96.60962	0.5
97.10165	0.9
99.08043	0.9
103.54746	0.5
105.07020	7.6
105.10816	0.6
106.01067	0.6
107.08585	10.6
109.06479	0.7
109.10139	7.8
111.08079	0.9
117.06978	1.5
119.08563	10.8
121.06464	1.4
121.10120	8.2
123.08081	1.6
123.11704	2.0
129.06927	0.8
131.08554	3.0
133.06470	2.8
133.10124	7.8
135.08038	21.2
135.11674	3.8
137.09612	0.6
137.90430	0.5
143.08531	1.5
145.10101	5.5
147.08006	3.5
147.11682	4.4
149.09615	3.0
149.13222	2.5
151.11194	1.1
156.09334	1.0
157.10115	2.6
159.11650	5.6
161.09592	6.2
161.13228	4.4
163.11171	1.0
163.14792	1.9
165.12775	0.7
169.10088	0.7
171.11667	1.9
173.09653	1.2
173.13245	3.2
174.10358	0.8
175.11180	6.7
175.14745	3.4
177.12762	1.2
177.16353	2.6
183.11711	0.9
185.13213	2.0
187.11217	0.8
187.14816	2.3
189.12759	3.8
189.16400	3.8
191.14278	1.5
191.17839	0.7
197.13322	1.1
199.14845	1.2
201.12766	1.3
201.16415	2.1
203.14290	15.5
203.17877	3.6
205.15932	2.1
207.13799	0.9
208.58937	0.6
215.14424	1.1
215.17992	2.3
217.15848	11.5
219.13831	1.0
221.15381	0.8
227.14357	0.6
233.15260	0.8
233.19031	1.1
239.18054	0.6
243.17361	0.9
253.19548	0.9
257.19080	0.9
271.20505	0.8
353.24722	0.9
405.31412	2.9
423.32568	5.2
441.33597	100.0
442.34033	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	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.18402	1.9
53.19689	1.7
55.05502	12.6
57.07072	5.3
65.03925	2.2
67.05497	21.1
69.07058	35.7
71.04961	2.0
71.62582	1.8
71.62954	2.5
79.05478	14.8
81.07045	43.3
83.05009	2.1
83.08603	9.3
85.06535	2.6
91.05465	18.0
93.07032	40.0
95.04965	4.0
95.08592	61.2
97.06525	6.4
97.10165	6.6
99.08059	5.1
105.07012	40.9
107.08582	67.6
107.09287	4.1
109.06493	6.9
109.10146	40.9
110.10501	1.9
111.08072	2.7
111.11691	4.1
117.07018	7.2
119.07697	3.1
119.08562	60.7
121.10124	54.6
122.10503	2.3
123.08040	4.5
123.11699	21.1
125.09616	3.4
129.05594	1.7
129.06963	2.3
131.07666	3.1
131.08549	21.4
133.10114	56.6
133.11070	3.8
135.08051	4.0
135.11673	61.8
137.09595	4.0
137.13220	8.7
143.08592	9.0
145.10100	31.0
147.07983	3.0
147.11665	34.6
149.09641	3.8
149.13232	16.9
155.08554	2.9
156.09290	2.5
157.10123	13.5
159.11676	38.1
160.12238	2.2
161.13220	23.1
163.11169	4.3
163.14783	9.6
165.12709	3.5
169.10164	3.3
171.11699	11.2
173.13223	23.0
175.14822	24.9
177.12701	3.4
177.16336	13.5
179.14299	2.8
183.11658	3.0
185.13229	9.9
187.14804	28.8
187.87267	1.9
189.16356	76.0
190.16685	2.3
191.14319	5.6
191.17926	30.9
193.15898	2.1
197.13257	3.4
199.14854	10.2
201.16364	25.7
203.14294	15.4
203.17934	19.0
205.15866	4.3
205.19463	10.5
207.17493	4.6
211.14726	2.8
213.16400	8.3
215.17938	46.2
217.15897	4.1
217.19560	6.5
219.17444	6.0
225.16376	4.0
227.17905	5.1
229.19429	13.0
231.21109	4.1
233.18982	92.7
234.19415	2.7
239.17865	3.3
241.19467	5.1
243.20995	5.2
245.18947	2.8
245.22658	3.1
255.21036	6.1
257.22650	3.9
269.22632	8.2
271.24368	2.7
283.24069	8.9
285.22119	2.7
289.25131	4.6
297.54773	2.0
362.59421	1.9
369.27698	2.2
377.28360	2.5
386.36432	2.1
395.29315	4.9
405.35458	26.0
423.36380	100.0
424.36566	6.1
441.32739	16.8
441.37210	50.5
442.37915	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	441.3721
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05503	1.3
57.07074	0.5
67.05502	2.7
69.03425	0.8
69.07067	3.7
71.63713	0.4
75.04589	0.3
79.05475	1.5
81.07050	6.9
82.70247	0.3
83.04971	2.8
83.08603	1.5
91.05469	1.6
93.07039	4.3
95.04966	1.2
95.08596	13.1
97.06528	0.6
97.10144	0.9
105.07009	2.8
107.08577	8.3
109.06491	1.0
109.10143	7.6
111.08067	1.1
111.11714	1.2
117.07021	0.3
119.08569	5.3
121.06512	1.1
121.10135	7.3
123.08076	1.6
123.11700	3.8
124.07527	0.4
125.09621	0.6
131.08546	1.1
133.10107	3.9
135.08006	1.8
135.11662	7.8
137.09586	1.2
137.13243	3.5
139.11136	0.7
143.08600	0.4
145.10081	2.0
147.08072	0.4
147.11697	2.7
149.09605	10.4
149.13200	2.7
151.14651	0.3
157.10139	0.8
159.11674	1.7
161.09621	0.9
161.13245	2.3
163.11125	0.8
163.14789	1.3
165.12775	0.4
173.13243	2.1
175.11272	0.4
175.14839	1.9
177.12715	0.8
177.16377	2.5
179.14319	0.4
187.14803	1.1
189.12729	0.5
189.16330	3.9
191.14386	0.4
191.17928	4.4
193.19392	0.3
197.13246	0.3
201.16515	0.6
203.14305	0.5
203.18016	0.6
205.15814	0.5
205.19495	1.4
207.17520	0.5
209.18877	0.4
213.16418	0.9
215.17905	2.5
217.15897	0.8
217.19492	0.8
219.17358	0.6
227.17953	0.5
229.19513	0.8
231.17456	1.0
233.19005	3.9
235.16922	1.3
243.21066	0.8
245.19009	0.7
247.20609	1.0
259.20633	0.4
261.22104	1.1
269.22604	1.1
271.23990	0.4
287.23648	7.1
301.25449	0.5
352.09335	0.4
405.35312	0.5
423.36099	2.6
441.37231	100.0
442.37613	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	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.69044	2.1
55.05505	13.5
55.40675	2.7
57.07062	3.2
60.52265	2.1
65.03912	2.7
67.05505	17.1
69.07059	23.8
79.05480	17.5
81.07050	40.2
83.04953	2.2
83.08596	7.7
85.06511	2.7
88.51101	2.5
91.05440	15.4
93.07037	43.3
95.04933	5.0
95.08599	57.8
97.06506	4.6
97.10117	3.1
98.20747	4.5
105.07018	33.5
107.07858	3.7
107.08583	63.8
109.06499	5.1
109.10136	32.9
109.10822	3.8
111.08062	3.5
111.11691	2.7
113.05965	2.3
116.41211	2.3
117.07031	5.1
119.08571	49.7
120.08867	3.5
121.10126	50.1
123.08036	4.2
123.11090	1.9
123.11706	20.5
123.96210	2.6
125.09587	3.6
131.08543	18.5
133.10121	36.8
135.08075	3.1
135.11678	53.6
137.09569	2.8
137.13242	9.1
143.08539	8.7
145.10106	32.3
147.07938	2.6
147.11650	23.5
149.09608	4.8
149.13261	16.2
156.09323	2.8
157.10086	14.1
159.11673	25.6
161.09647	3.0
161.13246	17.7
163.14824	17.2
165.12749	2.3
167.39363	2.2
169.10132	3.3
171.11647	10.7
173.13229	21.4
175.14815	21.8
177.16333	17.2
179.14296	2.7
183.11690	5.5
185.13249	15.8
187.14825	28.1
189.12708	2.5
189.16365	35.5
191.14258	4.2
191.17920	33.1
194.31252	2.4
197.13271	8.6
199.14810	11.7
201.16324	20.1
203.14316	5.7
203.17961	8.9
205.15822	9.3
205.19405	5.5
207.17300	4.3
211.14763	3.9
213.16379	9.1
215.14432	3.2
215.17953	25.6
217.15860	3.5
217.19495	5.1
227.17874	5.9
229.19490	5.2
229.54320	2.7
229.56398	2.5
231.17326	3.1
233.18974	40.9
239.18056	2.9
241.19470	5.9
243.17464	3.1
243.21077	4.4
245.22659	3.2
251.16347	4.0
253.19431	4.7
255.21094	7.7
257.18884	2.8
257.22507	2.9
259.20432	3.1
263.23703	2.9
267.21063	3.1
269.22577	8.7
271.24365	2.9
274.37573	2.9
281.22650	2.6
289.25171	3.1
295.24091	4.0
307.47873	2.1
363.08542	2.4
376.74725	2.5
405.30304	14.2
405.36020	17.7
423.36465	100.0
424.36618	4.6
441.32544	38.9
441.37927	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.13585	1.4
55.05508	13.8
57.07049	4.9
59.04998	1.8
63.00845	1.4
65.03926	2.3
67.05495	20.2
68.40561	1.4
69.07059	30.9
69.40331	11.1
69.40739	3.8
79.05476	12.4
81.07050	46.3
83.05000	2.8
83.08602	9.3
91.05471	18.8
93.06457	2.9
93.07030	38.6
95.04953	8.9
95.08598	70.9
97.06508	4.6
97.10159	8.4
98.21287	5.7
99.08046	2.3
104.01157	1.7
105.07014	34.8
107.08578	61.6
109.06499	5.9
109.10143	48.6
111.08055	4.0
111.11703	6.2
112.94270	1.6
113.09650	1.8
117.06989	5.8
119.08566	46.9
120.08907	1.8
121.06460	1.9
121.10131	58.6
122.10486	1.6
123.08069	4.9
123.11691	31.6
125.09547	2.1
128.06186	1.5
129.06956	4.7
131.08563	16.9
133.10109	44.4
135.08034	2.8
135.11678	38.2
136.12051	1.8
137.09534	2.1
137.13243	16.0
143.08524	6.0
145.10110	24.0
146.66856	1.5
147.07976	2.4
147.11670	28.6
149.09583	4.3
149.13240	16.4
151.14763	3.4
155.08499	2.0
156.09261	1.9
157.10127	11.9
159.11687	28.2
161.09637	4.4
161.13240	23.7
163.11156	3.5
163.14781	17.7
169.10092	5.9
171.11649	12.2
173.13240	17.7
175.11140	2.3
175.14824	20.4
177.16376	14.2
179.14301	4.5
183.11716	5.2
185.13237	9.9
187.14798	21.0
189.12714	4.5
189.16371	39.9
191.14333	3.7
191.17918	18.8
193.15843	3.3
195.11639	1.7
196.68404	1.7
197.13179	5.0
199.14798	8.5
201.12698	3.0
201.16342	13.5
203.14200	8.2
203.17944	16.4
205.15892	9.5
205.19550	6.4
207.17445	10.9
211.14793	5.3
213.16293	7.8
215.17940	22.5
217.15953	2.6
217.19530	7.5
218.33508	1.7
219.17439	5.6
219.20900	1.7
225.16336	3.6
227.17926	5.4
229.19411	10.3
231.17438	2.0
231.21114	3.2
233.18970	50.8
234.19373	2.0
239.17870	2.2
241.19475	8.1
243.21077	11.3
245.19006	3.0
245.22548	2.2
253.19501	1.8
255.21083	11.1
257.22568	6.7
259.20514	8.0
261.22266	1.9
267.20978	3.0
269.22592	7.9
271.08859	1.4
271.24112	2.8
273.22116	4.6
281.22513	4.2
283.24179	6.9
285.21973	2.2
289.25137	3.2
295.24091	3.7
297.25479	1.8
299.23740	2.2
301.25217	3.9
311.27298	2.3
313.25186	2.5
327.26669	1.8
335.27216	2.3
353.28183	2.2
365.28278	3.3
383.29367	4.4
405.35266	34.6
411.36301	1.9
423.36487	100.0
424.36514	5.3
441.32938	28.5
441.37274	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
54.39050	1.0
55.05507	7.6
56.80946	0.9
57.07058	3.3
59.31789	0.9
59.72923	1.0
67.05500	8.6
69.07059	19.3
71.08601	1.3
79.05478	7.7
81.07049	20.2
83.08599	4.6
91.05466	10.4
93.06458	2.1
93.07034	32.0
95.04961	2.4
95.08598	36.1
97.02808	1.1
97.06535	2.0
97.10180	4.7
105.07012	20.7
107.08582	61.1
108.08915	1.0
109.06501	2.9
109.10144	25.0
111.08064	1.8
111.11727	3.0
113.09610	1.4
117.07011	4.2
119.08572	30.3
121.06525	1.4
121.10132	28.3
121.11005	1.6
123.08067	1.6
123.11684	15.1
125.09584	1.5
131.08556	7.8
133.10110	24.6
133.11081	2.0
135.11674	74.3
136.12019	1.4
137.09622	1.5
137.13237	7.2
137.43523	0.9
142.07701	1.2
143.08536	2.9
145.10118	16.1
147.11671	16.9
149.09569	1.6
149.13225	7.8
151.11185	1.1
153.12735	1.9
157.10095	4.0
159.11688	18.4
160.12479	1.3
161.13248	14.0
163.14789	7.8
165.12744	2.0
171.11676	5.2
173.13263	11.8
174.13994	1.2
175.14816	19.8
177.16365	7.7
183.11766	1.5
185.13243	4.9
187.14822	11.3
189.16360	40.8
190.16833	1.2
191.17926	26.4
193.15807	1.4
199.14821	4.4
201.16389	8.4
203.14346	3.8
203.17955	11.1
205.15868	2.0
205.19518	7.3
207.17442	3.3
213.16368	3.9
215.17940	40.5
217.19495	3.9
219.17476	3.3
219.21025	1.5
227.17923	2.9
229.19542	6.8
231.20970	3.2
233.18980	48.9
241.19490	2.4
243.21033	3.7
245.19037	1.7
245.22697	1.4
253.19431	2.3
255.21123	3.0
257.22623	2.7
259.20560	1.3
267.21057	1.6
269.22586	6.2
271.24170	6.5
281.22592	1.5
283.24146	1.9
285.22180	1.2
287.23569	1.3
289.25183	3.4
295.24359	2.2
309.25967	1.3
329.28473	1.1
405.35178	26.7
406.35507	1.8
423.36215	100.0
424.36621	5.4
441.37646	40.2
442.37662	2.2
461.16595	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.80287	2.1
55.05494	10.4
57.07059	3.5
60.19876	2.3
65.03931	2.5
67.05488	25.9
69.03403	3.4
69.07060	19.9
71.08623	3.1
71.16179	6.0
72.17477	2.0
79.05486	18.4
81.07042	54.5
83.08611	10.4
85.06485	2.4
91.05472	16.6
93.07028	36.7
93.70457	2.0
95.04955	5.0
95.08594	100.0
97.10151	4.9
105.07008	36.2
107.08577	91.0
108.49740	2.3
109.06495	21.0
109.10143	63.7
111.08074	5.4
111.11668	3.2
113.09653	2.3
117.07000	4.0
119.08564	44.0
121.06507	2.5
121.10130	81.6
123.08089	5.2
123.11694	39.9
125.09572	2.8
131.08556	12.3
133.10114	81.8
134.10397	2.7
135.08061	2.8
135.11674	36.3
137.13225	11.3
143.08519	4.4
145.10110	22.5
147.11673	27.8
149.09627	3.9
149.13251	23.9
151.11169	3.0
151.14740	3.0
157.10104	10.0
159.11656	21.9
161.09604	2.1
161.13251	21.7
163.11133	2.2
163.14778	17.6
165.12758	3.6
169.10135	3.3
171.11670	8.8
173.13278	17.9
173.99327	2.2
175.11063	2.5
175.14790	19.6
177.12738	3.1
177.16353	13.0
179.14281	4.8
183.11649	5.1
185.13226	9.3
187.14786	20.4
189.12668	2.8
189.16370	22.8
191.14261	12.7
191.17953	6.4
193.15733	2.9
195.11684	2.4
197.13203	2.5
199.14780	8.2
201.16287	14.8
203.14262	4.2
203.17931	8.8
205.15808	11.4
207.17397	3.0
211.14909	2.6
213.16353	6.9
213.42656	2.3
215.14316	3.0
215.17958	13.8
217.15898	3.1
217.19464	8.6
219.13834	2.5
219.17415	4.6
225.16316	3.3
227.17981	6.3
229.19475	5.7
233.19002	2.8
239.18040	5.6
241.19467	7.7
243.17372	3.3
243.21095	7.2
253.19440	3.2
255.21063	5.8
257.22665	4.5
259.20590	5.0
259.24176	3.3
267.21072	5.0
269.22595	6.5
271.20612	3.4
283.24094	3.0
285.22253	4.3
285.25613	3.4
305.69168	2.4
309.25711	4.4
311.27667	2.4
323.27222	3.1
327.26715	2.9
335.27216	4.3
353.28296	4.1
405.35373	30.8
423.36578	58.5
426.16672	4.5
441.13797	3.0
441.19662	22.8
441.32980	44.8
442.19440	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.91905	1.3
53.03923	1.7
55.05506	8.2
57.03415	1.3
57.07065	3.1
63.91557	1.5
67.05499	12.4
69.03395	2.2
69.06715	1.7
69.07061	22.5
70.03249	1.3
71.08632	1.6
79.05482	10.8
81.07050	34.1
83.08618	7.0
91.05471	10.1
93.07035	23.8
95.04949	5.0
95.08592	49.8
95.18483	1.3
97.06525	2.4
97.10144	3.7
99.08072	3.3
105.07017	19.9
107.08581	45.5
109.06502	4.2
109.10143	31.8
111.08073	3.2
111.11706	2.8
117.07002	4.3
119.08567	28.8
121.10130	33.3
123.08011	3.0
123.11694	13.5
131.08537	10.6
133.10100	22.9
135.08038	3.7
135.10672	2.5
135.11676	40.1
137.13252	6.5
143.08522	5.1
145.10114	16.9
147.11659	17.8
149.13242	9.2
151.11147	3.2
157.10092	6.6
158.49112	1.4
159.11665	20.0
161.13249	12.8
163.11128	1.5
163.14813	11.6
169.10109	1.8
171.11662	8.3
173.13272	12.3
175.11259	2.4
175.14803	13.2
177.16316	6.7
183.11681	3.4
185.13156	4.1
187.14812	15.0
189.16347	19.9
191.14278	1.7
191.17938	28.4
197.13249	1.7
199.14796	5.7
201.16412	9.8
203.14297	4.4
203.17894	9.2
205.15846	8.9
205.19456	2.5
207.17487	2.5
211.14799	2.8
213.16348	4.8
215.17950	17.5
217.19469	3.2
219.17419	4.8
223.14900	1.8
224.19586	1.4
225.16246	2.6
227.17940	3.0
229.19476	5.1
231.17534	1.6
231.21039	2.2
233.18967	24.6
239.17877	3.1
241.19426	2.9
243.17476	1.5
243.20935	7.0
253.19513	1.8
255.21053	5.5
257.22672	2.7
259.20609	3.6
261.22034	2.4
267.20999	2.8
269.22638	5.9
271.20627	2.0
271.23996	2.6
281.22562	1.7
283.23965	2.1
285.22061	3.2
295.24213	3.1
307.04968	1.5
309.25742	3.2
311.27371	2.0
327.26785	2.8
335.27142	1.5
405.35229	19.4
411.36462	1.4
423.36258	100.0
424.36484	2.9
441.32806	11.2
441.37192	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.79457	1.3
55.05503	8.2
57.07071	3.2
59.04997	2.6
61.10135	1.3
65.03945	1.9
67.05492	13.9
69.07062	13.3
70.89558	2.4
70.89864	1.8
71.08614	2.7
79.05479	9.7
81.07047	32.9
83.08617	6.6
85.06531	7.9
89.06025	1.3
91.05460	10.6
93.07030	31.2
95.08593	67.0
97.06509	2.2
97.10186	3.8
99.08123	2.1
105.07018	25.1
107.08578	46.4
107.09282	2.8
109.10139	37.4
111.08084	4.4
111.11741	1.9
113.09633	4.7
117.07050	3.4
119.08564	39.4
121.10125	47.2
123.08023	3.5
123.11682	16.7
125.09660	4.8
131.08589	6.4
133.10107	27.0
135.11673	32.1
137.13280	4.9
143.08543	2.7
144.09372	1.7
145.10109	16.9
147.11664	21.4
149.13251	21.5
157.10092	1.8
159.11688	17.7
161.13240	27.2
163.11206	2.1
163.14813	22.8
165.12791	1.9
171.11646	3.1
173.13234	13.9
175.14801	23.1
177.12807	2.6
177.16350	12.1
178.62996	1.3
179.14308	2.5
185.13228	2.4
187.14816	12.2
188.15469	1.5
189.16354	23.5
191.14343	6.6
191.17924	46.4
193.15866	4.1
199.14777	2.2
201.16345	16.2
203.17918	20.2
203.19675	2.0
205.15962	5.0
205.19528	10.6
207.17479	8.3
212.10323	1.6
213.16405	4.6
215.17912	24.2
217.19525	13.2
219.17429	9.5
219.21106	2.1
221.19006	5.1
227.17969	3.0
229.19579	5.5
231.17479	4.2
231.21037	7.0
233.18974	27.6
243.21101	4.0
247.20561	2.0
255.21246	2.0
257.22647	4.0
259.20883	2.0
269.22702	2.8
271.24191	2.0
341.20715	1.6
395.36783	5.5
405.35281	9.7
421.76605	1.5
423.36176	86.4
424.36523	3.6
441.37375	100.0
442.37598	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	441.3722
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.17931	4.1
52.42251	4.5
55.05502	14.4
56.75792	4.2
57.07058	5.7
64.25435	5.3
67.05499	21.8
69.07061	32.3
69.33614	46.1
74.47641	4.8
79.05488	10.1
81.07051	52.7
83.08608	8.8
89.25366	4.9
90.12940	4.5
91.05481	9.7
93.07017	31.4
95.08595	100.0
97.10146	7.3
97.61069	3.9
98.21282	19.2
105.07012	22.5
106.14327	5.0
107.08584	53.6
109.10148	80.4
111.11706	14.7
119.08566	40.8
121.06511	4.9
121.10117	53.5
123.08048	4.7
123.11694	29.4
131.08598	6.8
133.10115	33.4
135.08038	5.3
135.11673	37.3
137.13231	25.9
143.08545	5.7
143.78760	5.5
145.10144	22.3
147.11691	19.0
149.13248	24.5
151.14816	5.3
157.10158	9.7
159.11729	21.2
161.13289	18.4
163.14845	16.0
171.11653	6.1
173.13197	22.4
175.11311	6.9
175.14827	14.7
177.16437	17.8
182.09140	4.0
185.13306	9.7
187.14812	15.3
189.16367	19.8
191.14360	5.8
191.17918	23.2
199.14749	10.2
201.16418	10.0
203.17883	8.7
205.19495	18.0
205.41849	4.4
207.17595	7.5
213.16696	6.7
215.17999	5.7
217.15851	10.3
217.19385	11.3
219.17467	7.3
229.19540	6.0
231.17450	10.3
231.21088	18.1
235.16924	13.4
241.19682	7.0
245.22655	14.7
249.18517	5.4
255.20972	5.1
405.35086	79.1
423.36237	52.9
423.44656	4.8
441.37277	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	443.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03459	3.4
55.04247	2.8
56.96545	0.6
57.03432	0.5
61.02926	0.8
68.43942	0.4
69.03416	2.6
70.02945	0.5
70.86184	1.4
73.02883	0.7
80.04998	1.3
81.03442	0.7
81.04531	18.0
82.05311	8.5
83.06099	0.8
85.02894	3.2
97.02873	1.6
98.69513	0.5
98.97552	1.2
108.05585	1.2
109.02843	0.6
110.07143	0.8
122.07137	100.0
123.07919	89.8
124.08336	0.6
127.03873	1.2
134.99600	0.7
137.05949	1.0
139.03888	3.3
144.04800	1.5
145.04890	0.6
147.04416	1.5
147.88263	0.5
160.04253	2.0
162.47565	0.5
163.03903	0.8
165.07684	3.6
172.04285	1.2
175.47415	0.5
177.00746	0.6
179.03534	0.6
188.01231	0.5
205.51920	0.5
219.01703	0.9
249.32829	0.5
272.06421	0.8
281.10632	59.2
282.10977	0.8
287.05536	1.3
323.11752	0.8
342.91678	0.6
383.12146	0.7
409.61710	0.5
431.74915	0.6
443.15891	87.8
444.16116	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46198	1.0
53.03930	3.2
55.01866	4.2
55.05502	31.4
55.12344	1.0
57.03430	6.1
59.04996	7.8
61.02923	7.4
67.05495	5.0
69.03423	21.6
69.07059	3.0
70.06590	3.1
70.74045	4.1
71.04988	2.8
71.49058	1.2
72.08142	2.4
73.02901	2.3
79.05492	7.5
80.21434	1.1
81.03409	7.9
81.07048	12.3
83.01334	1.5
83.04974	42.1
83.08604	1.9
84.08139	2.0
85.02897	57.8
85.06517	5.8
86.06040	2.2
86.09690	6.5
87.04483	2.4
91.03954	1.8
91.05466	11.9
93.07040	10.1
95.04955	16.0
95.05473	1.6
95.08597	4.4
97.02879	16.4
97.06523	3.4
99.04456	3.8
101.06010	27.4
103.03897	1.3
103.05396	1.3
103.14961	1.1
103.54619	1.1
105.07019	14.8
107.04961	1.8
107.08591	13.0
109.02866	6.4
109.06494	9.7
109.10158	5.3
110.07138	2.9
111.04433	2.7
111.08046	1.6
114.05531	1.4
117.07020	6.7
119.04916	2.0
119.08565	18.4
121.06509	5.1
121.10133	17.2
123.04425	3.8
123.08074	5.8
125.05993	4.1
125.09634	1.5
127.03909	14.2
128.06201	1.6
129.06960	2.8
131.08569	4.5
133.06522	1.5
133.10123	13.0
135.08020	9.4
135.11719	5.2
136.07596	4.0
137.05951	2.9
137.09604	6.1
139.03912	4.8
142.07829	1.2
143.08530	6.4
143.11876	1.7
145.04985	9.6
145.06459	2.8
145.10114	15.2
147.08041	22.0
149.09639	4.0
151.07538	3.3
157.10086	5.6
159.08011	7.8
159.11710	4.3
161.07158	2.2
161.09619	11.3
161.13275	4.5
163.03935	2.3
163.07526	2.9
163.11162	100.0
165.09152	3.8
169.10146	1.7
171.08031	1.7
171.11736	3.3
173.13333	2.0
175.11211	2.1
175.14864	2.1
177.09091	12.4
179.10648	6.5
181.08650	2.8
181.12218	37.8
185.13271	4.7
187.11206	3.7
189.09122	8.0
191.10693	1.5
199.14871	2.2
203.14366	5.1
205.12259	5.0
207.10110	22.2
215.14310	1.5
217.15953	1.9
223.13217	3.0
227.14218	5.6
233.15213	5.7
245.15346	18.2
263.16397	56.2
273.03830	1.7
281.17453	32.5
303.05157	3.8
307.15414	2.8
325.16440	1.7
425.08597	2.8
425.21652	4.5
433.52249	1.2
442.74100	1.4
443.09930	1.6
443.17883	4.1
443.22879	46.2
444.23160	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01859	5.7
55.05503	13.2
56.96524	1.5
57.03433	10.5
57.07067	2.5
59.04989	3.0
61.02920	10.9
65.03916	1.9
67.05492	7.5
69.03422	41.2
69.03799	2.2
69.07055	2.7
70.06577	6.5
71.04987	4.3
72.08126	3.7
73.02898	4.6
79.05480	11.4
81.03410	17.7
81.07057	23.1
83.04964	18.0
83.08614	2.1
84.04497	1.9
85.02895	77.2
85.06520	2.5
85.08479	1.6
86.09692	4.8
87.04466	9.4
91.03968	4.2
91.05461	14.7
93.07024	14.6
95.04953	21.6
95.08596	20.2
97.02872	31.8
97.06519	3.8
98.21597	3.6
99.04458	4.9
101.02344	2.3
101.06010	10.3
103.03868	2.0
105.07024	16.3
107.04926	4.8
107.08590	18.0
109.02863	10.9
109.06509	12.1
109.10141	28.6
111.04443	3.8
116.98591	2.2
117.06995	6.0
119.04920	3.4
119.08569	13.6
121.06504	11.0
121.10112	10.0
123.04402	3.6
123.08043	6.1
125.05968	4.7
127.03905	22.8
127.07523	1.7
128.06146	2.6
129.06973	3.0
130.26660	1.6
131.08565	8.0
133.06490	2.9
133.07568	1.9
133.10124	10.9
135.04410	3.2
135.08073	10.5
135.11707	3.0
137.05943	5.6
137.09596	68.7
139.03891	2.4
140.07025	1.7
142.07758	2.3
143.08553	5.9
145.04941	11.4
145.06418	2.9
145.10146	11.3
147.04440	5.6
147.08000	9.3
147.11662	2.3
149.05936	2.0
149.09636	2.7
151.07486	3.2
151.11194	7.9
153.12689	1.8
157.10132	6.9
158.32811	1.8
159.08043	6.3
159.11703	10.1
161.05902	2.2
161.07137	2.4
161.09579	10.8
161.13321	2.1
163.03897	9.2
163.07538	2.4
163.11168	21.1
164.04160	1.9
165.09055	4.3
169.10078	4.1
171.11732	2.5
173.05864	1.7
173.13235	3.1
174.96811	2.0
175.11171	4.9
175.14729	2.5
177.09103	8.2
177.12749	2.4
179.10660	3.6
181.04948	2.4
181.10617	2.3
181.12210	19.5
185.13197	6.5
187.11099	11.0
189.09111	4.1
189.12744	3.2
191.14378	2.8
195.10065	1.7
199.14685	1.8
201.12872	1.7
203.14296	7.5
205.12227	29.3
207.10164	6.9
215.14307	4.2
217.15775	2.6
221.15407	5.8
227.14333	3.6
233.15308	11.7
245.15323	23.9
263.13437	3.3
263.16388	100.0
264.16824	2.9
281.06683	3.5
281.17450	84.3
282.17859	2.0
299.05701	2.0
325.11777	2.1
425.21753	4.3
443.17825	6.1
443.22665	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05503	11.9
56.78430	3.1
57.07069	4.3
66.65891	2.8
67.05499	21.0
69.03407	3.5
69.07069	19.7
70.88392	8.9
75.12830	2.5
79.05499	17.4
81.07047	37.1
83.04976	3.3
83.08611	7.2
85.06564	3.4
91.05481	20.0
92.96054	2.6
93.07038	37.5
95.04949	7.0
95.08595	60.8
97.06499	4.2
97.10188	5.9
105.07021	48.2
107.08575	63.9
108.08877	2.9
109.06512	10.0
109.10145	43.3
109.10834	4.9
112.77769	2.9
117.07005	8.3
119.08571	51.1
121.06508	6.1
121.10123	51.4
123.08047	7.3
123.11681	11.1
125.09639	5.8
129.07014	7.1
131.08563	25.9
133.10117	46.0
135.08012	19.4
135.11685	26.8
137.09563	6.8
140.90784	3.6
143.08549	10.5
144.09338	6.6
145.10115	47.4
146.10545	3.4
147.08107	5.2
147.11674	42.2
149.09599	5.0
149.13261	20.7
151.07443	3.0
151.11179	4.2
151.83228	3.4
157.10112	11.6
159.11679	45.0
161.09587	8.8
161.13216	20.3
163.11238	7.1
163.14796	21.9
165.09126	7.3
169.10158	6.2
171.11667	9.5
173.13223	17.8
175.11174	10.9
175.14789	22.6
177.12788	6.5
177.16353	25.2
179.94258	3.0
183.11678	4.5
185.13258	11.2
187.14786	60.9
188.15237	3.6
189.12730	3.6
189.16347	16.4
191.14316	9.3
191.17905	3.7
193.15800	3.5
195.97900	3.4
197.13332	3.8
199.14809	7.8
201.16345	36.0
203.14279	15.8
203.17957	12.8
205.15857	99.4
207.17372	5.3
211.14687	4.9
213.16376	10.5
215.17952	14.4
217.15855	9.3
217.19531	3.7
219.17400	21.8
221.05930	4.3
221.19066	5.0
223.14864	5.3
223.16833	24.4
227.17914	5.6
235.20538	5.2
241.19485	13.5
247.20677	3.7
255.21140	6.1
351.22626	3.2
389.32028	9.6
407.33328	34.3
415.08725	3.2
425.29053	3.5
425.34225	45.6
443.30435	26.2
443.35095	100.0
444.36169	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3512
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.02370	0.3
53.03934	0.3
55.05497	1.7
57.03395	0.3
57.07047	0.5
59.04978	0.2
65.03923	0.3
67.05495	4.0
67.52409	0.2
69.03416	0.3
69.06727	0.3
69.07062	4.1
69.93025	1.4
71.08599	0.2
76.62631	0.2
79.05070	0.2
79.05481	3.0
81.07050	10.2
83.04972	1.2
83.08614	2.7
85.06524	0.5
87.56396	0.2
91.05460	3.1
93.06467	0.5
93.07035	8.4
95.04932	0.9
95.08597	15.6
96.08913	0.3
97.06520	0.6
97.10136	1.0
99.08076	0.6
103.05410	0.3
105.07016	8.0
107.08583	15.1
108.08926	0.3
109.06503	2.3
109.10145	13.9
111.08077	1.2
111.11682	0.3
113.09616	0.3
117.07008	1.5
119.08569	9.0
121.06472	0.5
121.10127	15.2
122.10473	0.3
123.08036	3.0
123.11694	3.0
125.09617	0.5
129.07007	0.6
130.07758	0.3
131.08556	7.0
132.08968	0.3
133.10115	9.0
134.10426	0.3
135.08035	2.3
135.11676	5.1
137.09566	0.9
137.13203	1.0
142.07721	0.2
143.08571	1.4
144.09258	0.4
145.10107	11.0
147.11667	13.0
149.09592	1.5
149.13242	7.8
151.11165	2.1
151.14764	0.4
151.33852	0.2
155.08554	0.3
156.09250	0.3
157.10103	1.7
158.10890	0.4
159.11676	6.3
161.09673	0.4
161.13245	4.9
163.11147	1.6
163.14804	7.7
165.12769	0.4
169.10114	0.3
171.11647	1.6
172.12440	0.4
173.13237	3.2
175.11113	0.4
175.14827	2.9
177.12717	0.9
177.16374	7.8
181.10002	0.2
183.11641	0.4
185.13293	1.9
186.14015	0.3
187.14798	20.0
188.15140	1.0
189.16397	2.5
191.14264	1.1
191.17931	2.0
193.15805	0.3
197.13173	0.3
199.14792	1.6
201.16374	6.6
202.16660	0.3
203.14200	0.5
203.17952	1.8
205.15854	51.8
206.16229	1.3
207.17448	0.6
211.14775	0.3
213.16357	1.5
215.17914	4.0
217.15776	0.4
217.19508	0.9
219.17470	1.9
223.16898	6.2
225.16234	0.3
227.17917	0.9
228.18622	0.3
229.15872	0.5
229.19458	1.5
231.17363	0.5
233.18915	0.6
235.20520	0.3
239.17966	0.5
241.19553	1.1
243.17358	0.3
243.21033	0.8
245.18958	0.4
251.20102	0.5
253.19614	0.4
255.21080	2.5
257.18982	0.4
257.22604	0.3
261.22049	0.2
267.21100	0.3
269.22641	1.5
271.20599	0.5
275.23651	0.8
287.23587	0.6
289.21625	0.4
292.19836	0.3
307.22675	0.7
347.25787	1.5
367.30374	0.3
373.27234	0.8
389.32043	0.7
407.32892	2.1
425.33960	5.9
425.39053	0.3
443.35162	100.0
444.35504	4.8
444.40845	0.2
444.47754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.55587	2.1
53.03942	3.2
55.05507	13.7
55.36927	2.0
57.07062	5.1
60.63651	2.0
67.05500	23.6
67.73454	1.9
69.03406	4.4
69.07063	15.1
70.19021	9.9
71.04976	2.8
79.05482	21.0
81.07052	53.2
83.04946	3.2
83.08627	13.1
85.06535	2.9
88.93035	1.8
89.10487	1.9
91.05468	23.5
93.07034	55.9
95.04960	17.5
95.08595	64.1
97.06524	9.4
97.10168	4.2
98.21217	4.5
99.08079	7.6
105.07021	51.5
107.04940	3.0
107.08587	70.5
108.08938	2.5
109.06506	9.6
109.10139	33.5
111.08088	6.3
117.07006	7.2
119.08568	72.6
121.06495	30.3
121.10130	45.6
122.10293	2.3
123.08020	10.9
123.11690	17.0
125.09624	7.6
128.06177	2.6
129.06995	4.9
131.08557	31.1
133.10114	60.0
134.10458	2.5
135.08049	9.7
135.11676	31.9
137.09666	6.0
137.13246	4.5
139.11188	2.9
142.07774	2.6
143.08548	10.0
144.09175	2.4
145.10109	46.2
147.08092	4.6
147.11664	37.3
147.12766	2.9
149.09584	10.7
149.13255	29.4
151.11073	2.5
157.10109	10.7
159.11671	31.6
160.26752	1.9
161.09564	10.3
161.13261	25.5
163.11169	16.6
163.14809	27.4
164.15182	2.0
165.12695	3.4
167.10779	2.4
167.27731	2.1
169.10190	3.1
171.11694	11.8
173.09673	2.9
173.13245	26.9
175.11176	15.1
175.14793	21.1
177.12779	4.9
177.16371	17.4
179.10669	6.6
183.11729	5.6
185.13223	9.5
187.14786	45.6
188.15202	1.9
189.12727	6.3
189.16367	15.0
191.14308	11.0
191.17969	5.6
193.12242	7.3
193.15962	2.5
197.13272	5.3
199.14769	9.2
201.12729	3.4
201.16383	14.8
203.14359	8.5
203.17906	25.7
205.15834	19.6
207.17471	2.4
211.14839	2.7
213.16330	10.0
215.14265	2.0
215.17973	6.7
217.15898	4.2
217.19588	4.0
219.17415	2.5
219.20860	2.1
221.15448	6.6
223.17021	3.5
225.16397	3.3
227.17905	4.2
229.19566	4.1
231.17467	4.8
233.19000	2.7
241.19450	2.7
245.19060	5.8
249.30258	2.1
251.57564	1.8
253.19678	2.9
273.22299	2.7
335.27328	4.6
341.28333	3.3
347.25854	11.2
353.28406	2.9
373.27536	5.3
385.30777	3.4
389.32162	4.2
395.32953	12.8
407.33084	16.8
413.34207	16.9
425.34113	50.2
426.34549	2.4
443.21863	7.5
443.35223	100.0
444.35693	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	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	13.8
67.05494	25.9
69.03416	5.8
69.07048	20.6
69.48425	25.3
71.88327	3.4
79.05489	26.5
81.07056	57.6
82.02345	3.2
83.08601	10.4
91.05470	25.3
93.07036	56.8
95.04951	6.8
95.08604	100.0
97.06548	4.2
97.10180	5.9
105.07018	68.7
107.08578	86.8
109.06453	5.8
109.10149	56.9
117.06996	9.7
119.08572	66.7
121.06469	4.4
121.10139	58.0
123.08058	10.9
123.11677	18.4
125.09640	8.9
129.06995	3.8
131.08560	28.4
133.10115	53.4
135.08023	6.0
135.11688	31.0
137.09561	6.8
143.08549	12.4
145.10110	50.4
147.11668	42.3
149.09607	4.8
149.13274	30.5
151.11142	4.2
157.10107	22.3
158.10927	3.6
159.11696	34.4
161.09608	8.4
161.13243	33.4
163.11148	6.1
163.14809	30.0
171.11646	12.5
173.13248	30.2
175.11215	3.9
175.14793	40.4
177.12766	5.0
177.16376	14.1
185.13232	12.8
187.14816	48.6
189.16370	26.6
190.16684	3.4
191.14253	15.8
191.17937	27.0
193.15833	4.6
197.13252	5.7
199.14816	12.2
201.16405	25.3
203.14331	17.8
203.17932	89.7
205.15910	13.8
207.17531	3.8
213.16377	11.3
215.17938	21.2
217.15854	13.0
217.19460	6.9
221.15294	13.5
227.17879	5.3
229.19463	5.5
231.17348	5.0
231.21135	4.8
233.19060	5.5
239.16261	18.6
243.21155	5.0
267.20901	7.0
283.24158	6.9
311.23669	7.2
329.14182	5.6
329.24686	5.1
347.15353	16.1
347.25699	7.5
365.16400	17.2
373.27289	4.3
389.26956	3.5
389.31921	10.0
407.32999	41.9
425.34372	21.4
443.35196	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	443.3514
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.68412	1.6
53.03925	2.0
53.45650	1.5
55.05502	12.4
57.07071	2.2
58.48183	1.7
58.88676	1.7
66.18540	1.9
67.05164	2.4
67.05494	21.5
69.07068	11.8
69.30360	20.4
72.65373	1.7
79.05489	20.3
81.07048	45.0
83.04940	1.8
83.08605	8.0
83.20052	1.5
86.24075	1.6
91.05468	20.4
93.07032	38.9
95.04933	4.5
95.08598	85.4
97.06522	3.4
97.10172	2.2
98.20764	3.2
105.07023	53.6
107.08582	70.1
109.06503	4.2
109.10146	40.6
111.08054	2.4
117.07008	5.6
119.08564	57.8
121.06502	5.0
121.09306	3.4
121.10136	49.0
123.08047	6.0
123.11687	9.9
125.09682	2.7
128.06178	2.6
129.06958	5.3
131.08563	22.1
133.10127	46.0
135.08052	3.9
135.11665	17.0
137.09607	4.9
137.13249	3.7
141.07007	2.2
143.08516	7.6
144.09344	2.3
145.10098	25.4
147.08035	3.1
147.11667	40.5
149.09554	4.2
149.13246	23.3
152.82738	1.7
155.08540	2.9
156.09387	2.1
157.10139	13.1
159.11667	28.7
161.09575	6.6
161.13252	21.5
163.11182	3.5
163.14839	23.7
169.10048	2.2
170.10797	2.2
171.11681	9.6
173.13220	20.5
175.11168	3.5
175.14821	38.7
177.12675	4.3
177.16414	11.6
183.11664	4.3
185.13307	8.3
187.14774	13.0
188.15228	1.8
189.12677	2.7
189.16368	16.6
191.14293	14.7
191.15723	1.9
191.16273	1.8
191.17940	17.7
193.15755	2.7
197.13318	2.9
199.14787	7.0
201.16325	9.1
203.14330	14.3
203.17938	100.0
204.18297	3.3
205.15869	4.2
205.19435	2.8
211.13184	2.4
213.16379	6.7
214.15195	1.8
215.14330	4.0
215.17917	4.6
217.15923	6.2
217.19408	8.2
221.15413	10.8
229.19414	2.6
231.21059	4.0
235.16847	4.4
239.16284	13.6
243.17361	3.2
243.21019	2.5
255.21075	2.2
257.22525	2.6
281.22794	2.8
311.23541	4.5
329.24673	2.1
349.28983	1.8
389.31885	4.0
395.32971	2.1
407.33145	13.2
408.20468	2.0
425.34109	18.6
443.27997	6.5
443.35107	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	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03941	0.4
55.05499	3.1
57.07058	1.2
57.13017	0.4
67.05500	3.7
68.12144	0.4
69.07059	3.8
70.46774	0.4
71.04971	0.5
71.07486	0.8
77.03954	0.5
79.05475	2.8
81.07047	7.9
83.04967	1.1
83.08612	3.4
85.06525	0.5
91.05455	3.5
93.07027	8.1
94.50265	0.5
95.04940	1.1
95.08598	11.7
97.06504	1.1
97.10136	1.0
99.08070	0.8
105.07014	7.1
107.04992	0.5
107.08585	13.4
109.06496	3.7
109.10140	12.0
111.08057	1.0
117.06998	1.6
119.08576	8.2
121.06492	1.6
121.10132	9.6
122.10510	0.6
123.08049	6.3
123.11696	3.2
131.08548	5.8
133.10115	10.0
134.10408	0.6
135.08026	4.0
135.11711	4.1
137.09657	1.1
137.13239	0.6
140.98924	0.4
141.50011	0.5
143.08542	1.9
145.10103	8.3
145.11131	0.7
147.10612	0.7
147.11678	8.7
149.09601	1.7
149.13246	5.6
151.11179	1.8
153.09065	0.4
154.25764	0.4
157.10114	1.6
159.08044	0.6
159.11665	6.1
159.77698	0.5
161.09587	0.5
161.13217	3.4
163.11197	1.3
163.14810	5.2
165.12807	0.7
169.10126	0.5
171.11720	1.3
172.12390	0.7
173.13232	2.8
175.11214	0.9
175.14799	2.5
177.12738	1.1
177.16376	5.4
181.10359	0.5
181.12216	0.5
183.11649	0.9
185.13261	1.9
187.14803	15.5
189.12711	0.6
189.16356	2.2
191.14291	1.2
191.17896	0.9
197.13234	0.6
199.14848	1.3
201.12787	0.4
201.16356	4.2
203.14255	1.3
203.17937	1.4
205.15854	33.5
206.16185	1.3
211.14807	0.9
213.16435	1.4
215.14394	0.5
215.17928	3.0
217.15871	0.7
217.19394	0.5
219.17355	1.9
223.16898	6.0
227.17862	0.9
229.19438	1.1
231.17500	0.5
233.19067	0.5
238.62656	0.4
241.19505	0.8
243.21071	0.7
255.21143	1.5
257.22668	0.5
265.14896	0.4
276.32379	0.5
287.23578	0.6
300.82089	0.4
311.23743	0.9
329.24768	0.6
347.21396	0.6
347.25748	11.4
357.27722	0.5
373.27295	4.6
395.61322	0.5
407.33044	2.7
425.34009	4.8
443.35159	100.0
444.35397	7.0
444.40958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.0
57.07065	3.6
59.04988	1.4
59.94555	1.7
63.51191	1.5
67.05485	10.8
69.07069	9.0
69.32617	17.9
71.04986	1.8
79.05478	6.0
81.07050	19.4
83.08588	4.8
85.06542	2.8
91.05459	7.7
93.07041	20.7
95.08035	2.6
95.08598	28.5
97.10168	2.2
99.08083	26.6
105.07015	20.6
107.08591	33.8
109.06470	1.8
109.10150	27.4
117.06993	2.5
119.07772	2.5
119.08574	33.0
119.09397	1.1
121.10139	27.7
123.08074	2.6
123.11708	7.9
127.07543	11.0
131.08566	11.1
133.10121	31.5
135.08003	2.6
135.11690	21.1
137.09579	1.9
137.13272	3.4
143.08511	5.0
144.09302	2.1
145.10120	14.1
147.11673	20.6
149.09552	2.6
149.13258	15.2
151.11128	1.7
155.08551	2.2
157.10075	9.9
159.11674	17.6
161.13228	13.9
163.11186	5.5
163.14819	14.5
169.10078	3.0
170.10922	2.1
171.11639	9.9
173.13239	11.8
175.11125	2.7
175.14764	10.5
177.12727	2.5
177.16383	7.3
183.11736	2.7
185.13316	9.0
187.14832	12.6
189.16420	8.9
191.14235	4.6
191.17909	9.6
195.13861	1.9
197.13141	2.1
199.14796	8.5
201.12808	2.3
201.16373	10.7
203.14227	3.7
203.17926	6.9
205.15880	9.1
205.73502	1.6
207.13721	1.7
207.17464	2.6
213.16295	10.8
215.17950	3.9
217.15843	4.2
217.19356	3.4
219.13838	2.6
219.17415	3.0
223.16829	3.2
225.16351	2.5
227.17943	4.7
229.19424	2.9
231.17494	8.4
241.19588	3.3
243.17233	1.9
245.19060	2.3
249.18451	4.9
285.22052	4.5
292.74271	2.0
299.27209	1.7
314.03009	1.9
329.25165	1.9
369.31363	3.9
395.32681	2.9
397.34564	6.6
407.33154	22.9
425.34064	47.1
443.33578	100.0
444.33783	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03933	0.5
55.05507	2.3
56.96569	0.3
57.03417	0.3
57.07064	0.5
59.04994	0.5
62.70852	0.3
67.05499	3.4
69.07058	4.2
71.62803	0.6
74.74176	0.3
79.05486	3.0
81.07047	8.5
81.90404	0.3
83.04943	0.7
83.08610	2.3
85.06519	0.5
90.24829	0.3
91.05460	3.5
91.23660	0.3
93.07042	7.2
93.54981	0.2
95.04959	1.0
95.08597	12.7
97.02859	0.3
97.06498	0.5
97.10152	0.9
98.21014	0.4
99.08071	0.5
105.07019	7.1
107.04990	0.4
107.08582	13.0
108.08896	0.4
109.06517	2.8
109.10146	8.6
111.08067	1.1
117.06988	1.5
119.08568	8.3
121.06510	1.1
121.10130	9.7
123.08051	5.8
123.11670	3.0
125.09592	0.7
129.06979	0.6
130.07785	0.3
131.08554	4.4
133.06511	0.4
133.10121	8.0
135.08044	2.9
135.11662	5.5
137.09618	1.1
137.13257	0.9
143.08519	1.5
145.10107	8.4
146.10406	0.3
147.11676	8.3
149.09573	1.9
149.13245	5.8
151.11227	1.4
157.10083	1.4
159.11670	5.8
161.09581	0.5
161.13231	4.1
163.11145	1.6
163.14799	5.7
165.12819	0.4
171.11629	1.8
173.09772	0.4
173.13232	3.1
175.11194	1.2
175.14838	2.9
177.12740	1.4
177.16373	5.8
179.14230	0.3
183.11746	0.7
185.13254	1.8
187.14810	12.7
188.15140	0.3
189.12758	0.6
189.16354	3.1
190.16699	0.3
191.14314	1.1
191.17970	1.0
193.15953	0.6
199.14833	1.4
201.12796	0.5
201.16357	5.3
203.14323	2.6
203.17899	3.3
205.15860	30.6
206.16251	0.9
207.17470	1.8
211.14835	0.5
213.16365	1.4
215.17892	2.7
217.15959	0.3
217.19577	0.4
219.17418	1.5
223.16887	3.1
227.17935	0.7
229.19498	1.4
237.16386	0.5
239.17972	0.5
241.19516	0.8
245.18927	0.4
251.20117	0.4
253.19601	0.6
255.21034	1.9
269.22647	1.0
271.20532	0.3
273.22125	0.3
299.23453	0.3
329.24698	0.9
347.25772	7.5
348.25989	0.5
373.27356	5.6
373.31958	0.3
395.32651	0.4
407.33130	2.1
410.86041	0.3
423.08914	0.3
425.34119	6.6
426.34213	0.7
443.35165	100.0
444.35562	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	443.3514
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
52.41539	0.2
53.03933	0.4
55.05502	2.4
56.35935	0.2
57.03424	0.3
57.07056	0.8
59.04991	0.4
62.84480	0.2
65.03927	0.2
67.05491	3.5
69.03400	0.2
69.07054	3.2
69.93717	1.3
71.04972	0.5
71.08640	0.2
77.03955	0.2
79.05479	3.0
81.07041	8.2
83.04977	0.6
83.08607	2.5
85.06532	0.5
87.03959	0.2
87.04451	0.5
91.05472	2.6
93.06457	0.5
93.07032	7.3
93.07615	0.5
95.04936	1.1
95.08594	12.4
96.08908	0.3
97.06509	0.5
97.10159	1.0
97.73605	0.2
99.08077	0.3
103.05480	0.2
105.07012	6.7
107.04917	0.2
107.08576	12.8
108.08860	0.2
109.06504	2.6
109.10136	7.8
111.08092	1.2
117.07001	1.2
119.08561	7.3
119.09424	0.3
121.06481	1.3
121.10122	10.5
123.08047	5.6
123.11668	2.9
125.09614	0.6
129.06978	0.5
130.07762	0.3
131.08543	4.7
133.10106	6.6
135.08025	2.5
135.11671	3.8
137.09592	1.2
137.13246	0.9
139.11217	0.4
142.07782	0.3
143.08501	1.2
144.09207	0.3
145.10095	8.4
146.10663	0.3
147.11662	9.2
149.09637	1.7
149.13217	5.0
151.11160	1.2
151.14853	0.3
157.10074	1.7
158.10896	0.4
159.11659	5.5
161.09595	0.4
161.13217	3.3
163.11194	1.2
163.14786	5.2
164.15034	0.2
165.12788	0.5
169.10068	0.4
171.11636	1.3
172.12462	0.3
173.09578	0.3
173.13229	2.9
175.11172	0.7
175.14769	2.2
177.12776	1.0
177.16350	4.2
183.11661	0.5
185.13222	1.5
186.13861	0.3
187.11212	0.3
187.14793	9.7
188.15149	0.2
189.12737	0.4
189.16364	2.2
191.14247	1.0
191.17953	1.0
193.15848	0.5
197.13199	0.7
199.14795	1.4
201.16351	5.2
202.16705	0.3
203.14233	1.2
203.17921	3.5
204.18373	0.2
205.15845	23.6
206.16167	0.6
207.17451	0.9
213.16367	1.3
215.14433	0.4
215.17917	2.2
217.19447	0.4
219.17339	1.1
223.14891	0.4
223.16876	2.7
225.16417	0.5
227.17920	0.8
229.19489	0.9
233.18958	0.4
241.19434	0.7
245.19066	0.3
253.19418	0.3
255.20993	1.9
257.22681	0.4
267.21204	0.3
269.22610	1.0
283.20419	0.3
311.23639	0.3
329.24557	0.4
331.45490	0.2
347.25754	8.0
348.26221	0.3
373.27322	5.9
374.27692	0.4
389.31949	0.5
407.32968	1.5
425.34055	5.0
426.34271	0.3
443.35138	100.0
444.35483	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	443.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49992	0.5
55.05512	2.9
55.05729	0.7
55.18015	0.4
57.03425	0.7
57.07074	1.2
67.05499	3.8
69.03424	0.5
69.07065	3.9
79.05486	2.8
81.07051	7.8
81.27471	0.4
83.04998	1.0
83.08617	3.6
86.09695	8.3
91.05460	2.8
93.07040	7.9
95.04949	1.2
95.08598	12.1
97.06518	0.7
97.10162	1.3
98.21469	2.0
103.04590	0.5
103.05406	0.8
105.07018	7.1
107.07846	0.9
107.08581	15.4
109.06494	3.6
109.10153	9.6
110.10487	0.5
111.08080	1.2
114.96445	0.5
117.07019	0.7
119.08564	8.7
121.06511	1.1
121.10136	11.8
123.08064	6.7
123.11687	3.0
129.06989	0.8
131.08556	5.9
133.10117	8.0
134.10471	0.5
135.08043	3.8
135.11678	4.2
137.09596	1.1
137.13278	0.8
143.08548	1.1
145.10109	7.8
147.11676	10.2
149.09642	1.4
149.13231	5.2
151.11169	1.4
157.10115	2.1
159.11697	4.9
161.09682	0.6
161.13292	3.6
163.11253	1.4
163.14809	6.7
165.12703	0.9
171.11690	1.2
173.13310	2.6
175.11205	0.9
175.14815	2.0
177.12776	2.1
177.16342	5.4
183.11650	0.5
185.13275	1.9
186.14888	6.0
187.14801	12.5
189.16379	1.4
191.17966	0.8
199.14850	1.7
201.16391	4.3
202.06831	0.5
205.15858	34.9
206.16275	0.7
207.17386	0.7
211.14949	0.7
213.16376	1.6
214.14346	1.6
215.17941	2.3
217.15857	0.5
219.17523	0.9
223.16888	3.6
229.19435	0.9
233.19122	0.6
235.92645	0.6
250.60289	0.5
255.21060	1.7
269.22537	1.2
314.19586	0.9
315.33640	0.6
347.25797	12.8
363.67389	0.6
373.27426	4.5
399.28448	2.7
399.46347	0.5
407.33115	1.5
425.34128	5.2
443.35205	100.0
444.35443	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	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03959	3.6
55.05498	16.8
55.94654	3.0
57.03420	5.8
57.07067	6.7
62.61681	2.9
65.03917	4.9
65.50500	3.2
67.05502	37.2
69.03419	5.8
69.07059	25.1
70.33385	11.8
71.04992	5.0
79.05484	40.6
81.07048	65.9
83.04974	3.8
83.08612	10.3
85.06541	4.8
91.05464	37.0
93.07034	66.2
95.04949	15.2
95.08596	94.8
97.06503	8.5
97.10156	8.5
99.08079	10.9
103.05495	3.9
105.07022	85.2
107.08586	94.2
109.06508	12.4
109.10146	50.8
111.08070	4.2
111.11784	3.1
113.09621	3.1
117.07014	9.9
119.08570	100.0
120.08913	4.2
121.06506	15.9
121.10129	66.3
122.10514	4.4
123.08075	12.5
123.11713	19.8
125.09600	8.5
128.06197	4.8
129.06989	8.5
130.07765	5.4
131.08540	45.6
133.10115	78.0
135.08055	8.1
135.11667	42.6
137.09581	7.5
142.07794	5.1
143.08540	20.9
144.09267	3.8
145.06419	6.0
145.10104	48.5
147.08080	5.9
147.11674	62.2
149.09612	9.9
149.13254	38.0
151.07538	4.2
155.08568	7.2
156.09447	4.1
157.10117	22.7
159.08014	4.5
159.11678	42.5
161.09604	13.4
161.13251	40.5
163.11171	14.1
163.14825	32.2
165.09116	10.8
165.12798	3.8
167.08597	5.5
169.10101	7.3
171.11693	17.3
173.09534	5.3
173.13255	41.6
175.11200	11.8
175.13449	4.4
175.14828	43.0
177.12689	5.8
177.16383	20.7
183.11684	10.5
185.13229	14.0
187.11212	4.0
187.14801	54.2
188.15198	3.5
189.12770	8.7
189.16389	24.4
191.14281	30.1
191.17989	16.1
193.12233	6.3
193.15962	3.2
195.11725	4.5
197.13159	7.9
199.14798	11.0
201.16362	31.7
203.14313	16.4
203.17946	78.3
204.18289	5.2
205.15906	16.9
207.17551	5.4
211.14818	4.6
213.16428	14.3
215.14365	3.9
215.17989	9.0
217.15956	8.3
217.19530	7.1
219.17429	15.0
221.15387	13.7
223.16957	6.9
225.16257	3.6
227.17940	4.2
229.19458	5.4
231.17439	8.0
239.16275	7.6
243.21080	4.0
245.18953	7.2
247.20663	4.3
253.19655	3.8
259.20609	4.1
275.74435	3.2
351.23270	4.0
369.24429	3.4
389.32013	4.9
395.33252	7.5
407.33127	29.2
413.34161	9.8
425.34308	44.7
443.27316	27.6
443.35651	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	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.8
57.07014	2.5
67.05494	21.8
69.07056	21.2
70.98119	4.8
79.05486	15.9
81.07045	49.1
83.08594	11.9
91.05458	10.6
93.07027	32.0
93.34167	2.6
95.04988	2.8
95.08593	79.6
97.10152	10.3
105.07008	29.4
107.08585	55.2
107.66459	2.5
109.06466	7.2
109.10140	62.4
111.08069	2.4
111.11713	4.1
119.08566	33.9
121.10126	53.2
123.08035	14.9
123.11691	21.5
125.09612	4.8
131.08549	7.8
133.10117	33.8
135.08028	7.8
135.11652	34.3
137.09558	2.4
137.13222	6.9
145.10126	14.3
147.11655	22.1
149.13232	25.3
151.11174	5.7
157.10130	3.4
159.11668	12.8
161.13232	20.0
163.14810	38.4
173.13197	7.1
175.14803	16.2
177.16360	25.5
179.14232	5.8
179.17871	3.9
187.14830	20.5
188.00060	2.3
189.16336	15.8
191.17926	68.9
193.15787	3.0
201.16339	9.7
203.14317	3.5
203.17934	31.1
205.15866	17.8
205.19473	13.3
207.17404	4.5
215.17973	7.6
217.19487	39.2
219.17390	4.1
221.18927	9.6
223.16988	5.2
229.19385	4.3
231.21077	7.5
233.18976	6.4
235.20522	26.1
243.21187	3.1
245.22612	4.8
263.23804	2.4
329.24564	2.8
347.25797	19.9
373.27380	8.7
395.36533	11.7
397.37909	4.1
407.36707	11.0
413.37640	13.7
425.37933	35.8
443.34854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3878
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.91788	1.8
53.28877	1.6
55.05503	11.8
57.03421	2.1
57.07059	5.4
58.92219	1.6
65.03946	1.6
67.05499	22.5
69.07057	20.9
71.08630	2.3
79.05494	16.6
80.25416	1.7
81.07046	48.0
83.04944	1.8
83.08605	13.1
85.06519	2.1
91.05473	16.3
93.07034	35.6
95.04932	3.1
95.08594	100.0
97.10175	9.0
99.08080	2.3
105.07022	29.7
107.08580	55.6
109.06494	2.0
109.10146	64.5
111.08060	5.0
111.11699	3.3
117.06977	2.1
119.08575	36.2
119.09430	1.7
121.10132	53.2
123.07978	1.8
123.11689	27.9
125.09603	7.1
128.06171	1.6
131.08546	4.3
133.06575	1.9
133.10121	27.3
135.11676	37.5
137.09613	2.7
137.13240	7.4
137.85478	1.6
139.11163	3.6
145.10077	9.7
147.10609	3.0
147.11670	28.7
149.13239	22.8
151.11159	2.5
151.14801	1.7
157.10190	2.0
159.11699	9.4
161.13246	25.8
162.74857	1.5
163.14812	37.6
165.09096	2.7
165.12712	3.1
165.16528	1.7
171.11705	2.3
173.13271	7.3
175.14790	19.5
177.16359	27.5
179.14291	5.3
187.14766	11.4
189.16379	18.2
191.17917	71.3
193.15929	3.7
201.16389	6.6
203.17924	37.2
205.15906	8.3
205.19518	10.0
207.17467	5.6
213.16365	2.3
215.17908	6.6
217.19478	45.8
218.19746	1.7
219.17487	1.8
221.18953	11.9
229.19508	2.5
231.21094	5.8
233.18964	5.6
235.20535	36.0
235.22778	3.5
243.21082	2.8
245.22707	4.2
263.23776	2.7
277.25229	1.7
395.36566	11.2
407.36536	5.8
413.37720	16.7
425.37854	38.7
443.28799	2.1
443.34674	7.2
443.38989	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	443.3882
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03952	2.0
55.05505	16.5
57.07067	5.7
65.03940	2.6
67.05499	25.8
69.07058	21.1
70.20930	1.8
71.08617	2.1
71.63607	4.0
79.05489	16.7
81.07053	47.1
83.04974	2.6
83.08627	13.9
85.06538	2.6
91.05453	14.4
93.07040	33.6
95.04971	3.1
95.08602	100.0
97.06489	2.7
97.10152	10.4
100.04864	2.1
104.90537	1.8
105.07030	35.2
107.08591	67.8
109.06489	2.4
109.10149	71.6
111.11723	4.3
117.07032	4.3
119.07773	3.2
119.08582	44.0
121.09296	4.0
121.10134	62.1
123.08056	2.2
123.11700	25.0
125.09612	6.7
131.08521	6.7
133.10126	29.5
135.11688	38.7
137.09613	2.3
137.13239	10.9
139.11150	4.4
143.08614	2.4
145.10139	12.1
147.11678	25.4
149.09523	2.3
149.13248	30.6
151.11201	2.2
151.14818	3.4
159.11661	11.6
159.47014	2.3
161.13243	30.3
163.13556	3.4
163.14827	36.4
165.12804	3.7
171.11609	3.4
173.13301	7.1
175.14824	18.9
177.16377	29.5
179.14279	3.7
187.14864	12.5
189.16365	20.3
191.14299	2.7
191.17946	79.8
201.16376	8.4
203.14378	2.2
203.17966	36.5
205.15886	8.9
205.19499	12.9
207.17487	3.7
213.16284	2.3
215.17911	8.6
217.19505	45.3
219.17485	2.7
219.20998	2.9
221.19032	13.9
229.19437	2.2
231.21030	4.2
233.19032	6.3
235.20573	30.3
245.22617	4.0
263.23743	3.7
395.36798	10.3
397.38379	2.5
407.36716	5.7
413.37784	14.2
425.37952	36.0
443.28036	4.6
443.34842	14.1
443.39514	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
54.83636	1.1
55.01847	4.1
55.05291	1.1
55.05502	10.8
56.96532	1.1
57.03434	1.7
57.07065	2.1
65.03925	1.9
67.05158	1.7
67.05493	21.1
69.03401	3.6
69.07057	9.8
69.45264	4.5
69.45690	5.4
70.90395	0.9
71.01338	1.6
71.04961	2.8
79.05059	1.3
79.05485	20.8
81.03393	3.9
81.07044	59.6
83.04961	4.7
83.08601	8.9
85.02881	1.5
85.06516	1.4
89.02406	1.2
91.05446	18.3
92.05819	1.1
93.06464	1.5
93.07029	21.5
95.04951	9.8
95.08051	1.3
95.08594	18.6
96.08904	1.1
97.06514	4.3
97.10131	2.4
99.08065	2.8
105.07014	23.6
106.07358	1.6
107.04948	7.4
107.08578	14.2
109.06495	17.6
109.10141	9.1
111.08044	3.7
117.06995	5.2
119.08565	18.1
120.08893	2.9
121.06483	3.4
121.10115	13.8
123.08047	5.0
123.11714	4.9
125.09626	2.2
129.06987	2.5
131.08548	11.5
133.06462	1.1
133.10106	16.9
134.10435	1.7
135.08002	5.0
135.11656	4.2
137.09572	4.2
143.08553	2.3
145.10083	10.7
147.07985	1.4
147.11656	15.8
148.12004	1.9
149.09605	6.7
149.13260	6.5
151.11166	4.0
155.08578	1.1
157.10126	5.6
159.11652	8.9
161.09676	2.3
161.13237	3.9
163.11133	7.2
163.14803	3.0
165.12733	5.3
169.10034	1.7
169.21002	1.1
171.11682	2.5
173.09665	1.9
173.13266	6.1
174.13452	1.5
175.11194	3.7
175.14845	2.7
175.16347	1.1
177.12752	3.9
179.14291	1.4
183.11676	1.8
185.13301	1.7
187.14815	2.4
191.14279	2.6
192.18394	1.6
193.12172	3.1
195.13744	1.0
197.13120	2.3
199.14827	1.9
203.17949	4.4
204.18257	3.6
205.15794	1.5
209.56145	1.0
215.17863	1.1
217.11847	1.2
219.13690	1.7
229.19444	3.1
239.18022	2.3
247.20555	3.9
257.18985	9.6
275.20026	100.0
276.20349	4.1
281.10754	1.8
293.21054	42.5
294.21310	1.2
301.13391	1.7
311.22141	2.7
316.11813	1.5
359.02841	1.2
363.21515	5.4
391.20987	3.5
409.22134	17.7
426.30081	2.1
444.24033	1.5
444.31741	1.6
444.35370	1.0
444.70056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76188	0.3
55.01830	0.8
55.05487	0.3
64.08539	0.3
67.01837	0.6
67.05452	0.5
68.99786	1.7
69.03377	0.4
69.07014	0.5
69.40624	3.0
71.04933	0.3
77.31082	0.3
79.05448	0.8
80.39287	0.3
81.03355	0.4
81.07010	0.3
85.02869	0.4
91.05417	1.1
93.07000	0.7
95.04924	0.7
95.08584	0.6
95.64284	0.3
97.06474	1.1
98.20649	0.6
98.21270	1.1
103.05417	0.4
105.06989	0.6
107.04903	0.6
107.08594	0.4
109.02804	0.6
109.06472	0.6
111.00743	0.6
115.05420	0.7
117.06952	0.9
119.04881	0.3
119.08536	0.4
121.02843	0.6
121.10088	0.4
123.04431	0.3
127.03875	0.4
128.06183	0.7
129.06923	1.2
131.08524	0.8
133.06427	0.5
133.10088	0.5
135.07965	0.3
137.02284	0.8
139.03810	0.4
141.06920	0.9
145.06383	1.3
147.04401	0.6
147.08006	0.4
149.02332	0.4
151.07478	0.7
153.01811	16.1
153.06804	0.4
156.05542	0.4
157.06473	1.5
159.08032	0.5
161.05951	0.6
163.03793	0.3
165.01849	2.6
166.02521	0.4
169.06438	0.6
171.04350	0.7
171.08014	0.7
173.05911	0.8
175.03809	0.6
175.07425	0.6
179.03363	0.9
181.01311	0.5
181.06430	0.6
183.02750	0.4
183.07983	0.4
184.05220	0.3
185.05923	1.7
187.03879	0.5
187.07553	0.4
189.05304	0.4
190.02629	0.3
191.03279	0.6
193.01257	0.4
195.02885	1.0
197.05894	1.3
199.07532	0.7
201.05429	1.0
203.03355	0.7
203.06967	0.6
205.04837	0.5
207.02853	0.7
209.05948	0.9
213.05490	2.2
214.06198	0.7
215.03227	0.5
215.06995	0.9
217.04852	0.6
219.02939	0.4
219.06377	0.7
219.08240	0.4
223.07512	0.5
225.09018	0.3
227.07010	2.0
228.04140	0.6
229.04944	1.8
230.05635	0.8
231.02762	1.1
231.06438	1.0
233.04404	0.6
235.02202	0.4
237.05347	0.5
239.01765	0.6
240.04082	1.3
241.04895	1.8
241.08534	0.4
243.02782	0.5
243.06540	0.7
244.03687	1.1
245.04378	1.1
245.08176	0.5
247.02342	0.6
250.06207	0.5
251.07002	0.6
253.04939	1.2
254.05614	1.0
255.06419	2.5
255.10239	0.4
257.04306	2.1
258.05164	2.5
259.05963	2.0
261.03839	0.9
265.08560	1.1
267.06369	0.9
268.03729	0.7
268.07050	0.4
269.04416	2.5
269.07620	0.7
270.05228	0.4
271.02325	1.2
271.05887	0.9
272.03000	0.8
273.03964	0.4
273.07425	0.9
277.04715	0.4
277.08322	0.3
278.05725	1.1
279.06418	0.9
280.07281	0.4
281.04364	1.2
281.07846	0.3
282.05145	1.5
282.08652	0.6
283.02542	0.4
283.06097	1.5
283.09351	1.4
284.03036	0.4
285.03946	4.3
285.07111	0.4
286.04620	3.8
287.05457	2.4
287.08676	0.5
289.03494	0.6
293.04797	0.4
293.08011	5.8
294.08560	0.4
295.05988	2.5
295.09058	0.5
296.03122	1.2
297.03860	2.4
297.07520	1.0
298.04443	0.5
299.01843	1.8
299.05481	1.0
299.08813	0.4
300.02603	1.4
300.05878	0.7
301.03476	1.4
303.06268	0.5
306.05185	1.0
309.04034	2.7
309.07211	0.6
310.04608	1.8
310.08209	0.7
311.05472	1.9
311.09094	5.1
312.09491	0.3
313.03424	8.7
313.06970	1.0
314.04132	3.6
314.07593	0.5
315.04889	1.5
315.08594	1.7
320.06680	0.7
321.03940	0.4
321.07510	4.1
323.02087	0.4
323.05316	1.5
323.08881	0.4
324.02533	1.3
324.06125	0.6
325.03351	2.5
325.06964	0.7
326.04202	0.7
327.01276	0.9
327.04919	1.2
327.08423	0.4
328.02081	2.0
328.05634	0.4
329.03003	0.4
329.10217	1.1
331.05817	0.5
334.04617	0.8
337.03381	2.2
337.06784	0.4
338.04077	0.9
338.07794	1.2
339.04977	1.4
339.08591	8.0
341.02905	12.5
341.06470	0.8
341.09854	0.5
342.03635	15.3
343.04156	1.0
343.08115	1.5
349.07050	5.9
350.07260	0.4
351.04922	3.7
351.08585	0.3
353.02792	1.1
353.06491	1.0
355.04303	1.3
355.08133	1.6
356.05133	0.8
357.02313	0.4
357.09604	4.9
365.06656	0.8
366.07120	0.9
367.08090	16.3
368.08334	0.4
369.05972	4.1
369.09784	0.3
370.03122	31.2
371.03439	0.9
371.07672	1.2
377.06516	1.8
383.07272	0.5
383.11652	0.5
384.08340	8.0
385.04416	0.4
385.09134	5.4
395.07568	56.7
396.07996	1.9
399.10706	0.6
413.08618	100.0
414.08966	3.4
417.12173	0.4
427.10104	2.1
445.11264	5.2
445.29056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01824	0.3
55.05490	0.6
67.05468	0.8
68.99772	1.0
69.03391	0.8
69.07020	0.5
70.08904	0.6
70.09317	0.9
71.04993	1.3
77.13947	0.3
79.05450	0.9
81.03362	0.7
81.07031	1.9
81.14382	0.2
83.04948	0.7
85.02859	0.7
85.06525	0.3
89.03897	0.3
89.18300	0.3
91.05438	1.0
91.86917	0.3
93.07019	1.2
95.04910	0.4
95.08549	0.4
97.02836	0.7
97.06496	0.4
98.21373	0.4
99.04423	0.6
100.11192	0.4
105.03362	1.0
105.07024	1.5
107.04922	0.3
107.08546	0.9
109.02842	0.4
109.06481	0.4
109.10116	0.7
115.05431	0.4
117.06962	0.4
119.04893	0.4
119.08530	0.9
121.06441	0.3
121.10090	0.7
121.30112	0.3
121.37051	0.3
123.08072	0.3
123.11665	0.6
125.09598	0.3
127.03896	0.4
128.06215	0.5
129.06956	1.1
131.04903	0.5
131.08510	0.6
133.10048	0.7
135.08022	0.4
135.11578	0.3
137.02342	0.6
137.53784	0.2
139.05394	0.3
140.10632	0.4
141.06970	0.6
143.04881	0.4
143.08534	0.4
145.02817	0.7
145.06505	1.3
145.10112	0.7
147.04259	0.4
147.07988	0.4
147.11633	0.4
151.07484	0.7
153.01805	3.2
155.04852	0.4
155.08455	0.4
157.02811	1.3
157.06500	1.8
159.08066	0.3
159.11703	0.4
161.09653	0.3
163.03920	0.5
163.07498	0.3
165.01817	0.5
165.12758	0.3
169.06468	0.4
171.04317	1.3
171.11639	0.4
173.05957	0.3
175.03905	2.0
185.05954	0.6
197.05940	0.9
197.11729	0.6
199.03879	1.2
199.07458	0.5
201.05363	0.3
205.01349	0.3
208.48723	0.2
213.05452	4.5
221.15260	0.3
225.05540	0.5
231.02873	1.0
231.06500	0.3
241.04924	28.8
242.05437	1.4
247.02158	0.4
253.04897	1.2
255.06677	0.5
257.04584	0.5
257.17508	0.4
265.08630	0.3
267.06308	0.4
268.03540	0.3
269.04416	37.9
270.05142	5.3
271.05991	3.7
273.04074	0.3
279.01331	0.3
281.04724	0.4
283.05994	0.9
283.09625	0.3
284.06900	0.4
285.03915	0.8
285.07501	6.1
287.05685	0.3
293.07993	0.5
296.02969	0.3
297.03897	100.0
298.04599	10.3
299.05338	0.6
311.05692	0.4
311.09009	1.4
313.03360	1.4
313.07037	0.7
314.03979	0.5
315.04898	0.8
321.07541	0.3
323.09091	0.6
329.06488	10.0
330.07120	0.7
339.08643	1.9
341.06500	1.3
341.10223	1.9
349.07266	0.4
351.08755	0.5
359.02762	0.4
367.08145	0.7
385.09113	2.9
395.07999	1.2
399.10809	0.4
413.08612	37.6
414.09094	0.8
417.11740	0.6
427.09918	0.6
445.11252	29.1
445.28128	0.4
446.11594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
57.03407	0.5
67.05473	0.9
68.99775	1.1
69.03420	0.6
69.07032	0.3
70.75564	0.5
70.75938	0.4
71.04995	1.5
73.02908	0.2
73.52390	0.2
79.05461	0.6
81.03381	0.7
81.07056	1.5
83.04958	0.3
85.02835	0.5
85.06554	0.3
86.09660	0.2
88.48532	0.2
89.03859	0.3
91.05417	0.9
91.05872	0.4
93.07001	0.7
95.04944	0.7
95.08572	0.7
97.02856	0.8
97.06516	0.5
98.21021	0.3
98.97561	0.3
99.04385	0.3
102.42956	0.2
105.03371	1.1
105.06998	1.0
107.08562	0.9
109.06474	0.4
109.10085	0.4
110.90444	0.2
111.04423	0.3
115.05424	0.4
117.06993	0.4
119.04929	0.3
119.08533	0.6
121.10114	0.4
125.05924	0.2
127.03896	0.4
128.06187	0.4
129.06961	0.8
131.08572	0.4
133.10094	0.8
137.02301	0.5
137.09569	0.2
139.03853	0.3
141.06938	0.7
145.02820	0.5
145.06462	1.0
147.04449	0.3
147.11635	0.3
151.07419	0.4
151.11140	0.4
153.00693	0.3
153.01811	3.1
155.04826	0.4
157.02852	1.2
157.06476	1.4
165.01814	0.7
165.09064	0.5
167.05533	0.3
169.06461	0.6
171.04384	1.2
173.05986	0.4
175.03867	1.8
179.03354	0.5
179.52036	0.2
185.05939	0.7
187.03854	0.2
195.04427	0.3
197.05981	0.9
198.99081	0.3
199.03859	1.0
199.07581	0.2
201.05428	0.5
201.14819	0.2
213.05449	4.2
225.05498	0.5
227.07016	0.3
229.04977	0.3
231.02826	0.7
241.04935	26.0
242.05666	1.4
253.04930	0.8
255.06538	0.2
257.04468	0.4
257.17349	0.5
267.06427	0.4
269.04425	36.1
270.05142	4.6
271.05939	3.6
281.04596	0.3
283.06030	0.8
283.09476	0.3
284.06833	0.4
285.04010	0.9
285.07504	6.4
287.05450	0.4
293.07919	0.5
297.03912	100.0
298.04657	10.6
298.08133	0.3
299.05304	0.5
303.04999	0.6
311.05673	0.4
311.09119	1.4
313.03381	1.3
313.07111	0.7
315.04971	0.8
321.07434	0.6
323.08960	0.7
325.07230	0.3
327.05331	0.3
329.06528	11.3
330.07205	0.6
339.08612	1.7
341.06451	1.6
341.10278	1.3
349.07092	0.4
351.08585	0.6
359.02985	0.6
367.08099	1.0
369.09610	0.9
385.09122	2.8
395.07700	1.5
399.10562	0.5
413.08633	40.5
414.08948	1.1
417.11459	0.4
427.10126	0.7
445.11267	30.4
446.11728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.7
52.43484	0.6
53.03932	2.5
53.28774	0.7
55.01859	2.4
55.05508	13.5
56.68123	0.7
57.03416	1.6
57.07064	1.4
60.31387	0.7
65.03924	2.3
67.05497	31.7
69.03416	1.8
69.07064	10.4
69.27493	1.3
69.27901	6.1
71.04977	1.9
77.03922	0.7
79.05482	29.9
81.03378	1.5
81.07048	30.3
83.04966	2.5
83.08601	5.3
85.06507	2.0
85.38391	0.7
87.01731	0.6
91.05461	41.2
91.73816	0.6
93.07034	28.7
95.04961	5.2
95.08598	18.7
96.73681	0.5
96.86226	0.6
97.06519	3.5
97.10147	2.6
99.08083	1.0
99.67178	0.7
99.94495	0.6
101.05984	0.7
103.05427	1.9
105.07018	41.6
106.07357	0.6
107.04924	3.8
107.08582	13.6
109.06516	4.7
109.10142	8.2
111.08059	2.1
112.42511	0.6
115.05428	3.3
116.06262	0.9
117.07007	20.2
119.05006	0.7
119.08567	24.5
121.06506	3.9
121.10130	8.2
123.08040	2.3
123.11678	1.5
125.09617	2.5
128.06215	3.4
128.07018	0.7
129.06990	12.1
130.07825	0.9
131.08551	29.3
133.06482	2.2
133.10106	13.8
135.08089	1.6
135.11707	3.4
137.09581	1.8
141.06995	5.3
142.07744	1.1
143.08557	12.7
145.06473	2.9
145.10112	18.4
146.10829	1.0
147.08032	3.7
147.11678	4.0
149.09598	2.3
149.13187	1.4
151.11220	0.7
152.45938	0.7
154.07762	1.1
155.08549	6.6
157.10104	9.7
159.08023	1.9
159.11673	7.9
161.09604	1.7
161.13231	2.1
163.11179	0.7
167.08565	2.0
168.09242	0.8
169.10094	5.5
171.08040	0.8
171.11653	5.5
171.20999	0.6
173.09669	1.0
173.13266	2.6
174.75171	0.6
175.11263	0.7
175.14774	1.1
177.12688	0.8
181.10112	2.9
183.11684	3.0
185.09685	0.8
185.13260	5.0
187.11241	1.1
187.14764	3.3
189.12691	0.7
193.10229	0.9
195.11676	2.3
197.13193	3.9
199.11203	0.7
199.14789	2.2
201.12701	1.3
201.16360	1.2
209.13231	2.1
211.14813	3.2
213.16402	1.2
215.14203	1.0
223.14731	1.6
225.16310	1.8
227.14226	1.6
229.15860	1.1
233.15327	1.7
237.16316	0.8
241.15889	1.1
243.17491	0.7
244.46626	0.7
245.15361	1.3
247.16948	2.5
255.17325	1.1
259.16922	1.2
261.18463	1.7
271.16992	1.1
273.18430	1.8
304.19196	0.7
325.25336	2.0
335.23709	4.1
343.26361	4.5
347.22061	0.9
353.24713	13.5
355.26367	0.7
359.02640	1.2
371.25751	13.6
389.26822	13.5
427.28241	2.2
445.29407	100.0
446.29797	3.2
466.41333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01854	0.9
55.05508	9.2
57.03415	1.7
59.04992	0.7
65.03933	1.5
67.05502	23.5
69.03427	1.0
69.07066	8.7
71.04968	1.2
71.63674	1.5
79.05058	1.1
79.05493	21.3
81.07049	23.8
83.04961	2.6
83.08625	4.7
85.06503	1.5
91.05464	29.6
93.06467	1.3
93.07037	21.0
95.05004	4.6
95.08035	1.1
95.08598	14.7
97.06512	2.5
97.10145	2.6
102.24300	0.7
103.05412	1.2
105.07021	27.8
107.04922	2.9
107.08581	11.6
109.06484	2.5
109.10140	6.6
111.08035	1.4
115.05418	1.4
117.07003	16.1
119.08573	17.9
121.06477	2.5
121.10157	7.5
123.08025	2.5
123.11647	1.4
125.09564	1.5
128.06166	1.7
129.07005	8.9
130.07727	0.8
131.08554	24.7
133.06407	1.2
133.10118	9.9
134.09619	0.7
135.08044	1.7
135.11636	3.4
136.26901	0.7
137.09564	1.6
141.06929	2.6
142.07782	1.2
143.08545	8.7
145.06445	1.8
145.10118	13.4
147.08032	2.3
147.11670	3.8
149.09554	2.3
149.13234	1.0
151.11258	0.9
155.08578	4.9
157.10098	7.2
159.08086	1.2
159.11662	6.6
161.13222	1.7
163.11266	1.1
167.08498	2.0
169.10072	4.2
171.11661	5.6
173.09584	1.1
173.13214	2.7
175.14738	0.9
177.12808	1.1
181.10078	2.6
183.11696	3.8
185.09561	1.0
185.13208	3.6
187.14755	1.9
189.12668	1.3
191.74942	0.8
195.11604	2.4
197.13254	1.9
199.14751	2.8
201.12633	1.3
209.13268	1.8
211.14722	3.0
213.12646	2.0
213.16261	1.0
223.14734	2.9
225.16292	2.3
227.14214	0.9
227.17796	0.8
229.16002	1.0
233.15276	1.9
237.16360	1.5
241.15804	1.9
243.17558	1.2
247.16875	1.8
255.17271	1.1
261.18561	1.1
273.18622	1.5
275.20135	0.8
276.13855	0.8
297.08737	0.9
325.21332	0.9
325.25110	2.6
335.23566	4.7
343.26126	3.3
353.24762	11.5
359.03030	1.0
371.25732	12.3
389.26855	15.0
427.28336	2.6
445.29291	100.0
446.29459	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	445.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.4
57.07053	1.5
67.05487	0.7
69.07050	2.7
72.45526	0.5
81.07024	1.3
83.08595	1.9
95.08574	0.7
97.10136	0.9
98.10805	0.5
121.10141	0.6
132.92198	0.5
137.09596	1.2
149.09547	1.6
163.11177	1.0
165.07762	0.6
165.09109	11.9
191.10553	0.7
203.10587	0.6
205.12199	0.9
287.06146	0.4
322.13464	0.5
345.28152	1.0
360.14777	0.8
371.12943	0.8
372.13593	1.5
373.14346	1.8
374.15128	0.7
378.91971	0.5
384.14651	0.8
385.14661	1.3
386.15088	2.1
387.15979	5.9
388.16547	2.0
389.17505	1.0
400.12384	0.7
400.16922	1.3
401.12775	1.0
401.18036	4.4
402.18478	3.6
403.19168	2.4
414.14468	1.8
415.15100	9.4
416.14886	2.3
416.19858	2.0
417.16180	1.6
417.20532	3.2
418.21207	1.4
422.86569	0.6
427.35675	2.2
428.16412	0.6
429.16724	5.0
430.17465	12.3
431.18231	5.0
444.18808	1.5
445.19949	100.0
446.20618	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	446.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02124	0.5
53.03945	2.2
53.89587	0.5
55.01871	0.8
57.03423	2.0
61.02927	1.7
64.99960	0.4
69.03422	9.0
69.76818	3.3
71.04990	3.7
73.02914	6.5
74.06079	1.2
74.09714	1.9
81.03407	12.1
85.02898	65.0
86.09702	0.9
87.04472	0.7
97.02884	23.1
98.20695	0.6
99.04445	35.9
101.17331	0.5
103.03933	87.4
105.07036	3.1
109.02870	16.4
115.03922	0.9
127.03904	100.0
128.04218	1.1
137.02313	1.5
145.04945	68.2
147.28362	0.5
151.37895	0.7
153.01823	1.2
163.06004	69.9
164.06314	1.0
164.36545	0.5
169.05011	0.8
183.04468	0.6
187.06030	4.9
201.05450	0.7
205.07079	4.8
229.05022	1.2
253.06932	1.5
257.04468	0.8
271.05563	0.5
271.08130	10.3
279.08508	0.6
287.05606	0.6
289.09183	8.6
298.04266	1.0
303.04971	29.3
307.10196	16.4
369.09808	0.7
374.71991	0.6
411.16309	0.8
414.09024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01851	0.6
55.05500	0.8
56.96558	0.8
57.03434	1.0
61.02915	0.6
65.03921	0.6
67.05486	1.2
68.99785	1.0
69.03419	4.2
69.07032	0.6
71.01780	1.1
71.04997	2.3
72.95865	0.4
73.02905	13.0
79.05485	1.7
81.03396	4.0
81.07033	1.6
83.04967	0.9
84.08146	0.6
84.30801	0.4
85.02890	19.2
86.09684	1.5
87.04438	1.3
91.05421	1.5
91.05869	0.8
92.57999	0.5
93.03378	0.4
93.07039	1.3
95.04954	1.7
95.08604	1.0
97.02879	9.5
97.06471	0.8
98.97573	0.7
99.04443	8.4
103.03926	19.3
103.05413	0.8
105.01841	1.1
105.07012	12.5
107.04965	0.7
107.08560	1.0
109.02866	5.7
109.06516	0.7
109.10151	0.6
111.00787	0.7
111.04385	0.6
115.05436	0.6
117.06959	0.5
119.08555	1.7
121.02864	1.1
121.06518	0.8
121.10127	0.9
123.04399	0.8
123.07999	0.8
127.03894	24.5
128.06245	0.6
129.06982	0.5
130.06505	0.6
131.04933	0.7
131.08492	0.7
133.10112	1.2
134.99620	0.7
135.11693	0.4
137.02322	4.0
137.05934	0.7
137.09540	0.5
142.07506	0.4
145.04932	14.5
145.10098	0.9
147.07997	0.6
147.11661	0.8
149.05928	0.5
153.01810	4.4
157.07597	0.6
159.08060	0.7
159.11647	0.6
161.09669	0.6
163.03853	1.6
163.05989	13.2
165.01837	1.8
167.05565	0.6
167.06946	0.6
169.04893	0.7
171.11670	0.5
177.00777	0.5
181.08530	1.2
183.02869	1.3
187.05933	2.0
189.09120	0.6
201.05418	2.3
203.14349	0.8
205.05374	0.5
205.06975	2.5
207.13768	0.5
209.07957	0.5
213.09045	0.7
229.04913	5.3
231.13689	0.7
247.05858	0.7
249.14873	1.7
257.04523	3.2
267.15948	1.2
269.04227	0.6
271.08145	3.0
274.04846	0.7
285.03836	1.4
287.05472	2.4
289.09137	3.2
302.04224	0.8
303.04947	100.0
307.10123	4.8
313.10837	0.6
341.10120	0.8
360.02750	1.3
414.08948	1.3
415.10281	1.2
446.11377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65242	0.3
55.01868	0.5
55.05490	1.0
55.52303	0.3
57.03416	0.3
59.04982	0.5
61.02903	1.5
67.05479	0.6
68.99784	1.9
69.03411	0.8
69.42180	3.3
69.70551	0.3
71.04962	0.6
71.61809	0.3
72.17255	0.3
79.05477	0.4
81.03401	0.7
81.07027	0.7
83.04967	0.7
84.61800	0.3
85.02889	0.4
87.04444	0.5
91.05421	0.3
92.76012	0.3
97.02871	0.5
98.21227	1.4
105.07095	0.5
107.04918	0.4
107.08560	0.9
109.02886	0.5
111.00784	1.4
122.94813	0.4
131.04889	0.4
131.08575	0.5
133.10101	0.5
137.02254	0.7
139.15237	0.4
145.02850	0.3
145.10193	0.4
147.04379	1.0
149.02351	0.6
149.05956	0.4
151.07538	0.8
153.01820	12.1
155.04922	0.4
157.06509	0.7
159.04440	0.6
161.02269	1.0
161.06035	0.4
163.03865	1.1
165.01768	0.9
171.04379	0.7
173.05923	0.8
175.03879	2.2
177.01868	0.5
177.05411	0.6
181.01379	0.4
185.05963	1.2
187.03862	1.4
189.01813	1.0
189.05470	0.5
197.05939	0.7
199.03931	1.2
201.05447	1.0
203.03355	6.2
205.01242	0.4
207.02805	1.4
211.03947	0.7
213.01814	0.4
213.05450	2.0
215.03329	0.8
217.04953	1.5
227.03427	0.6
229.04910	3.1
230.05618	0.5
231.02791	0.8
231.06540	0.7
235.02179	0.4
237.05540	0.8
239.03381	1.4
241.04953	2.4
243.02803	3.0
245.04390	0.5
251.07143	0.4
253.04939	1.5
255.02898	4.0
257.04367	2.1
258.05234	1.8
259.05951	2.2
265.04971	0.5
267.03650	0.3
267.06519	1.9
268.03699	1.3
269.04449	4.1
270.05075	0.4
273.03873	3.3
277.04919	0.8
281.04477	1.4
283.02505	2.2
284.03104	0.6
285.03952	4.2
286.04694	4.2
287.05496	1.8
293.04526	0.5
295.05991	2.8
296.03159	4.3
297.03897	14.6
298.04532	1.0
301.03354	4.4
303.04919	1.7
305.04456	1.1
309.03802	0.8
309.07483	0.4
311.01819	1.2
311.05490	0.9
313.03397	26.1
314.04117	7.9
315.04825	2.5
319.05927	1.2
321.04199	0.4
322.04730	1.0
323.05408	2.7
325.03348	3.1
326.04114	0.8
327.04944	1.2
328.02130	0.5
329.02847	11.0
329.13602	0.6
333.03857	0.9
334.04709	0.5
337.07001	0.9
339.05035	1.0
341.02802	1.1
341.06525	9.0
343.04456	100.0
344.04877	1.7
347.05502	4.3
350.04376	0.7
351.04977	6.2
353.02872	3.6
355.04495	0.5
365.06738	1.7
367.04416	1.5
369.01880	0.4
369.05981	7.8
375.04846	0.7
383.07355	0.6
385.05542	3.4
393.06003	40.3
394.06186	0.8
411.07068	19.9
412.07437	0.4
429.08121	3.0
447.09171	31.2
447.29047	0.6
448.09412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01626	0.8
55.01869	12.0
55.05501	1.0
67.05482	2.2
68.54861	0.5
68.99779	1.1
69.03431	0.5
69.07055	1.7
71.04964	0.6
71.63498	0.8
78.71692	0.4
79.05470	1.4
81.03370	0.9
81.07030	1.9
83.04952	0.5
85.02895	0.6
87.49901	0.6
91.05442	4.1
93.07023	2.1
95.04940	1.7
95.08572	1.0
97.06518	6.7
97.10149	0.8
105.03328	0.7
105.07017	2.4
107.04964	0.6
107.08551	1.2
109.10152	0.9
111.00759	0.7
115.03990	0.5
117.06972	0.9
119.04947	0.9
119.08573	4.3
121.02900	0.8
121.10123	1.1
123.04370	1.3
125.09578	0.6
128.06169	1.2
129.06982	1.4
131.08582	1.3
133.02812	0.5
133.10120	1.6
135.08038	0.6
137.05928	1.0
139.03905	0.8
141.06996	1.0
143.10585	0.5
145.02870	0.8
145.06412	0.8
145.10106	0.8
147.04407	1.5
147.08006	2.6
147.11691	0.8
149.02364	0.8
149.05992	0.7
149.09534	0.6
151.03877	0.9
151.07576	0.5
151.88812	0.5
153.01810	19.7
157.06430	0.5
157.10118	1.0
159.08061	1.2
159.11639	0.6
161.05901	0.7
161.09599	1.0
163.03896	2.0
165.01820	2.6
171.08043	0.8
173.05911	0.7
175.07571	3.9
179.03389	8.8
187.07646	2.4
189.09128	1.0
191.03371	2.1
193.01331	1.2
193.04985	0.6
195.02870	2.0
197.06027	1.1
199.07509	0.8
205.04977	0.7
205.08609	0.7
207.02887	10.7
215.07045	1.8
217.04918	1.0
217.08577	5.0
219.02866	0.8
221.04419	1.2
229.04988	1.2
231.02919	0.6
233.04541	0.7
233.08026	0.9
235.02374	1.7
237.05426	0.6
241.04996	0.9
242.05690	0.9
243.06535	3.0
245.04498	1.8
247.02278	0.5
250.05894	0.6
253.05075	1.4
255.06577	0.6
256.07291	2.3
257.04425	1.6
259.05930	1.0
266.05728	0.9
267.06546	1.1
269.04471	1.9
270.05215	1.2
271.05988	6.9
271.08957	1.0
273.03949	2.4
273.06958	0.5
277.08380	0.9
279.06628	0.7
280.07114	1.2
281.04449	2.5
281.07788	0.8
282.05200	7.8
283.06018	3.3
284.06738	1.9
285.04160	1.0
285.07553	1.5
285.11121	3.0
287.05475	0.8
294.05200	1.2
295.06012	5.2
295.09634	2.1
296.06821	4.3
297.04245	2.6
297.07474	1.4
297.11200	1.4
298.04703	1.1
299.05563	11.4
299.09088	2.3
300.05765	0.7
301.03586	2.4
301.10712	2.9
303.05026	0.6
305.08200	0.7
308.06744	1.0
309.04065	0.9
311.05737	1.0
313.10654	42.6
314.11057	1.8
315.04999	0.7
315.12375	0.7
319.04495	2.0
323.09113	5.4
325.03348	1.1
325.06808	1.3
325.10669	25.7
326.03946	1.2
327.04941	2.2
327.08658	1.2
341.10178	26.5
342.10489	0.7
343.04254	0.9
343.11630	4.3
351.08609	2.6
353.10516	0.7
354.03595	1.8
369.09650	36.1
370.09991	1.5
371.07458	0.7
371.11282	8.7
372.11633	0.6
373.12711	0.6
397.09158	23.3
398.09476	1.1
401.12329	0.7
415.10193	100.0
416.10452	4.0
429.11758	5.5
429.18332	0.8
447.12772	5.9
447.18021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2223
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03933	5.1
55.01861	6.1
55.05257	1.2
55.05501	17.4
56.96549	1.3
57.03429	32.6
57.39848	1.1
58.80848	1.2
59.04988	2.7
61.02919	67.2
65.03925	1.3
67.05492	32.0
69.03068	1.8
69.03422	33.5
69.07066	8.4
71.01334	4.0
71.04981	9.5
71.63799	1.8
73.02906	31.9
73.52559	1.1
73.53014	1.2
75.04481	1.9
79.05484	37.1
81.03409	89.1
81.07049	38.9
83.01324	1.3
83.04974	18.5
83.08610	28.0
85.02895	85.3
85.06549	1.6
86.09667	3.3
87.04440	4.3
89.39230	1.2
91.03944	37.2
91.05463	51.0
93.07036	22.3
95.04351	1.8
95.04958	33.8
95.08591	14.4
97.02879	58.8
97.06538	5.3
97.10151	3.1
99.04428	10.9
99.08106	1.4
101.02362	13.2
103.03920	6.4
105.07017	35.6
107.04944	11.4
107.08583	11.6
109.02863	16.4
109.06497	8.4
109.10130	4.6
111.04447	6.0
111.08069	13.0
113.05972	3.0
113.36482	1.0
115.03933	4.1
115.05428	2.4
117.05457	1.9
117.06992	3.9
119.04916	1.7
119.08573	27.1
121.06483	2.3
121.10129	10.7
123.04399	2.0
123.08023	3.5
123.11677	2.0
125.05959	1.6
127.03900	26.3
127.07544	1.1
129.05458	4.1
129.06982	18.8
131.08559	16.0
133.06479	3.7
133.10115	24.5
135.08099	1.4
137.02371	1.6
137.09543	2.0
139.03809	1.8
142.07742	4.5
145.04955	7.5
145.10080	4.5
147.08031	4.5
147.11673	24.8
149.09592	7.6
157.10110	28.2
159.06520	2.1
159.11690	1.4
163.11200	3.1
165.05487	1.9
165.12807	6.1
169.04922	3.8
171.06570	1.1
171.11679	1.7
175.11156	26.3
178.03114	1.6
180.07266	2.2
183.06525	7.1
185.13228	1.4
193.12221	96.4
194.12547	1.4
199.14838	2.0
201.07523	4.4
211.13261	100.0
212.13614	1.6
229.14372	1.4
235.13367	1.8
249.14803	2.5
252.09352	9.4
252.59506	6.0
253.09673	1.5
267.15894	19.6
285.16934	94.0
286.17264	1.8
303.04910	7.8
309.16611	1.5
313.16464	3.6
375.18250	1.3
393.19055	2.9
411.20108	3.3
416.12537	1.4
429.21088	7.5
447.22247	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	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01865	11.2
55.05504	31.6
57.03428	40.6
57.07068	10.4
67.05497	18.4
68.11572	1.1
69.07059	31.6
70.89385	2.3
71.04970	1.3
71.08635	5.5
72.41074	1.0
79.05482	13.1
81.07047	23.1
83.04971	1.5
83.08611	23.6
85.10157	1.8
86.43136	1.1
90.84452	0.9
91.05466	4.5
93.07030	15.8
95.04942	1.4
95.08600	19.5
97.06525	2.7
97.10161	13.1
98.98452	47.9
105.07033	3.9
107.08565	7.1
109.10119	6.5
111.07994	1.1
111.11709	3.0
113.00006	23.1
117.07063	1.4
119.08577	3.0
121.10143	8.3
123.11676	3.4
129.05472	1.6
130.65428	1.2
131.08572	2.2
133.10109	2.3
135.11688	5.8
136.99968	53.5
145.10127	1.1
147.11703	1.2
149.13255	3.9
155.01016	39.0
159.11688	1.6
169.02556	7.5
187.03653	3.1
193.02603	8.4
211.03668	4.7
219.21022	1.5
237.22083	9.0
243.20979	1.9
261.21973	5.1
293.24667	1.6
311.25757	41.4
312.26044	1.5
317.24570	2.8
335.25760	35.6
447.25024	100.0
448.25308	4.7
450.46121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01874	13.2
55.05508	35.9
57.03432	44.8
57.06811	1.2
57.07070	13.4
57.30716	0.9
65.03928	1.0
67.05159	1.5
67.05498	18.8
69.07061	36.3
70.99918	2.3
71.04979	1.4
71.08612	6.1
79.05479	9.9
81.07051	21.1
83.04971	1.5
83.08614	27.2
84.05328	0.9
85.10183	1.3
91.05455	3.9
93.07029	13.0
95.05006	1.0
95.08601	16.5
96.69809	0.9
97.06531	3.1
97.10169	15.0
98.98460	61.8
105.07004	3.4
107.08614	7.4
109.10149	8.1
111.08071	1.3
111.11694	3.6
113.00008	18.0
116.99480	2.1
117.06965	1.0
119.08561	2.7
121.10127	8.5
123.11680	2.5
129.05507	1.3
131.08543	2.3
133.10121	1.2
135.11682	6.1
136.99983	56.2
137.13232	1.7
145.10089	1.5
147.11662	1.5
149.13228	2.2
155.01027	45.3
161.13277	1.2
163.14793	1.6
169.02591	5.1
173.13243	1.1
178.02676	2.0
187.03618	1.6
193.02597	9.7
203.17862	0.9
211.03633	8.3
212.00461	1.0
219.21230	1.0
237.22145	10.3
238.22581	0.9
243.21126	2.1
261.22116	4.0
265.04715	1.2
293.24731	1.8
311.25784	46.8
317.24698	2.1
335.25790	24.5
336.26404	1.3
447.25031	100.0
448.25287	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	447.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03705	1.0
53.03938	3.4
55.01868	6.3
55.05256	1.8
55.05505	21.2
57.03202	1.0
57.03435	8.7
57.07059	2.0
59.04950	0.9
65.03924	1.7
67.05498	42.9
69.03418	3.4
69.07066	13.9
69.47404	8.9
69.53751	0.8
71.01332	2.0
71.04970	3.1
79.05487	41.8
81.03411	38.4
81.03899	2.0
81.07049	35.1
82.07347	1.3
83.04976	12.1
83.08607	12.8
85.02885	2.3
85.06520	2.8
86.09682	1.4
90.41098	0.9
91.05459	34.5
93.07034	38.5
95.04347	1.7
95.04957	27.1
95.08598	17.4
97.02863	2.2
97.06522	5.4
97.10155	11.4
98.21198	3.6
98.97446	0.9
98.98460	4.7
99.04448	1.8
99.08099	1.4
103.05477	1.6
105.03367	1.0
105.06298	1.4
105.07018	26.3
107.04938	8.9
107.08589	27.5
109.06498	6.0
109.10150	7.0
111.04426	3.0
111.08075	4.4
115.05392	1.3
117.07001	10.6
119.04954	1.9
119.08560	15.8
121.06490	11.1
121.10133	10.7
123.04456	1.3
123.08080	4.6
123.11691	2.1
125.09623	6.5
128.06187	1.9
129.06981	11.0
131.04880	2.6
131.08554	15.3
133.06465	6.2
133.10114	11.5
135.08069	4.5
135.11682	22.5
137.09604	3.7
141.01761	0.9
141.06966	3.5
142.07729	2.4
143.08545	8.2
145.06502	5.6
145.10112	12.7
147.08015	5.6
147.11699	9.9
149.02316	2.8
149.05998	1.1
149.09618	6.6
149.13191	2.2
151.11137	2.1
153.06970	0.9
153.09052	1.6
155.08539	3.0
157.06503	1.8
157.10117	10.3
159.08038	2.8
159.11679	7.2
161.09599	3.0
161.13206	2.1
163.03880	2.0
163.11188	8.8
163.16716	1.0
165.05399	1.0
167.08531	2.5
169.10114	4.2
171.07996	1.4
171.11661	2.8
173.09554	2.5
173.11919	1.1
173.13255	4.3
175.11154	9.0
175.14850	1.3
177.12753	2.7
181.10194	1.8
181.12189	4.5
183.11688	2.4
185.13177	5.6
187.11209	3.9
187.14758	1.4
189.09116	1.3
189.11186	3.3
191.14232	1.6
193.12225	17.0
193.13870	1.8
195.11671	1.4
197.13278	1.7
199.11101	1.3
201.12762	2.8
201.16399	1.5
203.14360	5.4
205.12222	2.1
207.13815	2.2
211.11246	2.0
213.12764	2.6
213.16383	1.2
215.14305	1.8
219.13832	1.7
225.12801	2.3
227.12729	2.2
229.12291	1.1
231.13771	2.2
233.15167	1.1
233.53893	1.1
243.13770	1.6
249.14900	3.0
257.15460	1.4
257.18948	3.1
259.16968	1.7
267.15948	1.3
269.10541	1.7
275.20013	20.1
287.11511	1.4
293.21036	5.1
309.21942	1.4
311.20047	1.5
327.23087	1.7
329.21143	4.3
337.21570	5.7
347.21970	1.4
349.23703	29.4
350.24014	2.5
355.22552	13.3
373.23669	8.0
391.24731	1.5
393.23926	1.1
397.85785	1.1
403.24680	6.3
411.25153	1.7
429.20847	2.1
429.26141	13.9
447.27362	100.0
448.27759	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	448.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01846	0.6
57.03429	4.3
61.02920	0.7
65.19039	0.4
69.03407	3.1
69.89117	2.7
71.04980	32.4
72.06617	0.4
73.02894	1.2
75.04462	2.1
79.14520	0.4
83.04972	3.4
85.02888	49.5
87.04434	1.2
91.03915	0.6
91.05459	1.0
95.04985	0.6
97.02875	1.7
98.49641	0.4
99.04424	1.0
100.44080	0.4
103.03912	0.6
105.07000	1.7
109.02876	0.9
111.04432	3.0
119.08566	1.0
127.03869	2.4
129.05452	22.3
133.06403	0.5
137.02278	0.8
137.05937	0.8
145.04935	3.5
146.08159	0.6
147.06487	13.6
147.07674	0.7
149.02319	0.9
150.03064	0.7
153.01816	2.5
159.70703	0.4
163.05984	1.2
164.09169	3.8
165.01765	1.2
201.05409	1.6
225.07687	0.6
229.04903	2.9
255.08725	1.1
257.04395	4.1
273.09595	0.9
287.05460	1.3
302.04010	1.0
303.04941	100.0
304.05267	0.5
309.11780	1.1
331.04352	0.9
332.04678	2.4
343.04630	0.5
344.04782	1.1
378.48526	0.5
386.05853	1.4
412.07281	0.7
430.08353	1.9
448.09317	2.8
449.09363	0.5
449.19562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85364	3.2
55.05496	17.1
56.05037	15.3
56.96535	3.8
57.03413	6.2
57.07052	4.4
58.06580	13.2
60.04507	3.6
61.02905	5.2
62.06057	3.1
67.05482	9.2
67.09478	2.8
69.03420	25.5
69.07047	6.8
70.06562	8.9
71.01350	3.6
71.04974	9.5
71.60999	5.6
73.02908	3.7
74.06067	7.4
79.05473	10.7
81.03401	8.8
81.07034	14.1
82.06557	10.2
83.04948	7.4
83.08603	10.9
84.04498	8.8
84.08129	8.2
85.02420	4.0
85.02896	39.6
85.06551	3.2
86.06050	4.5
86.09681	10.5
87.04460	5.1
91.05460	11.0
93.07027	15.7
95.04946	10.3
95.08577	8.8
96.08096	3.5
97.02872	18.8
97.06497	7.3
98.06007	5.5
98.09680	8.4
98.97555	3.5
99.04430	10.4
100.07616	7.6
105.06999	9.4
107.08570	27.9
108.08107	9.2
109.06490	17.5
109.10132	14.1
110.06026	8.2
110.09653	6.4
111.08053	5.8
113.06059	4.3
115.03924	4.3
116.98624	3.8
119.08553	12.9
121.06464	4.2
121.10128	20.6
122.09691	5.2
123.04412	5.9
123.08038	8.4
123.11683	7.5
124.07555	5.1
124.11179	5.0
125.09605	13.3
126.05500	7.1
126.09128	7.2
127.03913	11.4
131.08534	9.7
133.10121	13.0
135.08052	7.3
136.07552	3.6
137.05942	4.5
139.03946	4.6
142.08598	8.5
145.04955	5.8
145.10088	7.4
147.11636	7.3
149.09587	9.0
151.07503	3.6
151.11168	10.2
153.08997	3.6
154.08641	34.8
157.07639	4.5
159.11649	6.6
161.13185	5.1
163.03818	8.3
164.14331	4.0
165.12714	3.2
167.10718	5.3
167.14291	8.4
171.11707	3.0
173.13210	4.4
174.12776	3.0
175.11183	4.5
178.03307	5.1
181.12259	3.8
186.07550	8.9
187.08586	5.5
189.08759	2.9
189.12807	3.5
191.14407	3.4
192.13754	3.6
193.12206	7.7
204.08594	26.2
207.13757	11.0
209.15338	20.9
211.13313	3.6
215.14058	3.8
222.09654	19.6
225.14832	12.2
232.16956	7.2
233.15294	5.8
245.10516	5.0
250.18013	55.4
251.16432	16.0
268.19049	75.1
286.07263	3.2
286.20010	11.3
287.05447	41.1
303.04919	7.4
430.24625	22.3
448.19086	10.9
448.25421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0863
Annotation	XL147
Peak:m/z	Relative Intensity
53.03917	0.3
57.03404	1.1
67.05470	0.9
68.99772	0.6
69.03405	0.6
69.07042	0.6
69.44683	2.8
71.04980	6.0
73.02872	0.5
74.49200	0.3
77.03914	0.4
79.05466	0.5
79.56325	0.3
81.03397	0.5
81.07047	1.4
83.04956	0.4
85.02889	6.9
85.06509	0.3
91.05463	1.5
93.06996	1.0
95.04927	0.8
95.08578	0.7
97.02904	0.3
97.06503	0.3
99.08064	0.4
105.07011	1.4
107.08540	1.1
109.06523	0.3
109.10117	0.6
111.00758	0.3
117.06974	0.3
118.12702	0.3
119.04957	1.5
119.08540	1.2
121.02758	0.3
121.10098	0.8
122.82212	0.3
123.04404	9.6
123.08079	0.4
125.09632	0.3
128.06195	0.3
129.05450	1.4
129.06923	0.5
131.08513	0.9
133.10106	0.7
135.11641	0.5
137.02307	1.1
137.05925	0.3
142.07610	0.4
143.08533	0.7
145.10133	1.6
147.04411	2.8
147.11598	0.6
149.13243	0.5
153.01784	1.3
156.09251	0.3
157.10089	0.7
159.11635	1.0
162.01900	0.3
163.03932	0.3
165.01817	0.4
171.04359	0.5
171.11659	0.7
173.05994	0.5
173.13188	0.9
175.14761	0.4
185.05939	0.7
185.13248	0.8
187.11044	0.3
187.14836	1.4
191.14232	0.4
194.21234	0.3
195.04361	0.7
197.06064	0.4
199.14725	0.7
201.05316	0.4
213.05443	8.4
213.16434	0.3
223.03824	1.4
225.05377	0.4
227.03334	0.8
229.04861	0.9
233.15491	0.3
241.04945	5.6
242.05650	0.5
253.05034	0.5
255.06451	0.4
257.04538	0.9
266.53653	0.3
269.04422	13.6
269.12833	1.1
270.05185	1.7
281.04373	0.7
283.05792	0.3
285.03940	2.4
285.10165	0.3
287.05499	3.8
287.13818	1.1
293.04315	0.7
297.03894	100.0
298.04437	5.7
303.04941	22.9
304.05322	0.5
309.03876	1.1
311.05478	4.0
319.09540	0.3
327.01172	0.3
327.04941	6.0
339.04883	1.5
345.05795	0.3
403.29855	0.6
431.07681	0.3
431.29599	0.4
449.08606	64.6
449.30521	1.6
450.08884	2.4
451.18903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.3
55.01860	0.5
57.03433	0.7
61.02918	1.5
67.01866	0.1
68.99465	0.1
68.99783	0.5
69.03065	0.2
69.03419	3.1
71.04977	0.3
71.16518	0.1
73.02910	0.6
73.03243	0.1
81.03402	1.3
82.03607	0.1
85.02894	9.4
87.02402	0.1
87.04446	0.2
91.03951	0.7
97.02877	3.1
98.21001	0.1
99.04450	0.5
105.03387	0.3
107.04928	0.3
109.02840	1.0
111.00802	0.7
121.02840	2.5
127.03902	1.8
129.07013	0.2
133.02846	0.4
135.04402	0.1
137.02301	0.9
141.07027	0.1
145.04938	1.8
145.06253	0.1
145.06522	0.1
146.68112	0.1
147.04401	0.5
151.47348	0.1
153.01807	3.6
155.89134	0.1
157.06490	0.4
165.01807	1.6
171.04359	0.2
175.03932	0.1
183.02838	0.9
185.05936	0.5
194.02017	0.1
197.05942	0.1
203.06976	0.2
213.05479	1.2
215.70859	0.1
229.04944	0.1
231.06485	0.7
241.04935	0.8
243.06630	0.2
258.05209	1.2
259.05994	0.6
269.04202	0.2
287.05450	100.0
288.05783	2.6
299.05423	0.2
329.06485	0.3
430.02472	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	449.1072
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03426	4.5
59.04986	0.5
70.27081	0.5
70.79257	1.1
70.79591	0.5
71.04987	33.5
75.04477	1.2
75.14075	0.5
80.78134	0.5
83.04993	1.0
85.02898	29.6
87.04442	0.8
102.24790	0.5
111.00779	1.1
111.04430	0.9
113.06139	0.5
121.02843	1.0
123.04534	0.5
129.05476	5.8
137.02342	3.4
147.06491	0.9
153.01830	4.5
163.03932	0.7
165.01839	1.8
182.17993	0.5
183.02881	0.9
201.05475	2.0
229.04962	4.2
247.06001	1.0
257.04327	3.4
274.04639	0.9
285.04025	1.4
287.05603	1.0
303.04968	100.0
304.05307	2.2
315.04990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.47766	0.1
51.63498	0.0
52.43713	0.1
60.04510	0.1
65.03937	0.1
67.01847	0.1
67.05521	0.1
68.99780	0.6
69.03410	0.1
69.63161	0.1
69.63564	0.4
70.06577	0.1
71.04980	0.1
79.05470	0.1
80.66164	0.1
81.03398	0.1
85.02901	0.3
86.09705	0.1
91.05425	0.1
95.04961	0.2
97.02834	0.1
97.06500	0.0
98.20878	0.1
98.21483	0.1
99.67158	0.1
103.05463	0.1
105.03376	0.4
107.04939	0.5
109.02865	0.2
111.00789	0.7
111.04419	0.2
115.05519	0.1
117.07017	0.0
121.02853	2.8
121.06438	0.1
125.61893	0.1
127.03899	0.1
129.07031	0.1
133.02832	0.5
135.04393	0.2
135.08035	0.1
137.02315	0.8
138.15109	0.1
141.06885	0.1
145.06464	0.2
147.04379	0.5
149.09607	0.1
153.01810	3.7
157.06461	0.4
157.10217	0.1
161.05974	0.2
163.07553	0.2
165.01819	1.7
167.07036	0.4
169.06418	0.1
171.02919	0.1
171.04413	0.3
175.03894	0.1
183.02866	1.1
185.05905	0.5
189.05458	0.2
194.02153	0.1
195.10132	0.1
197.06003	0.1
199.03873	0.1
203.07001	0.1
213.05438	1.3
213.07440	0.1
213.11186	0.4
215.07233	0.1
217.04961	0.1
229.04892	0.1
231.06514	0.7
241.04893	0.9
243.06609	0.1
257.04504	0.1
258.05246	1.2
259.06042	0.4
269.04465	0.2
270.04901	0.1
286.04404	0.1
287.05453	100.0
288.05795	2.4
288.09119	0.1
299.06006	0.1
303.04889	0.6
446.39917	0.1
449.10730	1.0
449.16498	0.1
449.25259	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	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05501	0.5
57.03430	3.2
68.99772	0.9
69.03421	0.8
71.04984	26.9
71.08083	1.2
73.02949	0.5
75.04462	1.1
81.03434	0.7
83.04955	0.8
85.02895	24.8
87.04465	0.9
93.03369	0.5
93.07024	0.4
95.04956	0.6
97.02882	0.6
105.07079	0.5
105.18587	0.4
109.02911	0.6
111.00796	0.9
111.04454	0.7
119.08534	0.5
121.02848	0.8
125.41425	0.5
129.05464	6.3
137.02338	3.3
147.06464	0.8
149.02303	0.7
150.46716	0.5
153.01817	3.3
161.05949	0.7
165.01823	2.0
166.02640	0.5
183.02820	0.7
183.04352	0.5
198.01920	0.4
201.05415	1.3
228.04143	0.4
229.04979	4.6
247.05969	0.7
257.04480	1.6
285.03922	1.7
287.05515	3.3
303.04959	100.0
303.85019	0.5
304.05276	2.4
315.04990	0.5
317.06845	0.6
345.05954	1.0
449.10571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01856	2.0
57.03432	4.0
61.02913	6.3
65.03925	1.8
69.03429	11.1
69.33766	0.6
69.75859	4.3
71.04980	1.2
73.02900	2.3
81.03410	4.5
85.02896	62.9
87.04450	1.9
88.44652	0.7
90.23514	0.6
91.03960	3.2
91.05472	100.0
97.02884	34.3
98.20657	0.7
99.04454	2.8
103.03935	0.8
105.07018	1.1
109.02860	5.0
115.03889	4.3
115.13896	0.6
117.07002	0.8
119.04887	0.8
124.07602	1.0
127.03907	16.9
129.07021	1.2
133.06480	1.6
135.04402	0.8
141.94470	0.7
145.04944	30.2
145.06215	1.0
147.04430	1.8
149.05885	0.7
156.10236	0.9
157.06483	1.5
161.04469	3.8
161.05737	0.9
163.03908	1.2
163.06003	14.5
163.07367	0.9
171.08073	1.5
189.09091	1.1
207.10240	0.8
217.08537	4.5
218.28844	0.7
232.58609	0.7
235.09660	2.6
253.10782	3.3
271.11713	1.4
288.05856	1.9
288.14297	0.8
325.11365	2.0
349.69177	0.6
426.93365	0.8
453.45038	0.7
472.97641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01864	4.9
55.05495	4.7
55.66209	1.6
57.03424	6.4
58.03756	1.9
59.05008	1.9
61.02909	6.8
65.03924	2.6
67.05492	11.3
69.03430	12.5
69.07051	6.8
70.06580	5.7
71.04986	38.4
71.61198	3.0
72.05312	6.9
73.02905	3.9
75.05186	1.3
79.05489	17.2
81.03406	5.7
81.07047	31.5
83.04963	6.4
83.08624	2.9
83.93058	1.5
84.08121	2.1
85.02898	57.5
85.06528	4.9
86.03220	6.9
86.09690	7.9
87.04456	3.6
91.05474	19.4
93.07038	40.6
95.04951	12.5
95.08595	30.0
97.02890	9.6
97.06528	10.3
99.04443	13.1
101.06034	2.5
105.07023	25.8
107.04919	8.9
107.08586	26.4
108.04455	5.5
108.08891	1.6
109.02868	4.6
109.06499	17.5
109.10173	8.6
110.05997	1.7
111.00696	1.9
111.04414	4.4
111.08078	5.1
113.05985	3.6
117.07009	5.0
117.38083	1.6
119.04942	4.1
119.08577	27.0
120.04453	22.3
120.08112	2.2
121.06490	44.0
121.10120	12.1
122.06001	6.3
123.04401	13.1
123.08037	4.7
123.11689	4.7
124.04728	3.6
124.99995	3.6
125.05949	5.9
125.63313	1.8
127.03915	8.4
127.07542	10.5
129.05463	6.1
129.06993	3.9
130.05782	3.2
131.04926	3.9
131.08530	10.3
132.04436	2.1
133.05238	1.8
133.06442	3.6
133.10144	14.7
134.06027	11.2
135.04398	5.2
135.08038	13.1
135.11710	2.9
136.07494	2.0
137.02356	3.8
137.05957	26.1
137.09627	3.1
139.03886	5.2
139.07553	14.1
141.06998	1.9
142.07750	4.4
143.07001	2.0
143.08525	11.0
145.04964	4.5
145.06459	1.8
145.10112	15.5
146.06003	10.7
147.04376	10.5
147.07993	8.0
147.11671	31.8
149.09604	3.6
149.13217	4.9
151.07541	3.0
153.01790	9.0
153.06944	2.3
153.09087	2.4
154.02249	1.9
156.09293	3.6
157.06644	1.7
157.08604	5.4
157.10110	17.6
159.08028	3.6
159.11658	7.0
161.06006	3.3
161.09607	6.7
161.13229	9.9
163.03882	5.5
163.07556	3.2
163.14763	2.7
164.07079	11.5
165.01831	3.6
165.12762	13.4
169.01300	2.0
169.10135	2.2
171.11664	18.7
173.09598	5.6
173.13240	6.3
175.11176	17.7
175.14830	4.3
177.12701	3.6
179.14378	2.0
181.10062	4.5
183.11696	4.5
184.07330	21.3
184.08803	3.1
185.13252	5.0
187.11076	1.9
187.14787	4.6
189.12733	21.5
190.13115	2.0
191.14304	4.9
193.12273	13.0
199.11134	16.8
199.14873	4.0
201.05429	3.5
201.12776	5.5
205.12276	1.9
207.13745	17.8
209.13397	2.2
209.15228	8.3
211.11424	1.8
211.13179	8.0
215.14296	12.9
217.12234	46.4
217.15556	2.5
229.04947	5.1
229.14365	4.0
230.05330	4.1
231.06543	3.4
235.13264	100.0
238.08659	5.5
253.14326	87.8
253.17909	4.4
257.04419	2.0
257.10519	2.9
258.11267	8.4
270.11249	11.3
271.15536	3.8
272.12747	1.8
287.05460	8.4
288.05820	18.1
288.12277	70.9
289.06671	2.4
289.12680	3.2
299.05331	2.3
303.04944	38.6
304.05301	92.6
305.05405	7.4
306.05774	7.8
352.39346	2.0
355.04547	2.8
356.04727	6.3
376.09326	1.9
404.30209	3.2
405.27805	4.7
450.09158	3.8
450.16037	1.8
450.30905	4.4
451.06375	4.7
451.28162	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	451.0865
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
57.03427	6.3
57.81100	0.6
61.02902	2.3
68.00967	0.5
68.99780	0.9
69.03385	0.5
69.49535	1.9
69.49958	3.8
71.30753	0.6
73.02910	14.5
74.35904	0.8
75.05508	0.5
76.02184	0.9
85.02881	1.7
91.05433	0.8
93.07050	1.0
97.02892	0.6
105.07014	1.6
109.02844	1.6
111.00782	2.6
115.03909	1.3
119.08562	1.6
121.06487	1.3
121.10159	0.6
127.03919	0.7
133.10080	0.5
137.02296	2.3
137.05981	1.3
141.06973	0.7
145.10045	0.7
147.11719	0.7
148.98349	0.6
153.01804	17.7
159.11642	1.6
161.09521	0.8
162.02226	1.0
163.03769	0.9
165.01808	2.8
166.02478	0.7
175.03799	0.8
177.05476	0.8
179.03355	1.3
179.04831	1.1
183.02818	0.8
189.05443	1.0
189.12756	1.7
215.14357	1.2
217.04948	3.2
221.04573	0.6
227.03317	0.8
245.04431	5.3
263.05505	0.7
271.05914	1.2
273.03836	4.3
273.06671	0.6
289.06949	0.8
289.15317	0.8
290.04321	1.2
319.04443	100.0
320.04749	3.1
451.28369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97015	0.5
57.03437	6.4
60.52800	0.5
61.02911	1.9
61.18155	0.6
68.99773	0.8
69.03423	0.8
69.07033	0.6
70.06575	0.7
71.32806	0.6
71.39056	0.9
71.39401	0.9
73.02909	13.6
76.02208	2.2
79.94161	0.5
81.07039	1.2
85.02902	1.4
86.09712	0.6
91.05478	1.0
95.05008	0.7
95.08569	0.7
97.02876	0.8
105.07035	1.3
107.08569	1.2
109.02859	1.2
109.42987	0.6
111.00775	2.0
115.03894	1.2
119.08561	1.7
121.06508	0.7
121.10110	0.7
123.04400	1.0
127.03929	0.8
129.06931	0.6
133.10205	0.7
137.02327	2.7
139.03954	0.6
145.10110	1.2
147.04298	0.7
147.08000	0.8
153.01819	24.2
157.10202	0.7
159.11716	0.6
161.07074	0.6
162.02202	1.9
165.01817	2.8
175.04028	0.6
179.03487	1.2
179.04837	2.4
183.03015	1.2
189.05435	0.7
189.12692	2.1
201.12572	1.0
203.03271	0.7
215.14311	1.2
217.04947	3.8
233.20912	0.6
245.04457	4.1
255.02872	1.0
271.06021	0.8
273.04004	4.3
273.06882	0.9
289.07083	1.5
289.15280	0.8
301.03503	1.5
319.04462	100.0
320.04669	2.1
451.28342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1232
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
51.47045	0.3
53.03928	0.7
55.01862	0.4
55.05502	0.6
57.03430	0.7
65.03929	0.5
67.01854	1.3
67.05502	1.2
68.99776	0.9
69.03416	2.4
69.07065	0.7
70.06576	0.7
71.01841	0.9
71.04979	1.0
79.05460	0.9
81.03417	3.0
81.07026	1.5
83.04964	0.8
83.08603	0.4
85.02888	3.0
86.09700	1.0
89.03905	1.5
91.05483	1.1
93.03363	0.3
93.07014	0.9
95.04967	0.8
95.08596	1.3
97.02873	1.6
97.06537	0.6
99.04437	1.6
103.03973	0.6
105.06997	1.3
107.04936	0.9
107.08575	1.3
109.02859	1.6
111.00835	2.2
111.04433	1.5
117.03376	2.7
119.08573	1.2
120.08089	0.6
121.06454	0.6
121.10089	0.4
123.04413	3.8
127.03881	1.1
128.08101	0.4
129.06992	0.5
131.04950	0.4
131.08537	1.2
133.10118	0.8
135.04395	7.7
137.02310	0.4
137.05954	1.7
137.09624	0.4
139.03857	1.8
145.02838	6.7
145.04932	0.6
145.10091	1.1
147.04440	0.7
147.09126	0.6
147.11703	0.8
151.03891	1.4
153.01813	53.2
155.08514	0.5
157.10049	0.6
159.04338	0.6
159.11618	0.8
161.05972	1.0
161.09615	0.7
161.13280	0.3
163.03893	42.8
165.01834	1.1
165.12769	0.6
167.07159	0.4
171.02863	7.5
171.04242	0.7
171.11743	0.6
173.07103	0.6
173.13307	0.5
175.08711	1.0
177.05453	0.6
179.03386	4.5
183.02861	1.4
183.11827	0.4
184.07384	0.9
185.07581	0.6
185.13200	0.4
187.03937	1.6
189.12799	0.5
191.03368	0.8
191.08153	7.5
191.17897	0.5
195.02850	3.4
205.04973	1.3
219.02879	1.2
229.15265	0.6
231.02861	0.8
231.06493	0.7
247.05981	0.7
249.04024	0.6
253.04932	0.9
261.03903	0.9
271.05969	1.6
271.10666	0.9
279.04990	0.4
287.05460	1.7
288.05893	1.5
289.07037	100.0
290.07416	1.7
301.07080	1.7
301.11923	0.5
307.12759	2.4
313.07217	0.8
319.04547	2.3
325.14020	1.3
329.06570	0.5
331.08188	0.7
331.12994	0.8
342.40384	0.4
349.14240	0.5
352.53873	0.5
355.08182	1.1
367.08316	0.7
415.10022	0.5
415.14944	0.7
433.16171	0.5
451.17041	2.3
451.28180	1.5
451.32736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1233
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03928	1.3
55.01870	2.7
56.10748	1.3
56.96572	1.4
57.03421	3.2
61.02916	1.9
67.05483	3.1
68.99780	3.9
69.03423	8.9
69.07090	1.3
69.81470	7.3
70.06577	3.6
71.04987	2.5
72.08151	2.1
73.02901	2.4
78.84003	1.3
79.05470	3.4
81.03408	4.0
84.08134	2.0
85.02899	25.0
86.09698	3.6
87.04465	2.4
91.03938	1.8
91.05454	3.7
93.07014	1.6
95.04982	2.5
95.08616	1.7
97.02885	7.8
98.97594	2.3
99.04442	2.3
103.03909	1.7
103.05465	2.1
107.04948	59.2
107.08589	2.7
109.02843	2.8
111.04428	5.3
116.98590	1.5
119.04958	3.1
119.08555	2.9
121.02862	9.7
121.06467	1.7
121.10069	1.4
122.03696	1.3
123.04387	8.8
127.03905	9.6
131.04886	2.4
131.08539	2.5
135.04405	7.9
137.02338	2.6
137.05949	7.0
139.03922	7.3
140.07031	2.0
141.07011	1.7
144.04762	5.7
145.04991	7.2
145.06371	2.1
145.10121	2.0
147.04376	7.4
147.07991	2.4
149.02330	68.2
151.03871	4.0
153.01817	100.0
159.04430	1.6
159.11658	1.6
161.05983	2.7
163.03940	6.7
163.05983	1.7
165.01854	2.7
167.03363	9.0
167.07025	1.5
169.06491	5.8
171.02930	3.4
173.13268	1.7
175.11119	1.6
177.01901	2.8
177.05458	2.0
179.03384	2.8
182.08199	3.9
183.02850	3.8
183.08115	1.6
184.07356	3.2
187.07549	2.9
189.12796	2.4
191.03357	2.0
195.02913	17.9
196.67039	1.4
197.06006	5.4
201.05515	2.0
203.03424	2.1
206.08197	2.4
215.07004	59.8
225.05342	1.4
239.06886	1.6
242.05756	2.2
243.04044	3.4
243.06509	55.2
249.03857	2.6
255.06390	2.9
258.05887	2.1
261.04037	1.6
271.06000	29.8
271.14346	2.4
283.05911	1.5
285.07568	3.8
289.07040	86.6
289.15604	2.5
301.07123	4.5
302.12399	1.9
309.07700	1.8
313.07043	2.9
325.03333	1.8
355.08035	1.9
433.10876	2.2
451.11603	2.7
451.15689	1.4
451.21283	3.6
451.27945	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99608	0.1
53.03941	0.4
55.01860	0.4
56.96564	0.4
57.03413	0.6
60.10167	0.2
61.02916	1.1
61.86074	0.2
65.07976	0.1
69.02125	0.1
69.03419	2.0
70.06573	0.3
71.01345	0.2
71.03622	0.4
71.04970	0.3
73.02896	0.5
77.10499	0.1
80.87333	0.2
81.03420	1.0
83.01319	0.2
85.02892	8.1
87.04472	0.2
91.03915	0.4
97.02879	2.9
98.97549	0.3
99.04430	0.2
109.02874	1.4
116.98589	0.4
118.82871	0.2
119.04902	0.3
123.04411	0.3
124.10850	0.2
127.03897	100.0
128.04230	1.4
134.99635	0.3
139.03880	0.4
143.01738	0.1
145.04916	1.9
147.04388	0.7
151.03815	0.2
163.03903	0.5
163.06000	0.3
177.00697	0.3
237.02823	0.4
263.07901	0.2
289.09106	3.2
299.05103	0.2
324.87631	0.2
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
54.43711	0.4
55.05495	0.5
57.03433	0.5
67.05482	1.7
69.03416	1.2
69.07066	0.7
70.06595	0.5
71.04987	2.2
71.61572	0.7
73.02905	0.5
78.77963	0.4
79.05479	1.2
81.03413	0.8
81.07033	2.4
85.02883	3.1
91.05472	2.1
93.07034	2.2
94.06601	0.5
95.08578	2.1
97.02898	0.9
97.06496	1.1
97.10964	0.4
99.08121	0.4
105.07022	2.9
107.04949	0.9
107.08564	2.4
109.02862	0.5
109.10143	1.7
111.04459	0.4
117.06987	0.8
118.06476	0.6
119.08574	3.5
120.08073	2.6
120.08814	0.4
121.06519	0.6
121.10129	1.4
123.04385	0.7
124.07593	1.6
127.03898	0.8
129.07005	0.5
130.07770	0.5
131.08560	1.8
133.10106	2.6
134.06027	0.7
135.04372	0.5
135.11691	0.7
136.07597	0.7
137.05940	2.4
139.03864	0.5
143.08554	1.2
145.10127	3.2
147.04428	2.1
147.06752	0.5
147.08055	0.5
147.11710	1.1
148.07593	2.2
149.09583	0.6
149.13211	0.8
153.01743	0.5
155.08533	0.7
156.09337	0.5
157.10127	2.0
159.08070	0.7
159.11661	3.5
161.09627	0.7
161.13257	1.4
163.03931	0.9
164.07057	10.7
164.08377	0.9
169.01265	4.0
169.10132	0.6
171.11700	1.5
173.13245	1.7
175.14842	0.7
177.47632	0.4
183.11600	1.0
185.13243	1.9
187.11266	0.7
187.14783	2.4
189.12807	1.0
189.16394	0.5
191.14351	0.6
197.13239	0.8
199.14799	1.5
201.12845	0.9
201.16418	1.2
213.12689	0.5
213.16351	0.9
215.14282	1.9
241.08698	0.5
243.14937	1.0
247.08051	0.4
259.09631	0.7
271.14383	4.0
287.05502	0.7
288.05838	0.6
289.07031	6.2
289.15436	19.1
290.15735	0.4
302.42987	0.4
303.04889	1.2
304.05231	1.4
305.05502	2.4
307.11322	2.0
319.07184	1.1
325.11224	0.6
349.11288	0.5
367.12424	0.5
387.26685	0.6
389.15674	6.6
391.13498	3.8
405.28003	1.4
405.61252	0.4
433.14755	0.7
451.15710	100.0
452.06479	0.5
452.16138	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05489	0.5
56.96542	0.3
57.03424	0.8
61.02906	0.7
66.64729	0.2
67.05505	0.6
69.03429	1.3
69.07037	0.2
69.71944	1.6
71.04980	0.8
73.02909	0.5
75.04468	1.0
79.05484	1.1
80.04992	0.4
81.03414	0.7
81.05798	0.4
81.07052	0.6
85.02894	3.3
86.03192	0.2
86.09696	0.3
89.03918	0.2
91.05470	2.1
92.06239	0.4
93.07039	0.6
94.06567	0.9
95.04947	0.5
95.08595	0.5
96.08114	0.9
97.02898	1.2
97.06503	0.2
98.12369	0.3
99.04431	0.3
104.05027	0.3
105.07019	0.5
106.06561	1.8
106.07188	0.3
107.08587	0.3
108.08138	0.5
109.02847	0.6
109.10141	0.3
116.04973	0.3
117.05756	0.4
118.06538	1.9
119.07326	0.7
119.08572	0.6
120.08095	12.4
121.10135	0.3
122.06032	0.5
122.09653	0.6
123.04397	0.5
124.07582	6.7
126.09165	0.7
127.03915	0.6
131.08565	0.3
133.10127	0.5
134.06004	4.1
135.04370	0.8
135.08031	0.3
136.07567	2.5
137.02339	0.3
137.05986	1.0
138.05498	1.2
138.09151	0.4
139.03845	0.2
143.08510	0.3
145.02840	0.8
145.04991	0.6
145.10095	0.6
146.05927	2.0
147.06786	2.3
147.11673	0.3
148.07562	10.3
150.09137	0.9
151.03842	0.3
152.07091	1.3
153.01808	4.4
154.02318	0.3
157.10117	0.4
159.11658	0.5
162.09151	0.4
163.03899	3.6
164.07056	55.5
165.07561	0.9
166.07405	0.4
166.08659	2.5
170.09601	0.2
170.83475	0.2
171.11719	0.4
172.11154	0.4
179.03400	0.4
183.02890	0.3
183.11740	0.4
184.65285	0.2
185.13309	0.4
187.04065	0.3
191.03407	0.5
195.02928	1.2
197.13293	0.3
198.12749	0.5
199.14810	0.3
200.10686	0.6
214.11014	0.8
215.15608	1.6
216.10190	1.6
219.02966	0.5
226.12253	0.6
228.10196	0.6
229.13350	1.2
243.14937	6.7
245.16496	3.2
253.13330	1.5
254.11778	0.8
257.04306	0.3
261.04010	0.4
271.14398	20.8
272.14801	0.5
287.05206	0.4
289.07050	6.6
289.15445	100.0
290.07260	0.4
290.15765	2.7
301.06998	0.4
303.05023	1.4
304.05334	1.5
305.05505	4.1
433.19666	0.3
451.15533	0.9
451.21216	1.7
451.32040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3201
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03926	2.0
55.05502	11.4
57.07063	3.2
65.03935	1.5
67.05499	18.4
69.03413	3.6
69.07061	13.9
69.40696	13.1
71.04981	2.1
79.05476	15.4
81.07050	36.6
83.04974	15.2
83.08600	4.9
85.02886	3.5
85.06527	1.8
91.05473	21.0
93.07034	35.8
94.26366	1.1
95.04939	7.7
95.08598	52.0
97.06509	6.9
97.10172	2.8
99.08079	3.8
103.05482	1.9
105.07014	56.4
106.07380	1.7
107.04961	2.2
107.08582	54.6
109.06512	5.6
109.10139	25.0
111.08081	3.7
115.05440	2.2
115.40556	1.2
117.06985	8.2
119.08566	79.2
121.06472	2.5
121.10126	32.8
123.04453	1.3
123.08025	6.6
123.11691	10.8
125.05940	1.5
125.09633	5.5
128.06197	1.7
129.07001	4.9
130.07761	3.0
131.08551	36.4
133.06512	2.3
133.09091	2.0
133.10115	40.9
135.08051	6.0
135.11685	11.4
137.05974	4.8
137.09621	5.3
137.13264	1.5
141.06943	2.8
142.07779	4.3
143.08545	15.6
144.09268	2.4
145.10106	65.8
146.10583	1.8
147.07938	2.8
147.11671	39.9
149.09566	3.0
149.13239	13.2
151.07503	1.8
151.11183	1.5
155.08563	6.3
156.09349	5.0
157.10109	29.8
158.10893	2.7
159.08080	2.1
159.11682	42.5
160.12297	1.4
161.09598	4.0
161.13239	24.8
163.07527	2.1
163.11214	3.0
163.14771	7.3
165.12843	1.7
169.10072	8.7
170.10974	6.1
171.11670	23.7
172.12500	1.7
173.09657	3.1
173.13248	35.7
175.11203	6.2
175.14809	33.8
177.12798	2.7
177.16373	10.4
179.14349	1.7
181.10164	2.3
183.11658	8.4
184.07291	2.0
184.12503	3.6
185.13252	24.1
186.13948	3.2
187.11220	2.5
187.14813	52.5
189.12738	1.3
189.16347	12.6
191.14337	4.3
193.15892	3.6
195.11705	2.0
197.13312	10.4
199.11253	1.3
199.14798	33.0
201.12697	3.0
201.16354	64.9
203.14268	12.7
203.17921	37.9
203.19699	2.4
205.15842	15.6
207.11597	1.9
209.13190	3.2
211.14787	7.6
213.12744	1.9
213.16368	26.9
215.14372	5.6
215.17955	5.2
217.15933	6.3
219.13817	3.1
219.17473	3.9
221.15390	4.2
223.14758	3.5
225.16440	3.7
227.17967	7.1
229.15846	6.7
231.13719	1.7
231.17290	6.5
233.15369	2.7
233.19167	1.6
237.16425	3.3
239.17914	6.1
241.19524	4.6
243.17471	2.5
245.15422	5.9
247.16861	7.0
249.16411	2.3
251.17969	3.6
253.19510	1.8
255.17509	1.8
255.21053	2.7
259.16864	3.1
263.18179	1.8
265.19519	3.3
267.21262	1.7
269.22308	1.5
273.18484	2.4
277.19608	1.6
279.20920	2.5
281.22565	2.2
283.20663	2.1
285.18509	1.6
291.20782	1.5
293.22717	1.7
295.24387	1.6
319.24060	1.6
321.25500	1.4
337.21695	1.5
341.24878	2.6
345.25903	1.6
347.27420	1.7
377.31714	1.7
387.30368	12.6
405.31485	51.7
406.31964	1.9
407.33325	3.2
421.31155	1.7
423.32629	6.4
433.30963	15.5
451.32092	100.0
452.32440	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3199
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
51.02382	0.7
53.03931	0.9
54.12394	0.6
55.01859	0.9
55.05505	7.6
57.03422	2.1
57.07051	2.8
58.35564	0.7
59.04982	1.1
65.03923	1.4
66.74282	0.6
67.05494	12.8
69.03405	1.7
69.07057	14.0
69.50524	3.7
69.50939	1.6
71.04948	0.9
79.05476	10.7
81.03411	1.1
81.07048	27.2
82.68047	0.7
83.04967	2.6
83.08606	4.9
85.02885	1.7
85.06545	1.3
89.97420	0.8
91.04942	1.2
91.05468	14.4
93.07029	25.6
95.04946	4.6
95.08595	37.2
97.06484	3.8
97.10123	1.9
98.20733	1.5
98.51936	0.7
99.08089	0.8
102.65975	0.7
103.05417	1.1
105.07016	23.8
107.04948	1.6
107.08582	43.6
109.06510	4.4
109.10144	16.8
111.04457	1.3
111.08084	2.0
115.05450	1.1
116.06229	0.9
117.07007	5.5
119.04960	0.8
119.08565	34.8
121.06474	5.0
121.10126	25.2
123.08090	3.7
123.11686	12.6
125.05990	1.7
125.09650	0.7
128.06232	1.9
129.06995	4.6
130.07741	1.3
130.13863	0.7
131.08557	16.5
133.06467	2.8
133.10117	22.9
135.08095	4.1
135.11676	22.9
137.05971	1.4
137.09587	2.5
137.13232	6.5
141.07001	2.5
142.07776	4.1
143.08531	10.3
144.09335	2.2
145.06488	2.7
145.10098	25.0
147.08032	5.2
147.11667	14.4
149.09610	8.6
149.13245	9.5
151.07509	0.9
151.11124	1.7
151.14795	1.3
153.06972	0.9
154.07762	1.5
155.08540	7.1
156.09312	3.9
157.10100	13.6
158.10858	2.3
159.08067	5.3
159.11668	18.2
160.08798	0.9
161.09610	5.1
161.13243	10.8
163.07599	1.8
163.11194	3.4
163.14774	3.5
165.07054	1.7
165.09061	1.2
165.12700	1.0
166.07793	0.7
166.71652	0.7
167.08589	2.8
167.10640	1.9
168.09390	1.0
169.10117	7.9
170.10898	2.7
171.08057	1.9
171.11665	11.5
172.08803	1.9
172.12422	1.4
173.09628	3.7
173.13235	13.7
175.07628	1.4
175.11133	3.3
175.14804	13.4
175.16238	1.1
177.09065	1.1
177.12756	3.0
177.16328	5.1
179.08525	1.5
179.14352	1.1
181.10106	4.1
182.10883	3.3
183.08104	1.5
183.11685	11.2
184.08759	0.9
184.12463	1.4
185.09610	3.7
185.13232	10.3
186.13950	0.9
187.07539	3.2
187.11171	5.1
187.14789	12.5
189.09210	1.2
189.12727	2.5
189.16359	12.2
191.10611	1.0
191.14313	1.5
191.17924	8.1
192.09225	0.9
193.10175	3.6
193.11862	0.7
194.10866	1.4
195.08109	1.0
195.11678	7.6
196.12550	1.4
197.09601	2.7
197.13228	8.9
198.10394	1.5
199.11095	5.9
199.14795	9.3
201.09079	1.4
201.12729	4.7
201.16354	14.4
202.16855	0.7
203.10567	1.1
203.14288	2.6
203.17957	8.2
205.10284	1.4
205.12085	1.4
205.15848	7.9
206.10828	1.1
207.11678	5.1
208.12511	1.8
209.09734	0.9
209.13205	5.8
210.14133	1.2
211.11168	3.0
211.14711	5.0
213.12747	8.2
213.16301	3.8
215.10789	1.4
215.14297	8.5
215.17859	6.2
217.12152	1.6
217.15887	1.8
217.19551	1.8
219.11731	2.0
219.13853	2.6
219.17442	1.3
220.12242	0.9
221.13208	4.5
222.14030	1.3
223.11217	1.6
223.14786	6.2
224.11858	0.8
225.12830	3.6
225.16312	3.1
227.14351	3.5
227.17929	2.9
229.12267	2.5
229.15779	1.4
229.19398	3.9
231.13797	4.6
231.17354	1.0
233.15410	2.1
234.14099	1.3
235.14832	3.2
236.15466	1.5
237.12857	1.4
237.16394	4.1
238.17149	1.8
239.14328	1.8
239.17920	2.9
241.12221	1.4
241.15872	2.2
241.19507	2.2
243.13786	8.4
243.17438	1.6
243.21086	0.9
245.15460	3.8
245.19151	1.0
247.20605	1.5
249.12662	1.1
249.16360	4.2
251.14259	1.5
251.17920	4.5
253.15849	3.3
253.19466	3.7
255.13768	0.9
255.17476	1.3
255.21156	1.8
257.15445	1.4
257.18927	1.2
257.22610	1.6
259.17068	0.9
261.14645	10.8
263.18201	1.4
265.16055	1.8
265.19443	1.8
267.17392	3.3
267.21017	0.8
269.19025	1.9
269.22812	1.0
271.20566	1.0
275.17990	1.5
277.16031	0.8
277.19424	1.1
279.17404	4.1
279.20776	1.0
281.18906	2.0
283.17102	0.8
285.18558	1.1
289.19479	0.8
291.17502	1.1
291.20917	1.1
293.18961	1.4
295.16891	2.3
297.18478	4.5
305.05545	0.8
307.24252	1.3
309.18463	1.3
309.22116	1.1
311.20102	1.2
313.18018	1.6
313.21466	1.1
317.22372	0.7
319.20377	1.0
323.20197	0.7
331.24118	1.6
335.23584	1.3
337.21817	0.9
347.23633	1.1
349.21567	1.0
349.25342	1.7
363.22946	0.8
375.26764	1.9
377.24619	1.1
387.30304	4.7
397.28439	0.8
403.29987	3.2
405.31537	16.9
409.21448	0.8
415.29916	7.3
421.31042	5.0
423.32516	3.2
433.30984	26.4
434.31158	1.3
451.32053	100.0
452.32288	5.0
473.70816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05508	13.4
57.07063	3.9
65.03922	2.3
67.05492	16.6
69.03427	1.6
69.07057	13.9
70.41242	6.0
71.04980	1.7
77.03931	1.8
79.05479	13.6
81.07046	35.5
83.04968	10.6
83.08607	6.8
85.06506	2.4
91.05468	21.5
93.07032	34.1
95.04958	6.0
95.08592	50.8
97.06503	5.4
97.10171	2.4
99.08079	1.6
105.07016	49.9
107.08581	50.8
109.06507	4.2
109.10138	27.6
111.08077	5.5
111.11655	1.6
115.05393	2.4
117.07002	6.2
119.08563	77.5
121.06479	2.7
121.10129	33.5
123.08070	6.2
123.11660	8.8
125.09636	5.8
128.06229	2.3
129.06989	5.3
130.07704	2.6
131.08543	26.2
133.06523	2.0
133.10118	40.5
135.08031	5.9
135.11658	14.6
137.09647	7.4
137.13307	2.4
141.07005	2.0
142.07756	5.1
143.08542	17.1
144.09354	3.5
145.10101	55.1
147.08011	4.3
147.11665	30.8
149.09627	4.0
149.13239	10.5
151.11150	2.8
153.09079	2.0
155.08554	6.7
156.09322	5.8
157.10115	22.4
158.10876	2.8
159.08081	2.6
159.11671	36.5
161.09570	7.0
161.13246	21.8
163.07530	2.0
163.11139	3.5
163.14824	11.7
165.12794	1.9
168.09264	1.5
169.10104	10.4
170.10905	3.4
171.11659	20.0
172.12428	2.5
173.09674	2.9
173.13229	29.8
175.11182	5.6
175.14803	32.8
175.16257	3.0
177.12778	4.6
177.16357	9.6
179.10703	1.9
181.10094	2.5
182.10849	2.1
183.11681	9.0
185.13260	17.6
187.11156	3.4
187.14813	39.8
189.12706	5.3
189.16353	19.2
191.14224	8.6
191.17970	2.7
193.12262	1.8
195.11688	5.0
196.12352	1.7
197.13278	11.2
199.11121	1.9
199.14781	26.2
201.12735	5.3
201.16359	48.6
203.14301	14.5
203.17924	29.9
205.15834	12.9
207.11566	2.1
209.13310	5.2
211.14772	9.0
213.12906	3.3
213.16345	18.5
215.10725	1.8
215.14317	6.9
215.17888	10.0
217.15773	9.1
219.17416	2.9
221.15359	3.2
223.14900	4.3
225.16429	6.1
227.14310	2.3
227.17859	7.3
229.15874	8.4
229.19496	4.7
231.13770	2.5
231.17384	7.1
233.15392	3.7
237.16354	7.2
239.17906	9.2
241.15932	3.1
241.19548	5.4
243.13792	4.0
243.17409	3.0
245.15356	5.1
247.16971	6.7
249.16330	2.6
251.17967	4.4
253.19502	3.5
255.17403	2.2
255.20970	1.6
257.15219	1.9
257.19049	3.3
259.16928	3.8
259.20685	1.7
261.14783	3.9
265.19562	3.0
267.21094	2.9
273.18573	3.4
277.19489	2.6
279.21231	1.7
281.22552	1.9
283.20551	1.7
285.18515	5.0
291.21088	3.4
307.24261	2.0
309.21976	2.0
321.25638	2.9
331.24152	2.8
367.26633	2.6
377.32117	2.3
387.30386	12.1
393.27728	4.0
405.31464	52.6
406.31970	2.0
407.32938	3.2
421.30814	4.1
423.32574	5.7
433.30954	31.0
451.32053	100.0
452.32263	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	451.3202
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03936	2.6
55.01855	2.2
55.05507	16.3
57.07065	2.3
61.38995	1.1
67.05499	17.9
68.85387	1.4
69.03416	2.0
69.07061	13.8
71.04997	1.7
79.05491	16.9
79.40687	1.1
81.07049	43.1
83.04966	21.2
83.08614	8.1
91.05468	20.5
93.07034	40.6
93.07623	2.6
95.04958	12.0
95.08595	52.0
97.06499	3.1
97.10159	4.4
98.20877	6.0
103.05433	1.5
103.80623	1.3
105.07014	47.3
107.08582	64.3
109.06499	9.6
109.10146	24.6
111.08068	8.0
117.06984	9.7
119.08566	76.9
121.06507	3.6
121.10129	33.9
123.08057	9.8
123.11689	9.1
125.09610	9.9
128.06194	2.6
129.07010	5.7
130.07744	1.9
131.08548	25.6
133.10114	39.3
135.08051	3.9
135.11670	19.4
137.05995	1.4
137.09604	7.2
137.13228	3.5
141.07010	3.8
142.07788	4.2
143.08542	19.3
144.09346	1.9
145.06520	1.9
145.10098	49.9
147.08032	2.0
147.11673	34.0
147.12762	2.2
149.05940	1.4
149.09633	3.8
149.13248	11.3
151.11195	2.6
153.09050	2.4
153.64392	1.2
155.08527	7.7
156.09334	5.3
157.10118	25.4
158.10901	3.5
159.08081	3.0
159.11678	35.1
160.12337	1.5
161.09612	4.0
161.13225	17.9
163.07515	4.4
163.11162	4.4
163.14793	9.5
165.12813	3.5
167.08577	1.8
168.09361	1.7
169.10112	12.4
170.10896	3.5
171.11676	22.0
172.12407	1.6
173.09621	2.1
173.13254	30.4
173.14664	2.4
175.11244	3.8
175.14799	32.0
175.16246	2.2
177.09117	2.8
177.12743	3.9
177.16380	9.6
179.14326	1.5
181.10173	4.0
182.10933	2.5
183.11662	10.4
185.09720	3.0
185.13242	15.6
187.11183	2.9
187.14792	33.0
189.09048	1.3
189.12775	3.2
189.16342	16.7
191.14357	4.2
191.17979	3.6
193.10243	1.6
193.15884	4.1
195.11687	4.7
196.12468	2.3
197.13258	10.6
199.11220	1.7
199.14804	22.7
201.09198	1.3
201.12761	3.5
201.16365	31.8
203.14276	6.7
203.17960	8.4
205.12363	1.8
205.15894	8.4
207.11722	2.2
207.13863	1.3
209.13318	4.1
211.14812	10.8
213.16348	17.8
215.14372	6.5
215.17899	6.4
217.15871	9.4
219.13797	2.4
219.17352	2.5
221.13356	2.4
221.15416	1.6
222.13933	1.3
223.14839	5.0
225.16335	9.6
227.17883	7.7
229.15884	5.5
229.19476	2.9
231.13837	2.1
231.17464	7.2
233.15364	3.9
235.14908	2.6
237.16371	8.8
239.14369	1.6
239.17935	8.0
241.15817	1.6
241.19473	12.5
243.13712	3.8
243.17561	3.6
245.15370	6.6
247.16924	6.0
249.16290	2.7
249.18690	1.4
251.18019	4.6
253.19507	7.2
255.17410	1.6
255.21271	3.1
257.15436	1.5
257.18951	2.1
259.17001	5.4
259.20596	2.5
263.18045	2.2
265.19568	3.4
267.17715	2.3
267.20938	2.8
269.19070	2.7
271.20770	1.6
273.18484	3.8
277.19568	3.4
279.21033	2.5
281.22693	3.1
285.18481	4.2
287.20142	2.8
291.21115	3.7
293.22571	1.5
295.24164	2.6
297.18552	1.4
299.19986	3.7
307.24274	1.7
309.22156	3.8
309.25607	1.8
311.19849	1.7
321.26044	1.4
327.23386	2.6
331.24313	1.5
339.23355	2.5
341.24774	2.4
347.27301	7.5
349.25354	1.8
353.24747	1.8
355.26453	3.7
367.26419	1.7
377.32077	1.9
387.30344	9.6
393.27859	20.4
405.31467	58.0
407.33096	4.9
409.31116	2.4
415.30212	2.0
421.30972	2.5
423.32425	4.5
433.31067	22.3
451.32083	100.0
452.32727	2.1
460.36728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3201
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	3.0
55.05501	16.7
57.07059	6.2
67.05492	24.4
67.92328	1.6
69.03412	3.3
69.07056	16.3
69.65773	10.3
71.04997	3.0
79.05484	20.9
81.07047	60.8
83.04973	20.3
83.08608	8.3
85.06512	2.2
91.05463	30.4
93.07029	44.3
95.04952	10.2
95.08593	69.4
96.08887	1.8
97.06512	6.9
97.10184	4.1
98.21449	3.8
103.05460	3.2
105.07014	78.1
105.85749	1.5
107.07850	3.9
107.08579	72.6
109.06480	10.3
109.10139	40.7
111.08072	6.1
115.05420	3.3
116.06209	1.9
117.07000	14.3
119.08562	95.0
121.06496	3.1
121.10123	46.7
123.08032	8.0
123.11690	17.3
125.09612	7.5
127.07494	3.1
128.06197	3.1
129.06985	7.8
130.07715	2.1
131.08553	56.4
131.09500	3.5
133.06517	3.0
133.10107	59.8
135.08034	5.0
135.11685	19.7
137.09602	4.0
137.13263	3.3
141.06955	2.0
142.07780	5.7
143.08519	16.6
144.09331	3.4
145.10100	79.7
147.07950	3.1
147.11667	54.1
149.09552	3.9
149.13252	14.0
151.11192	3.6
155.08510	5.7
156.09326	3.9
157.10101	29.6
158.10872	3.8
159.08072	2.2
159.11670	48.5
160.12300	1.6
161.09589	4.7
161.13235	26.5
163.07538	3.3
163.11102	2.3
163.14827	11.7
165.12770	2.1
167.08614	1.8
169.10139	10.9
170.10942	4.5
171.11653	22.0
173.09616	3.1
173.13235	44.9
173.14629	2.6
175.07458	1.9
175.11215	5.5
175.14803	42.8
177.09103	2.7
177.12785	4.1
177.16367	19.2
179.14259	1.9
183.11682	10.8
184.12402	2.7
185.13223	29.3
186.13963	2.7
187.14786	63.1
187.16402	3.5
189.12762	3.5
189.16382	18.6
191.14313	4.4
191.17938	5.1
193.12149	3.1
193.15854	4.3
195.05960	1.7
195.11717	3.4
197.13232	9.2
199.14806	32.9
201.12625	3.1
201.16351	73.1
203.10968	1.6
203.14339	16.4
203.17917	54.4
205.15839	26.3
205.19550	4.8
209.13255	4.6
211.14819	6.6
213.12907	2.6
213.16374	23.7
215.14360	3.7
215.17937	7.6
217.15930	12.0
219.13844	2.0
219.17451	6.0
221.15340	3.8
223.14801	4.7
225.16437	6.7
227.17955	7.6
229.15868	7.4
229.19496	3.9
231.13898	2.7
231.17380	11.0
233.15422	3.2
237.16293	5.9
239.17946	5.8
241.19472	3.6
245.15408	6.1
247.14799	1.9
247.16914	11.9
249.16498	2.4
251.18013	3.9
253.19557	4.8
255.21124	2.3
257.19083	3.2
259.16959	5.7
265.19409	3.0
267.21124	2.3
277.19601	1.9
279.20892	2.2
281.22714	3.5
285.18512	2.0
299.19922	2.7
331.24103	2.2
339.23099	2.2
341.24698	1.9
347.27136	1.8
377.32175	1.6
387.30371	9.7
393.27930	2.9
405.26495	3.5
405.31491	46.2
407.32999	5.4
415.30057	1.9
421.31335	3.2
423.32578	6.5
433.31027	22.2
451.32068	100.0
452.32339	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3202
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03935	2.3
55.05505	11.1
57.07063	2.1
59.04999	2.3
62.08354	1.4
65.03935	2.1
67.05499	18.2
69.03420	4.6
69.07061	16.0
70.01179	5.5
70.01582	3.1
79.05478	16.9
81.07044	36.7
83.04974	3.8
83.08607	6.3
91.05465	20.7
92.34238	1.7
93.07034	42.0
95.04967	5.5
95.08592	53.5
97.06525	8.3
97.10167	3.1
105.06308	1.6
105.07014	50.1
107.08589	54.0
109.06512	5.8
109.10133	25.7
111.08067	3.8
117.06997	9.1
119.08567	77.1
121.06525	4.5
121.10128	33.1
123.08042	6.3
123.11717	5.9
125.09615	5.8
127.11211	2.4
128.06232	4.0
129.06995	6.9
130.07729	2.0
131.08546	35.8
133.10112	46.7
133.11069	3.2
135.08018	8.9
135.11679	17.1
137.09615	4.1
137.13237	2.0
139.07477	2.0
139.29297	1.9
142.07764	6.1
143.08543	22.9
144.09335	2.4
145.10110	48.1
147.08055	2.9
147.11676	24.7
149.09564	4.2
149.13234	12.7
151.11171	2.3
153.09100	3.6
155.08525	9.0
156.09352	5.0
157.10106	31.4
158.10854	3.6
159.08052	3.0
159.11673	40.4
161.09540	9.0
161.13249	18.1
163.07494	3.0
163.11176	5.9
163.14804	13.8
165.12712	2.0
167.08479	2.0
169.10135	11.6
170.10970	4.9
171.11665	21.9
173.09590	5.7
173.13246	33.9
175.11182	7.2
175.14815	29.9
177.09146	3.0
177.12738	7.2
177.16328	13.5
179.14227	2.9
181.08319	2.3
181.10027	3.9
183.11662	16.8
185.13225	16.3
187.11116	4.2
187.14801	40.4
189.12740	5.2
189.16339	22.6
191.14305	7.2
191.17973	4.3
192.39011	1.8
193.10196	2.4
193.15819	3.4
195.11697	6.0
196.12479	2.8
197.13330	13.2
199.14810	22.3
201.12814	2.9
201.16344	28.3
202.16518	2.6
203.14281	16.4
203.17935	17.9
205.15952	4.7
205.19456	2.9
207.11751	3.5
209.13237	5.5
210.14009	2.4
211.14842	11.5
213.12747	2.4
213.16364	19.2
215.14333	8.3
215.17851	9.7
217.15807	15.0
219.13649	2.9
223.14815	6.8
225.12982	2.1
225.16376	9.7
227.17934	9.0
229.15912	11.1
229.19492	7.5
231.17329	10.2
233.15489	2.2
235.14784	3.3
235.16960	2.1
237.16319	23.5
239.17952	14.6
241.15891	2.3
241.19524	7.2
243.17427	4.3
243.21060	2.6
245.15450	3.7
247.16980	9.3
249.16441	3.5
251.17931	3.7
253.19464	6.3
255.21082	3.8
257.19043	2.7
259.16916	3.3
261.18610	3.9
265.19577	5.1
267.21194	5.5
273.18475	3.2
277.19611	2.9
279.21045	2.8
281.22559	2.8
283.20715	2.4
285.18607	5.6
287.20065	2.8
291.21075	4.7
299.19885	4.2
307.24170	2.8
309.22113	8.1
317.22577	5.2
321.25821	3.6
323.20401	2.4
325.21689	2.2
325.82965	1.8
327.23175	4.0
331.24167	2.5
335.23340	2.5
347.27432	2.2
365.24963	2.0
367.26355	3.8
375.30545	2.2
377.31998	2.7
387.30423	14.9
393.27853	4.0
405.31473	70.7
407.32898	2.4
421.30881	5.0
423.32632	8.0
433.31021	36.5
451.32062	100.0
452.32846	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3204
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03924	3.6
54.55148	1.1
55.05289	1.3
55.05507	13.8
57.07063	2.9
59.05001	2.0
65.03928	1.8
67.05161	1.7
67.05502	24.9
69.03419	1.6
69.07068	11.6
69.08617	1.2
69.99027	6.7
79.05482	18.6
81.07050	47.6
82.07405	1.3
83.04975	66.9
83.08614	6.8
83.57361	1.1
85.06519	2.1
91.04937	2.3
91.05471	23.9
93.07037	44.1
95.04958	14.8
95.08598	56.8
97.10155	3.4
99.08087	1.1
103.05442	2.1
105.07023	57.8
107.08588	64.7
109.06487	9.7
109.09431	2.4
109.10142	29.8
111.08056	6.8
117.06995	8.7
119.06015	1.4
119.08572	72.7
121.10138	32.4
123.08045	10.2
123.11707	12.6
124.10327	1.1
125.09599	8.7
127.07542	4.3
128.06216	2.2
129.07010	7.5
131.08553	29.1
132.09232	1.5
133.10124	42.0
135.08058	2.8
135.11681	20.3
137.09608	5.8
137.13295	2.5
141.06961	2.4
142.07771	2.9
143.08543	16.3
144.09341	3.0
145.10109	57.3
147.08032	3.0
147.11678	39.3
149.09612	2.5
149.13242	14.6
151.07532	1.9
151.11143	4.3
153.06973	1.4
153.09172	1.5
155.08551	5.5
156.09340	4.2
157.10138	23.4
157.11421	1.6
158.10893	2.7
159.08128	1.2
159.11691	42.3
161.09566	5.9
161.13243	26.3
163.07498	1.5
163.11147	2.5
163.14815	9.5
165.09097	1.2
165.12743	4.2
167.08575	2.4
169.10167	10.5
170.10907	3.6
171.11678	25.1
173.09644	1.9
173.13260	34.9
175.11180	1.7
175.14821	29.7
177.09097	2.2
177.12756	2.0
177.16373	7.6
179.08759	1.1
179.10617	1.6
181.10117	2.9
182.00784	1.3
182.10997	1.2
183.11697	11.2
184.12495	3.2
185.13222	20.3
186.13870	1.3
187.14821	27.5
189.12688	2.2
189.16351	15.2
189.50958	1.2
191.10562	1.7
191.14372	2.6
191.17911	5.7
193.10059	1.3
193.15865	3.7
195.11661	5.9
196.85625	1.2
197.13274	12.8
199.14792	26.7
201.12749	1.8
201.16376	33.3
203.14355	5.4
203.17877	8.4
205.12251	1.6
205.15852	6.5
207.11598	2.6
209.13289	5.3
211.14789	8.8
212.15547	1.3
213.12756	2.5
213.16391	22.2
215.14381	5.9
215.17932	6.8
217.12381	2.2
217.15840	15.6
219.13786	3.4
219.17432	5.4
221.13329	1.7
221.15320	2.7
223.14870	2.9
223.31435	1.4
225.16351	6.3
227.14299	1.7
227.17986	6.3
229.15968	4.8
229.19449	2.8
231.13873	1.9
231.17390	8.5
233.15410	4.1
237.16417	5.6
239.17935	9.2
241.15723	1.8
241.19514	13.8
243.13779	3.6
244.57867	1.4
245.15436	6.4
245.19073	1.4
247.16893	8.1
251.17981	3.8
253.19426	6.6
255.21036	1.5
257.15265	1.8
257.19073	2.5
259.16940	9.4
259.20505	1.7
265.19598	1.8
267.21100	4.6
269.22778	1.5
271.17068	1.8
273.18549	2.6
277.19562	3.3
281.22675	2.7
285.18515	4.6
291.20953	2.3
293.22607	2.4
299.20047	4.9
309.22198	3.4
311.19952	1.7
313.21661	1.6
317.22995	1.4
323.27383	1.9
335.23483	1.6
339.23190	2.6
347.27234	9.9
349.25266	1.7
349.29041	1.6
355.26392	4.7
369.28091	1.9
387.30600	8.7
393.27878	25.9
405.31531	48.7
406.31781	1.5
407.33243	3.6
415.30011	1.5
421.30859	2.9
423.32510	2.5
433.30963	18.6
451.32065	100.0
452.32556	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	451.3201
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.01851	1.7
55.05504	15.1
57.07069	2.7
67.05492	24.6
69.03417	7.1
69.07056	12.3
70.68069	1.8
70.68415	6.0
79.05482	15.9
81.07048	44.6
81.73398	1.8
82.45406	1.9
83.04977	4.7
83.08619	10.9
85.06553	2.3
91.05461	21.1
93.07027	36.4
95.04964	6.9
95.08595	55.6
97.06509	16.5
97.10153	2.7
98.20969	2.3
99.08087	7.4
103.05410	2.0
105.07013	54.2
107.08577	68.0
109.06499	9.5
109.10141	34.6
111.08071	7.8
115.05427	1.8
117.07034	8.3
119.08567	100.0
119.94982	1.5
121.06474	2.7
121.10126	42.7
123.08061	7.6
123.11662	10.1
125.06053	1.7
125.09621	11.7
128.06210	2.1
129.06973	8.9
130.07718	2.1
131.08545	39.0
133.10118	50.5
135.08084	6.1
135.11662	23.0
137.05902	1.8
137.09622	6.2
137.13242	4.3
141.06969	3.1
142.07761	6.2
143.08539	20.4
144.09297	5.0
145.10103	72.6
147.11674	35.8
149.09581	9.2
149.13232	13.3
151.07527	2.4
151.11189	6.3
153.09106	3.2
155.08551	4.2
156.09340	6.5
157.10129	30.0
158.10861	4.8
159.08051	3.9
159.11681	46.0
161.09608	10.8
161.13246	33.9
163.07521	3.8
163.11186	5.1
163.14792	8.4
165.12788	2.1
168.09320	2.2
169.10057	11.2
170.10913	5.3
171.11676	29.0
172.12497	1.7
173.09564	2.1
173.13248	39.8
175.11180	2.8
175.14812	26.5
177.12782	2.9
177.16386	7.0
181.10112	3.9
182.10918	2.7
183.11647	16.4
184.12456	2.8
185.13226	27.6
185.14798	1.9
187.11176	2.5
187.14803	56.1
187.16411	3.5
189.12679	4.7
189.16333	19.3
191.14291	4.8
191.18015	6.9
193.15894	2.7
195.11690	5.1
197.13228	15.2
199.14787	40.0
199.16539	3.0
201.09091	2.4
201.12747	3.7
201.16354	37.3
203.14319	4.1
203.18034	6.1
205.12209	2.2
205.15895	5.7
207.11667	2.4
209.13274	7.3
211.14841	7.9
212.15536	2.4
213.12834	2.2
213.16336	20.9
215.14246	6.5
215.17998	8.3
217.15906	6.1
219.13867	4.7
219.17349	8.5
221.13132	3.0
221.15230	1.9
223.14853	5.1
225.16374	9.9
227.17982	8.9
229.15898	3.3
229.19568	3.1
231.13921	2.8
231.17412	9.4
233.15314	5.1
235.14777	2.4
237.16411	3.6
239.17943	6.5
241.15775	1.9
241.19560	5.7
243.13890	7.2
243.17183	2.4
245.15346	9.4
245.19096	2.4
247.16968	6.0
249.16443	2.7
251.17944	4.9
253.19611	5.1
255.17474	2.3
257.15372	2.0
259.16940	4.2
261.14774	2.5
263.17868	2.0
265.19528	4.7
267.21011	2.8
271.17014	2.7
273.18576	3.0
279.21017	4.2
281.22653	3.3
283.20474	3.7
285.18542	3.5
293.22778	2.5
299.20197	3.0
303.20975	2.2
305.22391	2.3
307.24142	3.2
309.22366	2.7
317.22714	2.3
325.21674	2.1
331.24094	2.5
335.23715	4.4
339.23050	2.0
347.27380	6.0
387.30371	10.3
393.27899	11.5
395.25702	2.4
405.31503	72.8
406.32123	3.7
407.32983	9.5
415.29993	2.3
421.31137	2.2
423.32642	5.0
433.31064	27.7
451.32083	99.2
452.32324	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	452.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05032	0.3
57.03427	0.3
58.06627	0.5
59.07395	0.2
60.08160	6.2
67.05495	0.9
69.07063	0.4
69.75294	0.2
69.75697	0.7
70.06586	0.2
71.07369	2.2
79.05499	0.7
81.07057	1.1
83.04980	0.2
83.08597	0.2
86.09698	29.1
87.10030	0.2
91.05466	0.3
92.00755	0.1
93.07028	0.9
95.08588	0.4
97.06529	0.3
98.20780	0.1
98.98457	2.3
101.77567	0.1
102.05983	0.1
104.10730	3.0
105.07021	0.4
106.07366	0.1
107.08587	0.6
108.08864	0.2
109.10187	0.2
119.08604	0.6
120.08923	0.2
121.10146	0.4
123.04438	0.2
124.99995	19.4
131.08554	0.3
133.10101	0.3
135.11705	0.5
143.01015	0.4
145.10130	0.5
146.10556	0.1
147.11636	0.2
149.13231	0.3
151.03889	0.2
157.10147	0.2
159.11681	0.4
172.32669	0.1
175.14798	0.2
180.73941	0.1
181.12209	0.1
184.07324	100.0
185.07645	0.6
185.13202	0.1
187.14937	0.2
188.15076	0.1
199.14830	0.2
201.16389	0.2
202.16754	0.3
204.18294	0.2
206.31158	0.1
213.16623	0.1
255.15936	1.1
258.10910	0.2
269.17706	0.2
341.55463	0.1
388.30640	0.1
406.32065	0.2
424.33417	0.2
434.23050	1.3
452.24060	6.4
452.31863	0.4
453.17249	0.2
453.24524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01852	3.8
55.05496	3.8
57.03430	22.5
59.04978	5.8
60.04518	2.3
60.08151	10.0
61.02905	1.9
67.05491	13.8
69.03421	76.6
69.07049	3.6
71.01908	3.4
71.02264	2.2
71.04625	2.0
71.04985	13.9
71.07360	3.3
73.02908	2.0
75.04466	4.3
79.05484	7.9
80.68823	1.4
81.03400	6.3
81.07048	26.6
83.04996	2.0
83.08580	2.2
85.02895	75.7
85.06528	2.4
86.09692	34.1
87.04455	53.9
91.03934	2.3
91.05454	6.1
92.05774	1.5
93.07032	8.2
95.04950	3.8
95.08601	7.4
97.02879	66.0
97.06515	4.2
98.98438	1.9
99.04449	3.3
104.10733	72.5
105.07005	8.0
106.07321	2.0
107.04892	1.8
107.08577	6.2
108.08923	1.8
109.02859	3.4
109.06505	2.8
109.10152	4.2
111.04412	1.8
115.03912	91.9
119.08573	6.4
120.08933	1.8
121.06476	1.9
121.10129	4.3
123.04417	3.7
123.11678	7.8
124.99992	17.6
125.05949	2.5
127.03924	11.9
131.08585	3.0
133.04951	100.0
133.10112	5.9
135.07974	1.5
135.11678	3.7
137.05946	2.2
139.03871	3.5
141.12718	4.5
143.08589	2.7
145.04970	19.1
145.10107	6.6
146.10513	1.9
147.11655	3.3
149.13234	3.0
150.07599	16.1
151.11218	2.5
157.10092	2.1
158.10616	1.7
159.11678	5.5
160.12093	2.5
161.13226	2.0
163.03877	2.5
163.05978	4.7
163.11156	2.1
165.12793	2.5
171.11549	2.5
173.13249	3.8
176.15120	2.3
177.12743	2.3
184.07321	57.0
185.13295	1.9
187.14801	5.3
188.15132	2.4
189.12689	2.1
189.16382	1.7
191.14334	1.9
201.12753	2.9
201.16330	1.6
207.13791	2.2
219.13907	2.1
223.06209	1.9
237.14717	2.5
241.07028	2.2
255.16031	2.3
259.08081	5.6
267.15805	1.8
277.09140	3.4
290.13776	3.0
295.10294	4.8
434.23004	6.1
452.23987	31.1
452.32086	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
55.01862	3.5
55.05490	1.3
56.96539	1.1
57.03430	1.4
62.06034	0.9
65.03930	1.1
67.05494	4.5
68.99786	1.5
69.03419	3.5
69.07068	1.2
70.06586	1.5
71.04970	3.6
71.63354	1.6
72.30525	0.8
79.05485	4.7
81.03400	3.3
81.07052	5.1
83.04975	1.0
83.08598	1.3
85.02898	5.0
85.06508	1.2
87.04446	1.0
89.03907	1.5
91.05466	9.0
93.03397	4.5
93.07037	4.0
95.04948	5.4
95.08579	3.1
95.47623	1.0
97.02851	2.5
97.06523	1.5
99.04478	0.9
100.11232	2.9
103.05470	1.1
105.03387	1.1
105.07020	6.7
107.04933	6.5
107.08578	6.4
109.02867	2.7
109.06483	2.1
109.10143	3.3
111.04411	2.5
111.05779	0.8
115.05424	2.5
116.98656	1.4
117.07010	2.8
117.76478	0.9
119.04916	8.5
119.08574	7.7
121.02848	1.7
121.06493	1.8
121.10144	3.2
123.04416	74.3
123.08019	1.5
123.11683	1.2
127.03880	2.6
129.07031	1.8
131.04910	2.4
131.08539	2.9
133.06497	1.7
133.10088	5.1
135.04401	14.6
135.08038	2.2
137.02324	50.6
137.05984	2.2
137.09590	1.6
138.09135	1.0
139.03879	3.7
141.06975	1.1
142.07753	1.2
143.04912	2.2
143.08591	2.4
145.02831	2.6
145.10144	5.9
147.04388	25.1
147.08012	2.2
147.11633	2.4
149.05930	2.2
149.09592	1.7
149.13193	1.0
151.03859	1.9
151.07550	2.8
153.01797	5.8
157.10168	2.9
159.08087	1.1
159.11719	4.7
161.05969	9.2
161.09616	2.7
161.13239	1.3
163.03889	40.2
165.01830	4.1
165.05476	13.9
167.07014	3.7
169.06506	1.2
169.10101	1.2
171.11600	1.5
173.05975	2.8
173.09618	1.3
173.13246	3.2
175.14720	1.4
177.01842	1.3
177.05493	3.3
177.09135	1.1
178.04912	1.4
179.03369	3.8
179.05310	1.2
179.06941	2.3
182.15288	1.1
183.02864	7.3
185.13242	2.7
187.03929	3.0
187.14735	1.2
189.05458	3.8
189.09146	1.3
189.12708	2.6
191.03372	100.0
191.14316	2.0
192.03734	1.4
195.02971	1.5
197.13257	1.6
199.14850	2.3
201.05443	1.5
203.03427	4.2
203.14365	1.4
205.04950	2.7
206.04506	2.7
207.02870	1.8
207.04764	2.0
207.06503	8.7
209.04483	1.6
209.16385	1.2
213.05406	2.2
215.14384	2.3
217.05005	1.3
217.15881	2.2
221.04448	2.1
222.02127	0.9
229.04904	1.2
233.04440	2.5
233.15535	0.9
237.02811	1.2
241.04959	2.5
247.05962	2.7
255.06429	1.2
259.06012	12.0
268.10770	1.2
271.05978	12.7
283.05777	1.6
285.07355	2.5
286.07324	1.0
289.07037	3.2
290.06952	1.2
291.07825	2.2
295.05585	1.3
299.05521	1.9
301.07016	48.7
305.05511	1.4
307.05957	1.8
313.07028	41.6
314.07355	1.6
317.06549	15.2
325.07126	2.6
343.08127	18.9
389.28012	1.2
393.09396	1.5
393.17511	1.7
406.19177	1.2
407.29437	2.6
411.10782	13.4
419.70532	1.1
435.10818	4.2
435.17313	1.1
435.33246	1.3
453.11362	2.0
453.17047	6.6
453.20615	6.3
453.29846	4.7
453.34271	4.6
472.41669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36687	1.0
51.02371	0.9
53.03939	1.9
55.01869	3.0
55.05511	7.0
55.53343	1.0
57.07053	1.6
58.01178	1.1
60.08144	1.2
64.91005	0.9
65.03917	1.2
67.05499	5.5
68.99782	1.4
69.03405	2.5
69.07059	3.2
70.06597	1.4
70.75274	2.9
71.04970	1.1
71.56226	0.9
76.93238	0.9
77.03954	1.3
79.05479	6.6
80.02380	1.0
81.00482	1.1
81.03406	2.6
81.07040	9.8
82.06579	1.6
83.04978	1.8
83.08618	4.9
84.08105	1.5
85.02890	3.9
85.06525	2.0
86.09693	4.4
87.10034	1.5
89.03905	1.1
91.05473	8.8
93.03404	4.6
93.07033	6.1
95.04958	4.6
95.08598	7.4
97.02850	1.9
97.06492	1.3
100.07585	2.2
100.11246	14.8
103.05453	1.2
105.03376	1.5
105.07018	9.7
107.04945	7.2
107.08582	8.0
109.02866	3.3
109.06557	1.3
109.10149	4.7
111.04429	5.5
111.08082	1.2
115.05423	1.3
117.03391	1.5
117.06990	2.8
119.04931	8.1
119.08583	12.3
121.02858	2.1
121.06479	2.4
121.10128	4.9
123.04414	77.8
123.08120	1.7
123.11717	1.7
124.99986	3.4
127.03873	2.4
128.06174	1.4
128.07045	2.6
129.07027	1.5
131.08549	6.6
133.06468	1.6
133.10100	7.1
135.04385	14.9
135.08075	2.2
135.11652	3.2
137.02325	62.7
137.03331	2.3
137.05963	2.4
137.09583	2.4
139.03877	4.9
143.04938	2.1
143.08530	3.5
145.02855	2.0
145.10104	9.3
147.04391	26.1
147.08040	1.7
147.11661	5.0
149.05908	1.9
149.09584	1.2
149.13225	2.1
151.03889	1.9
151.07567	1.5
153.01839	4.5
155.08514	1.2
157.10136	3.9
159.11667	5.6
161.05963	10.9
161.09575	2.2
161.13242	4.4
163.03891	39.6
163.07472	1.1
163.11156	1.1
165.01785	4.9
165.05453	18.9
167.06973	1.0
169.10110	1.4
171.04367	1.9
171.11682	2.8
173.05984	1.9
173.09697	1.4
173.13228	5.5
175.04027	1.6
175.07623	1.2
175.11150	2.0
175.14818	2.9
177.01846	1.8
177.05446	3.1
177.12836	1.9
179.03391	5.0
179.07034	3.0
182.15387	6.5
183.02867	8.6
183.11639	3.1
184.07309	13.9
185.05988	2.0
185.07637	4.3
185.13243	3.7
187.03914	3.8
187.11124	1.4
187.14813	4.7
189.05429	2.7
189.12746	2.1
189.16418	1.2
190.38597	1.1
191.03369	100.0
191.14250	3.1
192.03737	2.6
195.02870	1.4
195.11620	1.5
197.05946	2.2
197.13226	1.4
199.03911	1.7
199.14793	3.0
201.12694	2.5
201.16356	3.6
203.03355	4.1
203.10722	1.5
203.14441	1.4
205.04935	2.5
207.02870	2.1
207.06474	10.6
207.13710	1.1
209.04434	2.1
209.13222	1.4
209.16470	2.8
210.14909	5.9
211.14857	2.1
213.05481	3.8
215.14285	1.7
217.05043	1.2
217.15868	2.2
221.04356	2.7
224.74083	1.2
225.05405	1.4
227.17758	2.7
233.04440	3.1
237.02916	1.4
241.05022	2.3
247.06062	3.3
252.15524	1.0
255.06485	1.4
255.23059	1.5
259.06009	9.7
271.06015	15.1
271.17017	1.2
276.72824	1.4
283.05963	1.7
287.05371	1.1
289.07037	2.2
291.15729	3.2
301.07028	56.1
302.07370	1.5
313.07010	47.6
317.06525	19.1
325.07047	2.8
340.26059	1.5
343.08109	25.4
343.30508	1.3
378.82663	1.0
389.28528	2.2
389.80945	2.3
393.09650	4.0
407.29288	3.2
411.10721	13.8
435.10764	5.5
435.16776	1.3
435.28510	1.5
444.33432	2.4
453.11102	5.2
453.21152	9.7
453.29419	5.9
453.34491	3.8
453.84479	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03938	0.7
55.01854	2.5
55.05502	27.6
56.05820	0.4
57.07065	1.8
65.03928	0.5
67.05499	2.7
68.52217	0.3
68.99767	1.7
69.03413	0.8
69.07054	1.8
70.06580	2.1
70.96792	0.3
70.97145	0.9
71.04999	0.4
73.02885	0.3
77.03896	0.3
79.05482	2.7
79.56209	0.3
81.03400	1.3
81.07048	2.5
82.06569	7.9
83.04977	4.5
83.08604	20.8
84.08120	1.4
84.08916	0.5
85.02876	1.1
85.06519	1.6
86.09682	0.8
89.03909	1.1
91.05469	3.6
91.58083	0.7
93.03386	1.4
93.07025	1.1
94.06549	0.6
95.01290	0.4
95.04951	3.7
95.08593	1.3
96.08154	0.4
97.02867	0.7
97.06506	1.0
98.09673	3.5
98.20811	0.4
100.07604	8.7
100.11240	100.0
101.11543	2.7
101.94318	0.3
103.05460	0.6
105.03361	0.7
105.06991	1.8
107.04942	4.1
107.08567	1.4
107.61160	0.4
109.02874	1.2
109.06525	0.5
109.10163	0.9
110.06022	4.5
111.04425	14.9
111.99767	0.4
112.04768	0.4
112.07587	3.8
114.09194	0.9
115.05454	0.9
117.03388	1.4
117.07027	0.5
117.13869	3.2
118.04228	0.3
119.04922	6.7
119.08566	1.7
121.02851	0.6
121.06478	0.8
121.10130	0.9
123.04410	48.3
123.11666	0.6
124.04697	0.7
124.99983	0.7
125.05955	0.4
126.09131	3.5
127.03884	1.1
127.08655	2.1
128.07054	10.9
129.05437	1.6
129.07217	0.3
131.04930	1.3
131.08546	1.1
133.02806	0.4
133.06483	1.0
133.10106	0.8
135.04391	14.5
135.08046	0.4
135.11656	0.5
137.02322	25.7
137.05948	1.6
139.03854	3.1
139.08638	2.5
140.07056	4.0
141.01773	0.5
141.11452	4.5
141.61671	0.3
143.04887	2.1
143.08533	0.5
143.11847	0.4
145.02821	2.5
145.06479	0.4
145.10107	1.5
147.04384	17.8
147.08014	0.4
147.11662	1.5
149.05971	0.8
149.13197	0.4
151.03928	0.9
151.07512	0.5
153.01817	1.2
153.05435	0.7
155.11186	0.8
157.10106	1.0
159.04387	0.7
159.11673	0.8
161.05951	6.8
161.09563	0.5
163.03879	30.0
163.11061	0.5
163.64354	3.0
164.04298	0.7
164.14407	1.1
165.01811	1.6
165.05449	11.8
165.06848	0.6
166.15912	1.1
168.13785	0.7
171.04362	0.7
171.11694	0.7
172.15688	0.9
173.05872	0.5
173.13225	0.8
175.03889	1.1
175.11076	0.5
177.05525	2.0
179.03424	3.1
179.06932	2.6
181.04727	0.4
182.15375	41.3
183.02838	2.5
183.11668	0.8
183.15726	2.5
184.07285	1.9
185.05952	1.0
185.13271	0.4
187.03847	2.3
187.07576	0.4
187.11118	0.6
187.14859	0.6
189.05457	2.8
189.12654	0.7
191.03360	99.6
192.03778	1.2
192.13864	1.5
195.02986	0.5
197.01202	0.3
197.06000	0.8
199.03952	0.7
199.17995	2.6
201.05489	0.4
201.12772	0.4
203.03345	6.7
203.05133	0.6
203.07002	0.8
204.66490	1.3
205.04950	2.3
205.08588	0.6
207.02930	1.7
207.06470	7.7
209.16464	20.2
210.14867	37.7
210.16615	1.8
211.15173	3.0
213.05463	1.9
213.16039	0.3
213.17804	5.5
213.68039	0.8
217.04904	1.1
221.04405	4.4
225.05296	0.4
225.16098	0.5
226.19116	6.5
227.17477	8.0
228.15880	4.3
228.17830	0.5
229.04761	0.4
231.06512	0.5
233.04364	2.2
241.04875	1.8
244.20201	0.4
247.06061	1.4
249.03790	0.4
249.07666	0.9
259.05972	7.9
268.21725	0.5
271.06012	4.1
273.07462	0.6
276.72726	6.4
277.22913	1.7
283.05945	0.8
285.24112	0.5
289.07117	1.0
291.08765	0.8
291.12006	0.9
299.05630	0.5
301.07037	23.9
302.07431	0.4
308.23276	0.4
308.26733	0.4
309.21786	0.5
309.25272	0.5
313.06989	13.1
317.06512	4.5
317.10007	0.6
323.09174	0.4
325.06940	1.6
326.27939	5.0
327.28357	0.8
331.25446	1.5
331.74786	1.5
335.07651	0.4
336.22711	3.5
337.20981	2.3
339.76746	1.7
340.25958	6.9
340.76047	1.8
343.08072	41.2
343.30588	10.9
344.08411	1.1
344.30945	1.7
380.80832	1.6
381.30881	0.5
389.81116	29.1
390.31296	9.1
393.09561	0.9
394.78705	0.9
398.32535	0.5
407.29248	0.5
411.10745	6.0
434.34949	0.4
435.10788	2.9
435.33008	2.7
435.83655	0.4
444.29041	0.4
444.33759	18.4
444.83914	8.5
452.36017	3.2
453.11749	4.7
453.17374	3.4
453.34387	33.8
453.84454	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	453.1387
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03936	1.1
55.01869	1.3
56.96561	1.3
57.03428	1.2
58.75961	0.3
61.02926	2.2
65.03927	0.8
67.05485	1.2
68.99768	1.4
69.03423	6.9
70.06581	0.4
71.01338	0.4
71.04996	0.8
71.11906	0.3
71.62758	0.4
71.63141	0.3
73.02889	0.9
81.03409	2.9
81.07024	0.4
83.04972	1.0
84.08150	0.3
84.96031	0.5
85.02898	19.5
86.43166	0.3
87.04447	0.9
88.83218	0.3
91.03935	0.8
91.05479	1.4
93.03393	1.4
95.04958	2.2
97.02879	6.2
98.97527	0.6
99.04440	1.1
103.03922	0.3
105.03378	0.7
107.04959	1.4
109.02858	2.3
111.00787	0.5
111.04433	2.7
119.04922	3.5
120.98083	0.3
121.02866	0.5
123.04420	56.9
124.04770	1.0
127.03907	5.2
128.29572	0.3
133.06483	0.3
135.04398	3.2
137.02293	0.6
137.05948	1.1
139.03889	100.0
140.04262	1.3
143.04898	0.9
144.13818	0.4
145.02853	0.6
145.04950	2.7
147.04395	15.3
148.04840	0.4
151.03894	4.0
153.01851	0.3
153.05420	2.1
155.11777	0.8
161.05971	2.6
163.03906	5.1
163.07532	0.4
165.05464	14.8
169.04933	1.3
169.06305	0.4
169.10219	0.3
177.05472	1.3
179.07018	1.1
181.04965	1.1
185.06013	0.3
189.05432	1.4
193.00166	0.4
197.01151	1.0
203.07097	0.3
205.04939	1.1
207.06482	2.4
213.05334	0.3
215.02190	0.4
229.05003	0.6
231.06532	0.7
247.06059	0.8
249.07565	0.5
253.03877	1.0
255.01607	0.6
257.04022	0.4
273.07547	4.9
273.12268	0.5
283.08170	0.4
291.08621	17.5
291.13443	1.0
292.08997	0.7
315.08554	0.5
327.98083	0.3
345.02847	0.4
353.05481	0.5
363.03833	0.3
381.04895	0.6
423.28186	0.3
447.55630	0.3
453.13712	1.2
454.14594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1385
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03926	0.8
54.17649	0.5
54.71639	0.7
55.01855	1.3
56.96539	1.3
57.03421	1.1
58.32734	0.6
61.02907	2.0
65.03938	0.8
67.05487	0.9
68.99757	1.1
69.03427	7.1
71.01374	0.6
71.04979	0.8
71.60344	0.6
73.02882	0.9
75.12165	0.5
79.05493	0.6
81.03412	2.6
83.01322	0.9
83.04977	0.9
85.02898	20.6
87.04449	0.7
89.07161	0.9
91.03921	1.0
91.05462	2.1
93.03382	0.9
95.04967	1.8
97.02889	6.5
99.04436	0.8
100.69664	0.6
107.04948	1.6
109.02889	3.0
111.04430	3.2
112.35890	0.6
119.04941	5.9
123.04417	55.8
124.04757	0.8
127.03900	7.3
131.75212	0.6
135.04408	3.5
137.02321	0.7
137.05969	0.7
139.03889	100.0
140.04239	1.2
145.02867	0.6
145.04985	3.0
147.04393	20.0
148.04736	0.9
151.03894	4.1
151.07498	0.7
153.05447	2.2
161.05962	2.8
163.03929	4.6
163.07455	0.6
165.05458	15.1
169.04993	1.2
177.05478	0.6
179.06984	1.1
181.04893	0.9
189.05598	1.4
191.03406	0.8
197.01176	0.8
205.05093	0.5
207.06532	2.1
241.52696	0.6
255.01891	1.0
257.04398	0.7
273.07529	4.8
291.08606	13.9
301.03717	0.7
314.00836	0.6
413.38937	0.6
453.13733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05506	8.2
57.07057	1.4
58.23532	1.2
60.08154	1.7
67.05492	10.5
69.03400	2.9
69.07066	7.4
70.12925	3.8
71.01316	2.1
71.04981	1.5
71.93230	1.2
79.05479	10.2
81.07048	21.7
83.04942	3.1
83.08588	3.8
84.68758	1.2
85.02869	1.9
85.06507	3.9
86.09698	10.3
87.10016	2.9
91.05468	15.3
93.06451	1.9
93.07024	22.5
95.04951	2.5
95.08596	25.8
96.37694	1.3
97.06491	3.2
97.10149	1.8
99.04379	1.6
99.08107	7.5
100.11211	1.6
104.10748	1.4
105.06370	2.2
105.07022	28.4
107.04933	3.1
107.08581	33.9
109.06509	6.8
109.10121	11.0
111.08056	2.5
113.05892	1.3
117.06974	5.7
119.08569	54.5
120.08842	1.3
121.06481	15.6
121.10123	24.0
123.08034	4.6
123.11665	3.6
123.30261	1.3
125.00011	10.2
125.05949	1.4
126.00323	1.3
127.07543	2.8
128.06172	3.5
129.06963	5.3
130.07767	1.4
131.08559	26.0
133.06451	4.5
133.10109	28.3
135.08046	12.8
135.11684	15.8
137.05923	3.2
137.09598	2.6
137.49011	1.2
139.11096	1.5
142.07756	4.0
143.08554	10.4
145.06439	2.7
145.10106	38.1
146.07289	1.4
147.04279	1.3
147.08052	10.5
147.11676	22.2
149.09601	2.7
149.13242	9.5
151.07492	4.9
155.08513	4.2
156.09279	3.0
157.10118	16.9
158.07204	2.6
158.10916	2.9
159.08043	13.4
159.11661	25.1
161.09610	18.5
161.13240	15.0
163.07472	1.7
163.11124	3.7
163.14778	5.9
167.08478	1.4
169.10112	6.9
170.10893	2.0
171.08015	2.5
171.11664	12.2
172.08765	4.3
173.09601	19.4
173.13226	23.4
174.10197	1.6
175.11188	12.0
175.14841	14.1
177.09093	4.7
177.12729	8.6
177.16357	4.5
179.14311	2.6
181.10095	1.5
183.11641	8.4
184.07323	31.7
184.08913	2.1
185.07611	12.3
185.09564	14.5
185.13229	18.5
186.10358	3.4
187.11194	17.0
187.14804	42.4
189.12729	30.3
189.16374	9.8
191.14253	3.9
195.11575	3.9
195.13797	1.7
197.09569	1.6
197.13185	4.9
198.10323	1.7
199.11153	14.0
199.12941	1.8
199.14790	10.9
201.12743	20.7
201.16360	23.8
203.10587	5.1
203.14343	7.5
203.17908	4.7
205.12204	5.4
205.15828	1.9
207.11681	2.1
207.13763	3.4
211.14801	4.0
213.12703	9.8
213.16205	6.6
215.14293	100.0
215.17722	4.2
216.14507	1.4
217.12172	1.8
217.15863	4.7
219.13721	3.5
219.17416	1.9
221.15300	2.7
223.16817	1.9
225.12643	2.0
225.16302	3.0
227.14214	4.0
227.17900	3.1
229.15845	3.7
231.13771	3.7
233.15245	4.4
237.16272	1.8
239.14287	2.6
241.15807	2.5
243.17375	3.3
245.15494	7.8
245.17900	1.2
247.16928	3.2
253.19461	2.1
255.17377	2.1
259.16882	2.2
267.17297	2.7
271.16812	3.2
279.17249	1.9
281.18887	1.8
294.50476	1.5
301.21579	1.4
313.80417	1.6
319.20468	3.3
335.23495	5.4
365.24536	1.8
371.27298	3.2
389.28320	26.4
391.30042	2.1
407.29395	65.5
409.30859	3.8
417.27762	3.0
435.28830	14.9
453.16956	4.5
453.29733	43.0
453.35461	2.3
453.84406	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.05506	12.9
57.03407	1.9
63.61723	1.7
65.03938	1.8
67.05494	17.7
69.03423	88.5
69.07068	9.6
70.82200	4.0
70.82541	1.5
79.05062	1.7
79.05481	20.6
80.10592	1.4
81.03384	3.2
81.07045	32.5
83.04949	4.3
83.08597	8.1
85.06517	2.7
91.05473	19.4
93.07035	28.0
95.04971	11.3
95.08038	2.6
95.08593	33.5
97.06483	2.0
97.10128	3.1
98.21149	2.2
99.03829	2.9
99.04446	49.3
99.08056	1.9
100.05250	1.3
105.06388	2.6
105.07019	37.3
107.04926	3.0
107.07867	2.1
107.08585	38.7
109.02858	2.0
109.06498	8.3
109.10143	19.4
111.04420	5.5
111.08036	2.9
115.05456	2.2
116.98582	1.6
117.06992	11.0
119.08569	45.1
121.06489	10.1
121.10120	18.6
121.34702	1.5
123.08031	6.5
123.11685	6.8
125.09611	3.0
128.06145	3.7
129.06946	5.8
130.07713	1.7
131.08542	28.0
133.06474	4.7
133.09221	2.5
133.10115	31.9
134.22430	1.6
135.08037	18.6
135.11635	8.7
137.09573	4.3
141.06915	4.2
142.07787	7.3
143.08540	19.1
144.09311	2.7
145.06450	4.2
145.09038	2.3
145.10112	36.0
146.07243	2.3
147.08022	24.8
147.11685	22.6
149.09627	8.1
149.13254	7.4
151.11127	7.0
153.06892	2.4
155.08524	7.6
156.09274	5.3
157.10126	18.0
158.10863	4.0
159.08057	14.1
159.11665	30.1
161.09604	40.1
161.12167	1.6
161.13268	18.7
163.03893	3.2
163.07457	1.7
163.11134	3.7
163.14775	2.6
165.06902	1.7
165.12749	2.1
167.08510	4.6
168.09294	3.4
169.10092	12.3
170.10802	2.4
171.08008	4.5
171.11658	17.9
172.08775	3.5
173.02296	3.7
173.09593	11.7
173.13261	20.5
174.10367	2.1
175.11143	16.4
175.14803	13.3
177.12686	5.1
179.08406	2.8
179.14282	3.6
181.10025	4.4
182.10823	3.8
183.11664	13.6
184.12279	2.0
185.09569	5.2
185.13234	12.4
186.10307	4.6
187.11113	7.0
187.14757	16.1
188.11902	3.7
189.12730	18.0
189.16351	5.3
191.14265	4.5
193.10030	1.9
193.12138	4.1
195.11629	5.9
197.13220	12.7
199.11159	13.2
199.14844	11.5
201.12718	31.1
201.16357	8.0
203.14290	100.0
205.12135	2.3
205.15871	4.7
207.11641	4.1
207.13652	3.3
209.09612	1.5
209.13197	5.3
211.11078	4.4
211.14761	4.9
211.93764	1.6
213.05446	2.6
213.12689	6.7
213.16412	2.9
215.14294	20.6
217.15863	47.3
218.16290	1.6
219.13733	11.4
221.13173	3.0
221.15231	4.4
223.14645	1.9
225.12674	3.6
225.16316	3.6
227.14223	4.8
227.18001	2.6
229.15834	5.5
233.13292	2.3
233.15332	12.4
235.11183	2.0
235.14819	3.0
237.02614	4.1
239.17834	2.6
243.17368	3.2
245.15375	3.6
247.14667	2.5
247.16937	2.4
251.17963	1.9
253.15897	3.4
253.19429	2.0
255.17522	3.8
267.17389	6.3
269.18863	2.6
273.18613	2.6
279.03809	2.4
291.19586	2.0
317.22653	2.5
319.20477	1.8
319.24194	3.6
329.22601	3.8
335.23566	2.5
337.21375	1.8
337.25204	24.3
355.25955	2.1
363.22797	2.0
365.20984	4.0
387.26593	5.3
389.28107	5.2
399.26691	4.4
405.27734	7.4
407.29297	4.9
407.33502	3.4
417.22473	1.9
417.27838	16.2
423.28638	2.0
435.22345	2.8
435.28696	30.9
453.29764	95.0
454.30200	3.2
461.04385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05501	6.8
57.03404	1.4
57.07061	2.4
64.91866	1.0
65.03925	1.1
67.05164	1.2
67.05496	14.4
69.07059	10.9
71.21600	2.0
71.21974	1.0
75.47163	1.2
79.05484	20.6
81.07047	22.8
83.04962	2.5
83.08608	4.2
85.02895	3.0
91.05468	11.8
93.07029	23.1
95.04939	3.3
95.08591	53.3
97.06522	2.5
97.10159	1.6
98.21053	1.7
100.11273	2.0
101.05981	1.6
105.07008	23.5
107.08578	67.5
109.06487	2.7
109.10143	30.8
114.70098	1.1
117.07008	2.3
119.08564	41.4
121.06489	1.6
121.10120	36.7
123.08066	3.3
123.11723	5.9
129.06935	1.8
131.08575	8.3
133.10109	32.5
135.08037	26.9
135.11655	14.3
137.09612	3.2
137.13208	5.6
142.07730	2.0
143.08549	3.3
145.10088	12.4
147.07997	1.4
147.11665	20.8
149.08499	1.1
149.09596	4.5
149.13242	22.2
149.14359	2.0
151.07590	1.7
151.11165	2.4
151.14775	1.6
157.10106	4.7
158.10855	1.5
159.11679	12.9
160.21771	1.1
161.09586	5.6
161.13239	22.3
163.11191	3.9
163.14781	12.4
171.11725	3.8
173.09673	1.9
173.13258	8.2
175.11156	7.1
175.14804	29.3
176.15256	1.7
177.12715	3.7
177.16354	9.1
177.42409	1.2
179.10641	6.6
183.11636	2.0
185.13254	3.8
187.11171	1.6
187.14809	14.6
189.12737	2.4
189.16345	16.9
191.14294	5.2
191.17905	7.5
193.12224	2.5
193.15889	4.4
197.13335	1.5
199.14832	3.8
201.12880	1.7
201.16307	7.0
203.14273	27.1
203.17926	39.1
204.15088	2.7
205.12138	1.3
205.15863	12.0
205.19409	1.4
213.16322	3.0
215.14377	1.5
215.17924	3.6
217.15894	5.3
217.19603	1.8
219.17372	2.1
221.15332	100.0
222.15593	2.8
229.15874	3.1
229.19435	4.0
231.17378	3.0
233.15480	1.3
233.18996	2.2
235.16898	4.3
241.19574	1.2
247.16991	2.8
249.18481	2.5
269.22757	1.7
283.24277	1.3
293.22552	1.5
301.25229	1.5
311.23489	7.0
329.24692	27.8
355.26389	2.4
389.32217	2.1
407.33105	19.9
408.33463	1.3
425.34079	68.6
426.34381	3.7
435.32654	4.4
449.43777	1.2
453.33704	33.1
454.34235	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.3
55.05508	13.0
56.93128	2.2
57.07063	4.2
60.99382	1.9
67.05499	25.0
69.07062	15.2
69.96124	10.7
79.05486	15.9
81.07047	48.5
83.04970	13.2
83.08604	9.2
91.05460	23.6
93.06459	3.3
93.07035	49.5
95.04951	6.7
95.08591	63.5
97.06499	3.0
97.10137	5.1
105.07024	64.8
107.07849	4.4
107.08581	64.0
108.08887	2.0
109.06505	6.9
109.10145	41.6
111.08036	7.4
112.97532	2.1
117.07018	12.1
119.08572	81.5
121.10123	54.9
123.08067	6.0
123.11679	20.4
125.09621	8.7
128.06197	3.5
129.06969	6.5
131.08551	26.1
133.10115	56.4
135.08014	5.3
135.11674	23.6
137.09592	4.6
137.13217	2.5
142.07762	3.8
143.08554	15.8
144.09305	3.6
145.10107	100.0
146.10464	1.9
147.11671	31.8
149.09592	5.2
149.13234	13.1
151.07578	2.4
151.11154	6.4
153.09111	3.7
156.09352	4.3
157.10129	20.6
158.10825	3.1
159.08089	2.7
159.11665	68.5
161.09622	6.2
161.13223	21.3
163.11134	4.0
163.14816	13.6
165.12730	2.1
169.10097	11.3
170.10994	4.2
171.11653	16.0
173.13239	33.6
175.11116	2.3
175.14798	33.0
177.09180	2.8
177.12761	3.4
177.16348	12.9
179.08531	2.8
181.10098	3.7
183.11720	12.2
185.13245	12.0
187.14807	50.8
188.15172	3.3
189.12669	4.0
189.16354	38.9
191.14323	12.7
191.17931	16.8
193.15912	2.5
195.11682	4.6
197.13208	7.0
199.14804	16.9
201.16365	56.3
202.16553	2.6
203.14307	5.9
203.17963	20.4
205.15842	57.0
205.19556	3.7
207.11826	2.7
207.17546	4.1
208.12386	3.2
209.13165	7.5
210.18468	4.8
211.14789	7.9
213.16385	23.8
215.17914	27.1
217.15822	9.6
217.19400	4.0
219.17401	36.4
220.17805	2.4
221.15404	3.8
223.14713	6.5
225.16335	3.6
227.17926	6.4
229.15950	4.8
229.19437	3.2
231.17368	2.7
233.19023	6.4
235.14862	3.2
235.16934	14.8
237.16417	4.6
239.17914	3.9
241.19496	6.0
243.21109	5.5
247.16924	9.8
249.18549	3.5
251.17914	8.3
253.19490	3.8
255.21046	3.2
259.16718	3.1
261.18500	8.4
265.19467	3.7
267.21030	9.6
293.22586	2.4
301.61749	2.2
311.23602	2.7
319.24371	2.6
387.26666	2.8
389.31934	7.7
399.26505	5.4
407.33017	64.8
408.33237	3.1
409.34369	6.4
417.27786	9.6
435.27289	4.8
435.33206	11.0
453.33963	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03929	2.1
55.05500	8.1
56.19007	1.9
57.07071	2.7
61.57965	1.9
65.50803	1.7
66.25726	1.7
67.05502	9.1
69.07063	12.5
69.52547	13.5
79.05480	7.7
81.07041	19.9
83.04942	2.2
83.08613	6.3
84.43089	1.5
91.05463	11.3
93.07026	25.2
94.34364	1.7
94.90994	1.8
95.08595	41.8
96.67355	1.7
97.06484	2.0
97.10170	3.1
99.08118	2.6
105.07018	26.1
107.07858	2.6
107.08579	51.1
109.10137	22.1
111.08063	3.4
117.07005	7.1
119.08566	71.7
121.10130	41.5
123.08057	2.8
123.11674	6.3
131.08568	18.8
133.10114	45.3
135.07983	3.0
135.11688	19.3
137.09595	3.1
137.13222	2.1
143.08522	7.9
144.09305	3.6
145.10107	54.2
147.11662	22.3
149.09586	2.2
149.13252	13.6
151.11272	2.0
156.09286	2.3
157.10095	5.9
158.10841	3.0
159.11673	42.2
161.13235	20.5
163.07584	2.5
163.11195	14.2
163.14847	8.9
170.10924	2.2
171.10330	1.8
171.11661	9.4
172.12453	2.8
173.13237	26.5
175.14799	24.9
177.12697	5.9
177.16367	26.1
183.11708	4.8
185.13245	10.3
186.14056	2.5
187.14804	45.6
187.16429	3.1
189.16357	62.7
191.17950	5.4
192.81302	1.7
197.13312	2.3
199.14743	8.7
201.16364	79.3
203.17934	17.3
205.15854	100.0
207.17432	7.0
211.14864	3.7
213.16312	9.1
215.14359	2.1
215.17950	6.7
217.15848	2.5
219.17424	6.8
223.16965	6.4
225.16397	2.4
227.17979	7.2
229.15913	2.5
231.17520	5.3
241.19469	2.9
245.19034	3.2
247.16939	17.2
256.15833	2.1
389.31961	6.2
399.21335	1.7
407.33069	55.0
408.33362	2.5
409.34625	5.8
414.15155	2.3
423.32745	2.4
425.34210	2.5
435.32608	21.6
453.28027	2.1
453.33698	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	3-Oxo-11,13(18)-oleandien-28-oic acid
Peak:m/z	Relative Intensity
50.53236	1.2
51.06421	1.0
55.05492	8.5
57.07063	2.0
59.04980	1.1
65.03947	1.4
67.05495	11.6
69.07056	11.4
69.63629	8.8
71.08595	1.3
78.27697	1.3
79.05477	9.1
81.07047	32.4
83.04977	3.2
83.08607	4.2
91.05471	15.3
93.07024	28.6
95.04954	7.0
95.08592	58.9
97.06525	2.7
97.10161	3.4
98.20797	2.7
105.07015	44.9
107.08576	44.0
109.06520	3.6
109.10143	32.4
109.10889	1.2
111.08071	3.0
117.06306	1.1
117.06964	6.3
119.08566	59.8
121.06483	3.4
121.10126	29.5
121.86867	1.2
123.08035	3.0
123.11654	8.1
125.09646	3.7
126.52568	1.2
129.06972	3.6
130.07782	1.3
131.08546	25.7
133.10109	38.6
135.08049	3.1
135.11670	15.3
137.09637	3.9
137.13232	1.5
141.06909	1.2
142.07790	2.3
143.08580	5.3
144.09349	4.0
145.10100	44.7
147.08054	1.3
147.11667	33.4
149.09515	2.2
149.13240	16.5
151.11150	2.0
153.09044	2.5
156.09334	1.4
157.10124	11.0
158.10893	2.1
159.11670	34.9
159.12991	1.8
161.09613	3.6
161.13220	21.1
163.11237	4.2
163.14792	14.2
167.10725	2.0
169.10254	1.4
171.11601	5.6
173.13248	24.8
174.17592	1.3
175.11160	4.5
175.14798	61.5
176.15259	1.3
177.12750	3.7
177.16359	17.7
179.10686	1.9
179.14307	2.2
183.11658	1.9
184.12350	1.5
185.13226	7.7
186.13914	1.4
187.14795	51.2
189.16351	36.5
191.14313	3.9
191.17915	11.2
193.12263	4.9
193.15842	1.7
197.13144	1.8
199.14795	13.5
201.16357	29.8
203.14316	6.6
203.17932	59.7
204.18408	1.4
205.15903	16.5
205.19447	11.5
207.13728	2.6
207.17380	3.2
211.14948	2.0
213.16382	12.1
215.14336	1.4
215.17891	9.4
217.15924	7.7
217.19380	1.6
219.17361	6.3
221.15289	7.5
221.18929	1.5
225.16350	1.9
227.17947	3.7
229.15720	1.3
229.19510	7.4
231.17413	6.1
231.20993	7.9
233.18964	3.5
235.16937	3.9
239.17944	2.2
239.83537	1.3
241.19493	3.4
245.18929	1.6
247.16939	5.8
249.18494	7.2
259.20566	2.2
261.18396	2.2
266.18265	1.1
267.21204	1.3
275.20142	1.6
281.22476	1.4
283.24118	2.3
343.26202	1.9
377.31946	3.4
378.64664	1.2
389.31903	10.2
395.29324	1.4
407.33047	30.2
409.34735	2.1
418.58102	1.3
425.34058	18.2
425.39490	2.1
435.32581	9.6
453.33609	100.0
454.34131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03921	1.3
55.05494	10.3
57.07061	2.3
65.03916	2.0
67.04062	1.0
67.05490	19.0
69.06746	1.5
69.07063	11.6
69.64480	7.7
79.05482	15.3
81.07046	36.8
83.04973	9.8
83.08602	6.7
91.05457	17.0
93.07032	30.5
95.04971	7.5
95.08593	76.5
97.06499	2.9
97.10134	2.1
98.20731	2.1
98.21309	3.4
105.07018	50.1
107.04974	1.1
107.07854	2.6
107.08576	53.3
109.06496	4.2
109.10137	52.1
111.08008	2.8
113.86018	1.2
117.07020	5.7
119.08569	60.8
121.06480	1.4
121.09303	2.1
121.10129	33.2
123.08078	3.1
123.11698	12.9
124.86471	1.2
125.09615	5.1
129.07002	3.7
130.07767	1.6
131.08549	28.2
133.06487	1.4
133.10115	50.6
135.08017	4.2
135.11676	21.8
137.13237	3.2
139.07509	1.3
142.07753	1.5
143.08519	7.5
144.09312	2.3
145.10098	42.9
146.10895	1.2
147.08122	1.9
147.11664	43.0
149.09579	3.8
149.13243	13.1
151.11111	2.7
153.09059	4.5
155.08569	1.5
156.09344	2.4
157.10107	10.5
158.10835	1.4
159.08081	1.2
159.11671	26.4
160.12190	1.6
161.09601	3.5
161.13220	20.2
163.11134	2.5
163.14804	11.6
167.10637	1.4
169.10120	1.9
170.10834	2.3
171.11609	7.5
173.13243	26.4
173.14691	2.3
175.11182	5.0
175.14793	42.6
177.09224	1.4
177.12737	3.7
177.16371	17.8
179.10741	1.6
185.13246	9.1
187.14796	38.9
189.16347	24.6
191.14218	6.6
191.17848	8.8
193.12190	3.7
193.15883	1.7
197.13152	1.5
199.14844	9.0
201.12823	1.1
201.16338	20.5
203.14330	11.0
203.17924	57.3
205.15831	23.9
205.17535	2.3
205.19467	18.1
207.17433	2.1
209.15414	1.1
211.14856	3.6
213.16353	5.6
215.17865	6.6
217.15828	5.3
217.19469	1.6
219.17441	6.4
221.15305	6.7
225.16309	1.7
227.17926	2.8
229.15770	1.6
229.19571	2.9
231.17455	3.9
231.20915	5.4
233.19041	1.5
233.22705	1.5
235.16953	4.3
241.19397	1.9
247.16846	8.2
249.18417	7.3
253.19547	1.2
261.18561	3.1
267.20990	1.5
293.22635	1.6
311.23599	2.4
377.31989	1.5
389.32080	6.8
407.33014	24.5
423.32584	2.3
425.34055	9.4
426.34161	1.5
435.32697	8.2
453.33603	100.0
454.33945	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	453.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.05299	1.8
55.05511	21.8
57.07071	3.7
57.07332	2.1
67.05496	23.8
69.07059	14.4
70.89072	4.3
70.89428	3.1
79.05478	16.2
81.07051	46.4
83.04974	100.0
83.08627	6.5
88.44680	2.2
89.50154	1.9
91.05468	22.7
93.07037	52.9
95.04963	20.0
95.08599	75.5
97.10155	3.6
99.16438	1.9
102.09176	1.9
102.31450	2.0
105.07021	64.6
107.08589	67.7
109.06523	6.3
109.10143	36.2
111.08072	5.7
117.07001	6.7
119.08570	76.3
120.85308	1.7
121.06497	2.3
121.10136	48.3
123.08066	13.1
123.11702	15.6
125.09604	12.5
129.06935	2.1
131.08571	25.1
133.10121	50.7
135.11687	24.9
137.09601	3.2
137.13243	3.2
143.08553	5.8
144.09256	4.5
145.10097	40.8
147.11676	44.8
149.09619	2.6
149.13243	20.3
151.11183	3.4
153.09088	2.9
155.08586	2.4
157.10130	11.0
159.11687	51.9
161.09578	2.9
161.13251	51.0
163.14795	19.1
169.10083	2.2
171.11644	10.2
173.13237	23.0
175.14818	24.9
177.09224	2.6
177.16373	18.7
183.11655	3.4
185.13261	6.9
187.14799	33.9
189.16365	54.5
191.14388	2.9
191.17960	14.5
193.16019	2.5
197.13319	2.3
199.14798	13.0
201.16373	67.7
203.14334	3.2
203.17955	34.4
205.15883	17.0
205.19585	2.6
207.17427	2.5
213.16383	13.6
215.17931	23.2
217.15878	27.1
219.17451	17.0
225.16470	2.2
227.17903	4.3
229.15942	3.0
229.19547	4.7
231.17496	8.9
233.19052	4.6
235.16925	11.5
239.17957	2.4
241.19539	5.8
243.21037	4.7
245.18944	3.5
247.16934	13.8
249.18547	6.1
255.21182	2.9
259.16748	2.2
261.18399	13.5
267.20853	2.5
277.79056	2.1
283.24124	3.9
301.21881	2.5
302.74554	2.1
313.21362	2.1
325.28973	4.4
349.28879	7.6
357.27869	7.9
371.29529	3.3
389.31873	9.7
395.29556	13.9
405.57935	2.0
407.33090	40.8
409.34659	2.5
430.84796	2.0
435.32574	13.3
453.33636	70.5
454.33786	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	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03928	2.8
55.05500	17.3
55.40751	2.7
57.07075	4.2
65.03938	3.0
67.05496	21.9
69.07056	13.0
70.89154	7.1
79.05490	15.9
81.07053	53.9
83.04974	100.0
83.08603	7.8
91.05477	19.7
93.07036	46.5
95.04979	20.4
95.08601	92.2
97.06482	2.9
97.10184	3.3
98.69209	2.7
105.06364	5.1
105.07027	61.5
107.08588	71.1
107.09282	5.6
109.06506	8.2
109.10155	45.0
111.08075	8.5
111.11790	3.1
117.07004	7.6
119.08569	77.9
120.08974	2.8
121.10136	46.9
123.08057	13.4
123.11691	15.5
125.09606	7.1
131.08557	26.8
133.10115	58.8
135.08089	3.9
135.11678	31.1
143.08595	7.1
145.10103	49.9
147.11679	43.3
149.13243	19.6
151.11092	3.4
153.09174	4.9
157.10126	11.3
159.11682	56.0
161.13248	45.2
163.07510	3.6
163.11258	3.1
163.14827	13.4
169.10094	2.9
171.11705	9.6
173.13229	23.8
175.11159	2.7
175.14815	20.7
177.09123	6.3
177.16380	14.0
183.11725	5.1
185.13246	5.3
187.14784	25.9
189.16386	39.8
191.14345	3.6
191.17896	22.1
199.14799	10.6
201.16364	58.1
203.14352	5.5
203.17944	25.5
205.15884	20.8
205.19591	6.7
213.16315	12.1
215.17915	29.4
216.74644	2.8
217.15932	12.7
219.17404	20.6
227.17982	4.4
229.15948	7.4
229.19446	6.5
233.18959	2.9
235.16930	8.0
241.19504	7.5
243.20982	4.1
247.16919	27.1
249.18536	5.2
251.17929	2.9
253.19495	4.7
255.21371	3.5
261.18433	15.2
267.06647	2.4
267.21155	2.9
269.22607	3.4
283.24216	4.1
287.19986	3.5
293.22565	3.2
311.23761	6.0
325.28873	3.6
329.24713	2.6
349.28976	4.8
350.24533	3.2
357.27859	6.2
371.29489	4.8
371.97858	2.7
389.31967	9.6
395.29422	13.5
407.33081	39.9
435.32553	12.0
453.33664	68.2
454.34006	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	453.3359
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05499	5.0
57.03442	0.7
57.07050	2.6
63.45768	0.6
63.80280	0.6
67.05491	5.4
69.06717	0.8
69.07062	9.0
69.64774	5.0
72.64462	0.6
74.19802	0.6
78.45225	0.7
79.05492	4.8
81.07043	12.4
83.04964	1.9
83.08611	5.3
91.05473	6.4
93.07028	14.8
95.04930	1.6
95.08593	23.6
96.08904	0.8
97.06505	1.4
97.10148	1.5
98.20876	1.7
98.21461	1.3
99.08035	0.7
105.07007	19.0
107.07851	1.4
107.08581	31.3
109.06490	1.8
109.10137	13.8
111.08063	1.9
117.06972	3.3
119.08566	35.3
121.06539	1.0
121.10127	26.7
121.91032	0.7
123.08040	1.1
123.11681	5.2
124.24790	0.7
124.66399	0.6
125.06010	0.8
125.09611	1.1
127.07511	1.2
128.06216	0.8
129.07025	1.6
131.08543	12.9
133.10115	29.7
135.08043	1.8
135.11676	13.0
137.09561	1.5
137.13219	2.0
143.08540	2.7
144.09328	1.1
144.13791	0.7
145.10097	28.9
147.08102	0.8
147.11665	16.1
149.09599	1.8
149.13231	6.8
151.11143	2.5
151.14827	0.7
157.10114	3.9
158.10922	1.3
159.11679	18.7
161.09492	1.1
161.13234	11.3
163.11159	9.4
163.14795	8.3
165.12718	0.7
169.10071	1.1
171.11662	5.1
172.12360	0.7
173.13237	13.3
174.13644	0.6
175.11186	1.4
175.14798	22.8
177.12738	1.9
177.14758	1.1
177.16350	27.3
183.11623	1.8
185.13216	6.0
187.14798	35.4
188.15103	1.6
189.16359	33.3
191.14212	1.3
191.17909	5.1
197.13271	1.8
199.14737	4.7
201.16354	70.8
202.16652	2.3
203.14354	1.0
203.16005	0.7
203.17926	18.3
205.15849	100.0
206.16203	3.4
207.17416	8.4
211.14845	1.2
213.16391	3.6
215.14288	1.8
215.17946	4.4
217.15781	1.9
217.19518	1.5
219.13791	0.8
219.17418	6.0
221.15358	1.0
223.16876	0.9
225.16270	0.8
227.17937	2.2
229.15868	2.0
229.19478	2.6
231.17375	2.3
233.18965	2.6
241.19519	0.8
243.21304	1.1
245.15416	1.2
247.16904	13.6
249.18532	1.3
253.19202	0.7
255.20996	1.5
259.16840	1.2
259.20392	1.1
260.88507	0.7
269.22800	0.7
273.35721	0.8
362.39847	0.7
379.33206	1.0
389.27582	0.7
389.32001	4.7
395.29553	1.5
407.33051	43.1
408.33270	2.3
409.34402	2.9
417.31281	1.3
425.34097	2.8
435.27457	1.3
435.32632	10.4
453.33817	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	453.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05502	6.1
57.07060	2.5
61.30470	0.7
62.74296	0.6
65.03927	0.8
65.91075	0.9
67.05495	9.6
69.06705	1.4
69.07053	11.8
69.33315	7.7
69.98988	0.7
79.05467	6.6
81.07046	18.6
83.04987	4.0
83.08614	6.4
91.04938	1.5
91.05455	10.6
93.07028	20.1
95.04948	2.1
95.08595	32.3
97.06502	1.1
97.10156	1.9
98.20599	0.8
105.06291	0.9
105.07015	26.3
107.08579	38.3
109.06483	1.9
109.10141	15.8
111.08068	2.3
111.11719	1.6
117.06971	4.8
117.62737	0.7
119.08564	45.9
121.06509	1.1
121.10122	32.0
123.08024	2.3
123.11699	9.2
125.05974	0.9
125.09666	1.3
128.06166	1.0
129.07040	1.1
130.07727	1.2
131.08546	16.5
133.10110	34.7
135.08031	3.0
135.11673	15.7
137.09607	1.7
137.13251	2.3
143.08543	4.2
144.09322	1.6
144.31032	0.9
145.10104	38.9
146.10474	1.4
147.11668	16.4
147.12779	1.3
148.12091	0.9
149.09599	2.4
149.13226	11.5
151.07463	1.2
151.11153	1.1
153.09106	0.9
155.08513	1.0
157.10104	4.7
158.10912	1.7
159.11674	25.4
161.09668	1.6
161.13220	14.2
163.11142	9.7
163.14816	6.7
163.45810	0.7
165.12733	1.9
167.10655	0.9
169.10085	1.4
170.10910	0.9
171.11668	5.5
172.12434	1.4
173.13235	17.1
175.11189	2.9
175.14795	32.1
177.09058	0.9
177.12756	2.3
177.16367	31.2
178.16701	1.0
179.14233	1.3
183.11700	2.2
184.12531	1.3
185.13217	7.1
186.14000	1.3
187.14799	38.4
188.15070	1.0
189.12735	1.9
189.16344	20.4
190.13466	3.8
191.14243	1.6
191.17917	3.5
193.15862	1.5
195.11638	0.8
197.13260	1.5
199.14790	5.5
201.16353	74.9
202.16660	2.4
203.14308	3.5
203.17932	18.6
205.15851	100.0
206.16199	3.0
207.17404	5.3
211.14790	2.2
213.16341	6.3
214.16972	0.9
215.14330	2.6
215.17900	6.4
217.15894	3.1
217.19513	1.9
219.13817	1.0
219.17448	6.3
221.15437	1.8
225.16354	1.5
227.17967	2.1
227.73441	1.0
229.15802	1.5
229.19481	3.1
231.17418	3.5
233.15344	1.3
233.18930	2.5
235.16827	1.6
237.16347	1.2
239.17949	2.1
241.19351	1.7
243.21111	1.3
247.16908	9.6
249.18327	0.9
253.19414	1.7
255.21117	1.6
259.16898	1.6
261.18387	1.0
267.20959	1.3
347.27188	1.3
351.92545	1.0
389.32089	6.1
407.33041	46.0
408.33344	2.8
409.34827	2.7
423.32047	1.2
425.34012	1.8
435.32635	15.9
453.33871	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	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03933	1.7
55.05500	13.4
57.07060	5.8
57.15016	1.4
58.46760	1.2
59.04979	1.7
65.03951	1.6
67.05494	19.0
69.07052	20.1
70.81939	2.4
70.82303	3.2
71.27718	1.3
74.38493	1.2
79.05480	17.2
81.07044	35.3
83.04955	5.4
83.08610	11.9
91.05461	18.5
93.07027	47.1
93.07619	2.6
95.04964	3.9
95.08594	75.4
96.08893	1.7
96.78577	1.5
97.06500	3.6
97.10159	4.0
99.08092	1.5
105.07014	41.9
105.48678	1.2
107.04970	2.5
107.08577	80.9
108.08849	1.5
109.06497	3.1
109.10137	43.6
111.08060	5.8
115.05425	2.3
117.07008	7.7
119.08563	91.5
120.08863	1.9
121.06486	5.4
121.10124	63.6
123.08070	6.5
123.11685	17.6
125.05909	1.5
125.09605	4.2
128.06186	1.3
129.06993	4.6
130.07739	2.7
131.08556	26.3
133.10109	66.6
135.08049	12.4
135.11674	40.5
137.09596	3.8
137.13252	7.0
138.35410	1.4
139.07483	1.8
142.07755	1.7
143.08527	10.7
144.09348	4.3
145.10100	73.4
146.10579	2.4
147.11670	29.2
148.12111	1.4
149.09598	6.3
149.13234	24.7
150.13525	1.5
151.11169	4.9
151.14876	2.5
153.09100	4.6
154.59129	1.4
156.09383	2.8
157.10127	11.3
158.10901	4.4
159.11665	45.0
161.09605	4.9
161.13243	23.7
163.07538	4.0
163.11162	29.3
163.14784	14.9
165.09190	2.7
165.12737	2.7
169.10112	4.1
170.10934	4.9
171.11655	11.5
172.12498	3.7
173.13242	24.5
175.11197	4.3
175.14806	38.0
176.15260	1.4
177.09087	5.2
177.12750	11.7
177.16350	25.6
177.17825	2.4
179.10663	1.6
179.14333	3.3
183.11662	4.5
185.13188	13.9
186.13982	1.7
187.14790	100.0
188.15111	2.5
189.12788	2.5
189.16347	34.2
191.14328	4.5
191.17931	12.0
193.15916	2.1
197.13281	3.5
199.14767	10.3
201.16350	76.6
203.14316	10.3
203.17915	39.7
204.18138	1.6
205.15837	63.1
205.19427	9.0
206.16214	2.4
207.17407	13.6
211.14819	4.3
213.16371	10.7
215.14357	4.7
215.17932	22.8
217.15828	7.9
217.19492	3.6
219.17422	20.0
221.15334	2.3
223.14914	1.7
225.16360	5.4
227.17955	5.3
229.15831	7.5
229.19484	3.1
231.17445	7.5
233.18967	11.1
235.16840	8.0
237.16307	2.2
239.17984	3.7
241.19559	5.0
243.17360	2.3
245.19048	2.1
247.16875	24.7
249.18471	10.2
251.17996	1.6
253.19595	3.5
255.21091	3.6
259.17084	2.2
259.20523	2.0
261.18631	2.6
265.19611	1.8
267.21008	3.3
269.22577	2.2
281.22519	1.7
283.20663	2.1
285.18362	2.3
293.22571	2.7
299.20016	1.8
309.25745	2.2
311.23651	11.3
313.21429	2.2
315.23059	1.3
333.25833	1.5
337.25348	2.2
379.25671	1.6
389.32028	13.0
407.33051	69.8
408.33438	4.3
409.34726	3.2
425.34143	1.7
435.32556	22.0
453.33630	53.5
454.33911	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05500	11.5
57.03434	3.4
57.07071	22.9
58.97469	1.8
62.06084	24.5
62.62314	2.0
64.68472	1.7
67.05499	25.7
69.07054	19.6
71.08610	11.5
71.62457	2.2
77.03957	2.0
79.05477	14.6
79.67109	1.8
81.07044	42.1
81.58072	1.8
83.04967	22.9
83.08601	14.4
85.10173	9.5
91.05471	15.0
93.07029	30.2
95.04953	9.2
95.07977	3.1
95.08595	61.4
97.06537	2.9
97.10172	5.5
98.98476	5.6
99.08086	1.9
100.11215	2.5
105.07020	36.0
107.08580	46.0
109.06522	8.8
109.10134	39.5
111.08073	8.5
117.07021	5.8
119.08567	49.7
121.06457	2.1
121.10134	32.7
123.08090	4.8
123.11700	6.6
125.09668	3.0
129.07016	2.9
131.08556	17.4
133.10114	30.5
135.08069	3.1
135.11668	20.1
137.09593	3.0
137.13243	2.9
143.08557	9.1
144.09305	2.6
145.10110	34.9
147.11685	27.4
149.09651	5.1
149.13231	16.9
151.11215	2.6
153.09132	1.8
155.01060	3.5
155.08519	2.9
157.10062	10.9
159.11699	28.2
161.13252	24.1
163.07535	2.5
163.11134	2.5
163.14810	10.3
169.10114	4.2
171.11632	9.5
171.75990	1.7
173.01927	2.1
173.13184	16.0
175.14798	21.6
177.12852	2.4
177.16342	10.9
179.60786	1.8
181.10123	2.3
183.11717	6.1
185.13208	9.7
187.11151	1.9
187.14760	19.0
189.12747	1.8
189.16380	22.8
191.14345	1.9
191.17982	6.9
193.16013	2.2
195.11609	2.2
197.13295	5.3
199.14766	10.8
201.12715	2.3
201.16371	31.2
203.14325	2.7
203.17932	18.3
205.15884	11.9
205.19600	3.0
207.17419	4.5
209.13300	2.7
210.55412	2.2
211.14859	3.4
213.16360	12.4
215.17935	13.1
216.06377	2.1
217.15929	8.2
219.17421	8.9
221.15451	2.1
223.14809	2.8
225.16386	4.3
227.18069	5.4
229.19559	4.5
231.17427	6.8
233.15430	3.2
235.17021	4.1
237.16518	2.0
239.18050	6.1
241.19370	11.0
243.21101	3.6
245.15335	2.0
245.19063	2.2
247.16963	10.0
249.18523	2.5
251.17844	2.0
253.19652	4.4
259.17017	2.1
259.20642	2.1
261.18506	2.6
267.21143	5.9
273.55408	2.1
275.20346	3.0
281.22635	2.6
282.27859	11.3
285.18527	3.9
287.19879	2.7
297.25836	2.1
299.20206	3.7
313.27335	100.0
324.99643	2.3
349.29056	4.2
389.32150	7.8
393.24054	7.9
395.29434	4.2
407.27826	2.5
407.33072	36.9
435.32520	20.8
436.28131	5.5
436.33401	2.0
453.33759	71.0
454.34250	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05502	2.1
57.03427	3.6
57.07071	18.7
62.06085	24.4
67.05498	3.4
69.07066	3.0
69.98724	2.5
71.08627	12.7
75.42569	0.5
79.05473	0.9
81.07054	6.5
83.04988	0.9
83.08606	4.8
85.10186	7.1
89.05996	0.6
91.05477	0.7
93.07050	1.2
95.08601	8.1
97.10176	2.8
98.98471	4.8
103.07528	0.6
105.06985	1.0
107.08568	1.1
109.10145	4.5
113.13309	0.6
119.08564	1.3
121.10152	0.8
123.11672	1.2
124.01595	1.1
128.96640	0.5
133.10135	1.0
142.02718	0.5
145.10152	0.5
147.11662	0.5
150.47733	0.5
155.01025	4.7
159.11604	0.7
187.14841	0.7
198.05357	1.2
202.16547	0.7
205.15887	0.8
216.06337	2.5
239.23695	1.6
256.26263	0.8
282.27890	11.0
313.27338	100.0
314.27628	2.3
387.11444	0.6
393.24033	7.3
408.11050	0.5
436.28162	3.0
454.28546	1.1
454.34296	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77888	0.8
56.96556	1.6
58.70076	0.8
63.02364	0.8
71.60509	1.2
88.77311	0.9
96.70602	0.8
98.97565	1.2
103.20429	0.9
112.89590	8.6
116.98624	1.7
117.41443	0.7
119.01897	2.5
131.00246	1.2
131.01851	5.2
131.51978	1.5
137.01883	2.6
137.51920	0.7
143.01875	5.3
149.01167	4.7
152.02397	1.1
155.01854	0.9
158.02448	1.7
161.02921	4.1
167.02225	1.4
173.03070	5.5
173.52928	1.1
177.00684	1.0
182.03487	1.3
185.03004	4.2
197.02960	1.9
203.04002	6.0
203.53986	1.4
215.04144	0.9
223.81476	0.8
224.04527	2.2
245.05045	8.5
254.05606	1.0
275.06122	1.8
284.06699	1.3
293.05554	2.3
311.06549	3.1
321.09927	0.9
331.07462	0.9
350.61981	0.9
365.09256	3.5
439.41687	0.7
455.11563	100.0
456.11996	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	455.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
53.97268	2.1
55.01856	5.3
55.05503	19.2
57.03420	4.7
59.04986	2.7
65.03922	2.5
67.05494	24.0
69.03414	14.9
69.07063	14.2
71.04992	12.2
77.03902	2.4
79.05476	22.2
81.03388	3.1
81.07050	54.4
83.04978	5.7
83.08612	7.3
85.02904	18.7
85.06536	13.7
91.05469	25.9
93.07037	50.3
95.04958	8.9
95.08596	50.9
97.02869	5.0
97.06517	7.4
97.10156	4.9
99.04411	4.0
99.08089	3.3
105.07014	45.7
107.04941	3.7
107.08576	70.0
109.06526	15.0
109.10143	28.5
109.74352	2.3
111.08068	9.7
113.09631	9.3
116.06184	2.1
117.07007	9.0
119.08560	62.2
121.06493	25.8
121.10134	49.9
122.44480	2.1
123.08055	57.8
123.11694	16.3
125.09612	9.1
127.03876	3.1
129.06993	5.2
131.08560	25.6
133.10127	33.8
135.08032	68.7
135.11650	15.9
137.05946	2.6
137.09595	34.2
139.11154	7.5
142.07761	4.0
143.08528	11.3
145.06381	3.2
145.10094	36.8
147.08031	13.0
147.11676	26.6
149.09595	30.2
149.13240	8.5
151.11163	3.4
153.09087	4.5
154.07851	2.0
155.08543	4.1
156.09335	5.9
157.10095	16.1
158.10909	2.9
159.08034	5.9
159.11667	33.5
161.09608	15.4
161.13229	11.6
163.07541	2.4
163.11182	21.8
163.14818	5.3
165.09114	52.6
165.12767	2.8
167.08588	2.8
167.10631	7.4
169.10098	5.8
171.11690	12.9
173.09583	7.7
173.13260	30.6
175.11177	8.6
175.14767	17.7
177.09129	2.2
177.12730	6.8
177.16345	3.4
179.10580	3.0
183.11693	6.1
185.13220	8.6
187.11179	6.3
187.14789	22.3
189.12766	7.5
189.16374	7.1
191.14284	5.5
195.11684	2.6
197.13245	8.2
199.14799	14.9
201.12746	6.3
201.16414	7.2
203.14320	5.4
203.17964	2.7
205.12199	4.5
205.15906	3.1
211.14862	3.2
213.16408	4.0
215.14334	8.7
215.17950	12.3
217.15872	5.8
219.13843	4.5
219.17311	2.8
227.18019	3.0
229.19431	5.2
229.31921	3.3
233.15378	11.1
233.18968	22.9
239.17888	4.5
245.18951	8.3
257.18942	24.2
263.20050	31.0
275.20044	100.0
293.17712	4.2
293.21082	82.8
384.48447	2.3
391.29797	4.7
409.31012	3.2
419.34500	2.2
437.30588	3.8
455.09689	2.9
455.22021	24.5
455.31479	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	455.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47734	2.6
52.91987	3.3
53.14811	3.2
55.01868	4.2
55.05504	22.0
57.03422	5.4
57.07070	4.1
59.04990	2.8
61.02909	3.9
67.05497	29.8
69.03428	16.9
69.07058	16.1
70.16534	16.5
71.04969	12.4
73.02919	3.5
77.35827	3.5
79.05488	19.2
81.07045	50.0
83.04942	4.1
83.08601	9.7
85.02901	23.6
85.06534	15.5
86.09698	3.3
91.05480	28.7
93.07030	47.3
95.04947	13.9
95.08600	58.7
97.02873	9.8
97.06513	9.8
97.10172	6.8
99.04433	6.5
99.08102	5.3
100.11240	5.3
104.74796	2.9
105.07021	48.9
107.04932	5.9
107.08584	74.5
109.02897	3.8
109.06501	15.4
109.10143	33.4
111.08071	7.4
111.15368	3.4
113.09617	10.1
117.06959	5.8
119.08562	78.6
121.06495	21.0
121.10121	50.5
123.04415	4.1
123.08054	55.9
123.11688	20.3
125.09587	11.4
127.03911	5.1
131.08557	25.6
133.10130	38.0
135.08031	73.4
135.11646	21.2
137.09581	33.5
139.03967	3.7
139.11169	7.6
141.07033	3.3
141.09160	4.2
143.08551	17.1
144.09293	4.4
145.04926	4.3
145.06454	3.6
145.10107	46.7
147.08005	12.1
147.11671	25.7
148.04822	3.0
149.09624	31.2
149.13225	10.4
153.09076	6.0
155.08521	6.2
157.10161	16.7
159.08012	7.9
159.11688	32.8
161.09618	20.4
161.13318	14.3
163.11154	24.2
163.14925	4.0
165.09091	51.4
167.10680	8.6
169.10114	6.0
171.11691	11.0
173.09528	7.6
173.13287	30.3
175.11182	16.5
175.14816	14.4
177.12772	5.8
179.10643	4.9
183.11707	10.9
185.13222	9.4
187.11154	8.6
187.14844	20.4
189.12732	12.7
189.16368	5.8
191.14307	5.5
197.13272	8.3
199.14772	12.1
201.12686	8.8
201.16385	8.2
203.14310	9.6
205.12129	4.9
207.13887	4.7
215.14301	11.9
215.17923	15.5
217.15892	7.6
227.17790	4.4
229.19434	7.3
233.15302	9.1
233.18993	23.2
235.16974	3.2
239.17903	6.4
245.18962	6.5
251.25031	3.2
257.18915	26.0
263.20047	35.7
270.29056	3.2
275.20044	100.0
276.20236	5.6
293.17703	3.7
293.21054	98.0
294.21564	4.2
391.29922	4.0
397.17841	3.0
437.30289	5.8
455.22540	37.8
455.31516	19.5
456.22775	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03931	6.5
55.01852	5.8
55.05253	2.8
55.05502	33.7
57.03417	10.0
57.07068	11.6
59.71730	2.0
61.02910	4.1
66.58598	2.1
67.05166	3.7
67.05497	50.0
69.03420	29.9
69.07062	51.0
70.87604	5.3
70.87946	3.7
71.04980	11.8
71.08606	4.7
73.02905	4.2
73.06507	2.1
79.05482	32.9
81.03408	16.1
81.06564	4.8
81.07045	99.1
83.04980	14.8
83.08612	25.3
85.02412	3.7
85.02891	43.7
85.06530	20.4
87.04433	3.0
91.05461	36.1
93.07034	71.1
95.04960	17.0
95.08595	100.0
97.02885	14.2
97.06501	13.0
97.10156	11.1
99.04432	6.1
99.08080	8.6
103.03919	3.6
105.07017	55.1
107.04945	5.4
107.08578	75.8
109.02837	6.0
109.06497	18.2
109.10136	62.9
111.04421	10.6
111.08075	18.1
111.11686	7.1
113.05973	8.2
113.09588	7.1
115.03899	3.0
115.05468	4.3
117.07014	11.0
119.08560	64.2
120.08040	3.3
121.06497	25.3
121.09303	3.9
121.10132	58.1
123.04393	5.3
123.08056	29.4
123.11687	30.5
125.09612	12.0
127.03873	10.7
129.05475	6.3
129.06964	9.8
131.08540	27.8
133.04945	3.4
133.06471	4.3
133.09203	4.2
133.10115	39.8
135.08037	48.5
135.11684	26.4
137.09604	24.7
137.13242	19.5
139.03896	4.1
139.11179	14.0
141.06998	3.4
141.09015	3.1
142.07739	5.6
143.08554	14.4
145.04951	5.7
145.06436	3.5
145.10094	40.0
147.04353	3.0
147.07991	13.9
147.11659	28.6
149.09590	24.0
149.13240	23.8
151.07484	5.2
151.11165	4.7
151.14810	4.1
153.09094	6.7
153.12747	3.4
155.08543	6.5
155.10635	5.2
156.09306	4.0
157.10107	17.3
158.07193	2.3
158.10770	3.7
159.08020	10.7
159.11661	34.1
161.09590	16.4
161.13246	20.7
163.06026	3.3
163.11159	15.8
163.14828	12.0
165.09100	33.5
165.12778	3.2
167.10603	4.9
169.10095	8.3
170.10864	2.3
171.11670	14.4
173.09586	9.0
173.11880	4.3
173.13240	33.3
175.11198	16.2
175.14816	19.4
177.09097	2.8
177.12712	5.5
177.16380	8.6
179.10648	2.5
179.14267	3.8
183.11678	10.5
185.13248	15.3
187.11171	9.5
187.14792	24.6
189.12720	15.0
189.16374	10.8
191.14275	12.2
193.12262	4.3
195.11823	3.2
197.13237	9.4
199.14816	9.9
201.12717	13.6
201.16333	8.9
203.14241	11.4
203.17894	5.0
205.12288	3.0
205.15848	10.7
205.19516	2.4
207.13803	2.8
211.14868	6.8
213.16345	5.4
215.14240	13.1
215.17995	7.8
217.15921	5.9
217.19456	3.9
219.13785	8.0
223.14832	4.1
225.16393	3.6
229.16000	4.1
229.19565	8.1
233.15349	10.1
233.18983	9.4
235.17033	2.6
239.17795	4.4
244.12468	2.3
245.13362	2.7
245.18829	5.7
257.18951	17.4
263.20035	14.8
275.20041	65.9
293.21078	58.3
293.28143	5.4
317.28372	3.8
347.29276	2.7
383.29465	3.5
391.29779	4.2
401.30197	6.9
407.29376	5.5
409.30566	3.9
419.30972	5.1
437.30399	17.1
455.10709	3.4
455.21063	7.1
455.26105	10.5
455.31525	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.315
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.29714	1.5
53.03951	1.8
55.05498	11.2
57.03417	1.8
57.07067	3.2
61.43469	1.4
62.03805	1.8
65.03919	1.9
66.82972	1.5
67.05495	22.5
69.07059	14.7
70.71509	5.8
71.04979	4.1
71.08601	1.8
79.05095	1.9
79.05489	17.7
81.07050	34.9
83.04968	6.6
83.08609	9.3
91.05470	23.9
93.07030	36.1
95.04929	7.1
95.08598	47.0
97.06517	7.8
97.10149	2.4
99.08038	5.4
105.07016	45.0
106.07265	1.7
107.04943	3.4
107.08579	54.7
109.06498	11.2
109.10136	28.8
111.04411	3.5
111.08035	3.1
115.05402	2.7
117.07010	13.7
119.08569	56.2
120.08909	1.9
121.06479	7.1
121.10127	29.7
123.04424	3.5
123.08041	6.0
123.11668	7.5
125.09593	3.7
128.06178	4.0
129.06967	5.4
131.08553	27.8
133.06444	2.7
133.10123	39.0
135.08034	12.8
135.11676	17.2
137.05952	2.0
137.09595	4.4
137.13225	2.5
139.03867	2.2
141.06958	2.9
142.07736	5.6
143.08563	15.0
144.09331	3.2
145.06448	4.1
145.10109	41.4
147.08009	6.5
147.11662	23.0
149.06000	2.0
149.09598	7.6
149.13249	12.0
151.11134	2.8
155.08496	5.1
156.09311	5.2
157.10127	22.2
158.10843	3.2
159.08043	5.8
159.11673	34.9
161.09625	12.4
161.13252	22.9
163.07460	2.4
163.11133	4.2
163.14806	9.7
165.09055	1.9
169.10109	9.0
170.10892	4.2
171.11710	15.0
172.08850	2.0
173.09604	8.3
173.11752	3.9
173.13211	26.3
175.11163	9.6
175.14796	20.0
177.12753	23.6
177.16347	11.8
178.13094	1.9
181.10072	2.8
183.11658	10.4
185.09572	3.4
185.13245	17.7
186.10413	2.7
187.11220	9.4
187.14796	32.6
189.12717	14.1
189.16370	16.6
191.14255	4.3
191.17891	5.9
193.10039	2.5
193.12244	1.9
195.11647	5.1
197.13249	9.3
199.11153	3.4
199.14799	15.8
201.12721	16.7
201.16330	10.6
203.14301	20.9
203.17935	19.6
205.12207	9.9
205.15837	9.9
205.19467	2.9
207.11777	2.1
207.13730	5.7
207.17441	3.0
209.13226	5.2
211.14749	4.0
213.12698	5.2
213.16356	6.7
215.14319	14.8
215.17911	4.8
217.12381	2.9
217.15837	6.2
217.19501	2.5
219.13757	5.3
221.13252	2.4
221.15341	4.9
225.16489	3.2
227.14217	5.0
227.17894	3.4
229.15839	5.5
229.19424	2.8
233.11636	3.2
233.15439	3.5
235.16847	3.7
239.17909	2.2
241.15868	2.0
241.19469	2.0
243.17317	3.4
247.13242	2.1
247.16925	5.5
249.18529	3.2
253.19450	2.8
255.17525	2.1
267.20740	2.4
269.18961	2.2
277.19580	3.1
295.20380	2.1
299.19971	1.9
321.21756	2.4
367.17651	1.9
373.28821	2.5
389.28290	1.9
391.29938	12.0
401.28104	4.8
409.30698	15.6
419.29083	8.6
427.32037	5.7
437.30127	44.9
438.30746	2.2
455.31360	100.0
456.31613	6.8
483.04230	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Thurberogenin
Peak:m/z	Relative Intensity
51.27745	1.6
55.05509	2.7
57.07040	1.7
59.04974	2.0
67.05495	4.0
69.07060	4.2
71.63039	1.9
79.05489	3.1
81.07062	8.7
83.08602	2.5
91.05476	5.2
93.07025	7.6
95.08607	13.6
96.60404	1.5
98.21027	1.5
105.07021	5.9
107.08578	13.5
109.06485	2.5
109.10143	7.1
111.08083	1.9
119.08550	19.9
121.10123	12.2
123.08022	1.6
123.11668	2.9
131.08600	3.9
133.10095	12.3
135.08025	1.6
135.11671	11.6
143.08585	2.3
145.10117	6.1
147.08113	2.2
147.11649	7.7
149.09537	1.7
149.13261	3.3
157.10144	2.7
159.08128	1.5
159.11702	6.0
161.09647	2.1
161.13289	4.3
163.07582	1.7
163.11169	1.6
163.14848	3.4
165.09164	1.8
171.11705	1.8
173.13266	4.0
175.11176	4.3
175.14839	3.4
177.12766	1.8
177.16402	4.8
187.14789	8.3
189.16368	21.7
197.13327	3.0
201.16353	1.9
203.17953	5.1
205.15813	8.4
207.17422	16.2
213.16457	2.2
215.14287	10.0
225.16267	1.4
229.15855	3.8
233.15393	5.9
247.16948	2.0
251.16426	2.0
366.28830	1.5
385.27167	1.7
397.31024	22.2
419.33209	4.5
437.34125	56.6
438.34619	1.5
455.35248	100.0
456.35501	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	455.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18242	3.3
55.05504	29.6
57.03407	4.9
57.07059	11.4
59.04989	6.4
61.27652	4.1
65.03931	4.5
67.05152	4.8
67.05492	48.7
69.03411	10.4
69.07066	31.2
71.04960	5.8
71.37418	7.9
79.05478	34.1
81.03388	7.7
81.07049	77.8
83.04961	15.3
83.08607	22.0
84.45952	3.4
85.02914	9.3
85.06536	4.6
91.05473	43.1
93.07027	71.6
93.07598	4.9
95.04942	16.3
95.08595	100.0
97.02889	4.5
97.06509	7.2
97.10153	5.3
99.08060	5.3
105.07021	80.3
107.04943	4.2
107.08582	93.6
109.06474	13.8
109.10138	59.3
111.08072	12.0
117.06989	19.4
119.08572	97.7
119.65363	4.2
121.06483	7.8
121.10139	70.0
123.04401	9.5
123.08054	12.5
123.11688	28.1
125.09628	6.8
128.06213	5.8
129.06999	11.3
130.07710	6.3
131.08542	57.9
133.06444	7.1
133.10118	66.8
135.08047	15.0
135.11674	52.3
137.09567	6.7
137.13210	13.8
139.03905	6.4
141.07051	5.5
142.07767	12.3
143.08554	31.0
145.10107	80.5
147.08008	10.5
147.11668	49.3
149.09581	11.5
149.13237	26.9
151.11122	9.3
151.14777	4.0
155.08546	14.5
156.09354	7.9
157.10107	44.9
159.08029	9.2
159.11691	51.3
161.09631	18.5
161.13243	28.3
163.11134	12.3
163.14796	10.9
165.09125	5.3
168.09341	5.2
169.10152	30.6
170.10858	13.3
171.11662	40.5
173.09576	14.5
173.13213	47.4
175.11165	11.3
175.14799	30.9
177.12752	6.5
177.16362	10.7
179.14244	5.1
181.10155	7.7
182.10825	6.1
183.11696	25.1
185.13219	42.0
187.11145	12.1
187.14777	39.8
189.12717	9.6
189.16367	25.7
191.14227	10.7
191.17961	29.7
194.10880	4.4
195.11684	14.2
196.12428	5.9
197.13245	21.3
199.11215	7.1
199.14813	23.6
201.12726	24.0
201.16296	21.8
203.14282	17.3
203.17940	21.6
205.15892	6.2
205.19511	5.6
207.11700	4.1
207.13823	5.9
209.13235	6.5
211.14879	21.7
213.16344	11.3
215.14296	19.5
215.17923	11.9
217.15880	27.1
219.13850	9.5
221.13181	5.2
223.14803	8.6
225.12674	4.3
225.16362	10.5
227.17923	7.1
229.15868	59.5
229.19519	8.0
231.17398	6.3
233.15407	9.9
233.18901	4.5
239.17976	6.6
241.15891	7.0
243.17569	8.4
243.20946	7.0
247.16864	24.6
253.19745	4.9
255.17484	4.5
265.17957	14.0
267.17395	5.0
269.18927	9.6
275.20053	9.3
281.19254	7.8
283.20740	8.2
293.21069	11.6
379.63150	4.1
391.29727	7.2
401.32300	9.1
407.29221	7.3
419.33600	38.0
437.34909	51.7
455.25842	7.5
455.30533	62.2
455.36127	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	455.3514
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05496	3.0
57.07072	1.5
67.05498	4.2
69.07068	4.8
70.23078	3.5
79.05473	4.2
81.07047	10.0
83.08602	1.9
91.05450	3.7
93.07024	10.2
95.04958	1.5
95.08595	13.0
97.06531	1.9
97.10184	1.0
98.20971	1.7
99.08094	1.9
105.07009	9.0
107.04931	0.9
107.08578	15.3
109.06520	1.6
109.10124	9.6
111.08080	1.7
115.06631	0.7
117.07006	1.4
119.08571	19.7
121.06461	1.0
121.10128	9.0
123.08045	1.4
123.11691	3.7
125.05970	6.3
125.09666	0.7
131.08577	2.7
133.10109	20.1
133.11064	1.2
135.08052	2.5
135.11668	19.1
137.09641	1.9
137.13191	0.7
139.07541	3.1
143.08543	2.1
145.10098	10.0
147.08003	0.9
147.11665	12.7
149.09642	1.1
149.13280	3.6
151.11174	1.9
155.08519	1.2
157.10107	3.9
159.08069	2.1
159.11656	4.6
161.09558	3.2
161.13199	4.3
163.14818	6.2
165.09021	1.0
169.10106	1.9
171.11661	2.9
172.12466	1.0
173.09575	6.1
173.13257	2.8
175.11169	4.9
175.14822	2.1
177.09120	3.5
177.16391	2.3
182.10912	1.0
183.11777	1.3
185.13318	1.6
187.11166	10.0
187.12901	0.9
187.13220	1.1
187.14771	8.5
189.16357	38.5
191.10641	5.0
191.18033	1.2
194.81851	0.7
197.13223	3.7
199.14697	1.7
201.12727	0.9
201.16360	1.3
203.17950	4.5
205.15863	10.2
205.19461	1.0
207.17416	76.8
208.17754	1.1
211.14865	2.4
213.16408	2.4
215.14272	15.9
217.15765	1.0
229.15848	63.1
230.16310	1.8
231.17430	7.6
233.15335	25.3
243.17418	4.3
247.16914	23.7
249.18581	2.0
257.18988	2.0
283.20615	3.2
297.22052	1.0
315.22964	0.9
330.76855	0.7
358.82605	0.7
409.34726	2.9
419.33118	2.5
437.34131	30.2
438.34448	1.2
455.35217	100.0
456.35373	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	455.3515
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05494	16.4
55.67481	2.1
57.07065	6.8
60.95847	2.6
62.50922	2.3
67.05501	20.0
69.07064	25.0
71.09113	3.2
71.09452	4.8
77.99687	2.6
79.05489	16.1
81.07054	44.6
83.04984	2.6
83.08602	13.1
91.05462	16.3
93.07032	36.2
95.04911	3.4
95.08597	97.5
96.08936	2.6
97.10155	5.9
98.13322	2.2
105.07022	43.4
107.08584	86.9
109.10149	44.8
111.08026	3.6
113.09613	5.2
117.07018	6.8
119.08572	72.0
121.06458	4.3
121.10136	65.2
122.10481	2.7
123.08090	3.5
123.11697	26.4
125.09609	3.4
129.07004	2.9
131.08556	17.1
133.10110	60.5
135.08049	5.7
135.11671	36.6
137.13269	4.9
143.08571	7.0
145.10107	39.0
147.11679	44.8
149.09633	4.6
149.13263	21.8
149.56229	2.4
151.11089	3.3
153.09091	4.7
157.10158	7.0
159.11678	32.3
160.12157	2.2
161.09752	3.0
161.13249	22.8
163.09973	2.7
163.11125	14.2
163.14807	22.3
165.12766	4.3
167.10724	3.4
169.10146	2.9
171.11693	9.4
173.13280	14.5
175.11241	2.7
175.14812	37.8
177.16373	54.2
179.14320	5.0
185.13312	4.1
187.14821	32.8
189.16370	74.3
191.17961	14.4
199.14766	3.6
201.16364	28.7
203.17928	72.8
205.15855	100.0
205.19485	12.4
207.17442	11.0
208.34415	2.5
209.46706	2.3
213.16399	5.9
215.17953	18.6
217.15877	3.7
217.19481	7.5
219.17430	8.8
221.18933	3.1
227.17928	3.9
229.19476	9.0
231.04993	2.8
231.17421	3.8
233.18950	3.9
235.16930	10.9
239.18016	4.0
241.19466	7.5
243.21031	3.6
247.16946	7.4
249.18443	20.2
261.18512	9.5
273.22165	2.9
281.35507	2.6
295.24054	3.1
313.25262	7.4
321.17154	2.9
391.33582	18.9
409.34610	75.1
427.31873	3.8
437.34238	49.3
438.34390	3.6
455.35825	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
55.05507	5.8
57.07068	2.9
63.09533	1.4
67.05496	7.4
67.56584	1.3
69.07063	13.0
70.01181	7.2
75.66986	1.3
79.05487	5.9
81.07049	18.0
83.04967	1.6
83.08605	7.0
91.05456	8.1
93.07037	18.4
93.17500	1.4
95.08597	37.0
95.22723	1.3
97.10169	3.4
105.07015	20.1
107.08581	41.4
109.10141	23.4
111.08091	1.4
117.02100	1.4
117.07016	2.6
119.08562	45.4
121.10126	34.2
123.08017	1.4
123.11705	6.2
131.08511	7.0
133.10123	39.3
135.11688	14.5
137.13147	2.4
143.08511	2.6
145.10106	23.8
147.11676	27.1
149.09688	1.5
149.13234	15.0
151.14798	1.8
153.09085	2.3
157.10156	2.2
158.10927	1.5
159.11684	31.5
161.13246	25.9
163.11194	6.8
163.14806	17.1
171.11633	2.1
173.13252	5.8
174.14012	1.7
175.11209	1.5
175.14801	20.4
177.12735	2.5
177.16362	21.7
179.14304	2.5
185.13303	1.9
187.14816	40.5
189.16362	61.0
191.17920	7.7
199.14626	2.0
201.16373	16.0
203.17932	100.0
205.15855	52.4
205.19547	3.8
206.16014	2.0
207.17421	6.5
213.16292	7.6
215.17964	5.4
217.15895	1.5
217.19559	2.3
219.17369	3.8
221.18948	2.8
223.16968	4.1
227.17944	3.4
229.19592	2.0
231.17480	3.8
235.16953	4.5
249.18471	17.6
253.19502	1.7
300.02563	1.4
322.00909	1.4
338.78604	1.4
370.31677	1.5
391.33554	11.9
409.34613	82.1
410.34854	2.6
427.35632	2.6
437.34122	50.6
438.34256	1.8
455.35349	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	455.3516
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
55.05511	4.5
57.07061	2.0
67.05492	7.2
69.07066	7.1
70.07047	6.0
70.07365	1.4
71.08615	1.1
74.00257	0.8
79.05495	7.1
81.07047	9.6
83.08617	5.1
86.34995	1.0
91.05488	4.6
93.07033	11.3
95.08602	26.7
97.10173	2.1
98.21431	1.2
105.07020	9.9
107.08587	34.9
109.10154	16.0
111.08093	2.0
114.01224	1.0
117.07061	1.7
118.24273	1.0
119.08575	32.2
121.10133	28.9
123.11710	3.9
130.07774	1.3
131.08574	3.5
133.10118	29.4
135.08070	1.7
135.11681	9.5
137.09578	1.7
145.10110	15.3
147.11681	18.1
149.09644	3.1
149.13210	7.3
153.09155	2.7
157.10065	1.3
158.10973	1.1
159.11716	14.0
161.13255	13.5
163.11154	13.0
163.14795	9.0
167.10710	2.3
173.13269	4.3
175.14824	13.0
177.12798	1.6
177.16368	22.1
179.14249	1.6
187.14809	28.5
189.16371	46.9
189.18085	2.4
191.17950	5.4
201.16385	5.9
202.18533	1.0
202.20468	1.2
203.17946	48.8
205.15869	100.0
205.19420	10.7
206.16324	1.4
207.17377	8.4
213.16409	4.3
215.17944	2.7
217.19583	1.4
219.17450	2.1
219.21208	1.2
221.19028	2.5
223.16869	2.0
227.17819	1.3
231.17542	2.3
235.16858	2.5
245.19099	1.1
249.18500	14.9
285.25714	1.1
290.89005	1.1
295.24255	3.9
313.25168	6.0
339.27185	1.6
391.33481	3.2
409.34616	33.5
437.28052	1.5
437.34052	26.0
455.35260	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30086	1.1
50.97643	1.1
55.05506	3.7
57.07077	1.6
58.03976	1.1
62.89640	1.1
67.05491	5.7
69.07053	6.8
69.53791	9.7
69.54192	2.5
79.05489	8.4
81.07050	10.6
83.08611	4.7
91.05473	4.9
91.49153	1.2
93.07030	10.8
95.08594	30.7
97.10129	1.6
105.07031	10.2
107.08579	38.3
107.09285	2.2
109.10134	14.1
117.07043	1.9
119.08578	19.5
121.10134	25.2
123.08121	1.9
123.11691	5.4
131.08565	3.6
133.10123	19.8
135.08070	1.5
135.11646	10.3
137.09569	2.0
137.13228	2.1
145.10117	9.4
147.11696	9.4
148.44336	1.2
149.13242	9.2
153.09117	2.2
157.10132	2.5
159.11684	6.9
161.13239	5.1
163.11189	12.8
163.14822	4.5
163.90862	1.1
165.12672	1.4
173.13263	3.9
175.14806	20.3
175.16238	1.5
177.16359	33.1
177.17795	2.3
187.14842	12.9
189.16368	12.5
191.17931	3.9
199.14713	1.2
201.16388	4.6
203.17944	28.3
205.15858	100.0
205.19579	3.4
206.16206	1.7
207.17479	3.7
215.17918	6.2
217.15794	1.4
217.19478	1.5
219.17407	2.3
221.18927	1.3
227.17929	1.3
231.17329	2.5
241.19569	1.6
249.18475	8.0
261.18591	4.0
269.12354	4.9
283.28302	2.0
292.13831	1.4
295.24097	3.5
313.25250	9.7
316.12640	1.9
391.33472	2.0
394.76855	1.5
409.34619	35.2
437.34042	7.5
455.35187	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	455.3514
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
51.99796	2.2
55.05515	13.4
55.33948	2.5
57.07064	6.0
65.03931	2.5
67.05501	25.4
69.07058	26.5
69.55405	21.7
79.05489	17.3
81.07050	56.3
83.08602	10.8
84.35022	2.4
89.06032	4.6
91.05470	18.6
93.07029	51.3
95.04972	5.1
95.08601	100.0
97.06500	2.9
97.10159	4.5
98.21473	4.6
104.33778	2.7
105.07016	48.7
107.07860	3.2
107.08584	73.7
109.06496	6.0
109.10138	54.6
111.08070	83.0
111.11665	2.2
117.07010	5.3
117.41177	2.4
119.08568	82.3
121.10133	63.4
123.08094	3.3
123.11697	17.0
125.09593	3.3
131.08578	18.5
131.74356	2.6
133.10117	51.0
135.11670	27.2
137.13185	4.9
139.11160	18.1
143.08537	5.0
145.10097	34.0
147.11662	44.2
149.13246	43.7
150.47125	2.9
151.07480	2.9
153.09119	4.6
157.10135	7.6
159.11708	23.0
161.13228	32.2
163.11180	2.2
163.14806	29.0
165.12775	5.1
167.10655	3.8
171.11699	5.3
173.13234	19.3
175.14815	34.6
177.16322	32.7
181.45860	3.3
185.13269	2.5
187.14792	26.5
189.16357	84.6
191.17946	15.8
195.17455	4.8
199.14912	3.2
201.16351	42.6
203.17935	78.6
205.15886	12.2
205.19455	6.7
207.17429	25.9
210.73659	3.1
213.16328	8.9
215.17912	23.2
217.15611	3.1
217.19418	5.8
219.17397	13.0
221.18983	13.4
227.17917	4.2
229.19530	6.5
233.18991	5.5
235.16974	11.9
241.19458	5.8
243.21036	7.7
245.22675	3.9
247.16888	13.5
249.18518	11.6
255.21011	4.5
257.22586	2.9
261.18494	11.2
261.22314	3.0
269.22623	3.3
289.21619	3.4
295.24246	2.6
301.21585	5.3
321.25656	3.0
351.30423	4.8
391.33487	14.2
397.30960	6.6
409.34656	56.4
410.34732	3.9
411.36374	3.7
419.33023	4.5
425.34131	9.0
437.34042	42.0
455.35309	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.7
56.96563	11.6
57.03444	6.5
57.07065	8.9
67.05497	59.3
69.03411	7.2
69.07059	43.5
71.04984	12.4
71.62144	8.7
72.43669	5.3
72.91901	5.2
73.02917	8.6
79.05482	34.2
81.07049	74.9
81.80974	5.3
83.04953	7.2
83.08616	18.5
85.02894	13.1
87.91850	5.5
91.05492	41.5
91.27291	6.0
93.07026	67.4
95.04965	18.1
95.08600	98.2
97.02905	6.5
97.06545	7.8
97.10167	10.9
98.21080	7.2
100.61177	5.5
105.07008	73.7
107.08582	95.9
108.08937	8.6
109.06534	7.2
109.10152	74.0
111.08083	7.8
117.07034	15.8
119.08572	100.0
120.08896	9.2
121.10127	68.6
123.08040	9.5
123.11706	27.5
125.09595	11.3
129.07007	12.5
131.08540	45.0
132.83327	6.0
133.06491	7.6
133.10104	81.3
135.08054	16.7
135.11717	52.6
137.09615	9.4
137.13277	8.2
143.08549	17.5
145.10112	63.1
147.11678	51.9
149.09575	10.0
149.13206	34.6
151.11182	9.3
153.09129	7.9
157.10133	17.8
159.11659	50.8
160.12389	7.4
161.13211	36.7
163.11142	10.7
163.14793	23.5
164.15138	7.1
169.10139	10.1
170.10863	6.1
171.11743	13.2
173.11980	7.4
173.13237	41.7
175.11130	9.2
175.14819	35.1
177.12727	11.2
177.16342	37.4
179.14287	9.4
183.11740	11.1
185.13257	26.7
186.14035	16.9
187.14806	43.0
189.16365	38.2
191.14185	9.9
191.17926	33.1
197.13280	11.0
199.14810	20.9
201.12598	8.5
201.16353	46.2
203.17967	40.4
205.15868	23.9
209.13330	6.8
211.14767	11.4
213.16319	18.5
214.17128	20.9
215.18001	35.3
217.15927	14.4
219.13982	9.3
219.17360	14.6
221.15341	7.9
227.17984	9.8
229.19481	95.1
241.19493	7.9
243.20999	15.1
247.16870	10.6
247.20546	37.4
255.21144	9.0
261.18494	9.8
263.16721	8.2
275.20142	9.0
301.21179	6.5
349.16809	9.7
381.19550	24.0
391.33615	18.4
409.35089	36.8
419.33154	12.7
437.34625	73.3
455.14914	6.7
455.31177	66.6
455.35510	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03938	2.8
55.05502	15.6
56.96539	2.3
57.03418	1.6
57.07069	7.7
59.04995	1.8
61.02931	2.0
67.05492	28.8
69.03410	7.5
69.07055	26.4
71.04967	2.5
71.08622	2.3
71.63685	2.4
79.05481	19.8
81.07043	69.6
83.04958	3.8
83.08610	13.3
85.02907	2.9
85.06548	3.0
91.05472	20.7
93.07028	38.3
94.07345	2.2
95.04942	6.2
95.08591	100.0
97.06537	3.2
97.10153	6.4
99.04423	4.2
99.08079	3.4
105.07011	40.5
107.08579	58.0
108.08932	1.9
109.06507	5.1
109.10137	54.2
111.08082	4.9
111.11699	1.9
117.06966	7.8
119.08561	93.5
120.08885	2.1
121.06456	2.5
121.10128	49.5
123.08060	4.4
123.11684	29.7
125.09628	2.0
128.06232	2.4
129.06952	1.8
130.07806	2.0
131.08539	30.4
133.10110	44.9
135.08037	6.8
135.11676	34.7
137.09581	2.5
137.13228	27.1
139.07518	2.2
139.11119	2.0
142.07748	3.3
143.08521	10.9
145.06430	2.0
145.09021	1.5
145.10091	42.4
147.08086	2.0
147.11658	23.6
149.09610	4.4
149.13240	18.2
151.07516	4.7
151.11192	2.4
151.14789	2.0
153.12875	1.5
155.08539	3.9
156.09453	3.6
157.10103	17.4
158.10869	1.8
159.08073	2.8
159.11671	35.9
159.12975	2.0
161.09615	3.7
161.13225	21.1
161.14444	2.5
162.13618	1.5
163.07542	10.4
163.11136	5.7
163.14787	20.5
165.09106	1.9
169.10103	8.5
170.10910	1.9
171.11636	15.5
172.12453	2.1
173.09621	3.0
173.13223	26.4
173.14644	1.9
174.13785	2.1
175.11180	3.6
175.14828	14.6
177.09117	2.3
177.12764	2.1
177.16396	9.6
179.14293	4.6
179.17924	6.7
181.10204	1.7
183.11670	6.5
184.12364	1.6
185.13252	15.7
187.11223	4.5
187.14789	40.6
189.12759	3.4
189.16370	22.7
191.14264	3.0
191.17914	49.2
192.18408	2.1
195.11555	2.2
196.12486	2.6
197.13235	6.9
199.14780	14.3
201.12735	3.9
201.16350	32.0
203.14294	5.2
203.17931	29.0
205.12044	1.9
205.15881	6.3
205.19492	5.5
207.17459	4.9
211.14728	12.1
213.12698	1.7
213.16353	21.2
215.14284	10.0
215.17940	6.4
217.12192	2.0
217.15887	6.0
217.19485	7.4
219.13873	2.5
219.17374	3.4
221.15480	1.7
221.18936	1.8
225.16217	2.0
227.17894	6.1
229.15871	14.9
229.19395	8.4
231.17462	4.2
233.15335	7.4
239.14413	2.5
239.17877	2.3
241.19562	5.9
243.17488	3.2
243.20934	2.5
245.15375	5.2
247.16895	15.8
253.19458	2.1
255.21088	2.8
257.15350	4.3
259.16910	5.2
261.18506	2.3
267.21179	2.3
269.19064	2.7
269.22647	2.2
275.16394	5.3
275.20068	3.4
301.21780	1.9
339.26779	3.2
347.75256	1.6
349.17078	1.8
365.16284	2.6
367.17621	1.9
391.33459	13.3
407.33304	2.6
409.34683	33.9
411.28799	1.6
411.35767	1.6
419.28464	3.1
419.33585	3.5
437.34341	47.0
438.34650	2.0
455.30444	9.5
455.35016	33.1
455.71463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
55.05506	20.8
57.03422	4.9
57.07052	6.0
58.92496	2.4
67.05158	4.3
67.05496	54.9
69.07058	31.5
71.02541	4.7
71.02891	5.8
71.04976	2.5
77.07152	2.5
79.05483	33.5
81.07047	72.6
83.04951	6.2
83.08601	14.1
83.61015	2.4
90.47531	2.4
91.05463	25.0
93.06461	3.7
93.07034	54.6
94.60361	2.3
95.04958	5.4
95.08595	100.0
96.08869	2.6
97.06508	4.7
97.10152	6.4
99.08089	3.5
105.07012	42.9
107.08585	79.8
109.06519	6.4
109.10141	65.4
111.08073	13.1
117.07013	9.2
119.08559	70.4
120.08898	6.0
120.96619	28.9
121.06545	2.9
121.10132	64.0
123.08076	6.3
123.11710	18.1
125.09602	3.6
131.08559	19.6
133.10110	52.8
135.08032	4.9
135.11670	37.5
137.09491	3.8
137.13228	10.1
143.08556	5.0
144.09428	2.6
145.10098	31.1
147.11671	44.9
149.13214	31.4
151.07561	4.5
151.11108	3.7
153.09081	3.2
157.10130	9.6
159.11684	28.0
161.13258	22.9
163.07526	7.0
163.11159	5.6
163.14798	18.0
169.10068	4.9
170.54094	2.9
171.11682	7.3
173.13239	16.4
174.98512	5.8
175.11166	3.2
175.14812	23.7
177.09033	3.3
177.16374	35.3
183.15602	2.6
185.13283	5.7
187.14783	26.6
189.12645	2.9
189.16356	67.6
190.16689	4.5
191.17892	17.7
199.14775	7.3
201.16351	22.4
203.17935	77.9
204.18224	3.0
205.15858	48.6
205.19452	5.6
207.17442	12.2
211.14812	3.1
213.00009	4.8
213.16385	9.9
215.14366	4.3
215.17920	15.5
217.15987	3.9
217.19542	5.2
219.17480	4.6
221.19009	5.5
227.17776	3.4
229.19569	4.1
231.17439	8.6
233.15230	3.3
235.16927	6.9
243.20872	3.4
247.16982	2.9
249.18518	15.7
251.18179	3.1
259.16858	4.2
261.18408	7.1
290.25827	2.8
335.25751	51.7
336.26428	3.1
346.97122	2.9
357.24164	16.8
391.33682	5.1
397.31241	4.6
409.29584	5.2
409.34628	80.6
425.34216	7.7
437.34521	23.9
455.21710	43.7
455.35641	76.1
456.22110	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01872	2.8
55.05510	8.6
57.03426	2.5
57.07066	2.5
65.03951	2.4
67.05495	7.7
68.51343	1.3
69.03428	18.3
69.07055	12.6
69.92516	1.4
70.06578	2.8
70.17790	7.6
70.18070	1.6
71.04976	7.4
71.08642	1.5
73.02893	1.4
75.26385	1.3
79.05486	10.1
81.03419	9.2
81.07053	20.0
83.04984	11.1
83.08598	4.1
85.02888	13.0
85.06528	3.9
86.09698	3.0
87.00805	4.9
91.05476	13.8
93.07038	21.4
93.33676	1.4
95.04959	9.6
95.08601	27.8
97.02881	4.8
97.06522	7.0
99.04444	5.6
99.08100	8.8
103.03906	1.8
105.01841	2.1
105.06377	1.9
105.07026	20.9
105.65902	1.6
107.04931	2.2
107.08584	39.4
109.02888	7.0
109.06532	8.2
109.10153	23.2
111.08093	2.9
115.05429	1.9
117.07005	3.4
119.08574	19.6
121.06469	8.2
121.10128	39.6
122.07283	1.6
123.08049	7.9
123.11691	5.4
125.05998	2.5
125.09618	12.4
127.03906	7.0
127.07539	1.6
129.07010	2.3
131.08566	14.0
133.06503	1.8
133.10121	37.7
135.08054	16.5
135.11670	7.6
137.05959	3.0
137.09595	17.6
139.11165	6.2
143.08546	7.2
145.04968	2.9
145.10100	13.4
147.04373	1.8
147.08058	2.7
147.11673	17.9
149.09624	14.4
149.13254	19.4
151.03906	1.5
151.07634	2.4
151.11169	77.2
153.09109	3.3
155.08525	3.5
157.10121	6.6
158.10876	3.4
159.08028	3.3
159.11700	10.0
161.05983	1.9
161.09602	5.6
161.13239	5.2
161.41766	1.6
163.11156	2.5
163.14824	15.6
165.09093	5.7
165.12761	5.3
169.04874	2.0
169.10123	2.9
171.11700	6.1
173.09641	1.7
173.13258	21.3
175.11192	2.8
175.14723	3.7
178.62129	1.6
183.11719	3.9
183.41400	1.7
185.13269	4.6
187.11133	2.2
187.14786	7.2
189.12744	4.1
189.16365	2.4
191.14290	100.0
192.14601	1.9
197.13264	3.2
199.14833	3.7
201.16383	6.0
203.14287	6.1
209.15344	94.4
213.16231	2.8
215.17917	1.9
217.15866	1.5
219.13818	2.0
221.15341	1.8
229.15901	2.2
367.26694	2.0
391.29770	2.0
403.29953	1.9
409.30771	4.3
421.30948	4.0
432.44730	1.5
439.31888	6.6
457.15009	2.4
457.23730	10.1
457.33353	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01849	2.9
55.05502	4.0
57.03421	1.8
57.07049	1.2
61.02894	1.1
65.62866	0.6
67.05494	5.4
69.03074	0.9
69.03423	13.5
69.07057	3.7
69.74453	4.4
70.06577	4.7
71.04965	2.6
72.08136	1.2
73.02902	1.9
79.05487	4.9
81.02955	1.1
81.03405	10.4
81.07047	7.3
82.01575	0.6
83.04966	3.4
83.08598	1.4
84.08119	0.7
85.02419	1.1
85.02895	16.8
85.06532	1.0
86.03272	0.6
86.09677	3.1
87.00814	4.4
87.04461	1.1
91.05474	5.6
93.07027	4.2
95.04961	4.1
95.08584	6.8
97.02874	5.9
97.06513	1.7
97.10129	0.7
99.04425	2.9
99.08051	1.8
105.01861	2.7
105.07014	9.3
107.04929	1.4
107.08572	14.0
109.02863	8.0
109.06490	6.7
109.10150	6.6
110.07191	0.7
111.08025	1.0
113.05978	2.0
115.03873	1.1
115.05450	0.7
117.01833	0.9
117.06985	2.3
119.08561	6.6
121.06478	3.1
121.10132	12.6
121.96562	0.7
122.07268	1.7
123.08050	5.7
123.11668	3.3
125.09584	1.2
127.03904	11.5
129.06963	1.0
131.08545	3.6
131.09380	0.6
133.06430	0.6
133.10114	24.0
134.10442	0.7
135.08041	4.3
135.11659	3.8
136.07590	1.2
137.05946	1.2
137.09589	19.1
137.13214	0.9
141.01837	0.8
142.07767	1.1
143.08557	2.3
145.04950	4.3
145.10074	4.8
147.04382	1.2
147.08057	1.3
147.11676	3.8
149.09586	6.3
149.13235	6.8
151.11162	41.9
157.10088	2.4
159.02898	2.6
159.11674	2.9
161.09625	1.5
161.13228	1.7
163.07475	0.8
163.11171	1.6
163.14774	2.3
165.09100	2.1
165.12733	30.1
169.04961	1.3
169.10054	1.3
171.11655	2.2
173.09615	0.9
173.13254	4.7
175.14784	1.6
177.12636	0.9
177.16409	0.7
179.10669	1.1
183.11659	1.0
185.09525	0.7
185.13217	1.7
187.11179	0.8
187.14763	2.9
189.12698	1.2
191.12646	1.1
191.14285	16.4
193.15881	7.0
197.13135	1.1
199.14847	1.7
201.12830	1.3
201.16325	1.8
203.14340	1.6
203.17792	0.8
205.12126	0.9
207.13736	0.9
208.09712	0.8
209.15335	100.0
210.15704	1.9
213.16449	1.1
227.14284	0.7
231.05006	1.5
303.10437	1.9
403.30051	1.0
409.30817	0.7
421.30920	1.9
439.32117	2.1
457.23843	16.1
457.33389	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3306
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
50.87925	0.2
55.01850	0.2
55.05499	1.8
59.04984	0.2
62.07111	0.2
65.03922	0.4
67.05499	2.8
69.03410	0.6
69.07059	1.6
70.08000	1.0
71.04993	0.3
73.08450	0.2
79.05479	2.6
81.07045	4.8
83.04955	0.3
83.08607	1.0
85.06542	0.3
91.05460	3.3
93.07034	4.9
95.04958	0.9
95.08595	7.2
97.06490	0.9
97.10157	0.3
99.08091	0.5
105.07018	7.0
107.04939	0.7
107.08582	9.7
109.06514	1.3
109.10141	5.2
109.10904	0.2
111.08060	0.9
115.05427	0.2
117.07002	1.2
119.08566	8.8
121.06499	1.5
121.10135	5.0
123.08021	1.3
123.11717	1.1
125.09610	1.1
128.06206	0.3
129.06987	0.7
129.64738	0.2
130.07716	0.4
131.08551	3.6
133.05461	0.2
133.06480	5.4
133.10115	6.0
135.08038	12.1
135.11639	1.8
136.08385	0.2
137.09610	1.2
137.13220	0.3
139.11224	0.3
141.07002	0.4
142.07761	0.8
143.08548	1.7
144.09352	0.4
145.06493	0.7
145.10104	4.9
146.07233	0.4
146.10802	0.2
147.08040	3.9
147.11673	4.5
148.12068	0.2
149.05908	0.2
149.09595	2.9
149.13213	1.0
151.11121	0.9
153.09120	0.6
153.67381	0.2
155.08554	0.4
156.09361	0.7
157.06583	0.2
157.10109	3.0
158.07147	0.2
158.10962	0.4
159.08038	1.1
159.11681	3.9
161.08253	0.4
161.09607	7.4
161.13220	2.1
163.11188	0.8
163.14819	0.7
165.12816	0.2
167.08626	0.2
167.10713	0.2
168.09332	0.2
169.10124	0.9
170.10928	0.5
171.08023	0.2
171.11653	2.1
173.09612	1.6
173.13257	3.8
174.10432	0.5
175.11171	8.9
175.14763	2.4
177.12755	1.0
177.16353	0.7
179.14261	0.3
183.11661	1.1
184.12448	0.2
185.09595	0.4
185.13239	1.5
186.10504	0.3
187.11235	0.9
187.14786	2.6
189.12712	3.2
189.16350	1.7
191.14323	0.9
193.12259	0.6
193.15880	0.3
195.11694	0.3
197.13272	0.9
199.11201	0.4
199.14825	1.1
201.12735	1.9
201.16333	1.5
203.14291	16.1
203.18045	0.7
204.14505	0.3
205.15842	0.6
209.13252	0.4
211.11232	0.2
211.14851	0.5
213.12755	0.3
213.16301	1.3
215.14319	1.3
215.17918	0.6
217.15846	8.5
219.13768	2.3
219.17293	0.2
221.15308	0.3
223.14760	0.4
225.16354	0.5
227.14238	0.4
227.17908	0.5
229.15862	1.0
231.17400	1.0
233.15388	0.4
239.18042	0.4
241.15933	0.5
243.17433	0.8
244.18228	0.3
245.19107	0.2
249.18619	0.3
251.18007	0.2
253.15854	0.2
253.19489	0.5
255.17523	0.6
257.18933	0.6
259.20660	0.2
267.17438	0.4
267.21332	0.3
269.19131	0.5
269.22775	0.2
271.20441	0.3
283.20538	0.2
295.20630	0.2
297.22235	0.4
313.21671	0.2
321.21991	0.2
351.23151	0.3
391.29831	0.4
393.31448	0.3
396.26620	0.6
403.30096	1.1
409.30731	0.3
414.27808	0.9
421.31018	3.6
422.31497	0.2
439.32077	3.1
442.30832	0.2
457.33078	100.0
458.33398	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3305
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03936	0.5
55.05502	2.7
55.78797	0.3
55.94761	0.3
57.03401	0.5
57.07053	0.9
59.19596	0.3
65.03905	0.4
67.05489	3.6
69.03431	0.6
69.07064	2.3
69.61429	2.4
69.61846	0.7
71.08593	0.4
78.27166	0.3
79.05473	3.5
81.07042	6.5
81.23592	0.4
83.04955	2.9
83.08601	1.5
91.05466	3.5
91.80984	0.4
93.07033	7.0
95.04946	1.4
95.08593	9.0
97.06512	1.8
99.04475	0.4
99.08101	0.5
105.07010	10.3
107.04926	0.8
107.08575	10.8
109.06475	2.0
109.10142	4.1
111.04423	0.5
111.08063	1.1
117.07007	1.6
119.08561	11.7
121.06494	1.7
121.10114	5.6
121.10905	0.5
123.08044	1.4
123.11704	1.2
125.09610	1.4
129.06964	1.1
131.08556	4.1
133.06468	5.7
133.10092	7.5
134.10374	0.4
135.08034	11.5
135.11653	2.0
137.09596	1.6
142.07768	1.0
143.08545	3.3
145.06441	0.6
145.10086	6.6
147.08037	3.7
147.11655	4.9
149.09605	2.7
149.13214	2.0
151.07579	0.4
151.11183	1.1
155.08545	1.0
156.09296	0.9
157.10114	4.2
158.10928	0.5
159.08075	1.3
159.11676	6.2
161.09590	6.3
161.13269	3.3
162.10309	0.5
163.11200	1.6
163.14838	1.2
165.09134	0.9
169.10098	1.8
170.10892	1.2
171.11647	2.6
173.09601	1.1
173.13225	4.6
174.10429	0.5
175.11168	7.1
175.14748	2.8
177.12723	1.7
177.16412	0.9
183.11676	2.0
185.09634	0.7
185.13254	3.7
187.11212	1.2
187.14754	2.6
189.12718	3.6
189.16328	1.9
191.14282	2.0
193.12152	0.4
195.11691	0.5
197.13271	1.3
199.14789	2.8
201.12764	2.7
201.14369	0.4
201.16243	1.8
203.14282	14.2
203.17810	0.9
205.15837	4.2
209.13268	0.7
211.14822	1.0
213.16399	1.5
215.14282	1.0
215.17960	1.0
217.15842	7.4
219.13774	1.9
219.17404	0.6
221.15318	0.6
223.14644	0.5
223.16754	0.5
225.16336	0.9
227.14270	1.0
227.17984	0.6
229.15842	1.1
231.17403	1.0
233.15453	0.4
237.16336	0.4
241.19678	0.4
243.17461	0.7
245.18886	0.5
251.17998	0.4
253.19421	0.8
255.17458	0.7
257.18787	0.4
267.17444	0.4
269.19006	0.8
271.20700	0.4
333.22183	0.5
391.30176	0.7
393.31470	0.7
403.29855	1.4
409.30920	2.4
411.32504	0.9
421.30826	3.6
429.61221	0.4
439.32028	7.6
457.33081	100.0
458.33533	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.367
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.43493	1.4
54.39762	1.2
55.05503	5.3
55.65306	1.2
57.07090	1.9
58.13306	1.3
59.32437	1.3
61.74076	1.4
62.75070	1.3
65.12371	1.4
67.05513	10.8
69.07061	9.5
70.73989	5.1
77.18837	1.4
79.05502	7.6
81.07049	24.2
83.08613	5.0
85.06506	1.7
91.05453	5.1
93.07031	20.4
95.08600	57.4
105.07024	14.5
107.08588	43.0
108.50575	1.4
109.06445	2.7
109.10149	27.9
111.08114	2.2
119.08572	22.9
121.10131	34.5
123.11702	9.5
131.08553	3.3
133.10109	19.3
135.11699	21.8
137.13264	2.0
145.10080	5.3
147.11668	20.8
149.13239	17.1
151.11285	1.3
159.11679	6.2
161.13237	14.3
163.14827	32.2
163.51147	1.4
165.12758	1.4
173.13211	3.1
175.14796	10.3
177.16367	13.2
179.14287	2.9
187.14781	8.3
189.16347	23.5
191.17932	25.6
195.17375	1.7
201.16377	5.9
203.17946	35.5
203.19717	2.7
205.19435	7.8
207.17451	4.4
215.17870	4.0
217.19551	9.9
221.19000	4.7
229.19670	2.3
231.21001	9.4
233.18918	2.2
235.16878	3.6
249.18483	5.1
263.20212	1.7
297.25772	3.4
393.35205	6.9
411.36194	100.0
412.36545	3.4
439.35776	17.3
457.36783	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	457.3669
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03937	1.1
55.05492	7.3
57.07063	2.7
67.05504	6.2
69.07053	11.0
69.99541	4.8
79.05475	5.3
81.07050	11.4
83.08596	6.7
85.06525	1.2
89.90445	0.9
91.05459	5.9
93.07034	16.1
95.08593	39.2
97.09594	1.0
97.10159	4.4
105.07010	10.5
107.08575	28.4
108.83144	0.9
109.08982	0.9
109.10146	20.9
110.08860	0.8
110.32567	0.8
111.15417	0.8
118.92107	1.0
119.08565	25.2
121.10123	35.0
123.11698	6.8
131.08562	2.8
133.09111	1.5
133.10110	31.1
133.91347	1.1
135.08063	1.2
135.11667	21.8
139.07550	1.9
143.08620	1.2
145.10124	3.1
147.08058	1.1
147.11667	19.3
149.09598	1.3
149.13272	7.4
153.09105	4.2
159.11679	2.3
161.13239	7.7
163.14803	8.4
165.09093	1.1
167.10672	1.7
171.11545	1.2
173.13261	1.5
175.14819	6.5
177.16402	4.8
179.10556	1.0
187.14868	2.1
189.16348	21.4
191.17918	100.0
192.18259	2.1
201.16422	2.1
203.17926	69.9
204.18288	2.2
205.19490	17.1
207.17407	24.1
213.16092	1.2
215.17928	1.2
221.18958	4.1
224.32851	1.0
227.26593	1.0
231.17537	2.2
231.21109	1.6
235.16872	1.7
249.18462	33.5
370.51715	1.2
411.36276	4.2
439.30762	1.4
439.35825	17.6
457.36301	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63941	3.0
54.17453	3.3
54.31580	3.4
55.05490	12.6
56.17479	2.9
67.05502	24.1
69.07059	20.9
71.04976	3.9
73.06476	3.6
74.32225	3.3
79.05471	14.4
81.03432	2.8
81.07047	39.7
83.08607	13.9
88.10448	3.2
91.05478	19.7
93.07042	37.3
95.04958	4.2
95.08589	53.9
97.10171	5.5
98.20710	8.2
98.21413	19.3
99.08094	3.2
100.65455	3.3
105.07019	31.5
107.08579	51.3
109.06499	18.4
109.10143	100.0
117.06967	4.4
119.08559	50.8
121.10126	75.7
123.08072	6.0
123.11666	15.5
127.11182	17.4
129.07060	3.6
131.08553	11.8
133.10107	57.2
135.08049	3.8
135.11688	18.5
137.13258	8.4
143.08508	10.1
145.10107	28.3
147.11656	30.9
149.13210	15.0
157.10172	15.9
159.11670	21.4
161.13225	21.8
163.14795	15.4
171.11700	20.8
173.13202	18.2
175.14799	19.9
177.12633	3.5
177.16385	8.6
183.11656	6.6
185.13222	9.1
187.14844	18.8
189.16376	18.3
191.14337	4.3
191.17891	7.0
196.12283	3.9
196.41992	3.8
197.13190	6.3
199.14828	7.2
201.16365	9.7
203.14328	6.1
203.17964	8.2
205.15900	7.7
209.13191	3.5
211.14810	5.7
213.16302	6.5
215.17975	8.2
217.15874	4.2
217.19589	4.5
227.17918	12.3
229.19359	5.5
231.17416	5.7
243.17429	4.4
253.19524	6.8
255.21013	4.4
259.20508	5.2
267.21085	5.0
293.22626	5.0
295.24063	12.5
301.77325	3.4
309.25735	10.0
311.23718	5.6
327.26733	8.9
403.33795	21.7
411.36194	4.7
421.34790	49.4
439.36099	37.3
457.32181	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	457.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.6
57.07057	4.3
65.03941	2.5
66.71478	1.9
67.05505	19.5
69.03413	2.2
69.07067	19.6
71.33770	2.8
71.34104	3.4
79.05495	18.3
81.07050	55.4
83.04945	1.9
83.08620	17.3
85.06535	2.3
86.65736	2.0
91.05459	17.1
93.07043	38.0
94.07389	2.5
94.75934	1.9
95.04959	5.8
95.08600	93.7
96.08871	2.6
97.06513	3.7
97.10163	6.3
99.08116	4.4
105.07022	30.8
105.07679	3.5
107.08589	59.6
109.06518	4.7
109.09435	3.6
109.10155	53.3
111.08073	3.0
111.11733	3.2
117.07036	4.6
119.08568	57.4
121.06607	2.3
121.09297	3.2
121.10135	47.1
123.08035	5.9
123.11707	32.6
125.05942	3.3
125.09574	3.8
131.08536	18.6
133.10120	37.9
134.10431	2.4
135.08029	11.6
135.11679	31.7
137.05954	4.2
137.09627	2.6
137.13243	24.0
139.07452	2.2
139.11160	2.7
143.08539	8.3
145.10100	20.8
147.08029	4.5
147.11682	31.5
149.09644	4.2
149.13231	19.7
151.11142	3.7
151.14809	4.5
153.09061	3.6
155.08510	2.9
157.10092	11.3
159.11691	26.7
161.09613	4.9
161.13257	22.3
163.11172	4.0
163.14810	24.0
165.12729	2.0
167.10645	2.2
169.10046	3.4
171.11656	9.1
172.08884	1.8
173.09579	2.5
173.13243	21.8
175.11195	3.7
175.14813	17.4
177.12697	4.6
177.16367	14.7
179.14336	3.1
179.17886	4.9
181.10243	2.1
183.11636	4.8
185.13287	9.6
187.14777	17.3
189.12766	3.3
189.16367	57.7
191.14291	3.9
191.17917	53.5
192.18233	2.9
193.15866	2.6
195.11627	2.4
197.13399	2.5
199.14841	5.8
201.12737	7.0
201.16380	13.0
201.17949	2.3
203.14314	7.3
203.17943	53.0
205.15866	9.6
205.19463	10.1
207.17436	5.4
213.16414	8.6
215.14288	3.1
215.17932	9.5
217.15950	4.6
217.19395	9.3
219.13777	7.5
221.15326	3.2
221.18935	2.2
223.14929	2.7
225.16232	2.3
227.17918	2.6
229.15961	2.5
229.19508	4.6
231.17384	7.5
231.21104	6.2
233.15352	3.6
235.16901	10.6
243.21103	4.4
245.22540	2.5
247.16914	4.5
249.18466	20.6
255.07347	2.2
257.22662	2.9
259.16931	3.0
261.18546	5.2
269.22772	4.3
271.24231	3.2
277.17737	2.1
289.21658	3.0
303.23254	2.2
308.49936	2.0
336.08792	2.1
339.30554	3.0
393.27780	5.7
393.35013	7.9
401.26804	4.7
403.30057	3.7
411.31271	3.2
411.36227	40.7
421.30551	9.5
423.30963	8.7
424.30942	2.4
439.36423	28.5
457.32254	100.0
458.32901	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	457.3674
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05503	2.6
57.03418	0.4
57.07074	1.1
59.04987	0.4
60.65456	0.4
63.10837	0.4
67.05501	4.5
69.03421	0.9
69.07059	3.9
69.37672	4.2
71.04990	0.7
79.05490	2.7
81.07050	9.1
83.04975	4.3
83.08630	1.5
85.06536	0.4
91.05464	3.4
93.07033	8.2
95.04982	1.3
95.08596	14.3
97.06562	1.4
97.10172	1.2
105.07029	8.8
107.08585	13.2
109.06532	1.4
109.10147	9.3
111.08126	0.7
111.11752	0.6
117.07011	1.0
119.08577	10.6
120.08884	0.5
121.06525	0.8
121.10142	9.7
123.08094	1.7
123.11698	3.5
125.09690	1.4
129.07034	0.7
131.08551	2.8
133.10120	8.8
133.11034	0.5
135.08070	1.8
135.11693	9.1
135.12680	0.6
137.09666	1.5
137.13297	1.0
143.08585	1.8
145.10095	4.6
147.04359	0.6
147.08095	1.5
147.11668	4.6
147.12581	0.4
149.09621	3.6
149.13245	3.5
151.11186	0.8
155.08511	0.9
157.10094	2.4
159.11670	3.3
161.09622	3.0
161.13243	4.1
163.11218	0.7
163.14771	2.6
169.10121	0.7
171.11646	1.8
173.09679	0.6
173.13263	3.3
175.11281	1.9
175.14825	7.5
175.16237	0.6
177.12822	0.6
177.16383	6.7
179.14310	0.8
181.10164	0.5
183.11694	0.7
185.13208	1.9
187.14815	4.5
189.12776	0.7
189.16365	6.7
189.17851	0.5
191.14392	0.8
191.17932	2.4
193.15942	0.7
197.13251	0.6
198.74594	0.4
199.14894	1.7
201.12750	1.1
201.16409	2.2
203.14366	2.2
203.17949	5.8
205.15883	0.6
207.17537	1.2
211.14798	0.7
213.16264	1.9
215.14510	0.8
215.17972	0.8
217.15916	2.1
217.19547	0.5
219.17641	0.8
221.15500	0.8
221.18933	1.9
223.16982	0.5
227.18082	1.2
229.15985	0.7
229.19608	0.8
231.17476	2.1
235.17050	1.6
241.19540	0.6
243.17526	0.7
245.19168	0.9
249.18524	2.6
255.21188	0.8
257.22650	0.8
259.20810	0.6
267.21265	0.6
273.22284	1.3
279.29117	0.4
283.20532	0.5
285.22266	2.2
303.23123	2.5
409.34537	0.6
421.35098	0.9
427.35858	1.2
439.36185	5.5
457.36945	100.0
458.37302	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	7.2
65.09158	5.7
65.88107	5.6
67.05500	8.6
69.03432	14.8
70.06596	31.6
70.06915	6.0
71.63342	12.3
72.08134	17.0
73.02941	7.4
75.27678	5.9
79.05499	6.6
81.07049	7.7
83.04958	6.2
84.08119	10.5
85.02892	54.7
85.24900	5.7
86.09679	18.3
87.39036	7.0
91.05476	100.0
93.07012	16.9
95.04977	10.4
95.08582	7.2
97.02865	25.0
99.04440	17.8
99.56512	7.3
103.03928	40.8
105.06995	15.1
106.07366	7.5
107.04922	7.2
107.08545	13.3
109.02863	9.9
109.10059	6.5
116.98626	9.2
119.04846	7.3
120.08112	6.7
121.02863	9.1
122.75112	5.8
123.18079	6.4
127.03916	57.0
133.10135	9.1
134.06006	19.1
135.04457	7.7
136.07486	6.9
139.03947	6.5
141.54045	6.1
143.08638	6.6
145.04959	46.0
145.10107	7.1
145.12209	9.6
146.12587	7.6
147.04375	24.1
148.04770	10.1
152.07060	45.8
163.06013	37.0
173.13260	6.4
187.16893	6.7
192.89169	6.6
203.05226	6.7
221.07341	6.8
249.55965	6.5
297.07565	23.5
303.04941	19.8
305.98196	6.0
307.10254	11.8
327.07599	7.4
458.07565	11.9
458.24896	55.1
459.14746	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.9
55.05506	6.3
57.03411	1.7
57.07053	1.3
59.04980	1.8
61.17121	0.7
66.65559	0.7
67.05173	0.9
67.05498	12.1
69.03424	6.8
69.06724	0.8
69.07059	9.1
69.41564	7.5
71.04971	2.2
73.46176	0.6
74.36246	0.7
77.61086	0.7
79.05469	3.0
81.03385	3.3
81.06632	1.1
81.07052	13.0
83.04980	7.4
83.08597	4.7
85.02892	5.8
85.06521	3.0
87.00798	1.8
91.05455	3.1
93.07034	6.0
95.04926	1.5
95.08593	24.2
97.02882	3.4
97.06525	1.2
97.10178	2.1
99.04437	1.0
99.08058	2.1
105.06998	5.5
107.04958	0.9
107.08578	14.5
109.02860	2.6
109.06509	7.4
109.10143	76.6
110.10468	1.5
111.08064	1.9
113.09642	1.9
119.08567	26.5
120.08893	1.0
121.10135	9.7
123.08058	8.9
123.11676	7.1
125.09595	1.8
127.03917	5.1
131.08511	1.4
133.10114	14.9
135.11674	69.1
136.11995	2.1
137.09610	13.1
139.11140	1.9
145.10132	1.0
147.11620	1.6
149.13251	4.7
151.11143	6.8
151.14786	9.9
153.12729	1.5
159.11647	0.9
165.09062	4.3
165.16405	2.5
167.07005	1.0
169.04991	1.9
175.14812	33.6
179.68059	0.7
187.47577	0.7
193.15858	42.8
209.01126	0.8
211.16908	100.0
212.17235	2.6
315.05347	2.8
331.58667	0.9
333.06387	1.9
459.09729	4.0
459.20663	1.1
459.26910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21668	0.7
53.03933	1.1
55.01854	1.8
55.05507	4.7
57.03425	1.9
67.05495	5.6
67.11060	0.7
69.03129	0.7
69.03422	8.7
69.07061	6.0
70.06580	1.0
70.83651	2.6
71.04965	3.2
73.02894	0.9
79.05466	4.6
81.03406	5.0
81.07046	8.4
81.62038	0.7
83.04983	4.0
83.08607	3.5
85.02901	11.7
85.06532	2.1
86.09706	1.4
87.00810	4.3
91.05466	4.7
93.07030	9.0
95.04943	3.3
95.08034	1.3
95.08599	16.1
97.02886	5.0
97.06509	3.2
97.10126	1.4
99.04426	2.6
99.08080	1.8
103.03871	0.8
105.01852	3.1
105.07031	7.8
107.04919	1.3
107.08582	11.0
109.02851	3.1
109.06514	4.0
109.10147	21.6
111.08077	11.2
113.09647	0.7
115.05522	0.9
117.06995	2.0
119.08564	14.6
120.08195	0.9
121.06488	1.8
121.10133	10.5
123.04402	2.0
123.08057	9.9
123.11704	4.9
125.05959	6.2
125.09586	1.7
127.03914	7.0
129.06998	1.2
131.04884	1.1
131.08539	3.3
133.10120	15.0
135.08052	1.2
135.11682	13.5
137.05971	2.0
137.09595	21.2
137.13242	1.4
138.10333	2.5
139.03784	1.1
139.07631	0.9
139.11125	1.5
142.07718	0.7
143.07001	1.2
143.08571	1.2
145.04936	2.7
145.06458	2.0
145.10110	4.3
147.04411	1.1
147.08037	1.5
147.11652	3.1
149.05946	0.7
149.09636	1.2
149.13222	5.3
151.03836	0.9
151.07529	1.7
151.11139	1.8
151.14821	2.4
153.01759	1.6
157.10098	2.0
159.08051	1.0
159.11688	2.2
161.05923	1.3
161.09601	2.3
161.13293	1.9
163.07536	0.9
163.11201	1.7
165.05336	0.7
165.09117	3.6
165.12717	3.4
165.16365	1.9
167.06999	1.5
171.11592	1.0
173.13187	0.8
175.11166	1.5
175.14816	18.1
183.11685	1.7
185.13298	1.0
187.14848	1.3
189.12750	1.8
191.14264	1.7
193.12285	0.9
193.14189	1.3
193.15866	18.6
197.13278	1.3
203.14217	0.8
203.17998	1.2
207.13776	1.1
211.16911	100.0
212.17146	2.1
231.05122	1.0
279.06439	0.9
297.07553	23.9
298.07782	2.1
301.12747	1.8
319.13812	2.5
384.68338	0.7
403.20642	0.9
415.10257	1.6
459.17435	0.9
459.26886	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01870	5.0
55.05505	15.6
57.03424	2.7
59.04992	0.6
63.83225	0.4
65.03915	1.3
65.19189	0.5
67.05499	21.6
69.03421	3.0
69.07066	6.2
70.31190	0.9
70.31590	1.7
71.04977	2.2
79.05484	23.7
81.03410	47.8
81.07052	19.4
81.07551	0.3
83.04977	5.6
83.08610	12.5
85.02911	0.6
85.06518	1.7
91.05472	24.4
93.07037	13.1
95.04964	17.4
95.08038	0.7
95.08604	10.2
97.02876	1.6
97.06500	2.7
97.10162	8.8
98.20776	0.5
99.08078	1.0
103.05424	1.3
103.64560	0.4
105.04485	0.6
105.07020	17.5
107.04948	11.1
107.08585	9.4
109.02871	0.5
109.06509	3.8
109.10141	3.9
111.04418	1.5
111.08057	5.9
115.05424	2.2
117.06995	6.0
119.04918	1.5
119.08569	14.0
121.06489	5.9
121.10123	4.6
123.04402	1.3
123.08045	3.5
123.11726	1.3
125.05965	0.5
125.09610	7.4
127.07502	0.6
128.06207	1.8
129.06989	10.7
131.04874	3.2
131.08549	12.6
133.06479	4.4
133.10120	9.0
135.08003	2.7
135.11655	1.5
137.05931	0.7
137.09581	1.8
141.06964	1.6
142.07800	2.8
142.08755	0.6
143.08559	3.5
143.10660	0.9
144.05652	1.1
145.06474	13.5
145.10098	5.0
147.04367	1.2
147.08057	4.9
147.11668	6.8
149.05940	0.5
149.09613	4.0
151.07539	1.4
151.11163	0.7
153.09077	2.1
153.12691	0.5
155.08514	2.6
157.06548	2.7
157.10112	9.3
158.07150	0.5
159.08084	2.2
159.11673	1.5
161.05989	1.9
161.09605	1.9
163.11179	1.8
165.09100	4.2
165.12778	1.4
167.08524	1.5
169.06461	1.3
169.08908	0.5
169.10043	2.4
171.08029	2.6
171.11694	2.0
173.09636	1.9
173.13205	0.9
175.07623	0.7
175.11163	9.0
175.14766	0.7
177.12807	0.7
179.08507	0.5
181.10081	1.3
183.08017	1.1
183.11584	1.2
185.06062	0.5
185.09616	2.0
185.13255	1.8
187.11224	1.0
187.14792	0.8
189.09651	0.7
189.11188	3.5
189.12781	1.3
193.10416	1.2
193.12222	26.5
195.08107	0.9
195.11674	2.0
197.09595	1.1
197.13278	2.0
199.11221	2.2
201.12842	0.6
203.14250	1.3
205.12189	0.9
207.11917	0.6
207.13887	0.6
209.09660	1.2
209.13307	1.2
211.11322	0.9
211.13319	1.7
211.15091	0.6
213.12717	1.5
215.10704	0.6
215.14296	1.9
217.12137	0.7
223.11171	1.2
223.13190	1.0
225.12698	0.8
227.14549	2.4
231.13744	1.2
233.15257	2.5
235.11205	1.2
237.12691	1.9
243.13701	0.8
245.15463	0.8
249.12599	0.6
249.14862	3.5
255.13770	3.7
257.15292	0.6
259.13269	0.8
261.14850	0.5
267.15741	0.9
269.15338	0.7
271.17099	1.1
273.14825	9.9
281.15396	0.7
283.16946	0.9
287.16553	0.8
321.22021	0.9
331.20453	1.0
339.23074	3.2
349.21613	9.1
357.24133	2.7
367.22626	22.1
385.18698	1.2
385.23691	24.5
386.24124	0.7
387.22806	0.6
403.24860	5.2
405.24216	1.5
423.25314	1.5
441.26309	4.9
441.33411	1.4
459.27377	100.0
460.27731	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	459.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17790	0.5
53.03930	1.4
53.11506	0.6
54.83786	0.5
55.01852	0.9
55.05504	3.5
57.07047	1.9
65.03932	0.7
67.05496	5.7
69.03422	0.9
69.07065	4.4
71.04962	1.0
71.36954	0.8
73.02897	0.6
79.05468	6.3
81.03396	1.8
81.07049	8.8
83.04945	1.6
83.08595	2.9
85.06532	1.4
91.05472	8.3
91.42129	0.6
91.93982	0.6
93.07032	9.7
94.60938	0.7
95.04971	3.5
95.08034	1.0
95.08595	11.5
97.06505	1.7
99.08087	6.3
103.05464	0.9
105.07019	17.9
107.04945	2.1
107.08576	11.2
109.06522	3.4
109.10148	8.2
111.08049	0.8
115.05436	0.7
117.06999	3.9
119.08562	13.9
121.06495	3.5
121.10126	10.1
121.10926	1.3
123.08053	2.3
123.11697	1.9
125.09592	1.0
127.07516	2.6
128.06192	1.7
129.06981	2.7
131.08548	11.1
133.06482	6.7
133.10117	12.9
135.08035	27.5
135.11626	3.5
137.09578	2.1
137.13251	0.7
141.06999	1.3
142.07750	1.4
143.08524	4.9
145.06441	1.9
145.10100	11.0
147.08009	5.5
147.11678	6.1
149.09583	5.0
149.13260	2.9
151.07483	1.0
151.11157	1.2
155.08513	2.7
156.09225	1.0
157.06635	0.6
157.10106	6.9
159.07977	2.5
159.11656	8.2
161.09599	9.5
161.13232	4.6
163.11220	1.9
163.14780	3.1
165.09081	4.3
165.75627	0.7
167.08546	1.2
169.10109	2.9
171.08044	1.1
171.11684	4.6
172.08778	0.7
173.09572	2.5
173.13226	5.1
174.10420	0.7
175.11169	9.0
175.14828	4.9
177.12724	2.0
177.16362	1.5
179.08554	0.7
179.14226	0.9
181.10074	1.6
182.10820	1.2
183.07880	0.6
183.11722	3.9
185.09637	1.3
185.13214	4.8
187.11200	2.3
187.14813	5.5
189.12740	4.0
189.16383	3.1
191.14220	0.9
193.10132	1.4
193.12061	0.9
195.11649	1.4
197.09596	0.8
197.13171	3.4
199.11015	0.6
199.14801	3.9
201.12743	3.0
201.16338	2.3
203.14284	21.0
204.14665	0.8
205.15874	6.1
207.11696	0.8
209.13231	2.0
211.11116	0.7
211.14845	1.7
213.12704	1.0
213.16296	1.6
215.14264	2.3
215.17892	0.9
217.15834	8.9
219.13770	1.3
219.17455	1.3
221.15309	1.4
223.11211	0.9
223.16914	3.5
225.12680	1.2
225.16284	0.9
227.17870	0.7
229.15831	1.2
231.17343	0.8
233.15523	1.1
237.12743	1.4
241.19415	1.1
242.35780	0.6
243.17615	0.7
247.14708	0.7
255.17361	0.7
267.17480	0.9
269.18832	0.7
335.20117	0.7
349.21631	1.3
367.22693	3.4
382.82852	0.6
385.23657	1.2
405.31445	2.5
423.33139	4.1
441.25308	4.8
441.34271	8.4
459.30887	100.0
460.31458	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	459.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05494	12.8
57.07058	2.7
67.05495	16.2
69.07053	19.2
70.74979	8.4
71.05002	3.0
79.05495	15.6
81.07050	23.8
83.04945	2.8
83.08611	9.0
85.06501	4.6
86.09697	4.0
91.05480	15.5
93.01560	2.6
93.07024	29.7
95.04941	3.9
95.08591	44.3
96.60265	2.6
97.10194	3.7
98.21095	5.0
105.07013	34.5
107.04929	3.0
107.08577	45.5
109.06488	9.9
109.10136	42.1
111.08074	4.8
111.11751	3.2
117.07037	6.8
119.08561	57.5
121.06531	2.9
121.10120	49.9
123.08065	5.1
123.11690	8.2
125.09598	3.5
128.06187	3.2
131.08569	19.4
133.10095	36.0
135.11644	21.6
135.40889	2.8
137.06009	3.3
137.09587	3.0
137.13252	3.4
143.08601	13.3
145.10118	46.7
147.11667	25.8
149.09601	4.9
149.13206	11.1
151.11267	3.5
155.08542	11.6
157.10103	10.1
159.11670	28.2
159.12845	3.3
161.09526	3.3
161.13260	15.9
163.11220	8.4
163.14830	18.7
165.09093	4.0
165.12762	5.5
167.10583	4.2
169.10094	9.5
171.11702	9.7
173.13295	15.2
175.11247	4.1
175.14844	16.0
177.09106	3.3
177.16280	6.1
179.10591	2.9
181.12228	3.8
183.11708	9.9
184.07301	6.4
184.39403	2.7
185.13226	11.2
187.14806	100.0
189.12726	5.9
189.16348	20.6
191.17882	6.2
195.13866	7.0
197.09732	2.6
197.13269	5.6
199.14799	9.8
201.12633	3.1
201.16359	23.8
203.14218	7.0
203.17926	6.2
205.12387	3.0
205.15848	6.2
207.13826	9.9
211.14824	6.0
213.16362	15.6
215.10600	4.0
215.17938	7.0
221.15260	13.0
223.14986	3.3
225.16399	13.8
227.17966	8.4
229.12292	3.1
229.15714	3.2
229.19530	5.8
235.16924	4.3
239.17885	3.8
241.19441	4.3
247.16978	13.9
255.17313	3.8
267.17502	6.1
267.20834	3.1
271.17038	4.9
279.21127	2.9
281.22650	6.4
285.18405	14.5
299.20117	5.6
323.27408	4.7
327.31744	3.0
332.29340	3.6
333.25616	4.0
335.27536	5.4
351.26862	3.9
353.28314	3.6
358.61987	2.8
369.27798	10.4
377.28220	20.4
379.26224	9.0
395.29410	72.0
396.29929	3.2
397.27170	8.4
397.31168	7.7
403.20309	3.2
405.27094	3.1
423.28827	11.3
441.29532	42.4
459.35529	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	459.3464
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05498	4.5
67.05501	8.8
69.03419	3.1
69.07063	6.1
71.63063	2.5
79.05493	5.9
81.07047	17.0
83.04964	1.8
83.08598	4.7
91.05463	8.7
93.07029	15.3
95.04964	4.9
95.08598	22.8
97.06503	3.6
97.10188	2.5
99.08088	4.3
105.07008	19.7
107.04965	1.3
107.08573	21.5
109.06511	5.8
109.10155	14.1
111.08039	2.1
111.11703	1.4
111.86089	1.1
117.06989	3.0
119.08575	21.7
121.06473	3.5
121.10136	20.1
123.08035	2.7
123.11688	4.5
127.07513	1.8
129.06987	1.5
131.08554	9.2
133.10114	17.8
135.08040	6.3
135.11656	8.5
137.09607	4.2
137.13213	1.8
143.08572	2.8
145.10114	11.8
147.08035	2.8
147.11658	8.9
149.09607	10.8
149.13254	5.0
151.11143	2.2
152.71523	1.3
155.08591	1.4
156.09306	1.3
157.10138	6.5
159.08051	1.3
159.11671	11.4
161.09584	3.7
161.13249	5.5
163.11179	3.6
163.14836	4.5
165.09125	1.4
169.10277	1.6
171.11681	4.1
173.13193	9.9
175.11145	3.0
175.14792	10.3
177.12788	2.1
177.16364	8.8
183.11678	3.0
185.13223	3.1
187.11084	1.6
187.14832	6.6
189.12680	2.2
189.16388	4.1
191.14323	4.4
191.17906	1.3
197.13197	3.3
199.14789	4.3
201.12775	2.1
201.16373	3.5
203.14249	5.8
203.17940	1.6
205.15887	5.1
211.14842	1.5
213.12836	3.1
213.16260	2.5
215.14346	1.7
215.18004	3.6
217.15889	3.7
219.17421	3.8
223.14799	1.4
225.16344	1.9
227.14223	1.6
227.17775	1.3
229.19629	1.7
233.15321	1.7
233.18874	1.5
235.14732	1.8
239.18121	1.3
243.17564	1.4
245.18959	1.9
253.19548	1.9
281.19070	1.7
281.22430	1.6
291.07785	1.4
299.20132	2.8
313.25116	2.0
363.25601	1.4
365.28278	1.8
393.31418	5.2
395.32925	1.7
405.31485	15.4
411.32584	4.0
423.32510	44.3
424.33011	2.0
441.33530	25.6
441.38953	2.2
442.34189	1.6
459.34610	100.0
460.35126	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3463
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03933	0.5
55.01860	0.5
55.05295	0.2
55.05505	2.3
57.03416	0.2
57.07056	0.7
59.04991	0.3
65.03939	0.4
67.05499	3.6
69.03400	0.6
69.07060	3.3
70.16478	0.5
70.16891	0.7
71.04965	0.5
72.83250	0.2
79.05479	4.3
81.03396	0.5
81.06565	0.5
81.07045	9.1
83.04958	0.7
83.08615	2.5
85.02848	0.4
85.06501	0.4
86.53369	0.2
91.05470	4.3
92.05813	0.3
93.07030	8.0
95.04955	1.7
95.08595	11.2
97.06536	1.2
97.10146	0.9
99.08044	0.3
104.46756	0.2
105.07015	9.7
107.04954	1.1
107.08578	13.3
108.08893	0.4
109.06505	4.7
109.10145	5.8
111.08054	1.0
115.05487	0.3
117.07011	1.9
119.08568	11.5
120.08890	0.3
121.06527	1.8
121.10130	10.3
123.08057	4.9
123.11658	1.7
125.09637	1.2
128.06183	0.2
129.06993	1.0
130.07758	0.4
131.08546	7.1
133.06456	0.7
133.10114	8.4
134.10368	0.2
135.08041	3.3
135.11659	2.9
137.09599	2.7
137.13206	0.3
141.06979	0.3
142.07755	0.5
143.08524	2.7
144.09283	0.3
145.06432	0.5
145.10115	8.6
146.10535	0.3
147.08020	1.0
147.11671	7.9
149.09599	2.8
149.13239	3.1
151.11177	1.5
153.12778	0.3
155.08540	0.5
156.09338	0.5
157.10104	3.4
158.10841	0.5
159.08026	0.3
159.11684	6.3
161.09621	1.2
161.13234	3.6
163.11101	1.3
163.14795	3.6
165.09071	0.3
167.10675	0.4
169.10104	1.0
170.10843	0.4
171.11636	2.1
173.09584	0.5
173.13239	5.8
174.13713	0.4
175.11172	1.3
175.14799	5.1
177.12764	1.2
177.16357	2.9
183.11636	0.8
185.13208	3.5
187.11212	0.5
187.13112	0.5
187.14798	7.7
188.15129	0.4
189.12714	0.9
189.16371	1.6
191.14268	3.6
191.17909	0.5
193.12193	0.5
195.11685	0.4
197.13210	0.6
199.11160	0.4
199.14786	2.0
201.12698	0.7
201.16353	4.9
202.16867	0.3
203.14291	10.9
203.17917	3.7
204.14661	0.4
205.15851	17.0
206.16109	0.8
209.13290	0.5
211.14789	0.7
213.16307	1.9
214.17027	0.2
215.14323	0.5
215.17915	3.6
217.15782	0.6
219.17444	1.6
221.13313	0.4
221.15291	2.1
225.16280	0.5
227.14323	0.4
227.17935	0.7
229.15874	0.5
229.19475	0.5
231.17444	0.6
237.16396	0.3
239.16251	2.7
241.19516	0.6
243.17398	0.3
243.20966	0.5
245.15387	0.3
245.18922	0.3
251.18115	0.3
253.19353	0.5
255.18440	0.3
255.20935	2.0
257.22757	0.3
267.21152	0.3
269.19092	0.3
269.22760	0.7
273.14597	0.3
280.26340	0.9
281.22495	0.3
283.20712	0.3
287.23666	0.4
309.22101	0.5
327.23172	0.6
349.21747	0.3
363.25302	3.0
365.28461	0.3
367.22656	0.6
387.30356	0.4
389.26810	3.9
393.31573	0.6
395.33319	0.3
403.29007	0.3
404.73932	0.2
405.31778	1.4
423.32758	3.4
441.26202	0.4
441.27460	0.4
441.33865	4.5
442.33856	0.3
459.34631	100.0
460.34961	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	459.3467
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
53.03935	0.8
55.01869	0.9
55.05508	3.9
56.98357	0.7
57.03427	0.9
57.07061	1.5
67.05495	8.5
69.03435	0.8
69.07064	5.3
70.82793	2.1
71.04987	1.2
72.54089	0.8
79.05480	7.0
79.77303	0.6
81.03400	2.0
81.07053	13.3
83.04974	1.7
83.08613	3.4
91.05479	6.2
92.81905	0.6
93.07032	12.8
93.65099	0.7
95.04967	3.3
95.08595	17.6
97.06509	2.0
97.10157	1.9
99.08102	1.5
105.07017	14.7
107.04952	1.6
107.08588	19.7
108.08884	0.6
109.06498	4.9
109.10149	10.4
110.18090	0.6
111.04472	0.8
111.08069	2.2
117.07024	2.6
119.08569	17.9
121.06508	2.2
121.10129	15.0
121.10995	0.8
123.08086	5.6
123.11689	2.2
125.09634	1.2
127.07508	0.7
129.06982	2.1
129.09105	1.2
131.08551	10.1
133.06493	1.2
133.10115	12.5
135.08047	5.3
135.11699	5.0
137.09647	2.1
137.13232	0.9
139.11154	0.7
142.07794	0.7
143.08534	3.1
144.09290	0.7
145.10120	11.9
147.08038	2.2
147.11673	11.5
149.09628	3.4
149.13245	6.8
151.07616	0.6
151.11186	1.3
155.08540	1.6
156.09375	0.9
157.10081	5.3
159.11685	10.4
161.09639	2.4
161.13242	5.8
163.11223	1.4
163.14825	4.9
165.12762	1.0
169.10196	1.1
170.10922	0.9
171.11693	3.7
173.09526	1.1
173.13243	8.6
175.11166	1.8
175.14796	7.1
177.12746	1.4
177.16359	5.1
181.10152	0.9
183.11703	1.5
184.07372	0.6
185.13188	5.6
187.11227	1.1
187.14803	11.6
189.12718	1.8
189.16403	2.6
191.10736	0.9
191.14284	5.5
191.17972	1.4
197.13243	1.3
199.14795	2.3
201.16342	6.9
203.14319	8.5
203.17905	1.4
205.15857	22.2
207.13701	0.9
209.13086	0.7
211.14856	1.4
213.16359	2.6
215.17923	4.5
217.15825	1.4
219.17453	2.0
221.15355	2.5
227.17941	0.9
229.15907	0.8
229.19495	1.2
231.17404	1.3
239.16260	4.2
253.19374	0.9
255.21176	1.9
287.23755	1.1
327.23151	0.9
343.37238	0.7
363.25122	3.6
367.22476	1.1
385.23529	1.5
387.30371	1.0
389.26892	2.0
393.31674	1.1
405.31668	4.0
411.32468	5.4
423.32730	5.5
441.33743	11.6
442.34222	0.8
458.16708	0.8
459.27859	4.6
459.34683	100.0
460.34973	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3465
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03935	3.6
54.77658	1.5
55.01872	4.2
55.05505	18.1
55.18355	1.7
57.03430	3.7
57.07060	4.7
59.04998	2.4
65.03911	2.3
67.05499	29.2
69.03414	7.7
69.07062	19.8
69.47662	14.9
71.04976	4.1
79.05484	30.1
81.03405	11.2
81.07047	43.4
82.07351	2.7
83.04971	7.1
83.08601	12.9
85.02884	4.0
85.06506	3.9
91.05465	33.9
93.06461	3.8
93.07030	47.0
95.04965	16.7
95.08596	49.4
97.06516	5.4
97.10142	4.5
99.04453	1.8
99.08081	35.6
103.05408	3.4
105.07018	80.6
107.04964	4.1
107.07854	3.3
107.08582	62.4
109.02869	2.2
109.06494	9.0
109.10140	41.2
111.04421	2.0
111.08044	7.6
113.06010	1.9
115.05447	4.3
117.07017	14.7
119.04930	2.5
119.08568	74.8
121.06478	7.9
121.10130	52.6
121.11008	3.4
123.04409	2.4
123.08049	10.0
123.11704	10.5
125.09608	5.7
127.03909	2.5
127.07523	6.0
128.06212	5.8
129.07004	13.7
130.07803	1.9
131.08554	49.3
133.06496	13.3
133.10110	54.3
135.08043	15.8
135.11682	19.6
137.09604	7.4
137.13246	4.7
141.06985	7.1
142.07733	6.9
143.08536	23.5
144.09270	4.0
145.06491	5.9
145.10106	50.2
147.08037	10.0
147.10603	1.9
147.11668	31.8
149.09573	16.3
149.13251	12.8
151.11118	7.6
153.07005	4.8
155.08511	15.8
156.09355	4.0
157.06544	3.4
157.10130	23.4
159.08060	4.7
159.11671	37.1
161.09612	10.1
161.13254	26.0
163.11160	13.3
163.14803	14.8
165.06970	2.8
165.09103	8.5
166.07672	2.7
167.08563	8.1
168.09261	2.4
169.10098	17.8
170.10909	2.9
171.08115	4.8
171.11655	17.7
172.08707	2.0
172.12193	2.4
173.09482	3.1
173.13229	30.3
175.11189	6.4
175.14789	33.8
177.12752	5.3
177.16344	14.6
178.07697	2.4
179.08534	3.8
180.12234	1.9
181.10036	9.0
183.08034	4.3
183.11671	16.6
185.09657	5.1
185.13261	17.9
187.11191	4.2
187.14807	36.1
189.12729	4.7
189.16350	15.8
191.14273	8.3
191.17943	4.3
192.09213	2.4
193.10136	3.9
193.15869	2.8
195.08057	5.3
195.11700	8.1
196.08794	3.0
197.09590	7.3
197.13220	10.8
199.14763	27.3
201.12724	6.6
201.16382	17.5
203.14282	30.1
203.17972	4.1
205.10194	2.9
205.15863	39.3
207.11736	3.7
207.17531	3.2
209.09575	4.1
209.13217	6.3
211.11179	5.1
211.14827	7.0
213.12758	3.8
213.16348	9.0
215.14314	4.2
215.17924	7.2
217.15825	25.2
219.11697	2.1
219.17462	6.8
220.14140	2.2
221.13445	3.1
221.15372	8.0
223.11232	3.8
223.14772	6.9
223.16922	25.8
224.17288	2.1
225.12674	5.0
225.16295	3.5
227.17859	4.1
229.15898	3.4
231.17409	5.4
235.16914	4.4
237.12753	3.1
237.16287	2.1
239.14233	2.6
239.17873	2.7
243.17371	2.3
253.19580	4.4
257.19073	2.5
265.19601	2.1
271.20285	2.1
285.21982	2.6
297.22104	2.4
307.20502	3.2
325.21713	2.9
339.23105	5.8
349.21536	7.3
351.26752	3.6
363.30228	2.1
367.22742	17.5
381.31424	3.9
385.23669	9.1
387.30560	3.6
393.31348	3.9
405.31482	28.1
423.26166	3.0
423.32568	33.4
424.33008	4.0
429.26514	2.1
441.26337	44.9
441.33557	90.3
442.26544	5.0
442.33636	4.3
459.27396	39.0
459.34552	100.0
460.27591	3.5
460.34909	6.7
479.17206	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3462
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.01603	0.2
50.11603	0.2
53.03927	0.4
55.01854	0.4
55.05500	3.0
57.03406	0.6
57.07039	0.5
59.04966	0.3
65.03912	0.4
67.05494	5.6
69.03393	0.8
69.06724	0.3
69.07060	3.7
70.99578	0.2
71.04958	0.6
71.14637	0.4
73.21635	0.2
77.03883	0.3
79.05482	6.4
81.03414	3.4
81.07045	11.3
83.04962	1.8
83.08199	0.2
83.08609	2.4
85.06519	0.4
91.05466	7.1
93.07034	11.5
95.04957	3.4
95.08595	15.6
96.08907	0.5
97.06528	1.5
97.10163	1.3
99.04404	0.3
99.08060	0.7
103.05404	0.3
105.07016	13.3
107.04946	1.1
107.08581	17.6
109.06502	3.6
109.10141	8.6
109.10673	0.1
111.04414	0.4
111.08074	1.5
113.05965	0.2
115.05428	0.3
116.06181	0.4
117.06988	2.8
119.08563	15.8
120.08865	0.3
121.06503	2.1
121.10126	16.0
122.10431	0.4
123.08056	3.3
123.11675	1.5
125.09604	1.2
127.07589	0.2
128.06203	0.5
129.06996	1.7
130.07747	0.3
131.08551	10.5
133.06468	0.6
133.10112	9.0
134.10431	0.2
135.08051	3.0
135.11678	4.1
137.09596	2.7
137.13217	0.6
139.11192	0.3
142.07742	0.7
143.08545	3.9
144.09341	0.4
145.06442	0.3
145.10106	10.9
146.10638	0.3
147.08046	1.6
147.11664	11.2
148.12015	0.3
149.09601	3.1
149.13239	6.9
151.11131	1.0
153.09071	0.3
155.08522	0.9
156.09296	0.6
157.06367	0.2
157.10098	4.8
158.10825	0.6
159.08038	0.5
159.11670	9.1
160.12141	0.2
161.09578	2.0
161.11925	0.4
161.13231	4.9
163.11194	1.3
163.14799	5.0
164.15103	0.3
165.09097	0.8
165.12729	0.6
167.08572	0.3
167.10626	0.8
169.10085	1.3
170.10857	1.0
171.11662	2.9
172.12288	0.3
173.09653	0.4
173.13235	8.9
174.13602	0.4
175.11177	2.2
175.14796	6.6
176.15105	0.3
177.12759	1.4
177.16377	5.2
179.10635	0.3
179.14191	0.2
183.11627	1.3
185.09697	0.3
185.13205	5.2
186.13930	0.2
187.11298	0.4
187.14803	13.0
188.15196	0.3
189.12759	0.7
189.16359	1.8
191.12621	0.4
191.14288	6.3
191.16054	0.4
191.17908	0.8
192.14574	0.2
193.12206	2.1
193.15851	0.7
195.11681	0.6
197.11650	0.2
197.13159	1.0
199.11267	0.2
199.14828	2.7
201.12700	0.6
201.16356	7.2
203.14296	9.5
203.17905	1.7
205.15849	32.8
206.16202	0.7
207.13689	0.2
209.13243	0.6
211.13087	0.3
211.14890	0.9
213.12819	0.3
213.16386	2.3
214.17078	0.4
215.14525	0.5
215.17923	6.0
217.12213	0.3
217.15904	0.5
217.19441	0.5
219.17410	2.4
221.15327	3.4
223.14903	0.4
223.16890	0.8
225.16364	0.7
227.17889	1.1
229.15843	0.7
229.19469	0.9
231.17404	0.7
233.15327	0.3
237.16319	0.3
239.13921	0.4
239.16298	7.0
241.19464	1.4
243.17375	0.3
243.21092	0.6
245.15231	0.2
249.14726	0.3
249.18671	0.2
251.17975	0.4
253.19472	0.6
255.17188	0.3
255.21043	3.2
257.22592	0.5
265.19492	0.3
267.21286	0.4
269.19412	0.2
269.22650	1.1
273.14795	0.3
275.23871	0.4
279.20953	0.3
281.22479	0.3
287.19980	0.3
287.23770	0.4
327.23157	0.3
349.21402	0.4
363.25351	0.7
367.22604	0.6
385.23758	0.6
387.30591	0.6
389.26840	0.4
393.31458	0.5
405.31577	2.4
411.32352	0.3
423.32639	3.2
441.26663	0.4
441.33594	6.6
442.34082	0.3
459.34607	100.0
460.27826	0.6
460.34937	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	459.3463
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
50.40923	1.3
55.01864	2.3
55.05502	11.4
56.63068	1.1
57.03427	3.8
57.07066	1.7
59.04997	1.5
67.05498	14.4
69.03432	2.6
69.07067	12.7
71.04975	2.1
71.14262	2.8
79.05482	15.8
81.03410	9.6
81.07047	27.6
81.07507	1.9
83.04968	4.4
83.08620	7.7
83.09049	1.0
84.08866	1.4
85.06532	2.4
88.86600	1.2
91.05462	18.0
91.14843	1.1
93.07029	25.4
95.04945	12.0
95.08593	29.8
97.06525	3.7
97.10139	2.7
99.08083	8.8
103.05464	1.9
105.07018	53.2
106.07333	2.0
107.04949	3.7
107.08578	39.9
107.09283	2.6
109.06507	8.4
109.10147	23.7
111.08097	3.3
115.05446	2.3
117.07007	10.7
119.08566	41.0
121.06488	4.1
121.10127	32.4
123.08085	3.9
123.11709	6.3
125.09576	3.2
128.06181	2.8
129.06999	8.4
130.07808	1.9
131.08554	32.6
133.06471	8.1
133.10110	26.9
134.10568	1.6
135.08014	6.3
135.11667	9.8
137.09616	3.9
137.13245	3.6
141.06966	4.0
142.07767	2.6
143.08533	13.3
145.06480	4.2
145.10104	30.7
147.08055	3.0
147.11670	22.0
149.09586	5.6
149.13245	7.8
151.11182	4.8
153.07016	2.1
154.07764	1.7
155.08513	8.5
156.09238	2.7
157.10121	13.4
158.10884	2.1
159.08028	2.2
159.11670	19.0
161.09615	4.9
161.13232	14.5
163.11183	5.2
163.14812	9.3
165.06912	2.2
165.09076	1.9
165.12723	1.4
166.07802	1.9
167.08589	4.1
167.10634	1.3
169.10147	8.8
170.10878	3.0
171.08067	2.6
171.11685	11.6
172.12434	1.9
173.09621	2.4
173.13219	17.7
174.13599	1.4
175.11174	3.1
175.14804	19.7
177.12874	2.0
177.16362	9.1
179.08459	1.9
181.10094	5.2
182.10786	1.5
183.08076	2.2
183.11690	9.1
185.09596	2.3
185.13232	14.1
186.13765	1.6
187.11169	2.8
187.14798	25.1
188.15179	1.2
189.12672	2.1
189.16322	7.4
191.14282	7.4
191.17982	3.0
193.10118	2.9
193.12216	1.4
193.15854	2.1
195.08028	2.5
195.11761	3.3
196.12367	1.3
197.09613	3.3
197.13216	5.7
199.11212	3.9
199.14784	11.5
201.12741	2.9
201.16344	9.5
203.14276	21.4
203.17915	2.5
205.15858	38.6
207.11777	1.3
207.17467	2.2
209.09660	2.3
209.13223	3.3
210.10448	1.5
211.11150	3.9
211.14790	4.2
213.12665	2.4
213.16417	6.4
215.14268	3.0
215.17920	4.8
217.15819	5.2
219.17390	2.4
221.13423	2.1
221.15314	8.7
223.11063	3.1
223.14862	1.7
223.16875	18.8
225.12784	2.6
225.16512	1.8
227.17941	2.9
229.10051	1.4
229.15979	2.0
231.17448	4.0
233.15446	1.5
237.12720	2.3
237.16330	1.6
239.14212	1.9
239.16310	2.5
241.19263	1.2
253.15762	1.7
253.19492	2.1
255.20998	2.2
257.19086	2.1
271.20499	2.1
295.93628	1.3
339.23175	2.9
349.21509	5.9
363.25287	2.7
367.22528	11.9
368.22327	1.2
385.23764	5.2
387.30307	2.3
393.31393	1.7
403.24603	1.3
405.31586	14.4
423.24707	1.4
423.27054	1.6
423.32611	18.2
424.32932	1.8
434.64758	1.4
441.26349	28.3
441.33548	63.2
442.26865	2.8
442.34030	4.7
459.27448	29.9
459.34564	100.0
460.27667	3.8
460.34879	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	459.3466
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
53.03933	3.8
55.01857	5.3
55.05508	20.0
55.63853	2.4
57.07068	3.8
59.86968	2.4
60.20864	2.3
65.44112	2.4
67.05497	21.6
69.03416	5.2
69.07067	10.3
70.83661	8.0
76.37134	2.4
79.05490	20.3
81.07040	40.7
83.04986	2.9
83.08600	10.4
85.06540	4.6
91.05470	26.8
93.07039	41.4
95.04956	6.2
95.08598	43.6
97.06523	7.5
97.10170	11.0
99.08085	100.0
103.05451	3.3
105.07019	43.1
107.08585	59.8
109.06525	9.1
109.10135	26.6
111.08035	4.4
117.07008	14.4
119.08578	60.1
120.08891	3.3
121.06477	5.9
121.10129	44.7
123.08063	6.0
123.11725	12.7
125.09643	15.0
127.07541	37.8
129.06990	6.7
131.08548	33.5
133.06549	3.7
133.10114	47.2
135.08003	9.9
135.11664	17.3
137.09634	6.7
137.13228	3.4
137.15109	2.6
143.08551	13.0
144.09358	3.7
145.06509	3.5
145.10104	33.2
147.08092	4.0
147.11690	25.6
149.09615	7.5
149.12169	2.9
149.13203	13.2
155.08511	4.4
157.10085	16.4
159.11690	28.7
161.09592	6.2
161.13261	20.5
162.04596	2.8
163.11205	3.5
163.14774	13.5
167.08606	3.1
169.10115	7.9
170.10857	3.2
171.11716	11.7
173.09546	3.4
173.13234	25.6
175.11140	3.9
175.14827	21.0
177.12750	3.3
177.16379	8.2
181.10028	3.2
183.11664	6.9
185.13263	19.7
187.14777	24.9
189.11183	5.9
189.12733	3.1
189.16417	10.9
191.14326	8.8
191.18011	5.9
197.13287	11.0
199.14801	14.1
201.12613	3.2
201.16414	21.2
203.14308	9.2
203.17970	5.0
205.15918	9.4
205.19357	2.8
207.17482	2.6
211.14786	7.3
213.16338	9.1
215.14311	12.0
215.17908	10.7
217.15936	6.8
219.17432	6.3
221.15363	3.8
223.14502	2.8
227.12625	3.6
227.17824	4.4
229.15971	4.8
229.19443	3.3
231.17383	4.4
235.17001	2.9
241.19492	3.9
267.21155	2.7
287.16006	2.8
351.26941	3.5
367.22583	6.9
387.28232	3.1
393.31436	8.7
395.33038	10.2
403.20523	3.0
405.31326	23.5
411.28253	2.3
411.32553	20.1
423.32526	54.2
424.32614	3.9
441.26379	11.5
441.33563	24.5
459.27423	17.3
459.34598	74.1
460.27307	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	459.3466
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
54.05078	0.7
55.05498	4.6
57.03408	0.8
57.07061	1.5
59.31448	0.8
67.05492	5.8
69.03432	1.1
69.07055	3.6
71.04415	1.9
71.04970	1.4
79.05482	4.9
81.07050	12.0
83.04977	1.7
83.08604	2.6
87.58597	0.7
91.05460	6.7
93.07030	10.1
95.04961	2.7
95.08597	17.2
97.06509	2.5
97.10152	1.7
99.08095	0.9
103.05459	0.8
105.07014	14.3
107.08584	14.8
109.06505	1.7
109.10146	12.3
111.08075	2.2
113.09660	1.0
117.06999	3.0
119.08565	15.8
121.06486	2.7
121.10136	13.9
123.08064	2.8
123.11702	3.7
125.09616	2.1
129.06996	1.5
131.08528	6.8
133.06470	0.9
133.10110	17.0
134.08337	0.8
135.08080	2.8
135.11664	6.2
137.09590	1.6
143.08549	3.4
144.09299	1.1
145.06531	1.2
145.10114	10.1
147.08035	2.6
147.11676	8.0
149.09592	3.0
149.13243	4.4
151.11154	2.1
155.08505	1.5
156.09328	0.9
157.10124	5.4
159.08012	1.1
159.11728	6.1
161.09564	4.1
161.13234	4.5
163.11134	1.8
163.14810	4.2
169.10101	1.1
171.11688	3.7
172.41481	0.8
173.09644	2.2
173.13225	5.2
175.11180	2.6
175.14813	7.4
177.12791	1.6
177.16338	4.6
183.11705	3.1
185.13263	2.9
187.11221	1.4
187.14798	9.8
189.12750	2.4
189.16365	5.8
191.14291	2.1
195.11681	0.9
197.13338	2.2
199.14807	3.3
201.12669	1.2
201.16353	4.1
203.14320	1.6
203.17969	1.7
205.15889	3.3
207.11691	1.0
207.17480	0.8
209.13319	1.6
211.14929	1.7
213.16389	2.8
215.14221	5.0
215.18005	1.4
217.15813	3.6
219.17453	1.2
225.16382	1.5
227.17984	2.3
229.15730	1.4
229.19359	1.1
231.17422	4.1
233.15427	1.9
239.18019	1.2
241.19499	1.4
243.17351	1.3
251.16286	1.5
257.18912	1.2
269.18823	1.2
271.20602	2.5
279.21115	1.4
280.42157	0.8
281.22595	1.2
283.24231	1.1
285.21948	1.2
295.20660	1.1
297.22256	1.1
301.21851	1.0
309.22025	1.2
311.23740	1.6
323.23639	1.0
377.31851	1.3
379.29684	1.0
387.30243	1.5
405.31473	7.9
407.33038	4.9
411.32352	7.3
415.07095	0.9
423.32565	14.2
441.33603	28.2
442.34000	1.5
459.34659	100.0
460.34882	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	459.3826
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
55.05500	5.1
57.07064	3.4
61.08865	2.3
67.05480	10.0
69.07050	7.1
69.41875	19.9
70.35971	2.0
72.03426	1.9
79.05477	8.1
80.59631	2.1
81.07044	15.2
83.08576	4.5
91.05447	7.8
93.07035	27.0
95.04956	2.3
95.08038	2.9
95.08597	34.6
97.06506	4.7
97.10110	2.6
99.08072	7.8
100.04947	1.9
105.06985	11.1
106.54790	2.2
107.08588	33.4
109.10139	14.5
111.08073	6.1
111.11690	4.6
111.66745	2.1
119.08582	17.2
120.91361	1.9
121.10126	29.2
123.11693	12.6
125.09602	5.1
131.08517	5.7
133.10088	18.9
135.11699	13.9
137.13266	3.5
145.10133	11.6
147.11673	11.2
149.13281	15.2
157.10114	4.9
159.11652	13.4
161.13214	6.0
163.14864	4.1
167.14275	8.7
171.11699	2.7
173.13226	5.8
175.14767	5.1
177.16394	8.7
185.13202	5.6
187.14810	11.2
191.17917	6.0
201.16360	20.5
203.17888	21.7
213.16322	3.5
215.17921	6.8
227.17865	4.8
229.19440	2.9
233.18988	3.8
241.19409	3.4
251.20041	19.5
279.23123	3.4
283.24176	10.0
350.00653	2.4
423.36157	100.0
441.37555	23.2
453.67004	2.2
459.30743	7.6
459.37811	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	460.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01864	8.4
55.05490	1.9
57.03431	4.8
60.04500	0.9
61.02922	5.1
65.03919	1.0
67.05479	2.2
68.99767	2.5
69.03418	27.0
69.07047	1.2
71.04984	4.2
71.63116	0.7
73.02907	6.2
79.05484	1.8
81.03402	27.1
81.07031	2.7
83.01340	0.7
83.04954	1.3
84.04460	0.7
85.02889	72.1
86.03210	0.8
87.00288	1.3
87.00814	26.1
87.04457	1.8
91.03926	2.6
91.05482	4.9
93.07023	2.5
94.13147	0.6
95.04963	1.4
95.08577	3.3
97.02877	28.4
97.03505	1.5
98.06042	1.4
99.04439	13.9
99.08080	1.2
101.02340	0.7
103.03908	2.3
103.05446	5.5
104.08913	0.6
105.01849	28.5
105.07007	5.4
107.04935	6.3
107.08572	2.8
108.04466	9.3
108.08916	0.9
109.02861	29.6
109.10120	2.1
111.04427	0.7
115.03894	1.5
115.05398	0.8
117.01850	3.4
117.03796	0.6
117.07006	2.4
119.04946	0.8
119.08561	21.5
120.04449	9.7
120.08903	1.3
121.06478	1.2
121.10167	1.5
123.02863	0.7
123.07989	0.8
123.11705	1.1
126.05502	4.0
127.03896	55.4
128.04196	0.8
129.01831	3.2
131.04906	1.5
131.08499	1.2
133.06451	1.3
133.10101	1.6
134.10463	1.1
135.08011	6.7
135.11636	0.7
137.05940	0.8
137.09639	0.9
138.05449	0.7
139.03880	3.1
145.04936	25.6
145.10158	1.5
147.02858	1.9
147.04295	0.9
147.11722	0.7
149.13275	0.8
154.06226	29.2
159.02872	18.3
159.11606	0.7
161.13235	0.9
163.06075	3.0
163.07509	26.2
165.09071	8.4
166.09477	3.3
167.06992	1.8
171.11705	1.0
173.13280	0.8
175.14767	1.4
177.03900	1.6
179.03314	0.9
180.07764	1.1
187.14774	0.8
189.03944	1.1
192.18352	1.0
193.08453	0.7
194.11783	1.5
195.10138	100.0
196.10411	1.4
200.12798	1.5
203.14261	0.9
203.17941	2.1
204.14508	0.6
204.18254	1.3
205.08577	0.8
207.10130	1.1
207.13768	1.1
212.05615	0.8
213.03873	3.9
219.10170	0.8
219.17300	0.7
230.06497	3.5
231.04930	11.1
237.14516	0.6
248.07635	6.8
249.06078	1.0
266.08679	2.5
285.11172	1.0
298.20178	1.3
303.12079	0.9
439.14203	0.7
460.27768	1.2
463.94180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31578	0.7
53.03937	6.5
55.01645	0.8
55.01862	7.5
55.05497	2.3
57.03423	4.9
60.04515	0.8
61.02922	3.9
67.05481	3.0
68.99760	2.3
69.03417	25.8
69.07053	1.3
70.06572	1.7
71.04984	4.9
71.62042	0.9
73.02913	5.8
79.05483	5.5
80.05006	1.0
80.05822	0.9
81.03407	27.1
81.07055	4.5
83.04957	1.7
85.02893	65.1
87.00819	24.8
87.04454	1.7
91.03931	2.3
91.05471	5.2
93.07021	4.2
95.04939	3.1
95.08591	3.4
96.07243	0.7
97.02877	26.0
97.06509	1.7
98.06062	1.3
99.04445	11.9
99.08068	1.3
101.02346	0.9
103.03905	1.1
103.05464	2.0
105.01852	21.4
105.02557	1.1
105.07002	6.2
107.04937	27.8
107.08576	3.5
108.04475	7.8
108.05188	1.3
108.08887	1.1
109.02866	25.0
109.06506	1.6
109.10133	2.6
115.03899	1.6
115.05417	1.8
117.01842	2.6
117.07010	1.8
119.08549	3.2
120.08855	1.1
121.06487	1.1
121.10107	2.7
125.05974	0.9
126.05488	2.3
127.03895	45.0
129.01814	3.3
129.06973	0.9
131.08548	2.5
132.08885	0.9
133.10101	3.2
134.10452	1.0
135.08028	10.3
137.05945	1.0
143.08510	1.3
145.04939	23.0
145.10136	1.8
147.02875	2.2
147.11630	2.1
148.12138	0.8
149.08427	0.8
149.09566	1.7
157.10085	1.2
159.02885	16.0
159.08006	1.3
159.11639	1.2
161.09595	2.1
161.13297	1.4
163.07520	36.0
165.09056	2.8
166.09448	1.7
167.07016	13.8
171.11676	1.6
173.13239	0.9
175.07539	0.9
175.14806	0.7
180.07774	2.8
185.13268	0.9
187.07533	2.4
187.14748	1.0
189.03923	2.8
193.08591	1.1
195.10141	100.0
195.93033	0.8
196.10468	1.8
204.52565	0.8
205.08566	1.8
207.10156	2.9
213.03880	3.0
219.10036	1.1
230.06584	2.2
231.04987	9.6
237.11017	1.1
248.07620	5.9
266.08722	0.9
281.17508	4.9
285.11191	1.6
303.12253	2.6
321.13156	1.6
368.22723	1.0
386.24167	0.9
460.27518	4.9
460.34830	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01847	2.7
55.05509	1.7
56.05038	1.0
56.96548	1.8
57.03435	5.2
57.07064	12.7
61.02922	6.6
63.04479	11.1
67.05499	1.5
69.03418	16.7
69.07074	1.0
69.64642	7.9
70.06586	2.7
71.04984	3.2
72.08144	3.2
73.02907	2.9
74.06080	2.2
79.05481	1.0
81.03407	8.3
81.07062	1.4
84.04494	1.7
84.08127	1.3
85.02892	95.6
86.06070	1.2
86.09688	5.9
87.04456	1.6
91.03935	5.4
91.05461	2.4
93.07060	1.3
95.08590	1.3
97.02881	24.8
98.97567	1.3
99.04441	4.1
101.09649	1.3
103.03994	1.3
105.07020	1.6
107.08547	1.0
109.02879	7.7
116.98586	2.0
119.04961	2.3
119.10678	100.0
120.11086	1.0
123.04407	2.6
127.03895	31.8
127.04784	1.8
134.04614	2.7
135.04277	1.1
137.05910	1.2
139.03902	1.9
145.04942	45.5
147.04420	13.3
151.03885	1.3
152.07069	1.6
163.03934	2.0
163.06003	17.9
165.02280	1.7
166.02516	1.6
176.59711	1.0
182.04938	21.9
183.05287	10.1
184.04518	3.4
201.00722	0.9
201.12016	1.0
204.08626	1.2
208.02844	20.7
209.03140	15.5
210.02469	3.5
279.09866	2.3
281.15958	3.5
289.09146	1.2
298.06934	1.1
325.11136	2.5
327.08649	6.8
328.08902	20.0
329.08475	2.7
340.73389	1.0
359.09973	1.2
460.14774	8.2
460.27655	1.2
461.14590	1.5
461.20389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01855	1.6
55.05503	7.5
57.03437	4.5
61.02912	1.8
65.03928	1.4
67.05497	20.6
69.03429	1.8
69.07050	5.2
70.32343	3.1
71.04977	1.5
73.06527	1.1
79.05486	28.8
81.03404	4.5
81.07052	19.2
82.07402	1.3
83.04972	7.5
83.08616	3.9
85.02888	2.0
85.06548	1.4
91.04897	0.8
91.05043	0.5
91.05467	21.1
93.07033	25.2
95.04964	9.7
95.08591	12.4
97.02912	1.8
97.06503	2.2
97.10140	2.5
98.97563	1.5
103.05444	1.1
104.06177	0.9
105.07027	15.6
107.04922	3.1
107.08587	9.9
109.02843	1.1
109.06501	3.3
109.10150	2.5
111.08103	0.9
115.05447	0.8
117.07001	2.6
119.08560	10.8
121.06530	2.1
121.10140	2.8
123.08052	2.6
127.07521	1.3
128.06165	0.9
129.07001	6.7
130.07787	1.1
131.08542	2.7
133.10124	5.9
135.08011	1.0
135.11691	1.7
143.08566	3.6
145.10104	4.0
147.08060	1.9
147.11679	14.2
151.07541	0.9
155.08624	1.1
159.11719	1.6
161.09621	1.6
161.13295	4.5
162.32076	0.8
165.09081	1.9
171.11681	9.5
173.13255	0.9
177.00606	1.0
189.12740	3.4
207.13776	7.1
234.42413	1.0
281.17447	100.0
282.17807	2.4
287.55914	0.9
440.18765	3.3
440.68884	2.3
460.69748	1.7
461.28470	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	461.2891
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03939	7.7
55.01854	5.2
55.05504	27.8
57.03436	7.6
57.07062	1.4
59.84392	1.3
65.03922	4.4
66.60744	1.4
67.05497	65.3
69.03423	2.0
69.07058	18.0
69.27519	1.6
71.01362	2.2
71.04974	6.1
71.50359	2.7
71.50700	1.8
72.40626	1.7
75.83364	1.4
79.05482	63.0
81.03399	11.7
81.07050	51.4
83.04972	11.8
83.08602	14.7
85.06537	4.6
91.05470	60.4
93.06452	3.4
93.07037	55.0
95.04967	23.0
95.08593	30.7
97.06532	9.7
97.10167	9.8
99.08112	2.5
103.05484	1.8
105.07021	43.5
107.04947	10.0
107.08579	26.5
109.06513	6.3
109.10153	11.7
111.08047	3.3
113.09624	2.4
115.05450	3.9
117.07006	22.1
119.05048	1.4
119.08575	26.6
121.06501	5.9
121.10127	10.3
123.08086	3.8
123.11726	2.1
125.09611	5.1
127.07554	1.6
128.06204	5.9
129.06992	24.4
130.07797	2.0
131.08553	25.9
133.06474	5.6
133.10120	15.3
133.67786	1.4
135.08047	3.5
135.11678	19.9
137.09630	2.3
141.06964	7.2
142.07742	3.8
143.08551	21.0
145.06468	6.2
145.10118	19.0
147.08025	6.0
147.11673	16.7
149.09604	3.2
149.13254	4.3
151.11182	2.0
153.06969	1.5
155.08563	15.2
157.06480	2.5
157.10135	10.6
159.08057	4.4
159.11665	9.4
161.09636	3.2
161.13219	6.1
163.11183	4.5
167.08571	5.3
169.10107	8.3
171.08113	2.3
171.11668	17.3
173.09680	3.0
173.13297	3.2
175.11154	4.2
177.12843	2.0
179.08647	2.8
181.10080	6.6
183.11641	8.9
185.09734	2.3
185.13232	5.1
187.14931	2.4
189.11255	1.7
189.12798	3.8
193.12209	4.0
195.11699	6.2
195.13849	1.4
197.09680	1.8
197.13329	3.1
199.14847	4.7
207.11984	2.8
207.13766	13.6
209.13231	1.9
211.13049	1.9
211.14830	4.8
213.37338	1.7
215.14323	3.3
217.15836	3.8
219.13858	1.8
220.76164	1.6
221.13243	3.8
223.14810	3.7
224.89035	1.6
225.12711	2.8
225.14742	3.4
229.15921	2.0
233.15268	1.9
235.14893	2.8
239.14348	3.0
243.17503	2.0
253.16101	2.0
257.15372	3.8
259.16971	2.1
271.16763	2.6
287.89273	1.6
305.22552	2.3
323.23627	3.3
333.22189	7.9
341.24680	5.5
343.95282	1.5
351.23129	22.5
369.24173	20.3
383.04337	1.7
387.25293	13.3
425.26917	3.1
443.27930	41.6
444.28308	2.4
461.28918	100.0
462.29333	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	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61251	0.7
53.03939	3.6
55.01860	4.6
55.05501	19.6
57.03432	5.3
57.07066	1.8
59.04995	1.1
59.19829	0.7
64.58755	0.7
65.03915	2.2
67.05495	42.2
68.71020	0.7
69.03415	2.2
69.06716	1.2
69.07059	15.3
71.04971	2.3
71.62627	1.3
77.72684	0.7
79.05480	36.6
80.58106	0.7
81.03410	30.9
81.07044	44.3
83.04964	7.8
83.08609	13.9
85.02892	1.0
85.06537	2.6
91.05466	35.9
93.07032	36.3
94.07388	0.8
95.04955	23.1
95.08588	17.2
97.02885	0.8
97.06528	5.6
97.10149	6.5
99.08093	1.5
102.17130	0.6
103.05433	1.4
105.07013	27.3
106.07328	0.9
107.04945	8.2
107.08581	20.6
109.06503	4.7
109.10138	6.3
109.78781	0.8
111.08049	4.9
112.99965	0.8
115.05433	2.3
116.06232	0.9
117.06999	11.2
119.04913	2.2
119.08562	18.2
121.06486	7.9
121.10141	12.1
123.04422	0.9
123.08059	2.6
123.11668	1.6
125.09628	4.9
128.06213	3.2
129.06978	14.3
130.86378	0.7
131.04875	1.5
131.08553	18.9
133.06468	6.1
133.10112	11.8
135.08035	3.5
135.11685	6.2
137.09534	1.6
139.07544	0.7
141.06947	4.1
142.07771	1.7
143.08527	7.4
145.06447	7.8
145.10104	7.5
147.08026	5.6
147.11682	6.2
149.09579	3.0
149.13251	12.1
151.03874	0.8
151.11073	1.1
153.09105	1.2
155.08511	5.6
157.06540	1.0
157.10120	9.1
159.08006	4.1
159.11678	7.3
161.09625	2.6
161.13274	1.2
163.11148	2.9
165.12737	1.6
167.08556	1.7
169.10069	3.8
171.08023	2.1
171.11678	4.2
173.09602	1.4
173.13249	2.2
175.11160	6.5
175.14731	0.9
177.12762	4.1
179.08638	0.9
181.10132	2.5
183.08063	1.1
183.11693	2.4
185.09628	1.7
185.13219	2.2
187.11087	1.1
187.14871	1.3
189.11186	3.6
189.12697	1.6
191.14400	0.9
193.10318	1.2
193.12207	11.6
195.11674	2.0
195.13762	3.6
197.09583	1.2
197.13202	2.1
199.11021	0.9
199.14809	3.0
201.12683	1.5
203.14284	1.0
205.12221	1.4
207.11691	0.9
209.13203	1.7
211.11185	1.1
211.14908	1.1
213.12718	1.0
213.14714	1.0
215.14319	1.1
217.12099	0.9
217.15921	3.6
221.13338	1.6
225.12750	1.6
225.16475	0.9
227.12621	0.9
231.13791	2.0
233.15471	1.0
235.14774	1.0
239.14240	1.1
243.13777	1.0
249.14812	2.1
257.15372	1.5
259.17102	1.0
261.14902	0.9
267.15897	1.7
271.16986	1.3
275.16400	1.4
323.23618	2.2
333.22244	1.1
341.24756	2.8
343.22638	2.3
351.23145	9.2
361.94885	0.8
369.24200	14.2
387.25262	10.1
405.26187	2.2
407.25891	1.0
407.59344	0.8
417.26132	3.7
425.26813	1.1
443.27805	23.9
444.28192	1.3
461.28915	100.0
461.77945	1.2
462.29395	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03933	2.7
55.01869	4.9
55.05257	1.3
55.05507	18.7
55.70732	0.9
57.03440	5.0
57.07062	1.2
65.03925	2.2
67.05498	42.2
68.05824	1.0
69.03413	2.6
69.07062	13.8
69.70267	0.8
70.35938	3.1
71.04972	2.7
73.45039	0.9
75.26010	0.8
76.01039	0.9
79.05483	35.8
80.63519	0.9
81.03411	21.9
81.07048	37.9
83.04975	6.9
83.08605	11.2
85.06528	2.4
91.05470	31.9
93.07032	32.1
94.42286	1.0
95.04958	21.9
95.08594	18.5
97.02896	0.9
97.06516	3.4
97.10157	8.7
99.08087	1.7
103.05454	1.9
105.04491	1.8
105.07019	25.1
107.04947	9.8
107.08586	18.1
109.06516	4.4
109.10130	6.5
111.04418	0.9
111.08072	3.4
115.05466	2.0
117.07012	12.4
119.04943	1.7
119.08572	15.7
121.06494	8.8
121.10124	11.2
123.08070	3.9
125.09624	7.1
128.06209	2.3
129.06979	12.1
131.04897	2.0
131.08560	19.7
131.62769	0.9
133.06461	6.1
133.10115	12.4
135.08037	3.7
135.11642	4.5
137.06017	0.9
137.09625	1.3
141.06981	3.9
142.07722	1.9
143.08553	6.7
145.06468	10.1
145.10081	7.9
147.08037	5.6
147.11684	4.0
149.09605	3.9
149.13261	8.6
153.09171	1.4
155.08551	5.5
157.06456	2.4
157.10095	8.4
159.08060	3.3
159.11655	7.0
161.09543	2.0
161.13289	1.5
163.11150	3.7
165.12839	1.6
167.08548	2.4
169.10143	3.4
171.08012	2.4
171.11694	3.3
173.09622	1.8
173.11836	0.9
173.13269	2.3
175.11180	3.6
177.12732	5.4
179.08633	1.0
181.10100	2.5
183.11734	2.2
185.09622	1.5
185.13234	2.4
187.11105	1.0
187.14793	1.6
189.09290	1.2
189.11221	3.7
189.12770	1.5
193.12221	9.9
195.11763	1.9
195.13803	2.5
197.13231	2.1
199.14812	3.4
201.12743	1.8
203.14235	1.7
205.12389	1.1
207.11729	1.4
211.14943	2.0
213.12842	1.4
213.14844	1.2
215.14262	1.3
217.15776	5.8
219.13873	1.1
227.12668	2.0
229.15945	0.9
231.13773	1.5
239.14284	1.2
243.13812	1.3
244.03084	0.9
248.78773	1.0
249.14891	3.0
251.16310	1.0
253.15921	1.3
257.15344	2.6
261.15042	1.0
267.15854	1.3
271.17114	1.1
275.12842	1.0
275.16452	1.6
291.08817	1.7
323.23663	1.3
333.22104	2.0
341.24927	1.1
343.22635	2.1
351.23260	9.7
369.24191	20.0
387.25223	10.3
391.96725	0.9
405.26303	1.4
417.26334	3.3
425.26700	2.8
439.27042	0.9
443.27856	26.8
444.28949	0.9
461.28934	100.0
462.29160	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01854	3.8
55.05262	1.5
55.05505	21.6
57.03433	7.8
59.04994	1.1
63.72274	1.1
65.03924	4.0
67.05495	64.8
68.05812	1.1
69.03413	3.6
69.07056	17.6
69.99358	1.0
69.99697	7.4
70.78905	1.1
71.01328	2.5
71.04965	3.4
73.06551	1.3
79.05483	70.5
81.03410	14.3
81.07047	48.9
83.04974	14.7
83.08602	7.8
85.06539	4.2
91.05468	48.2
93.07034	63.5
95.04957	24.3
95.08601	23.6
97.06527	8.8
97.10151	10.0
98.20802	1.5
98.21358	2.5
99.08086	1.6
105.04481	1.5
105.07016	35.6
107.04945	7.4
107.08572	32.6
109.06506	4.5
109.10131	9.7
111.08076	3.4
115.05499	2.0
117.07014	10.3
119.08569	22.1
121.06490	4.9
121.10117	12.6
123.08049	4.8
125.09613	2.5
127.07550	1.2
128.06210	1.8
129.06976	13.7
130.67339	1.1
131.08551	7.1
133.06477	2.6
133.10101	11.3
134.03819	1.3
135.08038	1.8
135.11681	30.8
137.09575	1.7
139.69437	1.2
143.08543	7.6
145.06400	2.0
145.10106	17.0
147.08043	3.2
147.10489	1.6
147.11668	27.1
149.09624	1.5
149.13269	5.6
153.12726	1.2
156.55441	1.2
157.10141	2.8
159.11673	3.2
161.09639	4.2
161.13223	10.0
163.11166	5.9
163.14867	1.3
167.05606	1.1
169.10089	2.5
171.11673	19.0
173.13397	1.3
177.12737	2.1
179.14418	1.5
181.12257	5.0
187.14761	2.1
189.11189	2.3
189.12741	10.5
193.12268	2.7
203.17813	1.1
205.15871	1.4
207.13765	24.8
211.14886	1.5
217.15950	1.5
223.16962	2.2
225.14856	4.4
249.39127	1.2
255.15848	2.5
266.96667	1.1
281.17462	2.8
314.12949	1.4
334.31082	2.2
351.23312	1.7
369.24225	2.9
387.25327	2.7
443.27823	5.5
443.35541	5.2
461.28952	100.0
461.36942	11.9
462.29181	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01861	4.2
55.05500	13.5
57.03431	3.9
57.07057	3.0
57.23320	2.3
57.25903	2.2
61.02936	2.3
62.10784	2.1
65.03949	2.6
67.05499	40.8
69.03425	5.3
69.07070	17.3
70.00400	4.6
70.00803	9.4
71.04958	2.9
77.55109	1.7
78.19556	1.7
79.05476	27.1
81.03402	13.5
81.07054	45.5
83.04966	5.8
83.08614	10.3
85.06538	4.2
89.64777	2.2
91.05473	34.4
93.07035	44.1
94.07366	2.2
95.04961	17.0
95.08601	38.6
97.06536	5.0
97.10161	7.7
99.08086	7.6
105.06363	3.7
105.07025	36.1
107.04950	6.2
107.08585	48.8
107.99926	1.9
108.08909	4.9
109.06510	8.2
109.10160	21.6
111.04422	2.5
111.08061	4.5
117.07043	10.6
119.04890	3.8
119.08570	100.0
120.08907	35.5
121.06521	14.3
121.10133	27.2
123.08092	6.7
123.11697	6.7
125.09659	2.9
128.27678	2.4
129.07008	7.1
131.08546	25.0
133.06555	4.8
133.10121	36.8
135.08052	24.2
135.11691	18.6
136.08366	6.2
137.09624	3.8
139.11186	2.5
142.07748	2.7
143.08533	11.9
145.06487	3.4
145.10117	26.0
147.04376	7.3
147.08025	7.8
147.11671	20.1
149.09581	7.7
149.13248	16.2
155.08586	4.9
157.10161	10.7
159.11658	19.3
161.09605	7.2
161.13312	11.4
163.11183	7.8
163.14850	6.0
165.12677	2.5
165.16359	2.1
169.10123	2.7
171.11720	6.3
173.09486	2.0
173.13223	12.7
175.11069	4.0
175.14850	11.7
177.16393	6.0
181.12173	3.2
185.13226	6.8
187.14771	18.2
189.11143	2.5
189.12766	5.1
189.16258	4.5
191.14325	5.8
193.12198	5.8
195.11699	3.3
199.14798	7.5
201.12746	3.4
201.16368	7.4
203.14287	8.7
203.17902	14.0
205.15845	5.2
213.16408	4.6
215.14462	3.7
215.17944	4.2
217.15938	2.8
221.15286	3.7
221.18945	2.4
227.17960	2.3
229.15944	3.9
233.15346	3.4
239.16356	4.6
351.23114	3.9
369.24255	8.2
377.31961	3.3
387.25189	5.7
395.32996	9.0
407.32916	7.4
413.34134	9.5
415.20483	2.6
416.21564	7.1
425.34103	11.9
443.28955	13.2
443.35083	12.6
461.28964	54.5
461.35669	7.8
462.29263	6.9
468.64505	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.2
59.77121	0.1
60.04512	0.1
61.02924	0.4
65.03934	0.6
69.03430	0.8
69.89991	0.6
69.90405	0.3
70.06577	0.2
71.04955	0.2
81.03418	0.2
85.02904	1.8
86.09678	0.2
91.03957	0.2
91.05471	5.8
95.04966	0.2
97.02908	0.7
109.02887	0.2
119.04935	16.2
120.05270	0.2
123.04439	0.2
127.03902	0.5
139.03880	0.2
145.04945	0.5
147.04399	100.0
148.04745	1.0
154.17268	0.2
163.02435	0.2
163.03857	0.2
177.05389	0.2
177.09018	0.2
192.87474	0.2
230.60652	0.2
283.08081	0.5
309.09677	0.3
377.16821	0.1
401.14682	0.2
442.07755	0.1
444.21838	0.2
463.14996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05495	1.6
56.66788	0.8
57.03437	1.4
67.05492	3.1
69.03423	6.3
69.07076	1.1
69.94938	5.2
70.06596	2.5
70.45322	0.8
71.04992	1.2
72.08139	1.4
77.03963	1.1
79.05485	3.0
81.03401	1.7
81.07025	1.9
83.04990	2.3
84.04488	1.2
84.08114	1.1
84.41788	0.8
85.02892	9.2
86.06090	0.8
88.47440	1.1
91.05404	4.7
93.07030	6.0
93.20173	1.0
95.04956	7.8
95.08601	2.0
97.02902	2.5
97.06535	1.3
98.20833	1.1
99.04441	1.1
103.05469	1.5
105.07020	9.9
107.08581	3.6
109.02879	1.1
109.06488	4.5
109.10138	1.4
111.04420	6.1
111.08115	0.8
113.05987	2.7
117.07008	1.4
119.04938	6.0
119.08548	9.3
121.02905	1.6
121.06490	7.7
121.10057	2.0
123.04420	4.0
123.08060	6.1
127.03915	2.4
131.04898	1.6
131.08559	4.8
133.06490	2.9
133.10133	3.2
135.08047	10.1
137.06003	1.8
137.09599	3.8
139.03899	4.4
141.06947	1.3
142.07823	1.7
143.08553	3.0
145.05132	1.1
145.06415	1.7
145.10092	6.0
147.04391	31.4
147.08032	5.1
147.11700	2.4
149.09598	2.3
151.07570	1.3
155.08580	1.3
156.09251	2.5
157.10112	4.0
158.06091	1.2
158.07294	2.9
159.08057	6.7
159.11644	6.4
161.09599	7.4
163.03873	3.0
165.09074	3.9
169.10095	1.4
171.08096	1.8
171.11690	2.0
172.08836	3.9
173.09613	4.4
173.13255	3.5
175.07510	11.3
175.11136	6.2
183.11679	2.5
185.09561	1.2
187.11118	7.6
189.09094	2.9
189.12773	2.1
193.08539	1.8
193.10127	1.2
199.11174	4.4
201.12727	8.0
203.10632	6.3
205.12305	1.2
207.10106	0.9
211.11278	4.4
217.12186	4.8
219.13795	2.1
221.11737	1.3
223.07549	3.6
229.12228	5.9
235.13295	1.8
247.13290	26.2
265.14319	100.0
266.14600	1.2
282.12396	1.0
287.05576	1.4
426.16901	1.0
462.13663	1.6
467.71628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1229
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.6
55.05491	0.4
57.03425	4.2
58.91101	0.3
70.02433	1.6
70.96619	0.3
71.04984	30.5
72.21920	0.3
73.02891	0.5
75.04465	0.8
76.80671	0.3
83.04955	0.7
85.02893	28.1
87.04446	0.7
90.82790	0.3
92.02630	0.7
93.03378	0.8
111.04408	0.7
121.02883	0.7
129.05461	6.3
137.05923	0.4
139.03850	0.7
147.06496	1.1
151.03883	0.8
153.01804	6.4
153.02975	0.5
165.01837	0.8
173.81097	0.4
177.05453	0.4
182.06828	0.3
185.69958	0.3
200.04994	0.3
201.05444	0.6
217.05011	0.6
218.05875	0.3
228.04164	1.4
229.05000	2.3
245.04376	0.8
246.05208	1.4
257.04416	2.4
260.03101	0.6
261.07419	0.5
273.03918	1.1
274.04657	4.0
285.03909	4.1
289.80194	0.3
302.04163	11.1
303.04498	0.4
317.06519	100.0
318.06915	2.9
389.49185	0.4
475.79144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05491	0.6
57.03424	0.4
62.07577	0.2
65.03933	0.2
67.05222	0.2
67.05499	1.9
69.03403	0.3
69.07049	0.8
69.48737	1.6
71.05003	0.2
73.20325	0.1
79.05489	1.3
81.03409	1.1
81.07043	2.3
83.04971	0.4
83.08607	0.3
85.02899	0.4
85.06518	0.2
91.05456	1.1
93.07029	1.3
95.04935	0.7
95.08582	1.0
97.02882	0.2
97.06495	0.4
97.10152	0.5
105.07011	1.5
107.04955	0.5
107.08577	1.2
109.06499	0.7
109.10139	0.7
111.04438	0.3
117.07039	0.5
119.08584	1.0
119.35560	0.2
121.06472	0.3
121.10104	0.8
123.08042	0.2
129.06932	0.2
131.08551	0.7
133.10112	1.3
135.08047	0.2
135.11673	0.5
137.05942	0.3
139.03903	0.3
143.08527	0.3
145.10110	0.8
147.04314	0.2
147.08020	0.4
147.11693	0.4
149.09572	0.3
151.07478	0.2
151.11171	0.3
155.08635	0.2
157.10086	0.5
159.04228	0.2
159.11644	0.3
161.09517	0.3
161.13155	0.2
163.11208	0.3
165.05531	0.3
165.09081	0.3
171.11655	0.3
175.11122	0.3
181.12375	0.2
183.11607	0.2
184.09970	0.2
189.11176	0.2
191.10686	0.3
193.12256	0.4
198.07835	0.4
199.08589	0.2
207.13680	0.2
209.11603	0.2
211.08792	0.3
212.09413	5.7
219.13814	0.5
227.08353	1.0
227.11745	7.8
239.08160	0.4
240.08977	1.2
242.10464	0.2
253.14299	0.5
255.11246	3.8
269.44186	0.2
270.09949	0.5
273.12411	1.4
283.10687	3.4
283.13535	0.3
291.19571	0.8
301.11789	100.0
302.12094	1.5
365.23206	0.4
445.25327	0.3
449.29590	0.2
463.17096	0.2
463.26688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.4
55.01837	0.7
55.05454	1.8
55.76112	0.3
56.96558	18.7
56.96815	1.1
57.03406	0.8
57.07034	0.5
59.55902	0.4
67.05494	7.7
69.07050	2.7
69.24649	0.3
69.57345	2.4
69.57761	0.8
71.04923	1.1
71.95244	1.8
72.95994	1.1
79.05484	4.3
81.03362	0.4
81.07042	10.3
83.04905	1.3
83.08607	1.8
85.06476	0.7
91.05473	3.5
92.98579	0.6
93.07034	6.4
95.04916	1.3
95.08597	2.7
97.06464	1.5
97.96818	0.5
98.21554	0.7
105.06995	2.1
107.07986	0.4
107.08578	4.6
109.06456	0.8
109.10101	0.7
111.08034	1.1
116.81241	0.3
117.06934	1.3
119.08496	1.3
121.10102	2.3
123.01112	0.7
123.11690	0.6
127.00684	0.4
129.06915	0.7
129.62225	0.4
131.08487	1.4
133.01657	0.7
133.10106	2.0
135.08011	0.5
135.11607	1.6
137.02710	0.5
139.11160	0.4
143.08611	0.5
145.10042	0.8
146.09138	0.4
147.11612	0.7
149.12390	0.3
149.13252	3.2
155.03748	1.4
157.10091	0.6
159.03246	0.8
159.11612	1.5
161.04903	0.5
169.05275	0.5
171.03194	0.5
173.04825	0.7
177.12666	1.1
183.06805	0.5
185.04805	0.8
187.06328	1.1
195.06865	1.5
195.13754	2.4
199.06395	1.8
199.29750	0.5
201.56813	0.4
203.05853	0.9
205.07411	0.6
207.06888	0.9
213.07944	18.8
213.14732	0.5
217.07411	3.2
221.08493	0.5
223.10046	1.2
225.07944	5.9
225.11514	0.7
229.27202	0.4
231.09010	35.8
236.09532	1.9
239.09518	4.3
241.11049	0.9
243.09048	4.8
243.12625	0.5
249.10130	0.6
251.09445	12.9
254.10638	2.0
255.15884	0.4
257.10544	4.6
266.10559	0.5
269.10562	100.0
270.10846	1.2
287.11615	93.9
288.11945	0.9
289.12021	0.4
292.12146	19.9
293.12393	0.7
310.13199	8.3
317.16510	0.4
333.14847	1.3
371.25281	0.6
379.85324	0.4
394.82419	0.4
445.29202	1.4
463.23694	79.3
463.30316	9.9
464.23856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.54882	0.8
53.03957	4.3
55.01861	3.1
55.05252	1.3
55.05503	17.4
57.03430	4.5
57.07069	2.2
59.09127	0.8
62.14539	0.9
62.94849	0.8
65.03930	3.8
67.05497	75.7
68.37867	0.8
69.03404	1.1
69.07059	25.1
71.01332	1.1
71.04993	6.2
71.23511	0.7
79.05485	52.7
79.32964	0.9
81.03399	6.1
81.07048	100.0
83.04974	8.3
83.08613	18.8
85.06547	4.4
91.04881	1.2
91.05471	31.7
93.07034	71.5
94.07342	1.0
95.04964	12.7
95.08600	25.1
97.06526	10.9
97.10143	1.3
99.04440	1.4
99.08086	3.6
103.81481	0.9
105.04511	1.2
105.07021	14.2
107.04898	1.2
107.08585	38.3
107.37398	0.8
107.69684	0.9
109.06525	3.0
109.10148	7.8
111.08076	8.1
113.06049	1.3
113.09621	1.1
117.06995	11.6
119.08563	7.7
121.06494	2.5
121.10139	19.9
123.08147	1.1
123.11674	4.8
129.06981	1.9
131.08559	15.0
133.10121	16.1
135.08095	2.3
135.11679	12.3
139.11217	1.2
143.08604	1.3
145.10146	3.7
147.08105	1.1
147.11691	2.4
149.01276	1.0
149.13239	39.5
151.11198	3.1
153.09138	1.4
157.10150	2.1
159.11673	16.0
163.11127	1.2
167.14326	1.4
171.11697	1.8
173.13292	1.0
173.91037	0.9
177.12752	8.5
195.13791	25.9
213.14874	3.2
227.12830	2.2
233.15514	1.2
251.16432	1.4
324.61652	0.9
343.26593	1.2
353.24915	2.2
371.25824	1.9
389.27014	2.2
403.92038	0.9
445.29364	7.7
463.30618	97.2
464.31073	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	463.3049
Annotation	Tupichigenin A
Peak:m/z	Relative Intensity
53.03928	6.5
55.01862	6.0
55.05497	29.0
56.30992	2.3
56.40564	2.3
57.03423	9.6
57.07050	4.0
59.04965	2.6
65.03916	5.5
67.05496	84.6
69.03422	2.8
69.07055	30.4
71.04978	7.6
71.62932	4.1
77.75096	1.9
79.05478	62.2
81.03403	5.5
81.06567	5.4
81.07045	93.1
81.09830	2.7
83.04973	9.7
83.08605	17.5
85.02881	2.8
85.06533	6.3
91.05471	64.2
93.07033	71.0
95.04956	14.5
95.08589	45.0
97.06507	10.8
97.10155	5.2
99.08099	4.0
103.05408	2.3
105.07017	64.7
107.04953	5.6
107.08583	37.9
109.06487	7.4
109.10141	17.8
111.04485	2.4
111.08079	6.8
115.05433	4.5
117.06993	33.4
119.08561	37.8
121.06486	5.8
121.10126	28.1
123.08062	6.9
123.11676	2.3
125.09637	3.6
128.06212	4.6
128.70041	2.2
129.06996	16.3
131.08548	57.8
133.06483	6.2
133.10106	31.4
135.08076	8.2
135.11693	12.0
137.09566	4.2
139.11179	3.0
141.06966	4.2
142.07738	3.8
143.08553	18.4
145.06474	3.7
145.10109	25.4
147.08037	4.0
147.11691	9.7
149.09619	7.5
149.13240	20.2
152.78545	2.4
153.06972	2.3
155.08571	12.4
157.10097	12.1
159.11674	21.2
161.09532	3.3
161.13306	4.8
163.11122	3.8
167.08572	5.4
169.10120	11.5
171.11690	10.4
173.13283	6.3
175.11153	3.3
177.12669	6.1
181.10027	5.7
183.11647	6.9
185.13150	6.2
187.14868	4.3
195.11719	6.3
195.13829	6.9
197.13318	4.4
199.14764	4.4
201.12735	2.9
205.16032	3.0
209.11674	2.3
209.13478	3.6
211.14757	5.9
211.42120	2.4
223.14859	4.1
225.16360	4.7
226.07175	2.5
233.15202	2.3
247.16902	5.4
255.17398	4.7
261.18436	3.7
273.18494	4.3
291.19568	7.1
313.75507	2.4
316.11804	2.8
325.25241	6.4
335.23792	7.4
343.26376	10.8
353.24713	31.6
371.25735	41.8
389.26758	42.6
427.28342	4.0
445.29440	95.9
463.30557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.67706	0.7
53.03941	3.2
55.01873	3.7
55.05505	16.8
57.03436	6.7
57.07058	2.3
65.03929	3.1
67.05499	72.2
69.03442	1.3
69.07060	26.6
69.98436	3.7
71.01347	1.4
71.04982	5.2
72.94442	0.6
73.02925	1.3
79.05486	48.9
79.16037	0.7
81.03403	3.5
81.07048	92.5
82.07410	0.7
83.04976	9.2
83.08614	17.7
85.02940	1.0
85.06528	5.1
87.04455	0.8
91.05472	27.1
92.24072	0.7
93.07034	71.3
95.04961	9.8
95.08598	25.4
97.06512	14.5
97.10186	2.9
98.20795	0.9
99.04465	0.7
99.08108	3.9
105.04557	0.9
105.07023	9.6
107.04958	2.0
107.08584	37.7
109.06525	4.1
109.10137	4.8
111.08070	9.7
111.11664	1.1
113.06014	0.9
113.09644	1.3
117.06995	10.7
119.08562	4.6
121.06520	2.3
121.10133	23.7
123.08080	1.4
123.11689	1.8
125.09618	3.0
129.06999	1.2
130.07765	0.7
131.08557	11.5
133.10123	8.9
134.10504	0.9
135.08070	2.9
135.11685	12.1
139.11169	2.0
144.09450	0.7
145.10138	3.0
147.11731	2.4
149.09694	0.9
149.13240	45.9
151.11209	1.3
157.10144	0.7
159.11661	18.5
163.11186	2.0
165.12823	0.8
167.14270	1.0
173.13269	0.9
177.12724	10.6
181.12286	0.8
189.11299	1.0
195.13789	19.6
195.15431	1.4
213.14778	3.8
219.13727	3.5
227.12892	1.8
251.16461	1.0
269.17496	1.0
271.13864	1.1
283.16016	0.9
333.19202	1.0
371.25928	0.9
445.25150	1.0
445.30258	1.4
463.30643	100.0
464.30713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
53.59014	1.1
55.01854	3.5
55.05255	1.2
55.05508	19.4
56.38251	0.9
57.03430	8.2
57.07067	2.1
60.35334	1.0
61.02922	1.2
65.03936	3.3
66.32996	1.0
67.05499	88.2
69.03445	1.5
69.06710	2.0
69.07064	27.0
70.31886	4.7
71.01350	1.2
71.04993	6.1
71.08629	1.2
73.02901	2.1
77.03938	1.7
79.05485	54.3
81.03413	4.2
81.07051	98.8
82.07392	1.2
83.04971	8.6
83.08614	18.1
85.02860	1.3
85.06043	1.0
85.06522	5.0
85.33356	1.0
88.81976	0.9
91.04890	1.1
91.05470	29.7
93.07037	80.3
95.04966	10.4
95.08602	27.5
97.06529	16.3
97.10177	4.2
99.08084	4.7
101.78931	1.1
103.05466	1.1
105.07009	10.6
107.04960	2.8
107.08585	41.4
109.06489	5.5
109.10145	6.5
111.08080	9.9
117.07012	13.0
119.08558	5.5
121.06518	3.5
121.10133	23.9
123.08049	1.7
123.11730	2.4
125.09594	1.7
131.08557	12.3
131.09459	1.5
133.10133	9.3
135.08049	2.7
135.11688	13.6
139.11215	3.0
143.08546	1.1
145.10162	2.9
147.11688	3.1
149.09686	1.6
149.13245	48.3
150.13707	1.1
151.11179	2.0
159.11682	19.8
163.11180	2.2
167.14294	1.4
171.11688	1.0
172.96982	1.0
177.12729	10.9
195.13814	18.4
195.15466	1.8
213.14879	4.4
219.13857	4.1
227.12799	3.1
251.16528	2.2
264.01859	1.3
344.20609	1.2
463.30649	100.0
464.31073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26591	0.6
53.03934	0.8
55.01858	0.9
55.05488	1.0
57.03430	18.0
60.31059	0.5
61.02919	7.3
65.03926	0.5
67.05497	0.6
69.03422	20.7
69.07060	0.7
70.06571	1.7
71.01350	3.1
71.04980	5.0
71.61292	1.0
73.02909	37.0
81.03425	3.4
81.03821	0.8
81.07036	0.8
83.04976	1.0
84.04500	0.6
85.02893	33.8
86.09693	1.0
87.04447	3.0
91.03931	1.3
91.05453	1.0
93.07051	1.1
95.04919	0.9
95.08565	0.9
97.02878	33.0
97.06490	0.8
99.04436	1.7
103.03912	0.7
105.07011	1.9
107.04934	0.9
107.08546	1.3
109.02860	3.0
111.00773	0.9
115.03913	27.9
119.08538	1.3
121.02850	29.0
121.10133	0.8
123.04398	0.8
123.08026	0.8
127.02968	0.6
127.03897	9.4
129.05437	2.1
133.04953	9.7
133.10098	1.2
135.04401	0.6
137.02313	2.9
137.05960	2.4
139.03889	1.4
145.04941	11.3
147.04404	1.1
147.11554	0.6
153.01833	5.3
153.05447	50.1
154.05740	0.9
161.05975	0.7
163.03825	1.1
163.05997	2.8
163.07230	0.6
163.11110	0.6
165.01880	0.9
165.05455	0.8
169.05080	0.5
183.02922	1.0
183.11620	0.8
193.04976	0.9
201.05376	0.8
217.05019	0.7
223.05983	2.4
226.19440	0.6
229.04950	2.5
241.07065	3.0
242.35007	0.6
245.04330	0.8
257.04437	1.9
259.08151	1.6
267.12366	0.8
273.03918	0.8
282.14005	0.6
282.17084	0.6
285.03906	1.1
288.05920	0.9
295.10236	1.4
303.04953	100.0
315.53296	0.6
319.04416	13.3
329.02740	0.6
464.08374	0.8
464.18152	0.7
464.28647	0.9
465.10349	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.05495	0.3
56.05023	0.5
57.03427	0.3
58.06622	0.5
59.07380	0.2
60.08156	6.5
61.02905	0.2
62.08833	0.1
67.05505	0.7
69.03423	1.5
69.07052	0.2
69.16487	0.1
71.04974	0.2
71.07362	3.0
77.83656	0.1
79.05482	0.9
81.03401	0.2
81.07047	0.6
83.04980	0.3
85.02884	1.2
86.09695	31.2
87.04457	0.9
91.05475	0.7
91.98642	0.1
93.07040	1.2
95.04961	0.3
95.08558	0.3
97.02883	1.3
98.98456	2.7
103.28371	0.1
104.05189	0.2
104.10036	0.2
104.10726	2.9
104.11393	0.2
105.07020	0.4
107.08575	1.1
115.03927	1.1
119.08546	0.3
121.10170	0.2
123.04464	0.2
124.99989	21.0
127.03909	0.4
133.04951	1.3
133.10155	0.4
135.11674	1.3
137.06017	0.2
143.01035	0.4
145.04962	0.3
147.11691	0.3
150.07561	0.2
163.03928	0.2
184.07318	100.0
185.07712	0.7
189.12794	0.2
231.18759	0.2
258.11072	0.2
303.04990	1.3
311.16449	0.2
319.04547	0.2
446.23059	1.3
464.24078	5.6
465.24484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74814	2.5
55.05496	11.3
57.03427	5.9
61.02917	7.6
65.03941	2.9
67.05495	12.6
67.89451	2.5
69.03435	6.9
69.07050	7.7
71.04993	13.7
71.61846	6.1
79.05488	14.3
81.03409	83.5
81.07056	19.9
83.04979	8.7
83.08616	22.6
85.02890	24.1
89.58511	2.5
90.03563	2.5
91.05470	17.5
93.07035	14.7
95.04958	35.7
95.08607	3.7
96.80877	2.7
97.02863	7.2
98.21142	3.7
105.07009	17.2
107.04942	7.0
107.08580	8.3
109.06483	6.6
109.10152	6.1
111.08080	11.6
119.08553	12.9
121.06550	3.2
121.10142	12.9
123.04414	4.5
125.09631	3.6
129.06995	12.6
131.08557	8.3
133.10109	8.9
135.11703	4.4
139.03882	12.0
145.10117	4.7
147.07990	3.8
147.11678	9.9
149.02347	7.5
149.09616	4.3
151.03874	3.1
153.01828	6.8
157.10094	11.0
163.03897	7.5
163.11185	3.5
165.01799	3.7
169.08725	3.0
175.11162	11.9
193.04970	5.4
193.12233	84.1
196.64729	2.8
211.13277	8.4
229.04868	6.3
237.07625	5.3
241.04903	6.5
245.04663	3.8
257.04260	3.5
267.15891	54.5
285.16968	56.0
286.99374	3.1
303.04977	100.0
309.16995	5.7
319.04477	24.3
334.00662	2.8
363.17896	4.7
368.61023	3.3
377.30518	3.2
385.09280	5.6
393.19171	3.1
429.11612	3.8
464.28342	4.4
465.19299	26.1
465.28644	6.3
474.15271	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	464.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01857	0.4
55.05498	0.9
56.05020	0.5
57.03424	2.5
58.06591	0.5
59.04990	0.6
60.04512	0.3
60.08158	6.2
61.02927	0.3
67.05492	1.8
69.03069	0.4
69.03423	7.4
69.07054	0.9
70.06564	0.3
71.01353	0.3
71.04969	0.8
71.07369	2.3
71.63778	0.4
72.08121	0.3
73.02916	0.6
73.79518	0.2
79.05488	3.8
81.03387	1.2
81.07043	1.9
83.04956	0.9
83.08620	0.2
85.02893	7.9
86.09696	30.1
87.04459	4.8
91.03968	0.3
91.05464	2.8
93.06451	0.6
93.07034	9.9
94.07340	0.3
95.04959	1.4
95.08579	1.0
97.02884	6.6
98.98466	2.7
99.04459	0.6
104.10733	3.8
105.07039	1.7
107.04911	0.4
107.08585	10.8
109.02881	0.5
109.10150	0.5
111.04426	0.4
111.08102	0.3
115.03922	7.7
117.07001	0.5
119.08557	1.4
121.06530	0.4
121.10152	1.1
123.04409	1.0
124.99995	19.5
127.03914	1.4
129.05402	0.4
130.37930	0.3
131.08557	0.7
133.04958	8.6
133.06479	0.4
133.10094	1.5
135.04430	0.4
135.11684	10.4
137.02347	0.4
137.05939	0.7
139.03821	0.6
140.07367	0.3
143.08617	0.4
145.04974	1.3
145.10175	0.4
147.04367	0.6
147.11665	1.0
149.13266	0.3
150.07623	1.8
153.01859	0.4
153.12704	0.4
157.10121	0.4
159.11687	0.5
163.03931	0.9
163.06004	0.7
165.05473	0.6
166.02818	0.3
173.13203	0.3
177.12772	0.6
184.07326	100.0
185.07713	0.8
201.12733	0.3
229.04843	0.4
266.24515	0.3
267.16187	0.5
277.09192	0.4
284.25388	0.3
303.04947	8.1
305.20557	0.3
315.11777	0.3
319.04507	2.2
446.22922	1.1
464.18860	0.3
464.24170	4.3
464.30493	0.5
465.19186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50120	1.5
54.79574	1.8
55.01857	3.7
55.05495	3.4
57.03426	3.9
57.07053	1.7
67.05506	8.7
68.84445	1.8
69.03402	9.6
69.07045	3.2
71.04975	7.6
71.61612	2.6
71.61979	2.0
73.02900	4.6
73.06208	1.7
78.66129	1.8
79.05471	7.5
81.03404	3.9
81.07049	18.1
83.04955	4.7
83.08577	2.7
85.02413	2.6
85.02885	25.6
87.04458	3.2
91.05436	8.3
93.07028	43.3
94.32443	1.9
95.04952	8.7
95.08593	13.2
97.02884	8.3
97.06488	3.4
99.04417	4.3
105.07014	16.3
107.08588	25.2
109.02894	2.9
109.06525	11.0
109.07194	2.5
109.10125	6.1
110.07198	1.7
111.08060	22.1
111.42595	1.7
113.06018	1.9
115.03920	4.3
119.04874	2.3
119.08571	14.0
120.04462	4.1
121.06483	5.9
121.10133	12.2
123.04407	2.8
123.08041	6.1
123.11654	5.0
123.72504	1.9
125.09628	2.2
127.03891	5.1
129.07024	2.0
131.08566	4.1
133.04941	5.2
133.10091	13.7
135.08009	3.9
135.11653	20.6
136.11931	2.3
137.02296	3.0
137.05945	4.4
137.09613	2.9
139.07498	4.0
142.07603	2.0
145.04930	3.6
145.10139	4.5
147.04373	3.9
147.08067	3.9
147.11658	25.5
149.09634	4.3
149.13246	2.9
151.07472	2.7
153.01807	7.1
153.12685	4.7
157.08568	18.5
157.10091	6.0
159.11670	4.6
161.09602	3.1
163.03894	3.3
165.01816	2.7
165.05440	1.9
165.12727	9.4
173.13255	2.9
175.07529	5.7
175.11211	9.9
175.14717	9.0
181.04941	1.8
185.13255	4.7
189.12657	2.5
193.12230	11.8
203.14227	8.8
207.29565	1.9
211.13277	2.3
213.12737	5.1
221.15283	7.0
225.14679	1.6
229.04942	4.9
231.13734	12.5
244.14894	1.9
249.14832	48.5
250.50117	2.0
257.04306	3.2
267.15869	100.0
268.16266	2.3
285.16925	2.5
303.01486	3.8
303.04959	77.2
318.06729	4.6
319.04431	14.8
464.21796	2.5
464.33304	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	464.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01865	0.6
55.05494	1.2
57.03431	3.1
59.04983	0.7
60.04477	0.4
60.08155	5.6
60.72890	0.3
61.02902	0.7
65.03925	0.3
67.05511	1.6
69.03421	11.5
69.07044	1.2
70.88281	0.8
71.04976	1.3
71.07368	2.9
72.53478	0.3
73.02900	0.7
75.04477	0.6
79.05482	5.6
79.85397	0.3
81.03416	1.7
81.07043	2.3
83.04977	0.6
85.02897	10.5
85.03419	0.5
85.82767	0.3
86.09695	29.5
87.04456	7.8
88.15910	0.3
91.03950	0.7
91.05476	4.0
93.07030	16.3
95.04958	2.4
95.08588	1.2
97.02882	9.4
98.98462	2.3
99.04417	0.6
103.03932	0.5
104.10735	3.2
105.07024	2.6
107.08583	16.3
108.08890	0.5
109.02834	0.5
109.06474	0.8
109.10134	0.9
111.04402	0.3
115.03915	12.1
117.07004	0.5
119.08544	1.6
121.06544	0.3
121.10126	1.2
123.04395	1.2
123.11639	0.4
124.99989	20.5
127.03893	1.8
131.08546	1.0
133.04950	13.8
133.10109	1.3
135.11674	15.2
137.06004	0.3
139.03957	0.3
143.08557	0.4
145.04968	1.8
145.10091	0.9
147.04364	0.4
147.11620	1.1
149.13206	0.4
150.07603	3.2
153.01814	0.5
153.12708	0.5
157.10144	0.5
159.11665	1.0
163.03896	0.7
165.05544	0.4
169.04855	0.4
171.11739	0.3
173.13255	0.5
175.11154	0.3
177.05453	0.3
177.12733	1.3
183.11700	0.5
184.07317	100.0
185.07741	1.1
189.05460	0.5
219.13641	0.4
229.04973	0.5
231.13762	0.5
241.07103	0.8
249.14850	0.3
259.08069	0.5
267.15900	0.9
277.09344	0.5
289.69440	0.3
295.09927	0.7
303.04935	7.7
303.08282	0.6
312.16733	0.5
319.04416	1.5
342.10425	0.3
446.22815	0.7
464.24026	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	464.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01865	0.6
55.05494	1.2
57.03431	3.1
59.04983	0.7
60.04477	0.4
60.08155	5.6
60.72890	0.3
61.02902	0.7
65.03925	0.3
67.05511	1.6
69.03421	11.5
69.07044	1.2
70.88281	0.8
71.04976	1.3
71.07368	2.9
72.53478	0.3
73.02900	0.7
75.04477	0.6
79.05482	5.6
79.85397	0.3
81.03416	1.7
81.07043	2.3
83.04977	0.6
85.02897	10.5
85.03419	0.5
85.82767	0.3
86.09695	29.5
87.04456	7.8
88.15910	0.3
91.03950	0.7
91.05476	4.0
93.07030	16.3
95.04958	2.4
95.08588	1.2
97.02882	9.4
98.98462	2.3
99.04417	0.6
103.03932	0.5
104.10735	3.2
105.07024	2.6
107.08583	16.3
108.08890	0.5
109.02834	0.5
109.06474	0.8
109.10134	0.9
111.04402	0.3
115.03915	12.1
117.07004	0.5
119.08544	1.6
121.06544	0.3
121.10126	1.2
123.04395	1.2
123.11639	0.4
124.99989	20.5
127.03893	1.8
131.08546	1.0
133.04950	13.8
133.10109	1.3
135.11674	15.2
137.06004	0.3
139.03957	0.3
143.08557	0.4
145.04968	1.8
145.10091	0.9
147.04364	0.4
147.11620	1.1
149.13206	0.4
150.07603	3.2
153.01814	0.5
153.12708	0.5
157.10144	0.5
159.11665	1.0
163.03896	0.7
165.05544	0.4
169.04855	0.4
171.11739	0.3
173.13255	0.5
175.11154	0.3
177.05453	0.3
177.12733	1.3
183.11700	0.5
184.07317	100.0
185.07741	1.1
189.05460	0.5
219.13641	0.4
229.04973	0.5
231.13762	0.5
241.07103	0.8
249.14850	0.3
259.08069	0.5
267.15900	0.9
277.09344	0.5
289.69440	0.3
295.09927	0.7
303.04935	7.7
303.08282	0.6
312.16733	0.5
319.04416	1.5
342.10425	0.3
446.22815	0.7
464.24026	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	464.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90468	0.5
51.81603	0.5
53.03942	0.8
55.01854	0.7
55.05265	0.6
55.05509	10.3
57.03434	6.8
57.07055	1.5
61.85376	0.5
62.06073	0.7
67.05499	26.2
67.40952	0.5
69.06709	1.0
69.07060	12.6
71.04980	1.0
71.61312	0.6
79.05481	6.4
81.07050	23.1
83.04998	0.6
83.08622	7.6
85.02879	1.3
85.06506	1.2
86.92115	0.5
91.05457	4.3
92.05791	0.6
93.07040	7.9
93.98112	0.5
94.07346	0.6
95.04963	0.9
95.08596	14.7
95.52326	0.6
97.06520	1.6
97.10151	1.7
99.08017	0.8
105.07030	2.9
107.08572	3.8
109.10155	7.4
111.08083	0.9
117.07057	0.7
119.08563	3.1
121.10134	2.7
123.11711	2.7
133.10086	2.9
135.11653	1.7
147.11671	1.5
149.13278	1.4
161.13188	1.2
195.13750	0.7
216.06398	1.0
249.22200	0.8
292.26535	3.0
303.04971	4.1
311.57388	0.7
319.04510	1.6
319.08374	0.6
323.25772	100.0
324.26117	2.4
464.30807	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	465.1024
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03905	0.1
55.01847	0.2
57.03421	0.2
61.02904	0.2
65.03899	0.2
65.22363	0.1
67.05495	0.1
67.48531	0.1
68.99762	0.5
69.03417	0.7
69.74819	0.5
70.06569	0.2
73.02869	0.1
79.54581	0.1
81.03380	0.4
85.02888	1.7
86.09646	0.1
87.04423	0.2
91.05461	0.1
93.03357	0.3
95.04931	0.3
97.02857	0.5
98.21487	0.1
99.04408	0.1
107.08539	0.1
109.02866	0.5
110.09671	0.1
111.00771	1.0
115.03857	0.1
121.02837	0.9
123.04386	0.2
127.03893	0.6
131.04828	0.1
135.04401	0.2
135.11691	0.1
137.02316	3.1
137.03362	0.2
141.34854	0.1
145.04910	0.5
145.06511	0.1
145.10173	0.1
147.04369	0.1
149.02328	0.6
153.01797	3.8
155.04875	0.2
159.04431	0.1
161.05943	0.2
163.03902	0.7
165.01813	2.2
166.02553	0.3
173.05927	0.6
177.05475	0.2
179.03377	0.1
183.02841	0.9
183.04401	0.2
187.03865	0.2
195.02824	0.2
201.05444	1.6
203.03247	0.1
205.04953	0.2
211.03954	0.1
211.92809	0.1
213.05402	0.2
215.03279	0.1
217.04826	0.1
219.02951	0.2
219.06502	0.3
228.04201	0.2
229.04918	4.5
230.05353	0.1
233.04498	0.1
237.31519	0.1
239.03300	0.2
245.04526	0.1
247.05951	0.6
257.04416	2.9
267.11322	0.2
274.04620	0.8
275.05411	0.3
285.03906	1.6
285.12228	0.2
303.04935	100.0
304.05283	2.6
304.08621	0.2
319.04401	0.3
465.10226	3.7
465.30176	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	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87519	0.1
52.22416	0.1
53.03937	0.5
53.42583	0.1
55.01870	0.4
55.05512	0.2
57.03432	1.4
59.04987	0.2
61.02637	0.1
61.02919	2.1
65.03947	0.2
67.05488	0.3
68.99788	0.8
69.03423	6.3
69.07052	0.2
70.06588	0.2
71.01349	0.3
71.04988	0.9
72.08131	0.1
73.02908	1.1
74.09713	0.1
74.17302	0.1
75.05595	0.2
79.05485	0.2
81.02940	0.1
81.03405	2.0
81.07047	0.2
83.01326	0.2
83.05029	0.1
85.02896	16.0
86.03229	0.1
86.09693	0.2
87.04454	1.3
91.03965	0.8
91.05466	0.4
93.03398	0.5
93.07029	0.3
95.04948	0.4
95.08595	0.5
97.02883	4.3
99.04440	1.1
101.02359	0.4
103.03957	0.6
105.07013	0.4
107.08582	0.3
109.02871	2.0
109.06475	0.2
109.10170	0.2
111.00781	1.0
111.04371	0.1
113.05998	0.1
113.09620	0.3
115.03919	0.5
117.07006	0.2
119.08571	0.4
120.08084	0.2
121.02869	1.2
121.10124	0.2
123.04388	0.4
123.08019	0.1
127.03905	4.1
129.06989	0.1
131.04906	0.2
131.08571	0.3
133.04930	0.1
133.06386	0.1
133.10139	0.3
135.04381	0.3
135.08038	0.1
135.11642	0.1
136.07607	0.2
137.02327	3.1
137.05930	0.1
139.03891	0.2
143.08575	0.2
145.04951	2.2
145.06479	0.2
145.10088	0.4
147.04387	0.2
147.11681	0.2
149.02353	0.7
151.03856	0.2
153.01810	5.1
153.12691	0.1
155.04929	0.1
155.08546	0.1
157.06500	0.1
157.10060	0.1
159.11658	0.3
161.05949	0.3
163.03882	0.8
163.05971	0.1
165.01830	2.3
166.02576	0.2
169.10078	0.2
171.11699	0.2
173.05975	0.5
177.05545	0.1
179.03378	0.2
181.10057	0.1
183.02873	1.0
183.04448	0.3
183.11662	0.2
185.05858	0.1
185.13289	0.3
187.03885	0.4
187.14854	0.2
191.03423	0.3
191.07018	0.1
195.02928	0.2
199.04004	0.1
199.14919	0.2
201.05447	2.1
201.16364	0.1
202.28009	0.1
203.03322	0.2
205.04999	0.3
207.02913	0.2
211.03914	0.2
213.05518	0.3
215.03386	0.2
217.04987	0.3
219.03024	0.2
219.06546	0.3
228.04213	0.3
229.04939	5.2
230.05382	0.2
233.04504	0.1
241.04993	0.1
245.04428	0.3
246.05176	0.2
247.05974	1.0
255.02812	0.2
257.04410	3.2
257.07043	0.2
258.05002	0.2
269.04376	0.3
273.03876	0.3
274.04703	1.4
275.05377	0.3
285.03940	1.6
286.04688	0.3
297.03827	0.4
301.03430	0.6
302.04236	1.1
303.04956	100.0
304.05301	2.3
313.03473	0.3
315.04871	0.2
319.04507	1.5
325.03375	0.2
327.04996	0.5
329.02826	1.6
329.06546	0.2
331.04520	0.2
341.06870	0.1
343.04388	0.9
345.05997	1.5
361.05457	0.2
373.05481	0.4
411.07214	0.2
419.29239	0.2
429.08054	0.2
440.18817	0.1
447.09094	0.5
447.28973	0.2
465.10245	3.8
465.16827	0.4
465.23544	0.2
465.29669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1019
Annotation	Myricitrin
Peak:m/z	Relative Intensity
53.03939	0.5
55.01847	0.5
57.03170	0.5
57.03427	4.8
58.67636	0.3
59.04985	0.3
61.02893	0.4
64.00523	0.3
66.92477	0.3
68.99767	1.3
69.03408	1.0
70.55242	0.7
70.55636	0.7
71.04981	30.8
73.02898	0.7
74.97192	0.3
75.04459	0.9
75.74595	0.3
81.03414	0.4
83.04958	0.9
85.02892	30.2
87.04434	0.8
97.02842	0.5
102.12835	0.3
109.02840	1.1
111.00803	1.6
111.03658	0.3
111.04430	1.2
126.83904	0.3
127.03918	0.6
129.05450	7.2
137.02292	2.0
147.06479	0.7
153.01799	8.6
161.06030	0.4
165.01810	2.7
179.03354	1.1
183.02834	1.0
189.05406	0.6
195.02933	0.7
201.05359	0.4
203.03429	0.5
207.10057	0.4
216.20592	0.3
217.04962	2.4
229.04948	0.5
245.04453	3.8
255.02800	0.4
269.69644	0.4
273.03854	4.4
283.02066	0.4
290.04108	0.8
291.04889	0.5
294.43945	0.4
301.03439	1.0
303.04950	9.6
304.05276	0.4
319.04434	100.0
320.04776	4.0
331.04376	0.6
347.00400	0.3
361.05576	0.7
447.09317	0.5
493.60565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1019
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.88905	0.4
53.03937	0.8
55.01861	0.8
57.03428	1.1
60.41080	0.3
61.02915	2.5
62.34039	0.4
67.06026	0.3
68.99770	0.7
69.03421	4.8
69.56349	2.8
69.56671	0.5
71.04993	0.6
73.02914	0.6
78.70168	0.4
79.58090	0.3
81.03394	2.1
82.10319	0.3
83.08404	0.3
85.02896	10.9
87.04446	0.5
91.03924	0.7
95.04969	0.5
95.26614	0.3
97.02892	4.0
99.04432	0.9
109.02897	1.9
111.00787	1.3
121.02831	1.3
127.03901	2.2
132.67235	0.3
137.02341	4.6
145.04959	1.4
153.01814	6.2
161.05949	0.7
163.03819	0.9
165.01831	2.3
166.02589	0.5
173.05930	0.9
173.77930	0.3
183.02876	1.4
183.04436	0.8
187.04034	0.5
188.67876	0.3
189.15660	0.3
201.05421	3.0
229.04944	6.6
230.05402	0.4
247.05919	1.2
257.04465	4.3
274.04681	1.2
275.05597	0.4
285.03943	2.0
303.04959	100.0
304.05258	2.1
326.52655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05483	0.2
57.03412	0.4
61.02909	0.4
67.01849	0.2
67.05482	0.4
68.99787	0.4
69.03423	1.6
69.82577	0.5
69.83010	0.6
70.06603	0.2
70.81621	0.1
71.01319	0.2
71.04974	0.9
73.02907	3.8
75.41650	0.2
75.68171	0.1
81.03404	0.6
81.07030	0.3
85.02412	0.3
85.02896	4.7
87.04457	0.6
91.05441	0.2
93.03377	0.2
93.07027	0.2
95.04958	0.2
95.08562	0.2
97.02863	1.1
99.04438	0.6
105.07001	0.2
107.08562	0.3
109.02848	0.8
111.00795	0.4
119.08553	0.4
121.02853	0.5
121.06519	0.2
121.10123	0.3
123.04431	0.3
127.03912	1.2
131.08554	0.2
133.10213	0.1
137.02316	1.3
137.05934	0.2
139.03970	0.2
145.04919	0.7
145.10103	0.3
147.04327	0.2
149.02298	0.2
151.03868	1.0
153.01816	4.6
155.04909	0.2
161.13235	0.2
163.03914	0.5
165.01845	1.2
171.02855	0.4
173.05991	0.3
173.13223	0.2
177.01833	0.3
183.02856	0.5
195.02907	0.3
199.14832	0.2
201.05428	0.9
203.03419	0.4
229.04933	2.3
245.04416	0.3
247.06068	0.3
256.45572	0.1
256.48325	0.2
257.04407	2.3
273.03906	0.2
274.04797	0.4
285.03918	1.1
301.03326	0.2
302.04221	0.3
303.04953	100.0
304.05304	3.5
319.04453	1.9
345.06049	0.3
371.03894	0.4
465.10257	2.6
465.29901	0.4
466.10739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03929	0.1
57.03416	0.2
61.02910	0.2
65.03922	0.3
68.99769	0.6
69.03412	0.6
69.79147	0.8
71.04969	0.3
73.02900	1.7
81.03389	0.5
81.07043	0.1
85.02895	1.7
87.04459	0.2
91.03910	0.2
91.05480	0.1
93.03394	0.3
95.04956	0.3
97.02867	0.4
98.21496	0.1
99.04451	0.3
105.03397	0.1
109.02840	0.6
111.00801	1.1
121.02853	1.2
123.04401	0.3
127.03885	0.6
131.04872	0.1
135.04378	0.2
137.02319	3.6
137.03372	0.2
145.04912	0.3
145.06454	0.2
147.04321	0.1
149.02336	0.5
153.01801	4.2
155.04886	0.2
161.05969	0.3
163.03908	0.9
165.01819	2.3
166.02621	0.2
173.02406	0.1
173.05972	0.4
179.03299	0.2
183.02853	1.0
183.04446	0.3
187.03871	0.4
195.02786	0.3
201.05432	2.0
205.04948	0.2
207.02846	0.1
211.03584	0.1
211.14694	0.1
215.03319	0.1
219.06575	0.3
228.04105	0.2
229.04939	5.4
230.05293	0.2
239.03416	0.3
247.05977	0.8
255.79836	0.1
257.04410	3.2
274.04749	0.9
275.05493	0.4
285.03925	1.5
287.05457	0.3
303.04947	100.0
304.05255	1.9
319.04477	1.0
385.63019	0.1
465.10266	3.0
465.28717	0.2
466.10300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01855	0.2
56.42401	0.1
65.03596	0.1
65.03923	0.3
67.01829	0.1
67.05476	0.1
68.99773	0.7
69.03430	0.2
71.04970	0.2
71.60423	0.1
71.60773	0.1
81.03393	0.2
85.02869	0.4
91.05442	0.1
93.03398	0.4
95.04942	0.3
97.02846	0.1
109.02868	0.4
111.00793	1.1
111.04391	0.1
117.07030	0.1
121.02855	1.0
123.04433	0.4
127.03899	0.2
129.06984	0.1
131.04906	0.1
133.06392	0.1
135.04396	0.2
137.02315	3.6
137.03391	0.2
145.06462	0.2
149.02293	0.4
153.01796	4.7
155.04895	0.3
157.06427	0.1
159.04373	0.1
161.05981	0.3
163.03873	0.6
165.01807	2.2
166.02611	0.3
167.03395	0.1
173.05980	0.5
177.05464	0.1
179.03331	0.2
183.02858	1.0
183.04434	0.4
185.05972	0.1
187.03850	0.4
191.03413	0.2
191.06975	0.1
195.02850	0.3
201.05432	2.3
205.04953	0.2
207.02892	0.2
211.03848	0.1
213.05530	0.1
215.03203	0.2
219.03017	0.2
219.06516	0.3
228.04109	0.2
229.04926	5.3
230.55983	0.1
232.03752	0.1
239.03474	0.2
246.05209	0.1
247.06006	0.9
257.04395	3.5
258.05112	0.1
267.11075	0.1
274.04648	1.1
275.05426	0.2
285.03888	1.6
285.12338	0.2
303.04938	100.0
304.05270	2.2
319.04404	0.3
401.46927	0.1
465.10126	1.2
465.19040	0.2
485.71143	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	465.1025
Annotation	Isohyperoside
Peak:m/z	Relative Intensity
51.02381	0.7
55.01870	4.0
57.03423	0.7
59.75155	0.6
61.02928	1.0
65.03936	0.9
67.05518	1.5
68.99795	2.2
69.03394	0.8
70.06586	0.8
71.63180	0.6
72.08119	0.8
77.03915	1.2
81.03398	1.4
84.61870	0.5
85.02898	3.1
86.09666	0.7
89.03919	0.7
91.05473	2.0
95.01305	1.6
95.04965	3.0
97.02873	1.0
98.97567	0.9
105.03410	2.8
107.04930	1.6
109.02837	1.4
111.00802	2.5
111.04447	1.9
115.05392	0.7
116.98637	1.0
119.04925	2.4
121.02846	3.0
123.04415	93.2
123.94760	0.6
124.05198	1.3
127.03908	17.5
131.04918	1.5
135.04399	12.0
137.02318	4.6
137.05991	1.3
139.03888	10.6
141.01904	0.6
146.03665	1.0
147.04408	10.0
148.04704	0.7
149.02336	2.1
149.05952	1.6
150.03079	1.3
151.03889	3.6
153.01820	4.1
155.04927	1.1
159.04407	1.2
161.05972	1.5
163.02527	1.0
163.03894	17.7
165.01822	5.3
165.05521	1.0
167.03395	3.0
167.07034	1.6
173.05960	2.0
175.03874	1.6
177.01811	5.9
177.05470	1.2
179.03384	13.2
183.02870	1.8
183.04388	1.0
185.05916	0.7
187.03920	2.7
189.05511	1.1
191.03372	7.3
195.02875	4.7
197.05975	2.1
201.05469	4.1
203.03392	6.0
205.04913	3.4
207.02936	2.0
209.34688	0.6
215.03397	1.7
215.07195	0.7
217.04942	2.2
219.02887	7.1
220.03419	0.6
221.04437	1.9
223.02356	10.6
225.05522	0.7
229.04924	6.1
231.02870	3.6
233.04427	3.4
243.02899	0.6
243.06436	1.4
245.04507	1.7
247.02284	0.6
247.05988	0.7
249.03947	1.7
251.05640	0.9
253.04953	1.6
254.05629	0.8
255.06511	2.6
257.04544	4.3
259.02359	2.2
261.03873	4.0
267.05014	1.4
271.05988	81.3
272.06750	16.4
273.07440	2.7
274.04645	1.1
275.05850	0.5
279.04947	12.9
281.04214	0.7
283.06015	1.3
285.03778	1.5
285.12283	0.9
289.07010	2.5
295.04547	2.3
297.05978	7.5
303.04959	100.0
304.05283	1.8
307.04367	2.1
311.05493	2.0
313.05475	4.0
319.04495	7.0
323.05191	1.2
325.05466	15.6
337.05560	9.1
341.06393	0.9
365.05682	1.0
367.08121	1.0
383.07391	0.6
401.08600	0.9
411.07040	2.4
419.09592	1.0
429.08105	6.5
447.09271	3.8
465.09988	4.4
465.19739	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22838	0.1
53.03950	0.1
53.69495	0.1
55.01851	0.2
61.02887	0.1
65.03928	0.2
67.01852	0.1
67.05500	0.1
68.99776	0.7
69.03415	0.3
70.06565	0.1
71.04986	0.1
71.61115	0.1
72.08138	0.1
73.02895	0.1
78.46294	0.1
79.05428	0.1
81.03418	0.4
81.07050	0.1
85.02907	0.5
88.43047	0.1
91.05456	0.1
93.03413	0.3
93.07018	0.1
95.04957	0.4
97.02860	0.2
99.04433	0.1
105.03382	0.1
107.04926	0.1
107.08516	0.1
109.02859	0.6
111.00782	1.2
116.07059	0.1
117.06998	0.1
119.04913	0.1
119.08547	0.1
121.02849	1.2
123.04435	0.4
125.02299	0.1
126.03021	0.1
127.03889	0.4
129.06987	0.1
131.04909	0.1
133.06459	0.1
133.10046	0.1
135.04399	0.2
136.07536	0.1
137.02319	4.0
137.03314	0.2
137.05898	0.1
139.03896	0.2
145.02863	0.1
145.04916	0.1
145.06474	0.2
147.04387	0.1
149.02315	0.5
150.50226	0.1
153.01801	4.5
155.04927	0.2
157.06456	0.1
159.04366	0.1
160.05150	0.1
161.05984	0.3
163.03893	0.7
165.01813	2.4
166.02650	0.3
171.02960	0.1
173.05966	0.5
177.01831	0.1
177.05441	0.2
179.03381	0.1
183.02855	1.0
183.04422	0.3
185.05905	0.1
187.03917	0.4
189.05525	0.1
191.03389	0.2
191.06992	0.1
195.02882	0.3
201.05431	2.0
203.03291	0.1
205.04950	0.2
207.02814	0.2
211.04030	0.1
213.05510	0.2
215.03436	0.2
217.05138	0.1
219.02986	0.1
219.06525	0.3
228.04120	0.2
229.04927	5.2
230.05429	0.1
233.04263	0.1
239.03384	0.2
246.05241	0.1
247.06006	0.9
257.04419	3.4
261.03955	0.1
274.04678	0.9
275.05313	0.3
285.03915	1.6
285.12112	0.1
286.04581	0.1
302.04129	0.2
303.04938	100.0
304.01740	0.1
304.05286	2.5
315.04953	0.1
336.36795	0.1
465.10236	1.3
465.19568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1905
Annotation	Conrauinone B
Peak:m/z	Relative Intensity
51.02346	0.3
53.03919	0.6
55.01868	1.4
55.05505	3.1
57.03421	0.5
65.03918	0.9
65.15432	0.2
67.05494	6.9
68.99777	2.8
69.03409	1.5
69.07063	2.2
71.04990	1.5
71.61853	0.4
79.01835	0.3
79.05048	0.4
79.05483	5.8
81.03387	1.1
81.07047	6.3
83.04955	0.7
83.08608	1.2
85.02894	2.6
85.06523	0.5
90.09854	0.3
91.05470	7.1
93.03380	0.3
93.07033	4.9
95.04958	2.5
95.08037	0.4
95.08591	4.1
97.02872	0.5
97.06525	0.7
97.10150	0.8
99.04452	0.3
99.08070	0.4
103.05427	0.9
105.07018	5.4
107.04945	4.5
107.08582	4.6
109.02878	0.5
109.06490	1.0
109.10147	3.4
110.03613	0.3
111.00791	1.9
111.04418	0.8
111.08009	0.4
115.05437	1.9
116.06203	0.4
117.07009	3.3
119.04951	1.2
119.08570	5.2
121.02844	1.9
121.06470	0.8
121.10130	3.6
123.04409	3.1
123.08022	0.6
123.11666	0.8
125.02309	0.2
125.09618	0.4
127.03890	1.2
128.06212	1.9
129.06984	3.6
130.07765	0.9
131.04910	1.3
131.08562	5.1
133.06461	1.1
133.10117	3.0
134.03581	0.3
135.04404	4.6
135.08031	0.9
135.11678	1.2
137.02310	1.0
137.05952	1.9
137.09608	0.4
139.03885	15.8
141.06966	3.0
142.07726	0.8
143.04932	0.5
143.08537	2.7
144.04614	0.2
144.05722	1.1
145.04877	0.3
145.05312	0.4
145.06467	5.2
145.10098	4.2
147.04388	7.3
147.08000	1.1
147.11662	1.6
149.05962	1.0
149.09584	0.8
149.13217	0.7
150.02995	0.2
151.03893	1.5
151.07530	0.6
151.11162	0.5
152.06154	0.7
153.01903	1.2
153.05475	0.7
153.06969	1.6
154.07724	0.4
155.04875	0.5
155.06064	0.7
155.08546	1.9
156.09320	1.0
157.06470	3.4
157.10101	2.9
158.07225	0.7
159.04375	1.2
159.08029	2.9
159.11668	2.5
160.05197	0.6
161.05969	8.5
161.09618	0.7
161.13254	1.3
163.03886	60.2
163.07570	0.9
163.11104	0.5
164.04619	1.2
165.01796	0.4
165.05458	1.1
165.06950	1.1
166.07751	0.3
167.08565	1.8
167.10623	0.3
168.05766	0.3
168.09326	0.5
169.06419	2.3
169.10094	1.5
170.10867	0.8
171.04372	1.9
171.07999	2.0
171.11658	1.8
173.05977	5.7
173.09547	1.2
173.13266	1.7
173.55211	0.3
175.03891	0.7
175.07628	1.4
175.11145	0.6
175.14813	0.7
177.05487	2.8
177.06874	0.4
178.07759	0.6
179.03346	1.6
179.08533	1.3
181.06470	2.2
181.10039	1.4
182.07283	0.7
182.10880	0.8
183.08034	2.3
183.11674	1.5
184.05183	0.8
185.05963	5.1
185.09540	1.5
185.13231	2.5
186.06773	0.7
187.07535	5.7
187.11252	0.4
187.14786	2.6
189.05464	0.7
189.09004	0.4
189.12782	0.5
189.16296	0.3
190.07730	0.4
191.03426	0.4
191.06985	0.3
191.08545	0.8
191.14374	0.5
193.06351	0.3
193.10133	0.5
194.07257	0.7
195.08028	2.0
195.11722	0.8
196.05051	0.3
196.08786	0.5
197.05977	3.6
197.09596	1.2
197.13252	1.3
198.06767	0.5
199.07520	3.5
199.11160	0.7
199.14801	2.1
200.04611	0.3
201.05502	1.6
201.09067	1.8
201.12706	0.8
201.16379	1.5
203.06970	0.4
203.14316	0.4
205.10095	0.6
207.08022	1.0
209.06015	1.2
209.09589	0.9
209.13290	0.9
210.06705	0.6
211.07530	2.8
211.11104	0.5
211.14772	1.3
212.08466	0.4
213.05418	1.2
213.09085	1.2
213.12685	0.3
213.16318	0.9
214.06207	0.4
215.06924	0.4
215.10629	0.6
215.14313	0.5
215.17838	0.3
217.15887	0.5
219.08020	0.7
219.11595	0.3
220.08839	0.3
221.05980	0.7
221.09607	0.9
221.13315	0.3
221.15350	0.3
222.06689	0.5
223.07481	2.2
223.11023	0.6
223.14807	0.8
224.08310	0.6
225.05525	2.2
225.09103	1.0
227.06996	0.7
227.10609	0.6
227.14290	0.4
227.17897	0.4
229.04982	0.7
229.16072	0.3
233.09552	0.6
233.13283	0.4
235.07492	1.0
236.08316	0.5
237.05377	0.6
237.09065	1.4
237.16418	0.5
238.06186	0.4
239.06982	1.6
239.10612	0.4
239.17926	0.7
241.04893	0.6
241.08759	0.4
241.15878	0.6
241.19368	0.3
243.13884	0.4
243.17271	0.3
245.09717	0.3
247.07545	0.8
249.09148	0.6
249.16391	0.4
250.06271	0.6
251.07016	1.2
251.14310	0.7
251.18051	0.4
253.04991	0.3
253.08572	1.0
253.12300	0.3
255.06573	0.3
255.13768	0.5
257.04358	0.5
257.07922	0.4
257.15454	0.4
261.09116	0.9
263.06976	2.0
263.18018	0.5
264.07697	0.3
265.05026	0.5
265.08575	1.9
265.12137	0.3
265.19589	0.3
266.05801	0.9
267.06479	0.9
267.13580	0.4
267.21021	0.3
269.08121	0.6
269.15372	2.4
270.05197	1.1
277.05203	0.4
277.08563	1.4
278.09381	0.3
279.06598	1.6
279.09650	0.4
279.13831	0.9
279.20926	0.3
280.07172	0.4
281.08127	1.1
283.06021	0.9
284.06613	0.3
285.07492	1.7
285.14850	1.3
285.18240	0.4
288.07816	0.4
289.08566	0.9
291.06525	1.1
292.07388	1.2
293.04370	0.7
293.08054	1.4
293.15265	1.3
293.94888	0.3
294.05200	0.9
294.08389	0.3
295.06036	3.7
295.09302	0.6
295.16809	0.3
296.06693	0.5
297.03766	0.3
297.07608	0.7
297.14868	4.6
303.04947	12.3
304.05173	0.6
304.14096	0.3
305.07913	2.1
306.05502	0.5
306.08960	0.8
307.05960	1.1
307.09647	1.0
308.06702	1.4
309.07526	12.3
309.14838	0.8
310.08105	0.3
313.18030	0.9
315.15875	27.3
316.16272	0.6
317.07953	1.3
318.08740	0.4
319.04358	2.6
319.09637	0.6
320.06845	0.7
321.07574	1.3
321.14798	1.1
322.08237	0.4
323.09045	1.7
327.15762	0.4
331.09433	0.4
331.17123	0.3
333.07538	1.3
334.08292	2.1
335.09097	2.4
335.16211	0.5
339.15945	1.3
347.09158	2.4
349.10651	3.5
361.10724	0.6
363.12207	1.7
363.16071	0.7
377.17633	0.5
381.16888	0.4
383.76904	0.3
401.17349	1.6
401.28455	0.7
404.15735	0.3
405.16806	0.4
411.16003	0.5
419.18518	4.3
419.29547	2.4
421.30954	0.6
429.16925	7.2
430.17285	0.3
432.15628	0.5
437.19550	1.0
447.17984	100.0
448.18332	3.0
465.19077	33.0
465.29181	5.8
466.19223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1904
Annotation	Conrauinone B
Peak:m/z	Relative Intensity
51.02380	0.2
53.03926	0.5
54.13219	0.2
55.01851	1.0
55.05507	2.5
57.03416	0.3
65.03905	0.7
65.78824	0.2
67.05162	0.3
67.05498	5.3
68.99773	1.8
69.03410	1.1
69.07062	1.8
71.04969	0.9
77.03925	0.3
79.01840	0.6
79.05488	4.1
81.03408	0.8
81.06636	0.3
81.07053	4.8
83.04950	0.7
83.08593	0.9
85.02897	2.2
89.03918	0.4
91.05470	5.9
93.03376	0.5
93.07027	3.4
95.04971	1.4
95.08585	2.3
97.02888	0.4
97.06492	0.7
97.10153	0.4
98.20693	0.5
103.05450	0.7
105.03353	0.3
105.07007	2.7
107.04948	3.3
107.08591	2.0
109.02859	0.4
109.06483	0.8
109.10147	2.3
110.03609	0.3
111.00803	1.3
111.04426	0.6
112.58138	0.2
115.05420	1.6
116.06226	0.4
117.07009	2.6
119.04910	1.1
119.08559	1.8
121.02067	0.3
121.02853	3.0
121.06490	0.6
121.10171	1.5
123.04398	2.1
123.08072	0.3
123.11698	0.5
125.05987	0.4
125.09573	0.4
127.03897	0.7
128.06207	1.4
129.07008	3.7
130.07761	0.5
131.04948	1.8
131.08556	2.9
133.06462	0.8
133.10110	1.5
135.04396	2.9
135.08000	0.6
135.11635	0.7
137.02367	0.3
137.05952	1.6
137.09641	0.3
139.03885	17.9
141.05460	0.8
141.06950	2.8
143.08531	1.0
144.05684	0.7
145.02834	0.6
145.06468	4.0
145.10098	1.2
147.04393	4.9
147.08008	0.9
147.11642	0.9
149.02304	0.2
149.05957	0.7
149.09496	0.2
149.92709	0.2
151.03859	0.9
151.07506	0.3
151.11208	0.3
152.06158	0.6
153.01801	0.6
153.05444	1.0
153.06972	1.4
154.07706	0.3
155.04863	0.6
155.06012	0.5
155.08548	1.2
157.06482	3.5
157.10091	0.7
158.07217	0.7
159.04395	1.7
159.08020	2.3
159.11610	0.6
160.05191	0.5
161.05963	7.6
161.09546	0.3
163.03885	100.0
164.04288	1.4
164.71783	0.2
165.05508	0.5
165.06963	0.9
166.07664	0.4
167.07230	0.3
167.08563	1.0
168.05737	0.3
169.06453	2.5
169.10104	0.6
170.07123	0.3
171.04408	1.9
171.08038	1.6
171.11632	0.4
173.05966	6.7
173.09583	0.7
173.13315	0.4
175.03928	0.4
175.07510	0.8
175.11235	0.3
175.14833	0.3
177.05490	1.8
178.07858	0.2
179.03429	1.1
179.08505	0.6
181.06471	1.8
181.10123	0.7
182.07286	0.7
183.04425	0.4
183.08000	1.7
183.11627	0.4
184.05148	0.6
185.05963	4.5
185.09566	1.0
185.13139	0.4
186.06680	0.9
187.03920	0.6
187.07520	4.6
187.14775	0.3
189.05475	0.4
189.09155	0.3
189.12543	0.3
191.08705	0.3
191.10597	0.3
193.06514	0.3
193.08524	0.3
193.12248	0.3
195.08047	1.8
196.08797	0.2
197.05957	3.5
197.09576	1.1
197.13379	0.3
198.06718	0.5
199.03793	0.3
199.07504	2.4
199.11191	0.5
199.14789	0.3
200.08347	0.2
201.05472	1.6
201.09090	0.9
203.07013	0.4
205.10240	0.2
207.08020	0.6
209.05978	1.0
209.09578	0.9
210.06691	0.8
211.07491	2.0
211.14668	0.3
213.05446	0.9
213.09102	1.3
215.10696	0.4
219.08043	0.4
221.05873	0.2
221.09538	0.3
223.07523	1.6
223.11122	0.4
223.14862	0.2
225.05402	2.0
225.09052	0.8
226.06181	0.3
227.06956	1.0
227.10663	0.5
229.04890	0.4
233.09305	1.4
233.13200	0.3
235.07530	0.5
237.05461	0.5
237.09064	1.0
239.06972	0.9
239.10608	0.3
240.07779	0.3
241.04990	0.9
241.15913	0.4
242.05623	0.4
243.06319	0.3
245.09357	0.3
247.07739	0.5
249.09016	0.5
250.06140	0.4
251.07040	1.0
251.10678	0.4
251.14307	0.4
253.04791	0.4
253.08629	0.4
255.06406	0.4
256.07285	0.3
257.04327	0.3
261.08948	0.3
263.07114	1.1
264.07935	0.3
265.08493	1.1
265.12195	0.3
266.05637	0.5
267.06479	0.7
267.13748	0.3
269.04413	0.4
269.07983	0.5
269.15335	2.6
270.05231	0.7
275.07065	0.4
277.08545	0.9
279.06601	0.7
279.10571	0.3
279.13733	0.9
281.08063	0.5
281.15356	0.3
283.05893	0.6
284.06863	0.3
285.03781	0.3
285.07532	0.6
285.12131	0.3
285.14859	0.8
287.07047	0.4
288.07739	0.3
289.08679	0.7
291.06540	0.6
292.07184	0.3
293.08060	0.8
293.15317	1.4
295.06100	1.7
295.09180	0.4
297.03952	0.4
297.07596	0.4
297.14822	10.2
303.04959	7.4
303.13358	1.1
304.05338	0.5
305.08041	1.3
306.08673	0.4
307.06125	0.4
307.09714	0.7
308.06815	1.1
309.07544	7.7
309.14804	1.1
311.16248	0.4
315.15863	36.6
316.16284	1.3
317.08127	0.8
319.04535	1.9
319.09311	0.3
320.06821	0.4
321.07520	0.6
321.14737	1.2
322.08450	0.3
323.09125	1.1
327.15872	0.4
333.07458	0.7
334.08215	1.9
335.09009	1.8
335.16315	0.6
336.09860	0.3
337.17917	0.4
339.15775	1.2
347.09015	1.0
349.10739	1.4
363.12042	0.7
363.16086	0.5
367.17911	0.4
381.17139	0.3
401.17145	0.6
405.16779	0.5
419.14493	0.2
419.18591	2.4
429.16953	3.1
429.29922	0.5
437.19550	0.7
447.17984	62.2
448.18268	2.3
465.19070	23.3
465.29993	1.4
466.19498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.1
53.03948	7.3
55.01867	7.9
55.05256	1.9
55.05504	26.9
57.03434	17.1
58.79714	1.2
58.91116	1.3
59.04978	1.4
61.02896	1.3
65.03928	4.3
67.05498	71.0
68.99757	2.2
69.03416	8.6
69.06771	1.4
69.07064	18.3
71.01344	3.6
71.04984	13.1
71.63669	2.5
79.05486	63.8
81.03410	48.7
81.07049	51.9
83.04975	19.9
83.08613	21.6
85.02899	31.7
85.06535	4.3
91.05472	51.1
91.05962	0.8
91.06062	1.6
93.07034	63.9
95.04961	43.4
95.08595	17.9
97.02877	3.9
97.06528	15.0
97.10164	14.9
99.04445	2.5
99.08078	2.8
105.07024	34.3
107.04954	10.5
107.08578	40.7
108.08958	1.5
109.06512	8.9
109.10150	10.3
111.00761	1.8
111.04425	3.7
111.08084	10.3
113.05993	2.7
115.05435	4.8
117.06997	12.8
119.04874	1.5
119.08562	23.2
121.02872	3.9
121.06486	3.3
121.10138	15.4
123.04426	11.7
123.08051	5.5
123.11713	3.1
125.09630	4.2
127.03898	2.2
128.06206	4.0
129.07004	12.1
131.04884	3.9
131.08568	18.1
133.06438	3.4
133.10117	16.9
135.04442	3.3
135.08054	3.2
135.11681	44.1
137.02386	1.8
137.09608	4.0
139.03865	7.2
141.06985	2.4
142.07738	3.1
143.08553	5.3
145.06480	6.2
145.10100	16.4
147.04390	3.0
147.08051	3.3
147.11655	15.7
149.05939	2.5
149.09583	6.8
149.13255	2.0
151.03937	3.7
151.11174	1.6
153.01799	4.1
155.08531	2.5
157.06525	2.7
157.10120	12.4
159.04457	2.4
159.08018	2.2
159.11694	4.8
161.05954	3.0
163.03891	90.8
163.11201	7.5
163.14871	1.5
164.04248	2.1
165.06967	2.1
165.12755	1.5
169.06499	3.1
169.10062	2.6
171.11624	3.6
173.05989	15.6
173.13268	2.4
175.11183	16.4
175.14854	2.1
177.12741	1.6
181.12216	6.2
183.08165	1.7
183.11732	1.5
185.05899	1.6
185.13208	2.8
187.07689	1.9
189.11227	2.6
193.12227	46.4
197.06004	2.0
197.13196	1.3
198.06845	1.6
199.11349	1.7
199.14755	1.7
201.05550	1.7
203.14288	2.2
205.12074	1.4
209.06181	1.3
211.13277	56.8
213.05478	2.1
213.09184	1.6
215.07018	2.1
223.13058	1.7
229.04872	2.8
239.18021	2.1
241.04999	5.0
243.06476	7.3
249.14705	1.8
255.15826	10.1
267.15912	9.2
269.15271	1.7
270.05252	2.3
271.05859	10.6
273.71710	1.4
273.75443	1.4
283.05899	3.6
295.06006	2.4
297.07547	3.7
297.14978	1.8
303.04959	49.6
304.05322	4.7
309.07587	9.7
315.15875	48.8
316.16284	2.7
319.04385	12.4
323.09067	15.2
324.09583	1.4
329.20956	4.1
335.09210	1.8
347.22177	2.2
355.22528	3.2
373.23566	9.4
403.24643	3.3
421.25861	3.6
429.26279	2.1
447.18094	16.9
447.27451	15.7
465.18869	20.8
465.28421	100.0
466.28638	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	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13937	0.4
53.03939	1.0
55.01871	0.4
55.05495	1.1
57.03426	5.3
57.07067	2.5
59.04988	1.3
60.04511	0.4
61.02905	0.5
65.03928	0.7
67.05494	5.4
69.03423	18.5
69.07054	3.5
69.52752	0.4
70.43360	1.6
71.04977	0.5
73.02903	1.3
75.04503	0.6
79.05486	8.1
81.03397	0.9
81.07047	100.0
82.07326	0.5
85.02892	15.9
87.04459	13.9
91.03944	0.5
93.07047	2.1
95.04990	0.9
95.08598	19.8
95.19624	0.4
97.02881	17.1
98.20877	0.5
99.04477	1.0
105.07008	0.8
107.08590	1.2
109.02866	0.7
109.10158	2.0
111.04452	0.4
115.03915	28.8
120.31760	0.3
123.04414	0.5
126.38848	0.4
127.03895	3.1
127.30102	0.4
131.08571	0.5
133.04950	30.9
135.11667	0.7
137.13240	25.0
138.13644	0.4
139.03865	0.4
145.04945	3.8
149.13269	0.5
150.07597	3.8
159.11713	0.5
163.03905	1.6
163.06024	1.3
164.04312	0.8
169.04941	0.7
173.13103	0.5
175.06078	0.6
177.12769	0.6
179.14417	0.6
223.06026	0.4
233.15381	0.5
241.07129	1.2
259.08035	2.6
269.17493	1.9
277.09329	1.5
295.10193	3.7
304.05362	0.4
331.98840	0.4
349.10382	0.4
406.15442	0.4
448.18237	0.7
466.19540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.2
57.03431	6.3
57.07069	4.6
67.05498	9.0
69.07063	16.3
69.57354	5.2
71.04955	0.7
71.08617	3.2
76.69000	0.6
79.05477	4.5
81.07051	13.0
83.08614	10.8
85.02876	0.7
85.10179	1.1
91.05456	0.9
93.07031	7.2
95.08594	10.3
97.06507	1.9
97.10163	6.3
98.20890	1.8
98.21530	1.1
107.08594	4.4
109.10145	4.2
111.08025	0.8
111.11723	1.2
115.44028	0.6
121.10139	5.1
123.11715	1.5
123.62135	0.6
125.09605	0.9
134.81966	0.6
135.11719	4.0
137.13226	1.3
145.10005	0.8
149.13225	1.4
157.10143	0.8
233.22952	0.7
249.91182	0.6
251.23578	1.3
294.27817	3.2
303.04883	0.9
304.05371	1.4
325.27341	100.0
326.27698	3.1
379.54800	0.6
467.31165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1184
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
50.17250	1.3
55.01878	3.6
55.79076	1.3
65.03926	3.2
67.05495	1.9
68.99796	3.2
69.03424	3.3
70.05890	6.6
70.06578	1.6
73.02885	1.4
80.02437	1.6
80.24310	1.4
81.03408	3.8
83.61942	1.5
85.02898	15.7
95.04974	4.2
97.02884	3.5
98.20776	2.4
98.97595	2.1
107.05014	1.5
109.02903	2.0
111.04430	7.6
116.98596	1.4
118.36707	1.4
120.08145	1.7
121.02889	8.7
123.04425	60.6
127.03933	7.7
135.04410	5.2
137.02295	2.0
137.06038	1.9
139.03932	8.2
147.00789	1.4
147.04385	8.5
149.02332	68.5
151.02687	1.5
151.03882	7.2
153.01822	100.0
157.06432	2.4
161.02330	8.4
161.05910	1.5
163.03912	5.4
165.01868	3.2
167.03404	15.0
171.02878	6.3
173.02409	1.6
177.05450	2.7
179.03395	5.4
183.02873	4.6
185.05946	6.2
191.03485	2.4
195.02887	30.6
203.03474	3.3
207.02831	1.9
213.05493	10.7
219.02936	2.2
229.04909	2.1
231.06514	56.4
234.04971	1.6
241.04945	5.6
249.03975	2.1
255.06520	3.2
257.04517	1.8
258.05170	4.3
259.06009	55.8
259.08731	3.2
269.12814	4.6
271.05969	1.8
283.05963	2.7
287.05490	33.2
287.13821	4.2
293.08795	1.7
301.07135	2.4
303.04913	4.8
304.05234	3.2
305.06534	88.2
311.05328	2.4
316.33200	1.6
317.06375	3.8
325.07117	2.2
329.06631	5.0
347.07452	4.1
383.07635	2.4
395.07245	2.0
467.10928	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	467.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
51.39769	0.2
53.03930	0.3
55.01860	0.3
55.05497	1.1
56.34853	0.2
57.03424	0.5
65.03944	0.3
67.05495	1.1
69.03413	0.9
69.07063	1.2
69.61723	0.5
69.62135	1.3
70.06582	0.3
70.16154	0.3
71.04981	1.3
73.02913	0.4
75.04467	0.2
78.04687	0.9
79.05479	2.3
81.03405	0.5
81.07053	2.8
83.04967	0.4
83.08607	0.4
85.02900	2.3
85.06520	0.3
86.09710	0.4
88.16926	0.2
91.05472	2.2
93.03406	0.3
93.07034	2.0
95.04917	1.3
95.08592	2.3
97.02876	0.6
97.06516	0.6
97.10165	0.2
98.21519	0.2
99.08086	0.2
103.05439	0.5
105.03374	0.4
105.07014	4.7
106.04144	0.6
107.04960	1.9
107.08587	2.8
109.02827	0.2
109.06499	0.7
109.10162	1.2
111.04415	0.3
115.05461	0.4
116.98584	0.3
117.06995	0.7
119.04909	0.4
119.08556	4.3
119.09345	0.4
121.02821	0.5
121.06488	1.4
121.10135	1.6
123.04417	4.2
123.08031	0.7
123.11668	0.6
124.05218	1.4
125.05994	0.4
125.09617	0.3
127.03872	0.4
128.06192	0.4
129.07010	0.4
131.04915	0.3
131.08540	2.1
133.06465	1.7
133.10115	2.5
134.03659	0.5
135.04417	0.4
135.08020	0.6
135.11700	0.8
137.05948	0.9
137.09570	0.4
139.03838	0.3
142.07811	0.5
143.08577	1.5
145.04942	0.3
145.10115	3.6
147.04404	0.4
147.08040	0.4
147.11650	1.4
149.05965	1.9
149.09618	0.6
149.13264	0.7
151.03867	1.0
151.07504	0.4
152.04683	1.4
152.07034	0.4
153.01804	1.1
153.05438	0.5
153.09181	0.2
155.08521	0.4
156.09308	0.5
157.10135	1.8
159.07967	0.4
159.11650	3.1
161.05986	1.5
161.09567	0.7
161.13237	1.0
163.03894	0.6
163.07545	0.3
163.11134	0.3
163.14841	0.4
165.05394	0.4
165.09073	0.3
167.07016	100.0
168.07388	1.5
169.10156	0.6
170.10851	0.6
171.11670	1.6
173.13246	2.4
175.14781	1.2
177.05489	0.5
177.09045	0.3
177.12744	0.3
179.07004	0.4
181.08545	1.6
181.09961	0.3
182.10910	0.3
183.11671	0.4
185.13226	1.7
187.10988	0.3
187.14815	1.3
189.08972	0.2
189.12698	0.4
189.16310	0.5
191.03365	0.7
191.07047	0.3
191.14328	0.8
193.08585	5.3
193.15874	0.3
195.11795	0.3
196.62889	0.2
197.13203	0.5
199.14795	2.0
201.12561	0.3
201.16325	1.2
203.14305	1.1
203.18025	0.3
205.15927	0.4
209.08058	1.9
211.03928	0.3
211.09624	5.4
211.11478	0.4
211.14729	0.4
213.16290	0.5
215.14369	0.4
215.17952	0.3
217.15887	0.6
219.17506	0.2
221.15385	0.8
225.16432	0.4
225.34464	0.3
227.14348	0.3
229.15811	0.3
239.03317	0.4
239.17908	0.3
241.10748	1.4
245.15404	0.4
267.12262	1.9
285.13306	2.0
287.05527	0.5
287.16357	0.4
295.02359	1.0
303.04919	0.7
304.05292	0.8
305.05502	2.0
305.14117	0.5
305.17642	0.4
361.02203	0.5
379.03314	0.4
391.29794	0.3
393.27637	0.3
403.29904	0.6
405.31287	0.3
411.16592	0.3
421.31104	1.5
449.30338	1.2
467.18604	0.7
467.31812	2.5
484.25500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3152
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03955	1.5
55.01868	1.0
55.05505	12.5
57.03426	1.9
57.07063	3.3
61.25591	1.0
65.03942	2.1
67.05495	17.9
69.03422	5.8
69.07062	11.9
71.04980	2.1
71.13036	2.4
73.02898	2.3
77.03935	1.5
79.05485	15.9
81.03405	2.4
81.07047	47.1
82.07386	4.0
83.04968	1.8
83.08609	5.2
85.02896	7.5
85.06542	2.9
91.05464	25.5
91.05997	1.8
93.07033	38.7
93.07615	2.0
95.04948	9.6
95.08598	49.7
97.02891	3.5
97.06525	13.5
97.10182	2.3
98.97626	1.2
99.04412	1.6
99.08084	4.1
103.05453	1.8
105.07019	64.0
107.04984	1.8
107.08579	54.9
109.06523	9.7
109.10143	23.8
111.08048	5.2
115.03889	1.3
115.05437	2.5
117.07018	10.2
119.08567	100.0
121.06497	8.7
121.10126	31.3
123.04453	1.7
123.08054	10.3
123.11687	8.0
125.05984	1.7
125.09610	6.8
127.03901	2.2
127.07569	1.2
127.11211	1.2
128.06245	4.5
129.06990	10.0
130.07790	3.9
131.08549	53.3
133.06505	2.5
133.10112	53.9
135.08035	11.6
135.11685	14.5
137.05978	2.0
137.09596	5.0
137.13272	3.8
138.13626	3.1
139.07532	1.6
141.06985	3.2
142.07785	8.4
143.08548	26.0
143.09673	1.5
144.09340	6.0
145.05002	2.2
145.10103	78.7
146.10692	1.1
147.08026	9.3
147.11674	31.6
148.11980	1.3
149.09589	6.6
149.13223	13.7
151.03917	1.0
151.07538	2.7
151.11172	2.9
153.01851	2.7
153.09149	1.5
155.08527	7.0
156.09338	6.4
157.10115	41.1
158.10864	5.4
159.08122	3.7
159.11671	55.9
161.09598	13.3
161.10736	1.4
161.13225	17.5
163.07547	5.3
163.11153	7.3
163.14786	9.5
165.07060	1.3
165.09007	1.2
165.12758	2.2
167.08621	1.9
167.10684	1.4
168.09294	2.0
169.10120	10.4
170.10851	5.6
171.08093	1.0
171.11674	27.3
172.12444	2.9
173.09654	4.8
173.13245	61.9
174.13708	1.4
175.11211	8.7
175.14809	34.0
176.11925	1.6
177.09195	1.7
177.12701	9.5
177.16341	5.5
179.10559	0.9
179.14259	2.5
181.10112	2.4
182.10939	2.5
183.11682	12.9
184.12462	4.0
185.13237	28.7
185.14807	2.1
187.11246	4.0
187.14793	50.3
189.09058	5.5
189.12700	6.5
189.16345	17.5
191.03432	1.4
191.10793	1.1
191.14288	28.7
193.10184	1.7
193.12183	2.4
193.15897	3.0
195.11696	4.0
196.12439	1.7
197.13235	10.5
199.14804	59.4
199.29689	1.1
201.12666	6.5
201.16357	33.5
203.10681	1.2
203.14304	26.4
203.17924	5.1
205.15852	12.9
207.11739	1.6
207.13815	1.7
209.13290	4.3
211.14801	7.2
213.12999	2.2
213.16333	14.5
213.18040	1.5
215.10690	1.4
215.14360	6.9
215.17897	4.8
217.12448	1.8
217.15837	23.0
219.13811	2.7
219.17453	3.4
221.13226	2.5
221.15317	38.2
223.14859	2.6
225.16476	4.7
227.14340	2.9
227.17987	5.7
229.15916	5.0
229.19586	1.6
231.13832	2.8
231.17422	4.0
233.15344	9.4
235.14876	2.1
235.16841	7.8
237.16405	2.9
239.18015	4.5
241.15849	1.4
241.19485	2.9
243.17395	2.2
245.15358	10.8
247.16782	5.5
251.18021	4.2
253.19563	4.4
255.17499	1.7
255.21165	1.6
257.15375	1.5
259.16870	1.7
261.18787	1.2
263.18195	1.1
265.19626	1.9
267.21140	2.0
270.17999	1.4
273.18533	1.4
277.19818	1.2
285.18604	1.8
287.20120	2.9
291.21329	1.3
296.10760	1.3
299.20242	1.6
304.05194	1.3
317.22891	1.2
319.24463	1.7
325.21683	1.3
327.04956	1.1
339.23105	1.7
351.23096	1.5
351.92300	1.1
353.24762	1.5
355.04556	2.4
365.28558	1.5
373.28943	1.6
385.28912	3.3
391.29889	4.5
403.29922	16.0
405.31598	4.0
419.29480	4.6
421.31012	32.2
422.31775	1.4
423.32657	6.3
423.37766	1.2
431.29587	7.1
437.30542	6.2
439.31934	2.1
449.30432	21.0
467.13547	7.7
467.31625	73.8
468.13699	1.3
468.32019	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.61679	2.1
55.05503	13.4
57.03445	2.6
59.16108	2.3
65.03939	3.2
66.00539	2.1
67.02599	2.2
67.05495	25.9
69.03432	2.6
69.07069	15.6
69.38690	9.6
69.39116	15.0
71.04996	3.7
79.05491	18.6
81.07042	43.8
83.04970	7.9
83.08621	5.8
85.02896	3.1
85.95051	2.6
91.05462	29.1
93.07034	45.5
94.83263	2.3
95.04951	17.5
95.08594	51.5
97.06528	15.1
97.10185	3.8
98.21555	4.1
105.07021	66.9
107.08585	57.9
109.06509	8.9
109.10145	23.6
109.60830	2.7
111.08082	7.4
117.07008	14.5
119.08570	100.0
121.06489	7.0
121.10134	39.0
122.10427	2.7
123.08087	7.7
123.11697	9.8
125.09633	8.0
128.06197	5.5
129.07011	10.0
130.07800	3.9
131.08551	53.9
133.10120	51.8
135.08073	7.5
135.11687	25.2
137.09659	2.5
139.03914	4.2
139.07521	2.8
140.64822	2.4
141.06975	5.7
142.07800	7.6
143.08551	31.5
145.10110	73.4
147.08018	6.1
147.11687	33.5
149.05992	3.5
149.09662	9.1
149.13300	13.3
151.07509	3.3
151.11234	2.8
153.09116	2.8
155.08531	10.6
156.09337	7.2
157.10120	35.1
158.10905	2.7
159.08026	4.7
159.11667	51.2
161.06671	2.3
161.09641	10.7
161.13251	26.3
163.07535	6.4
163.11171	13.3
163.14850	12.6
167.08531	4.7
169.10097	13.5
170.10814	7.4
171.11656	30.6
173.09747	4.1
173.13237	42.3
175.11182	9.8
175.14810	32.8
177.09106	4.3
177.12758	9.8
177.16382	6.6
181.10101	6.3
183.11687	22.1
185.13234	32.9
187.14810	51.7
189.12759	11.2
189.16335	13.7
191.10741	3.3
191.14339	11.1
193.12218	4.9
193.16035	3.9
195.11707	6.8
197.13306	15.3
199.11192	3.1
199.14801	38.3
201.12813	9.1
201.16376	46.0
203.10750	2.7
203.14227	13.9
203.17966	7.8
205.12180	5.3
205.15849	6.7
207.13858	5.6
208.73050	2.5
209.13254	8.4
211.14771	15.9
213.12794	2.6
213.16353	15.8
215.14345	10.3
215.17940	5.2
217.12302	3.1
217.15843	6.6
219.10164	4.4
219.13881	7.8
219.17403	3.4
221.15398	10.1
223.14917	7.1
225.16422	10.3
227.14349	4.3
227.17953	11.4
229.15921	10.9
229.19553	5.6
231.13890	4.3
231.17513	7.1
233.15347	13.2
235.14841	3.5
235.16962	6.0
237.16458	5.0
239.17932	8.2
241.19511	4.8
243.17595	5.2
245.15347	15.0
247.16930	20.3
249.18567	2.9
251.17796	3.2
253.19493	9.5
257.15408	3.4
259.17004	5.4
263.17819	3.1
265.19485	4.0
267.20984	5.2
271.16946	4.4
273.18503	7.2
277.19440	5.6
279.21216	4.2
285.18506	3.9
287.20096	3.7
291.21332	3.1
297.18488	3.4
299.20331	3.7
305.05380	2.7
305.22684	2.8
307.20752	3.4
321.76776	2.4
325.21631	6.1
339.23438	4.1
363.27045	3.6
365.24664	3.2
365.28656	3.3
373.29169	3.4
375.30447	3.1
385.28796	7.2
391.30298	5.3
394.09000	6.1
403.30032	26.3
405.31644	9.5
409.27438	3.5
419.29440	8.5
421.30933	66.7
423.32529	6.8
431.29523	14.0
437.30447	5.2
439.32391	3.0
449.30539	51.6
467.31592	92.7
468.31696	6.2
485.30511	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.92057	1.4
53.03939	2.1
55.01871	2.1
55.05504	13.7
57.03413	2.6
57.07059	4.2
61.22549	1.7
65.03916	2.7
65.55363	1.5
67.05495	20.5
69.03415	20.0
69.07064	10.2
71.04953	3.4
71.61591	2.0
77.03960	1.5
79.05471	24.5
81.03408	1.9
81.07043	37.0
83.04985	4.4
83.08597	6.0
85.02899	5.8
85.06525	5.5
91.05462	32.0
93.07028	42.6
95.04943	19.8
95.08589	50.6
97.02866	4.8
97.06508	7.8
97.10172	4.3
99.04438	6.8
99.08064	10.2
105.07015	68.5
107.04950	2.3
107.08574	77.8
109.06509	9.5
109.10133	20.5
111.04407	1.9
111.08078	4.6
115.05418	2.5
117.07013	12.5
119.08561	94.4
121.06499	4.6
121.10130	33.4
123.08059	6.8
123.11697	7.5
125.09660	3.9
127.11172	3.3
128.06232	5.4
129.06993	13.6
130.07767	2.4
131.07562	2.8
131.08546	58.6
133.06482	3.5
133.10110	46.7
133.90996	1.6
135.08067	3.6
135.11668	15.2
135.75771	1.4
137.05920	4.9
137.09520	3.3
139.07510	3.0
141.06970	2.6
142.07767	7.8
143.08542	29.9
144.09320	4.0
145.06471	2.2
145.10101	76.0
147.08049	7.5
147.11664	48.9
149.09622	6.4
149.13243	10.3
151.04051	1.7
151.07559	1.9
151.11139	2.4
153.01866	2.3
153.07018	2.2
153.09056	2.2
155.08531	11.7
156.09326	8.8
157.10104	39.4
158.10861	2.9
159.08067	5.1
159.11668	50.6
161.09601	7.9
161.13228	28.6
162.99789	1.7
163.03886	2.2
163.07535	3.8
163.11215	4.4
163.14859	6.1
167.07143	1.8
168.09358	2.8
169.10097	15.5
170.10837	4.1
171.11641	30.8
173.09636	4.9
173.13240	34.4
175.11191	6.3
175.14793	19.8
177.12776	3.6
177.16359	3.9
179.14272	5.4
181.10132	4.4
182.10869	3.0
183.11632	15.6
184.12477	3.3
185.09653	2.0
185.13234	24.5
187.11201	4.8
187.14787	38.2
188.15202	1.9
189.12675	9.4
189.16306	8.0
191.14299	5.7
193.10178	2.6
195.11589	7.9
196.12341	1.8
197.13225	15.8
199.11244	4.0
199.14778	28.8
201.12674	10.0
201.16360	59.1
203.14285	40.5
203.17986	5.6
205.12195	2.4
205.15974	2.8
207.11655	4.5
207.13654	2.4
209.13205	7.7
211.14746	12.8
213.12773	5.9
213.16339	21.8
215.14346	14.3
215.17993	5.4
217.15869	7.2
219.13832	6.2
219.17473	5.7
221.13382	3.3
221.15425	8.3
223.14813	3.8
225.16458	6.6
227.14346	3.7
227.17938	5.3
229.15880	9.8
229.19342	3.2
231.13878	3.3
231.17281	2.6
233.13214	2.5
233.15434	6.5
235.14775	2.7
235.16888	2.4
237.16342	5.2
237.96425	1.9
239.18001	6.1
241.15805	2.8
241.19499	8.7
243.17490	6.1
245.15387	7.7
247.16992	5.6
249.16377	3.0
251.17946	2.9
253.19539	4.8
255.17467	4.0
255.21170	2.5
257.19043	2.2
259.17001	7.6
265.19568	2.8
267.21158	5.7
271.20862	2.1
277.19305	2.1
285.18475	2.4
287.20071	4.8
291.05865	2.0
291.21063	2.0
293.18646	1.7
299.20129	2.5
303.04803	2.8
305.22571	1.7
309.31180	1.6
313.21451	2.0
331.23917	1.9
333.22110	2.2
347.27429	4.5
349.25320	5.5
355.04379	3.1
361.25235	2.5
385.28906	6.8
391.30185	3.2
393.27774	7.4
393.32266	2.3
403.29993	30.0
405.31668	2.5
421.30966	56.9
422.31311	2.9
423.32614	6.7
431.29510	6.2
439.32306	2.6
449.30640	27.3
467.13657	9.4
467.31610	100.0
468.31982	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.51900	2.2
55.05495	14.1
55.42981	2.0
56.89616	2.3
57.07058	2.1
59.04993	2.0
67.05491	10.2
69.03422	100.0
69.03803	4.9
69.07056	13.7
69.80704	7.0
69.81136	7.0
79.05470	7.6
81.03387	4.7
81.07058	13.3
83.04971	54.3
83.08622	4.0
91.05475	10.8
93.07024	14.3
95.04983	15.9
95.08600	34.9
97.10187	3.2
99.04441	52.1
99.05087	3.2
105.07008	25.0
107.08579	23.2
109.06490	3.0
109.10143	20.3
111.04399	3.0
111.11692	6.2
113.05998	69.6
117.06998	7.0
119.08566	34.5
121.10133	18.6
123.11657	5.6
129.06979	8.4
129.10153	2.1
131.08566	18.8
133.09311	1.8
133.10144	15.3
135.11658	7.5
142.07716	3.3
143.08536	20.7
145.10110	25.6
147.11644	17.2
149.02364	3.3
149.13211	6.2
155.08542	7.7
157.10123	15.8
159.08011	2.9
159.11685	13.9
161.13251	12.4
163.14818	5.0
169.10149	11.4
170.10823	2.4
171.11684	20.4
173.13228	13.3
173.72086	2.4
175.11150	3.4
175.14801	8.2
177.16403	3.4
182.10925	2.1
183.11679	11.5
184.12495	3.4
185.13196	9.3
187.11111	2.2
187.14778	14.2
189.12650	3.6
189.16354	8.1
193.04999	2.6
194.05263	2.9
195.11684	3.9
197.13257	13.7
199.14871	13.7
201.16324	11.9
203.17944	6.1
205.33752	2.8
207.11568	2.2
209.13240	5.7
211.14827	5.7
213.12755	3.1
213.16359	50.0
215.14233	5.2
215.17924	7.4
225.16478	10.5
227.17935	6.5
229.15868	2.7
231.17368	19.5
237.16341	6.9
239.17905	17.8
241.19411	3.4
243.17395	4.1
245.15364	9.0
247.16986	4.0
253.19412	14.5
259.16946	18.3
261.18442	4.9
267.20978	7.9
271.16977	3.4
277.19623	3.1
285.18433	9.2
289.19324	2.6
299.20044	6.4
309.25720	27.7
315.20999	2.5
317.22314	2.6
323.27289	5.7
327.26935	3.5
348.47821	2.3
355.26242	47.0
369.27771	25.7
385.28571	4.9
403.29846	11.8
419.29401	2.5
421.30862	16.5
431.29431	7.6
449.30585	18.0
467.31622	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	467.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04305	0.5
53.03939	1.5
55.01855	0.9
55.05493	2.8
56.96542	0.5
57.03407	1.7
57.07050	1.0
57.31872	0.5
59.04988	0.4
61.02913	0.8
67.05495	6.2
69.03427	3.5
69.07055	3.5
69.57303	4.0
69.57643	0.9
70.06554	1.1
71.04974	1.4
73.02902	0.6
75.04431	0.6
78.04710	0.9
79.05481	5.8
81.03389	2.0
81.07053	10.6
83.04952	1.5
83.08603	1.6
85.02889	6.1
85.06515	1.0
87.00793	0.5
91.05466	6.7
93.07037	10.2
95.04973	4.3
95.08047	0.9
95.08604	13.0
97.02883	3.5
97.06522	2.7
97.10184	1.0
98.21444	1.1
98.97555	0.6
99.04424	1.1
99.08081	2.7
103.05437	1.4
105.07018	17.9
106.04147	0.8
107.04942	2.8
107.08585	13.4
109.02862	1.3
109.06505	2.6
109.10143	6.3
111.04395	0.6
111.08067	1.2
115.05445	0.8
117.07026	2.9
119.08572	20.5
120.08065	0.8
121.02878	1.0
121.06520	2.5
121.10136	8.9
123.04436	5.3
123.08064	2.5
123.11700	2.3
124.05181	1.2
124.07593	0.7
125.05981	0.6
125.09612	1.5
126.08277	0.9
126.09145	10.1
127.03880	2.6
128.06212	1.5
129.06995	2.3
130.07747	0.9
131.04915	0.7
131.08559	13.2
133.06490	2.0
133.10124	11.9
135.08047	2.0
135.11682	4.2
136.07545	0.7
137.05943	2.0
137.09610	1.4
137.13251	0.6
139.03897	1.1
139.11214	0.6
141.06979	0.9
142.07748	2.2
143.08572	6.1
144.09305	1.1
145.04947	1.2
145.06454	0.8
145.10104	18.9
147.08026	1.5
147.11688	7.8
149.05977	1.7
149.09583	1.8
149.12183	0.6
149.13251	3.0
151.03918	1.1
151.07498	0.6
151.11070	0.8
152.04674	1.2
153.01794	2.0
153.05495	0.6
153.09106	0.7
155.08495	1.5
156.09344	2.1
157.10132	8.5
158.10854	1.2
159.08080	0.8
159.11679	15.1
161.05975	1.8
161.09599	2.2
161.13243	5.8
162.05533	3.3
162.06683	0.8
163.03929	0.8
163.07491	1.0
163.11179	1.6
163.14833	2.4
165.05473	0.9
167.07027	100.0
168.07343	3.0
169.10168	2.6
170.10907	2.5
171.08133	0.5
171.11671	6.3
173.13245	13.4
175.03857	0.6
175.07515	0.8
175.11159	2.1
175.14819	10.8
177.12714	2.2
177.16354	1.9
179.07014	1.2
179.14273	1.0
180.06522	1.7
181.08626	1.2
181.10130	0.8
182.10760	0.6
182.48862	0.6
183.11737	2.7
184.07370	1.2
185.13246	7.5
187.11232	0.9
187.14803	12.8
188.15279	0.6
189.09091	0.8
189.12729	2.0
189.16353	3.0
191.03255	0.9
191.14299	5.7
193.08604	6.0
193.12212	0.7
193.15799	0.9
195.11671	0.7
197.13245	2.6
199.14803	13.1
201.12714	1.4
201.16382	7.3
203.10687	2.3
203.14261	4.8
203.17973	1.3
205.15862	4.0
207.11562	0.6
209.08101	1.4
209.13242	1.0
211.09645	7.0
211.14806	1.8
213.16315	3.0
215.14279	1.1
215.17957	1.6
217.15863	5.6
217.19543	0.6
219.10146	1.1
219.13855	0.9
219.17464	2.1
221.13261	1.1
221.15318	5.9
223.14902	0.7
225.16412	1.2
227.14352	1.0
227.17928	1.0
229.15874	1.6
231.13893	1.0
231.17422	1.2
233.15372	0.8
235.16911	0.9
237.16455	0.8
241.10847	0.9
241.13387	1.8
241.15668	0.6
241.19481	0.6
243.15088	0.9
243.17485	1.1
245.15326	2.8
245.18950	0.9
253.19617	0.6
257.15228	0.7
263.06870	0.6
267.12320	2.2
269.12802	9.3
269.15488	0.9
270.13474	0.7
275.16473	0.8
283.02438	1.1
285.13370	1.5
287.05502	4.9
287.13876	8.8
287.16888	0.5
288.14111	0.6
303.04977	4.1
304.05325	2.4
305.05566	4.1
305.14999	4.4
313.03345	2.0
361.02277	5.6
373.05405	0.7
379.03305	2.5
385.28790	0.9
387.05368	1.1
391.30078	0.8
403.30045	3.6
405.31497	1.1
409.27145	0.7
413.18173	0.9
419.29440	0.7
421.31027	7.7
423.32892	0.8
431.29410	1.8
437.30594	1.6
439.32208	2.3
449.30603	5.6
467.09448	1.0
467.20084	0.7
467.31604	19.6
468.31870	0.6
487.05368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50386	0.8
55.05508	8.9
57.03435	1.4
57.07071	27.4
59.04994	3.3
61.09093	0.6
65.03917	2.1
67.05499	73.9
68.05827	1.2
69.07061	7.0
69.43744	3.8
69.44168	2.5
71.04982	1.6
71.08624	19.1
79.05473	2.0
81.07046	19.2
83.08611	10.9
85.06538	1.3
85.10178	9.6
89.90788	0.7
91.05457	4.4
93.07034	3.1
95.04939	0.8
95.08597	17.3
97.10178	4.0
99.11711	0.8
107.08582	1.9
109.10146	57.8
111.08033	1.6
111.11748	1.0
117.06976	0.9
119.08545	5.1
123.11680	4.6
125.13332	0.7
137.09624	3.3
137.13284	1.4
155.10652	3.1
160.14453	0.6
165.16315	0.9
173.10219	1.1
173.11723	23.2
239.23618	7.9
467.37305	100.0
468.37387	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	467.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85428	1.2
52.05380	1.0
53.03937	1.0
55.05505	9.2
57.03419	1.1
57.07073	27.7
59.04991	3.1
65.03941	2.1
67.05501	73.5
67.40744	0.9
69.07049	5.7
71.04987	2.4
71.08628	20.2
71.23080	2.3
74.36863	1.0
77.18900	1.0
79.05479	2.0
81.07053	23.2
83.08625	10.3
85.06541	2.2
85.10171	10.5
91.05476	3.4
93.07047	3.3
93.23589	1.0
95.08608	19.3
97.10162	4.2
109.10151	59.2
111.08119	1.1
119.08598	4.2
123.11702	3.6
137.09531	2.0
137.13260	1.5
155.10672	3.2
173.11731	20.1
202.39467	1.0
239.23663	5.1
426.76056	1.3
449.30872	1.4
467.37335	100.0
468.37698	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	468.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.4
57.03421	0.2
57.74210	0.1
58.06350	0.3
58.06624	0.5
59.07399	0.1
60.08152	6.0
64.31258	0.2
67.05495	0.2
69.03413	0.3
69.85878	0.4
69.86299	0.6
70.06580	0.2
71.07355	2.5
74.31297	0.1
79.05473	0.2
81.03401	0.2
81.07021	0.3
83.08618	0.2
85.02885	1.2
86.09689	27.7
91.05463	0.2
95.04919	0.3
95.08627	0.2
97.02916	0.2
98.20747	0.2
98.98446	2.4
104.10728	3.3
105.06967	0.2
111.45329	0.2
119.08589	0.2
124.99982	19.5
129.07025	0.2
143.01044	0.5
145.04900	0.2
155.02368	0.2
165.90736	0.2
181.70888	0.2
184.07306	100.0
185.07664	0.6
190.06152	0.2
258.11066	0.3
285.16760	0.2
303.04965	0.8
304.05322	2.4
305.05426	2.1
306.05756	3.7
309.15540	0.3
329.41632	0.2
450.22675	1.5
461.41745	0.2
468.23502	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	469.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30362	0.3
51.55355	0.4
51.71329	0.4
53.03951	3.1
53.42286	0.3
55.01854	1.6
55.05491	1.5
57.03430	2.0
59.05000	0.5
59.71789	0.4
67.05493	0.6
69.03419	11.3
71.01355	0.5
71.04984	5.9
71.47951	0.9
73.02900	0.6
79.05447	0.4
81.03409	24.3
81.07037	1.7
82.06569	0.4
83.04970	4.0
85.02891	2.9
86.09688	1.8
87.04437	0.4
87.09984	0.4
91.05477	0.8
95.08542	0.5
98.09666	0.7
99.03819	0.8
99.04439	10.4
99.08096	0.4
100.11233	1.0
103.03952	2.2
104.10704	1.6
105.07041	0.8
105.11098	0.5
109.02863	9.7
109.06543	0.6
110.05289	0.4
111.04424	0.5
116.10760	0.6
117.05479	2.4
118.06524	2.2
119.08568	0.6
125.00023	0.8
127.03902	2.9
128.06987	0.5
131.08604	0.5
133.10130	0.7
141.05475	0.4
145.07582	3.7
145.10091	0.4
147.08087	0.7
147.09152	8.2
163.08640	0.9
173.07092	9.9
175.08640	10.8
176.09273	0.4
182.15347	2.0
184.07318	3.6
185.07567	1.2
190.07445	0.6
191.08128	100.0
192.08426	1.7
198.14900	1.4
199.08656	1.1
201.10118	0.6
203.08101	0.8
204.08937	1.2
210.14883	1.5
213.10234	0.9
215.11853	0.8
226.14374	1.1
227.08112	0.6
231.11267	1.0
233.09279	0.8
271.10736	2.4
289.11761	8.0
289.14844	0.8
303.04971	0.8
304.05222	1.0
305.05405	2.8
306.05713	1.9
307.06158	2.7
307.12836	36.3
308.13147	0.7
325.13895	35.7
326.14398	0.6
331.12808	8.9
337.21185	1.0
349.13858	8.1
354.23718	1.3
371.15906	1.5
380.37131	0.4
389.17117	4.3
391.14996	0.6
397.13864	5.1
407.18027	1.3
409.08792	0.5
415.14951	13.0
415.23175	0.5
422.18454	0.5
433.16052	14.8
433.21991	0.9
451.17065	14.6
451.33160	0.6
452.30591	1.1
469.10538	0.5
469.23926	0.8
469.33972	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.21783	2.1
53.03944	2.6
55.05500	19.3
57.03422	2.2
57.07069	10.3
59.05017	1.9
67.05497	25.4
69.03429	5.1
69.07060	33.4
69.50591	12.4
69.50994	4.4
77.03932	2.6
79.05483	24.9
81.07048	63.9
82.54349	1.9
82.76049	1.8
83.04976	8.0
83.08611	12.2
85.06522	3.5
91.05467	39.6
93.07033	60.5
93.07620	3.8
95.04954	8.3
95.08593	100.0
97.06526	8.1
97.10163	5.8
103.05476	2.6
105.07019	78.0
106.47978	1.8
107.04951	2.1
107.07844	4.7
107.08579	87.9
109.06512	6.7
109.10148	44.0
109.10892	2.7
111.08115	4.7
114.69747	1.7
115.05476	3.5
117.07001	12.7
119.08570	90.4
121.06512	8.5
121.10130	60.6
121.11013	3.5
123.08064	8.6
123.11672	26.3
123.86508	1.8
126.18887	1.8
128.06226	6.2
129.06995	10.9
130.07780	2.6
131.08542	38.8
133.06476	5.7
133.09079	3.6
133.10112	67.0
135.08038	12.1
135.11674	67.7
136.98991	2.0
137.09636	5.6
137.13235	19.5
141.07010	6.2
142.07794	6.8
143.08553	19.7
144.09387	4.8
145.06451	7.4
145.10120	57.8
147.08026	18.7
147.10503	2.6
147.11670	46.9
149.05966	2.6
149.09630	11.8
149.13245	22.6
151.07581	9.0
151.11143	4.4
151.14801	3.8
153.07004	2.4
155.08537	12.5
156.09323	9.7
157.10129	28.4
158.07298	2.9
158.10922	3.1
159.08034	25.3
159.11662	40.1
160.12334	2.7
161.09599	37.7
161.13240	29.8
163.07574	6.8
163.11201	6.4
163.14784	10.6
165.07054	3.1
165.09077	24.6
167.08557	5.6
169.10075	13.5
170.10883	5.4
171.08023	5.5
171.11676	22.3
172.12401	2.5
173.06029	2.0
173.09593	22.2
173.13222	20.7
175.07561	6.3
175.11255	8.9
175.14813	26.5
177.09085	11.9
177.12752	5.5
177.16356	5.2
181.10187	5.4
182.10974	9.1
183.08043	4.2
183.11693	16.4
185.09624	7.3
185.13208	18.5
187.07544	7.1
187.11203	9.9
187.14815	32.6
189.09201	3.3
189.12743	6.7
189.16354	42.7
190.17125	2.6
191.10738	3.1
191.14386	4.8
191.17923	44.0
193.10210	3.3
194.10931	2.1
195.11708	9.9
197.13277	17.5
198.10367	3.4
199.11208	11.1
199.14789	19.6
201.09116	4.4
201.12682	13.9
201.16362	27.6
203.14235	9.9
203.17921	44.2
203.19698	3.0
205.12158	3.3
205.15857	17.9
205.19466	5.1
206.10948	2.2
207.11705	6.4
207.17508	2.7
208.12509	2.6
209.13278	5.2
210.10469	2.6
211.11136	3.8
211.14825	6.5
213.12730	9.6
213.16429	8.1
215.10773	2.8
215.14302	32.0
215.17862	11.1
217.10428	2.2
217.12186	10.4
217.15919	4.6
217.19540	8.6
219.11908	2.2
219.13858	7.4
219.17378	4.6
221.13347	4.1
223.14905	5.0
223.16936	3.5
224.53191	2.1
225.12730	13.6
225.16339	6.0
227.14214	3.9
227.17934	5.0
229.12279	4.5
229.15860	2.8
229.19537	5.9
231.13811	27.0
233.11722	4.1
233.15358	14.5
234.14096	2.2
235.15109	3.4
237.12750	2.1
237.16405	4.9
239.17998	3.6
241.15889	4.3
243.13776	44.4
245.13222	2.6
245.15497	6.5
245.18852	2.2
247.13309	5.8
247.20610	2.0
249.14491	2.6
249.16512	7.3
251.18015	6.8
253.15880	3.8
253.19637	4.0
255.13683	2.8
259.17059	3.0
261.14752	39.0
267.17413	3.8
267.21082	2.3
269.15442	2.5
269.18951	5.4
279.15814	67.5
279.45807	2.1
281.19000	2.0
285.18509	3.0
291.17285	2.0
297.18591	3.3
303.19986	2.0
309.22174	2.3
311.20068	2.7
387.30624	5.8
403.30093	3.4
405.31555	15.1
415.29865	9.9
421.31064	14.9
423.32733	10.0
433.31046	34.5
439.31946	9.6
451.32086	45.1
469.33191	98.6
470.33212	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
55.05507	12.6
58.09091	2.7
61.41905	2.9
61.96643	2.7
66.47416	2.4
67.05492	14.7
69.03441	3.4
69.07066	15.9
70.06640	12.6
79.05487	12.6
81.07049	35.7
82.50897	2.8
83.08609	7.8
91.05477	17.5
93.07039	39.9
95.08599	55.5
97.06525	11.1
97.10177	3.2
98.20795	3.5
98.21305	5.0
105.07024	62.3
107.07861	3.6
107.08588	60.1
107.09281	4.4
109.06499	7.6
109.10159	30.0
111.08088	4.1
117.06305	2.9
117.06968	13.8
119.08572	89.2
121.06514	3.3
121.10126	42.4
123.08075	6.3
123.11688	7.6
125.09645	6.8
128.06189	2.8
129.06999	4.5
131.08551	47.7
133.10118	44.1
135.08047	4.4
135.11699	22.0
137.09636	5.9
139.07494	3.2
142.07733	5.4
143.08530	13.5
144.09265	3.2
145.10112	59.4
147.07996	3.5
147.11676	32.4
149.09628	5.4
149.13226	17.7
155.08572	6.3
157.10123	21.3
159.11682	46.3
161.09612	10.8
161.13251	27.0
163.11194	9.0
163.14799	23.6
165.12787	5.2
167.10745	3.1
169.10172	7.5
171.11613	17.6
173.11746	4.4
173.13243	78.0
175.11183	7.3
175.14789	49.1
177.12689	3.4
177.16316	14.2
183.11670	11.5
185.13275	20.7
187.14807	64.6
189.12776	5.0
189.16339	24.9
191.14278	58.7
191.17995	3.7
193.12180	2.7
193.15930	6.7
197.13272	6.7
199.14804	27.0
201.16359	100.0
203.14320	23.0
203.17940	26.6
203.84689	3.1
205.15916	16.1
207.17488	2.9
209.13367	3.1
211.14813	7.4
212.49738	2.6
213.16331	22.2
215.14420	5.2
215.17982	11.3
217.15933	9.1
217.19443	3.2
219.13834	2.8
219.17400	6.1
221.15361	61.5
225.16469	5.3
227.18033	8.1
229.15939	4.3
229.19444	8.4
231.17406	6.2
233.15446	3.7
235.16957	10.1
237.54471	2.7
239.17941	6.4
241.19531	12.4
245.15314	6.7
247.14676	3.8
247.16924	18.7
251.17949	2.9
253.19594	3.6
267.21109	4.9
281.22528	3.6
291.21194	3.1
327.23114	5.1
387.30515	7.8
393.31482	5.0
405.31415	40.2
407.33066	17.1
421.31122	6.3
423.32574	60.7
425.34238	3.6
433.31168	15.1
439.31931	3.6
441.33890	4.0
451.32056	47.8
469.33206	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.27359	1.6
55.01857	2.8
55.05504	17.3
57.07074	4.3
59.04979	1.8
63.23538	1.6
65.03926	1.8
67.05492	22.2
69.03421	4.2
69.07063	13.9
70.27107	3.2
70.27488	8.0
79.05484	17.7
81.07052	46.5
83.04967	65.1
83.05437	3.4
83.08608	12.1
86.23746	1.5
91.05473	26.2
93.07030	41.5
93.07613	2.3
95.04952	15.5
95.05488	1.9
95.08594	67.4
96.08940	1.8
97.06503	13.0
97.10165	4.7
98.21198	2.9
99.08086	5.9
103.05437	2.5
105.07016	66.1
107.04983	1.6
107.08582	70.7
109.06521	9.6
109.10136	35.2
109.10808	2.6
111.08092	5.1
115.05418	2.8
116.06165	1.7
117.07046	7.5
119.08565	100.0
121.06532	5.2
121.10129	45.3
123.08068	10.2
123.11679	14.1
125.09663	5.1
126.07619	1.7
129.07002	5.3
130.07748	2.0
131.08554	42.7
131.09480	2.8
133.06493	2.3
133.10107	54.5
133.11035	3.1
135.08031	8.9
135.11671	26.6
135.12540	2.2
137.09621	4.1
137.13313	5.0
141.07030	1.8
142.07791	6.0
143.08530	16.2
144.09354	6.4
145.10104	60.5
147.08070	7.2
147.11674	47.3
149.09651	7.1
149.13242	23.3
151.11256	3.5
153.09125	3.7
154.31038	1.8
155.08542	4.9
156.09370	5.3
157.10117	29.0
158.10901	3.6
159.08095	2.6
159.11676	54.8
161.09608	8.2
161.13235	34.7
163.07553	4.9
163.11217	7.5
163.14801	15.1
165.09244	1.9
165.12785	2.5
167.08537	2.1
167.10660	2.1
169.10132	10.6
170.10799	2.0
171.11681	20.3
172.12294	1.9
173.09653	3.9
173.11765	2.6
173.13232	43.0
175.11267	6.2
175.14810	31.5
177.09210	4.1
177.12794	4.3
177.16350	14.5
179.14305	2.0
181.10159	3.4
183.11681	13.0
184.12495	2.0
185.09734	2.3
185.13237	29.4
187.11256	4.1
187.14793	59.0
189.12810	6.8
189.16356	21.4
191.14278	23.8
191.18021	6.6
193.12314	4.6
193.15953	1.9
195.11761	4.0
197.13226	8.9
199.11145	2.5
199.14806	28.8
201.12746	5.1
201.16344	48.5
203.14294	26.7
203.17944	12.1
205.15929	14.7
207.13933	3.1
209.13170	3.5
211.14848	10.5
213.13016	2.0
213.16336	18.4
215.14378	7.3
215.18033	5.9
217.15820	15.2
217.19524	2.9
219.13927	4.0
219.17525	6.2
221.13466	3.4
221.15286	10.7
223.14911	3.7
225.16484	6.0
227.17986	6.5
229.15993	7.7
229.19498	4.3
231.17389	7.9
233.15477	7.8
235.15015	2.4
235.16817	9.6
239.18068	7.0
241.19586	7.7
243.14000	2.2
243.17519	2.2
243.21170	1.9
245.15456	7.1
247.16919	14.7
249.14598	11.3
249.18681	4.3
251.18042	4.3
253.19574	6.3
255.21147	4.6
259.16983	4.6
265.19705	2.4
267.21170	2.9
269.22687	2.2
279.21118	2.2
285.18588	2.4
287.20197	2.4
293.22589	2.2
299.20309	3.8
305.22275	2.4
309.22095	3.5
309.25742	3.0
311.23486	3.1
317.15091	1.8
323.27548	3.4
327.23331	4.7
331.24051	2.4
333.25809	1.9
341.28708	4.9
347.27408	2.4
349.25314	2.4
353.24841	3.1
355.26239	3.3
365.28558	7.8
387.30573	5.8
393.27896	7.8
393.32178	3.6
405.31516	40.0
407.33405	3.1
411.29211	5.9
421.31146	3.6
423.32541	45.2
433.31061	14.7
439.32352	6.6
451.32092	42.4
469.19556	2.4
469.33307	66.5
469.39523	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.65651	2.1
53.03940	2.6
55.05508	13.1
57.07046	2.9
67.05496	19.7
69.03428	5.3
69.07061	18.2
70.67973	5.6
71.04982	3.4
71.08588	2.2
77.13323	2.1
79.05477	21.0
80.58784	2.2
81.06570	3.3
81.07046	60.0
83.04987	2.6
83.08615	8.2
91.05463	21.2
93.07028	46.2
95.04955	7.9
95.08590	59.4
97.06519	11.3
97.10162	4.3
99.08044	3.5
105.07022	59.8
107.08582	65.7
107.09280	4.2
109.06512	12.8
109.10128	35.6
111.08028	4.5
117.07011	8.8
119.08560	100.0
121.06486	4.3
121.10130	49.2
123.08070	5.4
123.11686	10.5
125.09632	10.6
127.07536	8.5
128.06213	3.0
129.06984	8.2
130.07726	2.7
131.08551	59.0
133.10114	59.1
135.08008	2.4
135.11652	31.7
137.13281	3.6
142.07744	5.0
143.08537	23.0
144.09329	4.8
145.10092	70.9
147.11682	33.5
149.09596	6.4
149.13287	12.9
151.11150	4.8
153.09032	3.4
155.08528	6.0
156.09332	5.1
157.10115	30.5
158.10883	3.1
159.11667	55.4
161.09499	3.5
161.13234	33.6
163.07558	2.6
163.11205	6.4
163.14792	14.4
165.12755	2.4
169.10138	8.6
170.10893	3.7
171.11664	23.2
172.12341	2.4
173.13245	62.3
175.11223	2.8
175.14795	34.2
177.12749	2.8
177.16357	13.6
179.14319	8.8
181.10103	5.1
183.11656	14.7
184.12518	2.4
185.11617	2.9
185.13229	38.5
187.14793	70.2
189.12776	3.8
189.16403	20.3
191.12602	4.7
191.14273	47.9
191.17912	5.1
193.15837	6.1
195.11649	6.4
197.13248	11.3
199.14777	34.3
201.16342	89.5
203.14307	15.3
203.17912	19.5
205.15860	24.8
209.13281	6.3
211.14789	7.6
213.16376	24.3
215.14392	3.1
215.17990	9.9
217.15891	8.7
219.13852	4.0
219.17409	15.0
221.15332	38.5
223.16898	5.4
225.16393	6.2
227.17958	8.3
229.19464	4.2
231.13789	4.8
231.17485	8.0
233.15515	5.7
233.19049	2.8
234.00748	2.4
235.16885	2.9
239.17961	7.2
245.15382	8.2
247.16959	20.3
251.17986	4.8
253.19600	4.4
259.16907	9.2
279.21124	4.2
281.22659	4.6
291.21088	2.8
295.24280	2.5
327.23148	7.0
339.23123	3.0
341.24548	3.4
387.30328	11.0
405.31476	52.3
407.32977	6.2
415.29834	4.8
421.31119	6.3
423.32513	41.0
423.37820	3.4
433.30951	28.9
441.33914	3.0
451.32062	30.7
469.33130	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03938	2.4
55.05504	14.4
57.07058	4.2
67.05494	20.4
69.03419	5.2
69.07058	14.1
70.59684	3.2
70.60118	6.0
71.04987	2.4
73.76889	1.6
77.03925	2.2
79.05486	19.3
81.07047	47.1
83.04978	2.2
83.08614	7.8
85.06516	2.1
91.05472	19.3
93.07031	45.6
95.04987	8.7
95.08594	66.7
96.32049	1.7
97.06518	12.3
97.10176	3.6
105.07017	59.3
107.08579	70.9
109.06501	13.3
109.10148	35.5
111.08085	6.7
111.11738	1.7
117.07037	7.5
119.08569	100.0
120.08855	2.3
121.06532	9.0
121.10123	51.4
123.08062	8.3
123.11666	9.2
125.09624	5.4
126.84985	1.6
128.06223	3.2
129.07004	6.4
130.07899	2.1
131.08543	39.7
133.10112	64.3
135.08087	8.7
135.11685	26.6
137.09633	3.3
137.13208	2.4
139.07510	3.0
141.07007	1.7
141.09100	2.7
142.07800	2.7
143.08531	15.8
144.09285	4.1
145.10100	65.7
147.08078	4.9
147.11667	33.7
149.09645	6.5
149.13257	16.1
151.11253	2.7
153.09120	7.2
155.08578	4.5
156.09348	6.9
157.10089	28.1
158.10898	2.2
159.08066	3.7
159.11661	49.1
161.09633	7.2
161.13228	25.9
163.11110	13.0
163.14780	18.0
165.09140	2.8
165.12691	2.7
167.10684	4.7
169.10109	8.7
170.10944	3.8
171.11670	26.1
172.12479	2.5
173.09622	4.1
173.13228	39.0
175.11232	5.8
175.14806	35.7
177.09146	4.9
177.12750	5.7
177.16341	15.1
179.10632	1.6
183.11690	12.7
184.12360	1.9
185.13264	23.5
187.11191	3.8
187.14803	69.3
189.12721	11.7
189.16373	30.8
191.14275	44.4
191.17961	7.3
193.12297	4.0
193.15816	3.3
195.11697	1.9
197.13228	9.1
199.14803	25.8
201.12723	6.0
201.16370	44.3
203.14296	13.9
203.17908	19.1
205.15884	8.4
205.19562	4.1
207.11754	2.7
207.13835	2.9
207.17555	2.3
209.13297	3.7
211.14821	9.1
213.16299	15.2
215.14320	8.5
215.17831	11.3
217.15848	20.0
217.19435	4.5
219.13817	3.3
219.17404	4.5
221.13474	3.0
221.15361	14.3
223.14899	4.3
223.16914	3.2
225.16367	6.7
227.14244	2.2
227.17949	6.9
229.15825	9.8
229.19579	5.3
231.17351	9.7
233.15463	4.9
235.16891	17.2
237.16394	5.9
239.18040	5.8
241.19432	10.4
243.17529	3.4
243.21121	3.5
245.15517	2.2
247.16891	23.6
249.18568	5.4
251.17987	3.7
253.19551	3.3
255.21024	2.8
257.19019	3.0
259.16956	2.5
261.18564	5.8
265.19568	3.4
267.21091	2.7
269.22638	2.0
273.18564	4.6
275.20154	3.6
279.20993	2.9
281.22702	2.7
283.20584	2.2
285.18564	2.1
291.20987	4.2
299.20224	2.6
309.22159	4.8
315.23340	2.8
317.22650	2.4
321.25806	3.7
327.23334	7.3
341.24841	1.8
347.27255	2.8
353.24814	3.0
355.26434	1.8
365.28500	5.4
367.26196	2.1
375.30493	2.4
377.32349	2.7
387.30542	9.2
393.31769	10.0
405.31519	46.1
407.33118	7.2
411.28802	2.9
421.31079	8.9
423.32541	64.5
433.31046	19.1
439.31964	9.8
451.32056	50.9
469.33188	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	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.01587	1.4
55.05505	16.3
57.07057	1.8
59.05000	1.8
61.02928	2.3
65.03939	1.8
67.05499	20.1
69.03419	3.1
69.07064	15.6
71.05003	2.1
72.80583	1.3
76.40497	1.6
77.03917	2.0
79.05476	18.6
81.07045	32.8
83.04964	3.8
83.08609	15.8
84.80729	1.4
85.02895	1.8
85.06532	1.9
91.05477	21.9
93.07029	40.4
94.24431	1.4
95.04962	6.0
95.08597	60.0
97.02869	1.6
97.06509	23.2
97.10178	3.8
98.21096	8.3
99.08089	8.1
103.05489	2.0
105.07018	49.7
107.08577	64.7
109.06522	10.7
109.10139	34.3
109.37340	1.4
111.08083	7.6
117.07001	7.3
119.08565	100.0
121.06513	5.4
121.10126	47.4
123.08083	9.4
123.08817	1.8
123.11678	10.0
125.09608	8.7
128.06250	2.8
129.07022	6.3
130.07774	3.6
131.08549	41.6
133.10112	58.6
133.14903	1.5
133.22412	1.5
135.08067	5.5
135.11676	26.2
137.09639	4.5
137.13246	2.3
139.07539	1.8
141.07010	1.6
142.07796	3.4
143.08536	17.9
144.09340	3.1
145.10101	68.0
147.08008	2.2
147.11670	31.7
149.09583	9.2
149.13208	15.9
151.11238	4.5
153.09070	3.6
155.08551	6.7
156.09299	3.7
157.10120	28.7
158.10881	5.1
159.11667	53.6
160.12288	1.6
161.09631	6.5
161.13232	32.2
163.07562	2.8
163.11139	14.8
163.14781	14.8
165.12801	3.5
167.10707	2.5
169.10092	10.8
170.10925	4.5
171.11676	20.2
172.12408	2.2
173.09583	2.0
173.13240	56.1
175.11266	3.3
175.14812	33.4
177.09117	3.4
177.12784	5.8
177.16374	17.0
177.17812	2.1
179.14314	2.3
181.10114	3.7
182.10979	2.9
183.11690	11.3
184.12518	2.2
185.13235	26.8
186.14059	2.6
187.14796	72.1
189.12779	3.3
189.16396	18.5
191.14317	14.3
191.17934	8.2
193.15894	3.3
195.11723	5.5
195.13754	1.8
197.13237	12.6
199.14793	33.3
201.12683	2.9
201.16354	69.6
203.14294	12.2
203.17938	15.1
205.15805	9.1
207.17511	2.0
209.13319	5.5
211.14766	10.1
213.16360	23.4
215.14555	3.9
215.17949	11.3
217.15849	11.6
219.13841	2.1
219.17326	9.9
221.15434	6.8
223.14903	4.5
223.16925	3.1
225.16422	6.4
227.17828	8.2
229.15919	5.4
229.19571	4.7
231.17531	6.2
233.15431	2.5
235.16991	6.7
237.16476	3.8
239.18015	5.8
241.19562	5.7
243.17548	2.9
245.15456	5.6
247.16885	9.8
249.14857	4.3
251.17989	2.3
253.19540	4.2
255.21164	3.0
257.19110	1.7
259.16922	3.9
261.18530	4.4
267.20996	1.8
269.22635	1.9
273.18558	2.4
277.19394	2.2
279.21115	3.3
281.22604	2.1
285.18646	2.4
293.22702	2.9
299.20166	2.4
299.41965	1.5
307.24438	3.2
309.22171	2.2
320.14868	1.7
327.23383	2.9
333.25607	2.0
339.05005	2.1
347.27313	3.4
349.25375	1.9
353.24850	3.0
365.28494	11.4
387.30469	10.3
393.27994	6.7
405.31467	54.4
407.32916	7.6
411.28973	10.7
423.32504	60.5
424.33258	1.7
425.34317	6.3
433.31015	17.4
441.33640	4.6
451.32053	30.6
469.14893	2.0
469.33240	51.2
469.39572	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	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03956	1.8
55.05507	9.0
57.07063	3.5
67.05495	14.6
69.03432	3.9
69.07058	17.2
69.31020	1.7
69.67582	13.2
71.04955	4.2
77.03933	2.2
79.05479	14.1
81.07041	35.8
83.04951	3.1
83.08604	5.0
85.02899	4.2
85.06541	2.7
91.05463	21.4
93.07034	34.2
95.04944	8.9
95.08595	49.5
97.06518	4.9
97.10161	2.6
99.08078	2.2
105.07015	56.5
106.07355	2.6
107.08575	49.7
107.11050	1.7
109.06485	4.5
109.10136	23.9
111.08070	3.1
116.98628	2.4
117.06996	9.9
119.08572	72.2
121.06487	7.1
121.10122	29.3
123.04390	2.0
123.08048	8.6
123.11678	6.1
124.99983	1.7
125.09622	2.2
127.03900	2.9
128.06190	2.0
129.06995	4.4
130.07747	2.5
131.08554	50.9
133.10110	48.8
135.08026	7.8
135.11699	15.0
137.05940	2.2
137.09583	3.0
137.13257	3.5
139.07585	2.0
141.06941	2.4
142.07780	3.1
143.08534	15.6
144.09296	4.1
145.10104	59.0
145.81970	1.8
147.08015	4.6
147.11670	33.8
149.09642	5.7
149.13269	12.9
153.09108	2.0
155.08572	4.7
156.09370	3.8
157.10097	19.8
158.10855	3.2
159.08054	4.1
159.11667	42.0
161.09607	6.7
161.13248	21.4
163.11139	5.6
163.14804	22.6
165.12749	4.0
167.10661	3.8
169.10126	5.9
170.10909	5.3
171.11667	14.0
173.09628	2.6
173.13248	69.1
175.11154	7.5
175.14806	37.4
176.11818	2.2
177.12781	2.7
177.16403	11.7
179.10663	3.1
183.11720	4.9
185.13237	19.3
187.14799	51.2
187.16437	3.7
189.12698	6.0
189.16341	23.1
191.14296	61.2
191.17842	8.2
193.12280	5.7
193.15892	3.2
197.13199	5.8
199.14792	12.2
201.12782	3.6
201.16357	100.0
203.14308	27.7
203.17912	36.7
205.15889	14.7
205.19417	2.1
209.13228	3.2
211.14786	4.4
213.16373	13.2
215.14268	4.7
215.17892	6.4
217.15884	7.4
217.19386	3.0
219.17445	5.9
221.15346	62.7
223.16905	2.3
225.16342	3.4
227.17963	4.7
229.15804	4.6
229.19543	5.7
231.17491	4.3
231.21178	1.8
233.15358	3.0
235.16908	4.7
239.18005	3.7
241.19505	3.0
243.20973	3.0
245.15434	1.9
247.16934	27.4
249.14885	2.7
249.18376	2.0
255.21165	2.1
281.22681	1.9
297.42447	1.8
307.15112	6.2
375.30359	2.7
387.30466	4.9
393.31415	4.8
395.32849	3.1
405.31433	22.0
406.31641	2.1
407.32974	7.0
421.31128	3.5
423.32541	47.1
425.34003	5.2
433.30652	6.2
439.31870	7.6
451.32187	20.5
469.19470	11.2
469.33325	42.3
484.89008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05494	8.9
56.34910	2.2
57.07058	2.4
67.05503	16.4
69.03419	3.5
69.07059	9.6
69.31519	20.2
74.09256	1.8
79.05468	18.0
81.07049	30.6
83.04963	5.4
83.08602	6.0
85.06504	2.4
90.94167	2.4
91.05460	19.4
93.07030	36.9
95.04958	6.9
95.08588	44.7
97.06499	10.5
97.10143	1.9
98.20818	5.2
99.08070	7.0
105.07011	59.1
107.08578	49.7
109.06483	6.1
109.10132	25.3
111.08047	4.7
117.07013	5.5
117.99680	2.1
119.08564	85.2
121.06454	5.2
121.10131	35.0
123.08043	5.7
123.11689	8.8
125.09558	3.2
129.06976	3.8
130.07764	2.0
131.08545	50.8
133.10120	48.3
135.07993	3.9
135.11667	19.3
137.09615	5.4
137.13205	2.8
142.07784	3.7
143.08551	16.1
144.09329	3.5
145.10101	59.1
147.08008	3.9
147.11668	49.0
149.09593	6.4
149.13252	12.3
155.08543	3.9
156.09364	3.9
157.10112	24.5
158.10904	4.0
159.11661	44.6
161.09604	5.4
161.13222	23.9
163.11130	6.4
163.14825	12.0
167.10805	2.1
169.10117	5.4
170.10880	3.0
171.11649	18.1
173.09685	2.4
173.13243	62.4
175.11179	4.2
175.14803	41.0
177.12680	5.0
177.16370	10.2
179.14285	2.2
181.10112	3.5
183.11679	8.0
185.13242	18.8
186.14043	3.7
187.14798	63.1
189.12741	4.6
189.16347	12.4
191.10548	2.3
191.14278	65.2
193.12274	3.9
193.15852	3.3
197.13214	7.2
199.14771	24.0
201.16338	100.0
203.14282	19.1
203.17949	16.9
205.15865	14.1
209.13237	3.0
211.14816	7.0
213.16336	16.7
215.14377	2.5
215.17964	6.9
217.15816	5.1
219.13873	3.0
219.17351	9.0
221.15335	39.6
223.14853	2.3
225.16257	5.1
227.17928	6.4
229.15855	6.9
229.19493	5.2
231.17390	4.9
233.15334	3.3
235.16879	2.6
237.16599	2.5
239.17905	3.0
241.19493	5.3
245.15363	4.5
247.16904	14.7
251.17996	3.6
253.19414	3.5
255.21103	2.3
259.16818	2.7
267.21036	2.2
277.19446	2.3
281.22540	3.1
365.28580	2.2
375.30148	2.4
387.30365	6.1
393.31705	2.3
405.31470	31.5
407.32986	3.9
411.32455	3.0
421.30856	5.5
423.27332	3.5
423.32547	42.0
424.32938	2.1
425.34570	2.9
433.30640	11.5
439.32071	4.6
439.37677	2.2
451.32059	25.9
469.20883	2.4
469.33167	47.9
470.33578	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05508	22.4
57.03432	3.8
57.07045	2.6
59.28241	2.6
61.60900	2.6
67.05499	28.7
69.03413	7.7
69.07059	23.9
70.75423	8.5
78.37364	2.5
79.05484	33.8
81.07048	82.5
83.04969	9.6
83.08601	12.1
85.06577	2.8
91.05470	29.4
93.07037	45.1
95.04940	8.0
95.08597	72.4
97.06512	43.4
97.10175	3.6
99.08081	8.6
101.65211	3.1
105.07016	49.6
105.07673	5.0
107.08581	74.7
109.06509	22.3
109.10144	50.0
111.08061	7.8
117.06981	13.1
119.08569	100.0
121.06476	3.8
121.10127	64.9
123.08047	10.8
123.11687	19.5
125.05972	4.7
125.09600	24.0
127.07536	16.8
128.06206	3.6
129.06984	10.6
131.08545	46.3
133.10121	61.6
134.98151	16.3
135.08040	5.7
135.11658	30.2
137.09628	4.8
137.13193	3.3
139.50584	2.5
142.07802	8.2
143.08549	33.7
144.09290	4.6
145.10100	69.7
147.07968	3.8
147.11674	41.3
149.09641	13.1
149.13235	17.8
151.11153	6.7
155.08499	9.5
156.09314	6.8
157.10097	35.7
158.10825	3.4
159.11673	60.4
161.09511	3.7
161.13239	47.3
163.11176	7.5
163.14804	14.5
165.12666	4.2
167.08604	3.3
167.10641	3.3
169.10060	15.1
170.10855	9.2
171.11679	32.6
173.13231	35.7
175.11179	5.4
175.14801	31.6
177.12793	6.0
177.16350	8.8
179.14310	3.0
181.10077	4.2
182.10861	4.2
183.11658	16.3
184.12575	2.5
185.13225	88.3
187.11121	3.3
187.14801	62.8
189.12697	3.8
189.16293	19.0
191.17957	5.9
193.10112	3.8
193.15794	3.2
195.11693	10.9
197.13243	18.8
199.14777	49.0
201.16371	45.4
203.17874	6.7
205.15857	11.3
209.13249	8.0
211.14795	12.5
213.12726	3.9
213.16385	28.2
215.14215	6.3
215.17937	13.7
217.15863	10.0
219.13828	4.4
219.17407	14.5
223.14737	6.5
225.16377	7.2
227.17873	10.8
229.15846	3.3
231.13786	5.4
231.17393	7.8
233.15297	15.5
239.17883	6.5
245.15416	13.9
247.16963	3.6
251.17999	4.9
253.19479	6.4
259.16895	6.3
265.19641	4.4
267.21042	6.1
271.16830	3.1
277.19373	5.5
279.20853	3.9
281.22516	5.6
285.18317	3.4
286.20886	2.8
291.20874	4.6
293.22589	6.5
305.22415	3.8
307.24240	4.2
309.22034	3.7
317.22586	3.4
325.21552	4.3
327.22964	4.9
335.25702	5.8
347.27209	4.7
353.24893	3.9
357.23746	5.2
387.30289	10.8
393.27744	18.1
405.31461	76.8
407.33252	7.4
415.29880	9.6
423.32700	19.8
433.30975	39.6
451.32010	29.4
469.23355	18.0
469.33194	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.48866	1.5
55.01856	1.7
55.05503	10.8
56.22587	1.3
56.96563	2.4
57.03421	2.0
57.07061	2.1
59.04984	2.4
65.03926	2.1
67.05492	19.7
69.03407	6.9
69.07058	17.0
70.06598	1.7
71.04974	3.5
71.08591	1.9
71.13686	3.8
75.55267	1.2
75.55764	1.3
79.05476	17.3
80.52575	1.2
81.03409	2.5
81.07043	45.8
83.04965	6.5
83.08636	7.2
83.09029	1.3
85.02899	7.3
85.06518	3.8
91.05464	24.2
93.07028	43.5
95.04948	12.6
95.08593	52.4
97.02910	2.7
97.06539	8.6
97.10157	2.9
98.97572	2.0
99.08112	3.6
103.05429	2.0
105.07009	74.7
107.08578	58.4
107.09138	1.0
109.06514	8.9
109.10135	29.2
111.08067	7.0
111.11687	2.0
115.05383	1.6
116.98577	2.4
117.06995	10.8
119.08564	78.8
121.06489	6.4
121.10119	38.3
122.23912	1.2
123.04441	2.7
123.08056	7.5
123.11684	10.7
125.09586	4.2
127.03880	1.7
128.06223	2.7
129.06953	6.7
130.07764	1.9
131.08546	54.5
133.06468	2.2
133.10109	54.4
135.07985	7.7
135.11668	19.6
137.05920	2.0
137.09592	5.7
137.13245	3.1
141.06943	1.8
142.07747	4.8
143.08540	13.3
144.09340	4.2
145.10098	68.0
147.07980	6.6
147.11658	33.2
149.09592	8.2
149.13242	14.6
151.07558	2.1
151.11148	2.3
153.09122	1.8
155.08531	4.1
156.09334	5.5
157.10115	21.1
158.10855	4.8
159.08086	2.2
159.11670	48.9
159.13004	2.7
161.09613	10.5
161.13226	26.3
162.10338	1.4
163.11177	9.6
163.14795	26.8
165.09079	1.7
165.12787	3.4
167.10687	3.4
169.10068	7.6
170.10886	4.5
171.08064	1.6
171.11661	15.4
172.12431	2.2
173.09700	3.0
173.13237	80.6
174.13695	1.8
175.11230	7.4
175.14799	43.7
176.11887	2.2
177.00601	1.6
177.09148	2.1
177.12695	5.3
177.16357	17.1
179.10658	3.4
179.14299	3.1
181.10056	2.3
183.11674	9.1
184.12463	1.7
185.13235	21.6
187.11307	3.1
187.14801	68.8
189.12779	6.4
189.16350	30.7
191.14276	67.5
191.17943	8.6
193.12276	6.5
193.15880	4.6
195.11649	2.9
197.13243	5.3
199.11246	1.7
199.14836	17.6
201.12675	4.9
201.16353	100.0
203.14278	35.2
203.17911	44.7
205.15874	12.1
205.19435	1.8
207.11818	1.8
207.13722	3.0
207.17336	1.9
211.14754	4.6
213.12685	1.6
213.16333	15.0
215.14253	5.6
215.17859	7.4
217.15871	9.2
217.19336	2.1
219.01866	2.1
219.13791	2.1
219.17401	6.9
221.15327	73.5
223.14879	2.4
223.16837	2.7
225.16333	4.7
227.17938	6.5
229.15776	4.8
229.19487	5.3
231.13719	2.1
231.17410	5.8
233.02701	1.4
233.15247	3.3
235.14816	1.8
235.16899	6.3
237.02702	3.5
237.16469	1.8
239.18004	3.8
241.19383	3.1
243.17398	3.5
245.15471	3.1
247.16885	26.4
249.14761	2.4
249.18488	3.3
251.17886	2.2
253.19533	3.9
259.16888	2.2
265.19461	2.2
271.07553	5.9
271.57629	1.9
279.03827	6.3
307.15106	3.8
307.18573	1.4
375.30261	2.3
387.30350	5.2
393.31284	4.1
395.33157	2.5
405.31503	23.2
407.33032	5.3
421.30881	4.3
423.32547	49.2
424.33005	1.9
425.34363	8.4
433.31192	7.7
439.32050	5.8
441.33710	1.6
448.18356	10.0
448.68515	6.1
451.32193	19.8
468.69696	2.4
469.19424	11.4
469.33566	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	471.0892
Annotation	Tjipanazole A1
Peak:m/z	Relative Intensity
55.05524	0.3
57.03403	0.4
59.04986	0.4
61.02912	0.4
65.42699	0.3
69.03413	0.8
71.61416	0.4
71.61787	0.4
81.03419	0.5
81.07034	1.0
85.02882	1.2
85.06536	0.4
91.05464	0.4
93.07030	0.5
95.04974	0.4
95.08601	0.8
97.02882	0.6
105.06989	0.6
107.08590	0.4
119.08620	0.8
121.10138	0.7
123.08040	0.3
127.03908	0.6
131.08571	0.3
135.08055	0.4
137.05965	0.8
145.10081	0.7
147.04353	0.4
151.07542	0.6
165.88414	0.3
169.10069	0.3
173.13185	0.3
175.11102	0.3
185.04207	5.1
185.13310	0.4
189.12801	0.3
193.04997	0.4
207.13687	0.4
308.02829	5.9
309.03653	10.1
310.07144	0.3
330.83215	0.3
345.04541	0.5
470.32864	0.4
471.08929	100.0
472.09207	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	471.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
58.27060	0.3
60.13727	0.3
67.05463	0.4
68.99531	0.4
69.03419	0.5
70.06582	0.4
79.05483	0.5
83.01089	0.9
83.04982	0.3
83.08596	0.6
84.01849	0.4
85.02882	1.0
85.07669	0.5
86.09686	0.4
91.05462	0.8
93.07057	0.7
95.01072	1.6
95.08579	0.6
95.62256	0.4
96.01854	0.7
97.02901	0.4
98.20685	0.6
100.11234	2.2
101.00860	0.5
105.06980	0.8
107.08572	1.5
109.13412	0.3
111.00519	0.4
111.04460	0.6
112.01329	0.9
113.02120	2.2
119.01890	2.4
119.05007	0.5
119.08576	0.8
121.10129	1.1
123.04424	1.1
131.08534	0.6
133.10110	1.1
135.08109	0.4
135.11710	0.4
137.02275	0.4
137.05981	0.4
139.03850	2.0
143.01860	2.2
143.08549	0.4
147.04352	0.6
147.11676	0.7
155.01788	0.4
157.04677	0.6
161.02940	8.8
163.03888	0.4
171.11656	0.4
173.02945	0.6
173.13251	1.0
175.14786	0.4
179.04095	0.4
181.04942	1.0
182.15422	0.5
184.04616	0.8
185.04230	3.3
189.05260	1.1
191.03496	0.7
191.14342	1.1
201.03644	1.2
203.03897	3.4
210.14888	0.7
218.41924	0.4
219.06316	2.0
221.04922	0.8
234.08606	14.8
235.09412	0.6
259.07840	2.0
263.06113	2.4
271.10138	0.3
273.13272	0.6
277.10425	1.5
291.08694	0.7
291.14407	4.6
291.19559	0.4
301.07230	0.3
303.14316	0.5
305.53021	0.3
309.15482	6.5
319.08240	0.4
332.16998	0.8
351.16583	1.1
354.14874	0.3
411.18524	1.4
429.19620	0.4
440.16382	0.6
441.17200	2.5
471.18314	100.0
471.35425	3.2
472.18448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05500	2.9
57.03410	0.8
57.07048	1.2
67.05224	0.4
67.05496	4.4
69.03403	1.3
69.07059	4.3
70.17148	1.3
71.04969	0.8
79.05482	3.2
81.07053	10.0
83.04966	1.3
83.08619	1.8
85.02888	1.6
85.06535	0.8
91.05457	4.2
93.06463	0.5
93.07031	7.9
95.04964	1.6
95.08598	9.7
97.02832	0.7
97.06499	2.1
97.10155	0.6
98.20824	0.6
99.08067	0.4
101.93817	0.4
105.07022	11.8
105.07747	0.6
105.16903	0.3
107.08581	9.4
108.08067	0.4
109.02894	0.4
109.06503	2.3
109.10144	5.4
111.08060	1.6
117.06991	1.5
119.08566	15.4
121.06478	2.0
121.10133	6.3
123.04421	0.6
123.08046	1.9
123.11710	1.9
125.09602	2.0
127.03808	0.5
128.06183	0.8
129.06982	1.5
130.07748	0.5
131.08554	12.6
133.10114	12.1
135.08064	1.8
135.11693	4.0
137.05930	0.6
137.09628	2.1
137.13239	0.6
139.03949	0.3
141.06979	0.7
142.07764	1.4
143.08540	5.4
144.09335	0.8
145.06519	0.4
145.10095	10.4
147.04372	0.4
147.08015	2.1
147.11673	8.5
149.05891	0.4
149.09618	1.8
149.13268	2.1
151.03918	0.4
151.07535	0.4
151.11192	0.7
155.08540	1.0
156.09358	1.9
157.10104	5.3
158.10915	1.2
159.08032	0.8
159.11678	9.2
161.09593	1.5
161.13254	7.1
163.07567	0.4
163.11165	2.3
163.14777	2.2
165.09065	0.9
165.12718	0.5
167.10664	0.6
168.09344	0.5
169.10141	2.0
170.10843	0.9
171.11667	5.6
173.09605	0.9
173.13237	11.1
175.11208	2.1
175.14813	5.0
177.12729	1.3
177.16367	1.9
179.14273	0.7
183.11684	2.4
185.02884	0.5
185.09572	0.5
185.13242	5.6
187.11168	1.6
187.14798	8.8
189.12726	3.9
189.16362	2.3
191.14273	5.8
191.17889	0.4
193.12317	0.8
193.15863	0.7
195.11768	0.7
195.13708	0.5
197.13251	1.5
199.11137	0.7
199.14815	4.0
201.12735	1.5
201.16330	5.8
203.03972	0.5
203.14297	6.6
203.17940	1.6
205.12302	0.5
205.15874	5.8
206.04440	0.5
207.11844	0.4
207.13760	0.8
207.17337	0.5
209.13254	0.7
211.14810	1.3
213.12720	0.8
213.16324	2.1
215.14218	1.9
215.17931	1.0
217.12228	9.3
217.15846	1.3
219.13834	0.6
219.17444	1.5
221.13321	0.4
221.15309	6.2
223.14752	1.1
223.16809	0.7
225.16310	0.4
227.17781	0.7
229.15834	0.8
231.13783	1.6
231.17485	0.9
233.15369	1.5
235.13225	0.8
241.15733	0.4
247.13310	0.6
249.14803	0.9
253.16124	0.4
261.14703	0.6
273.18622	0.5
291.26752	1.4
302.10107	0.4
309.27921	0.8
311.20154	0.5
311.60828	0.4
317.22467	0.5
333.07846	2.4
335.09445	5.7
339.17706	0.4
341.11136	1.3
377.28345	0.8
389.28387	1.9
395.29324	1.5
405.27933	0.7
407.28860	4.2
407.33777	0.9
409.31238	0.4
417.27759	1.2
423.28888	2.3
425.30124	4.2
435.28546	5.0
441.29758	0.7
453.29697	5.5
471.21933	100.0
471.30914	11.6
472.22354	3.4
499.02441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3099
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
53.03948	0.3
55.05502	1.7
57.03424	0.4
57.07044	0.5
67.05496	2.8
69.03426	3.4
69.07050	1.6
70.21851	1.7
79.05495	2.9
81.03416	0.4
81.07045	4.6
82.31228	0.3
83.04970	1.2
83.08604	1.1
85.02931	0.4
91.05463	4.3
93.07030	4.5
95.04971	2.1
95.08595	7.3
97.06530	0.9
99.04438	1.1
105.07023	6.7
107.04950	1.0
107.07866	0.5
107.08585	5.4
108.72672	0.3
109.06514	1.9
109.10136	3.5
111.04425	0.7
111.07993	0.5
115.05428	0.6
116.06284	0.3
117.07000	1.8
119.08563	8.9
121.06494	2.3
121.10133	3.3
123.08057	1.3
123.11707	0.8
125.09647	0.5
128.06215	1.0
129.06995	1.5
131.08531	4.4
133.06470	5.3
133.10106	5.3
135.08037	24.4
135.11668	1.5
137.05972	0.4
137.09592	0.9
141.06966	0.8
142.07780	1.1
143.08530	3.3
145.06425	0.6
145.10115	4.8
146.07234	0.4
147.08035	4.7
147.11693	3.0
149.09596	2.9
149.13211	1.0
151.11098	0.8
153.09036	0.5
155.08549	1.1
156.09354	1.0
157.10127	3.6
159.08044	1.2
159.11685	3.7
161.09598	7.2
161.13252	1.9
163.11172	1.3
163.14819	0.6
165.09192	0.4
167.08556	0.5
168.09309	0.5
169.10153	1.1
170.10966	0.8
171.08124	0.5
171.11642	3.0
172.08931	0.4
173.02338	0.4
173.09636	1.3
173.13264	2.9
175.11162	7.3
175.14787	1.1
177.12743	0.7
181.10158	0.7
183.11705	1.4
185.09514	0.7
185.13220	2.1
187.11180	1.5
187.14821	1.4
189.12709	3.5
189.16379	1.1
191.14297	0.9
193.12172	0.6
195.11682	0.9
197.13287	1.2
199.11205	1.0
199.14801	1.4
201.12769	1.4
201.16405	1.1
202.68732	0.3
203.14285	14.4
205.15875	0.8
207.11661	0.6
209.13324	0.5
211.11102	0.5
211.14847	0.6
213.12711	0.6
213.16360	0.5
215.14320	0.9
215.18007	0.6
217.15858	4.9
219.13736	3.1
225.12831	0.5
225.16406	0.5
227.14284	0.8
227.17709	0.4
229.15871	0.5
233.15353	0.7
239.14281	0.4
241.19495	0.6
243.17429	0.6
245.15315	0.6
247.16904	0.4
251.18056	0.5
255.17444	0.6
265.12808	0.4
267.17258	0.4
269.11453	0.4
287.20062	0.4
291.19620	0.8
337.25165	0.6
358.24500	0.4
399.26874	0.4
405.27655	0.5
407.33179	0.5
417.28085	1.2
423.28726	1.5
435.21808	0.7
435.28845	1.8
441.29837	2.4
453.29745	4.2
471.30994	100.0
472.31323	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	471.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
55.01861	2.7
55.05505	9.6
56.80251	1.5
57.07060	3.0
57.70277	1.6
59.04975	2.4
65.03927	2.6
67.05497	18.1
69.03426	9.6
69.07059	13.4
70.06582	2.4
70.60587	5.5
70.60923	1.5
71.04977	5.2
79.05486	21.0
81.03397	6.5
81.07050	42.4
83.04965	7.0
83.08615	8.1
85.02908	8.1
85.06508	3.9
91.05466	31.2
93.07029	38.8
95.04963	8.1
95.08600	45.4
97.02889	5.7
97.06532	7.9
97.10120	3.9
98.98450	17.5
99.04423	1.8
99.08080	5.5
103.05463	2.7
105.07018	66.1
107.04944	4.4
107.08585	48.7
109.06523	12.2
109.10134	18.9
111.08072	7.4
115.05424	3.1
117.06993	20.1
119.04980	1.8
119.08566	100.0
121.06499	10.2
121.10123	31.4
123.08027	8.1
123.11696	5.9
125.05967	3.1
125.09653	3.5
127.03901	3.6
127.07516	2.0
128.06216	6.1
129.07004	11.0
130.07748	4.4
131.08557	42.0
133.06500	3.0
133.10115	43.0
135.08047	5.6
135.11678	14.5
137.05934	2.8
137.09608	6.4
137.13255	2.0
139.07530	2.6
141.07024	4.7
142.07756	8.5
143.08525	25.5
144.09300	2.5
145.06479	3.3
145.10106	71.5
147.04425	2.7
147.08055	9.8
147.11674	25.8
149.09598	6.3
149.13248	20.1
151.07523	5.0
153.09113	2.6
155.08551	10.0
156.09338	11.1
157.10112	43.2
158.10864	4.4
159.08080	4.0
159.11676	53.0
161.09639	12.6
161.13245	39.0
163.07535	6.9
163.11159	7.1
163.14810	10.7
165.09116	5.2
165.12662	1.9
167.08493	2.1
168.09326	2.9
169.10126	12.3
170.10904	9.7
171.11668	28.0
173.09605	5.5
173.13243	44.2
174.13580	2.2
174.99181	2.5
175.07535	1.7
175.11230	7.9
175.14832	22.6
177.09081	3.4
177.12720	29.1
177.16318	2.8
179.08588	2.2
179.10478	1.8
179.14255	1.8
180.09479	2.0
181.10086	4.2
182.10950	1.7
183.11652	17.3
184.12439	2.1
185.09581	3.2
185.13231	42.5
187.11153	7.1
187.14809	38.0
189.09174	3.1
189.12752	31.0
189.16364	14.8
191.14296	15.1
193.10191	2.0
193.12032	1.9
195.11607	5.0
197.13205	10.9
199.11180	6.0
199.14799	45.9
201.12733	8.6
201.16380	32.4
203.10661	2.4
203.14287	18.9
203.17847	2.6
205.12234	2.5
205.15805	10.1
207.11845	2.8
207.13736	26.1
209.13246	5.1
209.15195	2.8
211.14803	6.9
213.12616	3.6
213.16382	11.1
215.14314	9.6
215.17909	4.7
217.12271	3.7
217.15887	11.2
219.13779	7.5
221.13411	3.2
221.15376	5.1
223.14854	2.3
225.16357	4.6
227.14272	4.6
227.17924	5.2
229.15887	1.6
230.66524	2.2
231.13763	5.2
231.17244	1.8
233.13345	2.0
233.15288	8.4
235.16862	2.2
239.18105	2.4
241.19540	1.8
243.13649	1.6
245.15381	9.7
245.18919	2.0
247.16960	3.3
251.00150	2.4
251.17958	3.0
253.19438	3.3
257.18939	2.2
265.19406	2.2
267.09042	2.9
267.17532	2.2
267.20923	2.4
269.18887	2.1
283.20770	1.7
285.10022	5.6
303.21246	1.8
317.12723	3.3
317.22595	2.0
361.28943	2.0
371.27371	3.3
389.28427	16.0
391.30032	5.9
398.95697	1.7
405.27872	4.0
407.28906	17.4
407.33987	2.7
409.31079	4.4
417.27753	9.3
423.28830	4.3
425.30371	7.3
427.32025	6.1
435.28821	31.6
453.29800	28.6
471.20828	26.2
471.30942	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01864	3.7
55.05506	12.1
57.03423	3.8
57.07066	4.5
62.91341	1.9
67.05499	18.6
69.03412	9.0
69.07065	17.2
70.06564	2.5
71.04987	3.3
71.61060	3.3
72.73621	1.8
73.02924	2.5
79.05487	23.8
81.03418	5.7
81.07050	38.7
83.04962	8.7
83.08604	9.9
84.08179	2.1
85.02903	6.6
85.06524	3.9
86.09692	3.0
86.30118	2.0
88.83480	2.2
91.04952	2.9
91.05474	32.6
93.07032	42.0
95.04975	12.2
95.08599	42.9
97.02893	7.5
97.06517	6.4
98.98460	16.3
99.04453	2.2
99.08073	6.8
105.07018	67.5
107.04920	6.6
107.08587	50.5
109.02852	3.2
109.06511	9.4
109.10156	24.4
111.04449	2.5
111.08060	5.3
115.05460	4.1
116.06208	2.2
116.98635	2.8
117.06998	19.8
119.04861	2.9
119.08570	100.0
121.06509	8.4
121.10132	31.6
123.04408	2.3
123.08063	8.2
123.11697	9.7
125.06043	2.4
127.03931	2.8
128.06253	4.1
128.77110	2.3
129.06963	13.0
130.07771	2.7
131.08556	45.0
133.06453	2.6
133.09213	4.1
133.10129	44.2
133.11072	4.6
135.08051	9.4
135.11652	15.8
137.05995	4.7
137.09608	6.4
139.03868	2.8
139.11176	2.4
142.07777	7.4
143.08549	31.8
144.09286	4.5
145.06519	3.7
145.10103	68.3
147.04378	3.6
147.08070	11.4
147.11668	31.0
149.05875	2.2
149.09616	9.9
149.13254	16.4
151.07590	2.6
151.11131	4.6
155.08511	8.1
156.09276	11.5
157.10121	38.7
158.10909	3.7
159.08035	5.5
159.11679	60.9
161.09630	12.6
161.13245	45.9
163.03893	2.3
163.07509	6.3
163.11172	6.3
163.14790	10.7
165.09116	5.7
168.09361	2.8
169.04926	2.4
169.10182	11.0
170.10869	8.8
171.07973	3.1
171.11681	26.7
173.09619	6.1
173.13257	48.0
174.99168	3.1
175.11200	6.6
175.14806	22.6
177.09221	2.8
177.12714	27.4
177.16216	3.9
181.10136	4.8
182.10832	2.8
183.11697	22.8
185.13268	42.4
187.11192	7.2
187.14798	36.9
189.09052	2.8
189.12744	38.9
189.16347	17.0
191.14262	19.3
193.10120	2.8
194.10945	2.6
195.11713	3.9
197.13269	12.0
199.11151	5.8
199.14792	44.6
201.12749	9.7
201.16377	35.3
203.10597	2.5
203.14334	16.8
203.17998	5.0
205.12172	3.4
205.15852	9.0
207.11835	3.8
207.13800	28.5
209.13229	4.7
209.15276	3.2
211.11179	2.2
211.14836	7.4
213.12746	4.7
213.16360	9.2
215.14255	8.6
215.17923	4.8
217.15845	8.7
219.13774	5.9
219.17554	2.2
221.15372	7.3
223.14693	3.6
225.16396	4.2
227.14250	3.0
227.17932	8.1
229.15799	4.7
229.19585	2.8
231.13728	3.5
231.17526	2.8
233.15396	8.6
235.14827	3.9
239.18044	4.5
245.15450	11.2
247.16975	5.8
253.19633	3.4
259.17007	2.8
267.08994	5.2
267.20993	4.0
285.10089	7.4
299.11792	3.3
317.12695	3.8
332.11389	2.9
371.27567	3.5
373.28839	3.2
377.28482	3.2
389.28320	20.8
391.29840	8.8
405.27731	5.4
407.29041	13.5
417.27820	9.6
423.28943	5.5
425.30423	9.0
427.31952	4.8
435.28769	35.7
453.29785	30.3
471.21820	59.8
471.31046	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	471.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01868	0.9
55.05508	4.8
55.11942	0.6
56.96544	0.8
57.03419	1.9
57.07058	1.7
65.69375	0.5
67.05501	5.7
69.03419	3.2
69.07060	7.0
70.00201	2.4
71.04992	0.9
71.08614	0.8
72.21835	0.5
79.05477	6.2
81.03403	1.2
81.07050	15.5
82.07374	0.6
83.04955	2.3
83.08612	2.4
84.60928	0.5
85.02886	2.1
85.06522	1.8
87.04416	0.7
88.02590	0.5
91.05474	9.3
93.07040	13.6
95.04951	2.4
95.08031	1.1
95.08598	16.1
96.08158	0.6
97.02873	1.1
97.06517	3.3
97.10168	1.0
99.08083	1.6
101.89127	0.6
103.05461	0.9
105.07019	25.1
105.12577	0.5
107.04898	1.0
107.08582	18.4
109.06499	4.0
109.10152	9.2
111.08084	2.7
115.01492	0.6
115.05424	0.8
117.07011	3.8
119.08569	28.2
120.08918	0.6
121.06493	5.1
121.10135	13.0
123.04394	0.7
123.08076	3.2
123.11671	3.2
125.09614	2.6
128.06227	1.5
129.06984	2.7
130.07745	0.6
131.07562	1.2
131.08553	22.1
133.06448	1.0
133.10121	17.5
135.08041	3.1
135.11664	7.7
135.35980	0.5
137.09579	3.0
137.13222	1.1
139.03860	1.0
139.07487	0.7
142.07776	2.2
143.08527	9.4
144.09297	1.8
145.10107	18.2
147.08018	3.9
147.11681	12.7
149.09601	3.5
149.13274	3.2
151.11104	0.7
155.08528	2.2
156.09308	3.4
157.10107	9.5
158.10878	2.0
159.08020	2.0
159.11678	16.7
160.08856	0.6
161.05965	0.7
161.09590	4.0
161.13243	12.5
163.11092	3.8
163.14818	4.6
165.09103	1.4
165.12723	1.2
166.08592	0.9
167.10591	0.8
169.10095	3.5
170.10844	1.3
171.07967	1.1
171.11676	8.3
172.12453	0.7
173.09641	1.4
173.13248	22.4
175.11157	4.0
175.14818	9.1
177.12718	2.8
177.16367	2.5
179.10590	0.8
179.14299	0.9
182.10873	0.8
183.11627	4.0
185.09673	1.0
185.13243	10.8
187.11182	2.2
187.14795	15.4
189.12714	8.6
189.16350	3.7
191.10631	0.8
191.14288	10.5
193.15820	1.6
195.11682	1.6
197.13237	3.5
199.11130	2.2
199.14816	5.3
201.12692	2.6
201.16368	8.4
203.14282	11.3
203.17946	1.1
205.12271	0.6
205.15877	8.0
206.04359	0.7
207.11757	1.0
207.13731	0.8
207.17291	0.7
209.13289	1.4
211.14778	3.3
213.12781	1.2
213.16376	2.6
215.14301	3.4
215.17900	1.6
217.12238	17.3
217.15654	2.9
219.13800	1.0
219.17392	2.7
221.13307	1.2
221.15349	10.3
223.16974	0.6
225.16417	1.3
229.15886	1.3
229.19554	0.8
231.13745	2.8
231.17427	1.5
233.13208	0.8
233.15392	2.4
235.13258	1.8
235.16843	1.0
237.16353	0.7
243.17380	0.6
247.16890	1.1
249.14693	1.2
251.17937	0.9
253.19368	0.7
279.21350	0.6
291.26764	2.4
295.20502	0.6
309.28094	0.6
311.20117	0.8
333.07974	1.7
335.09372	6.7
341.11063	1.2
359.27469	0.8
360.25656	0.6
377.28235	1.1
389.28278	4.4
395.29266	1.6
405.27997	1.3
407.28995	7.1
407.33658	1.0
411.28629	0.7
417.27853	1.5
423.28802	4.0
425.30222	6.8
435.28699	9.7
441.29889	1.2
453.29898	9.8
471.21875	100.0
471.30908	19.0
472.22348	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	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.00580	2.2
55.05514	12.4
57.07066	3.4
67.05500	16.9
69.03396	2.7
69.07056	12.8
69.65724	10.0
69.66159	7.3
71.05013	2.8
78.97787	2.0
79.05483	18.0
81.07049	31.9
83.08617	7.2
85.02901	5.4
85.06522	4.5
89.94638	2.2
91.05472	13.9
93.07030	21.8
95.05009	2.7
95.08597	60.4
97.06579	3.4
97.10174	3.2
98.20831	4.6
101.05989	2.9
105.07019	32.8
107.07861	3.4
107.08584	58.7
109.10149	39.4
111.08054	3.7
112.72999	1.8
117.07030	5.2
119.08567	57.1
121.10135	51.8
123.08106	5.1
123.11679	12.3
125.09654	3.5
129.06912	2.5
131.08525	13.3
133.10110	48.9
135.08037	19.1
135.11684	22.3
137.09642	2.8
137.13251	7.8
143.08557	8.0
145.10107	29.6
147.11673	29.8
149.09595	3.1
149.13240	19.3
151.11150	4.6
153.09145	2.9
155.08479	2.5
157.10051	4.9
159.11678	21.0
161.09616	6.1
161.13268	27.0
163.11153	8.5
163.14806	15.2
170.10939	2.8
171.11664	6.6
173.13258	14.6
175.11200	6.9
175.14809	41.7
177.12756	5.8
177.16373	20.0
185.13237	7.2
187.14827	26.9
189.12794	3.6
189.16359	37.7
191.14323	10.1
191.17941	19.8
193.15872	4.3
199.14795	7.5
201.16393	20.1
203.14369	15.6
203.17957	48.3
205.15872	13.9
205.19554	5.8
207.17459	2.3
208.64220	2.5
211.14801	3.2
213.16408	11.8
215.17970	11.1
217.15955	5.0
219.17424	12.9
221.13313	2.1
221.15359	51.0
223.16786	2.6
227.18089	2.8
229.15883	4.5
229.19481	3.4
231.17392	3.1
231.20860	3.0
233.18915	4.1
235.16913	9.2
237.18474	3.1
241.19516	2.7
247.16954	5.1
249.18529	5.8
261.18475	6.7
275.20081	3.4
283.24042	2.8
311.23752	4.5
329.24579	14.5
332.13101	2.4
342.44482	2.0
355.26260	3.5
358.08694	2.3
379.29865	3.0
389.31912	6.8
397.31137	4.1
407.33142	35.7
425.34122	100.0
426.34406	3.8
435.32407	12.7
453.33612	25.6
471.34766	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	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18256	1.6
55.05507	3.7
56.96549	1.9
57.07070	3.5
61.02919	2.4
61.18389	1.5
61.45952	1.8
67.05495	5.7
69.07060	10.2
79.05482	6.8
80.85252	1.7
81.07056	14.2
83.08600	4.8
85.02901	2.4
91.05482	10.7
93.07031	22.1
95.08595	24.0
98.21523	3.9
99.08084	2.6
105.07018	25.4
107.08582	37.5
109.10139	14.4
111.08085	2.1
117.07013	3.7
119.08572	41.4
121.06500	2.9
121.10130	32.1
123.08115	2.4
123.11674	4.5
131.08557	20.6
133.10110	25.8
135.08054	2.2
135.11682	21.1
137.13231	2.0
143.08582	4.7
145.10109	32.7
147.11671	41.3
149.13240	8.5
151.11151	2.5
153.09093	1.8
157.10095	4.5
159.11665	28.9
161.13222	12.0
161.80969	1.7
163.11130	13.0
163.14795	9.6
171.11678	5.4
173.13235	16.6
175.14812	19.9
177.12752	4.0
177.16376	18.9
179.14281	2.0
180.65681	1.9
185.13249	6.5
187.14801	42.1
189.16359	28.6
191.17964	2.3
195.13637	1.9
199.14754	4.2
201.16365	100.0
203.17882	10.8
205.15845	70.1
205.17783	2.8
207.17426	12.4
213.16420	5.9
214.59537	1.9
215.14301	2.2
215.17870	4.7
219.17435	14.4
223.16858	13.7
227.17941	2.0
229.19527	2.2
237.18578	3.2
241.19398	2.1
243.08475	2.0
247.16957	11.8
267.09033	6.2
285.10049	11.4
308.11606	2.4
324.11517	2.8
353.28583	2.5
389.31955	5.6
407.33072	37.0
424.40466	1.7
425.34094	25.8
435.32584	5.6
453.33493	6.6
471.34760	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	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.77031	1.5
53.80778	1.6
55.05501	12.4
57.07065	4.0
58.06368	1.5
63.27259	1.7
64.93743	1.7
67.05497	14.5
69.06715	2.6
69.07062	29.1
69.96611	10.5
71.08621	5.1
72.08304	1.6
79.05476	11.1
81.07044	26.7
83.08603	11.4
85.06509	2.7
91.05467	10.0
93.06466	2.2
93.07037	33.8
95.08595	47.2
97.06516	2.0
97.10141	5.6
105.07015	30.0
107.08585	63.3
109.06428	4.0
109.10155	28.3
111.08052	4.7
111.11699	3.2
117.07014	5.5
119.08569	75.8
121.10133	67.9
123.08041	4.7
123.11688	10.9
125.09641	3.4
129.07008	3.3
131.08545	22.7
133.10103	50.3
135.08052	7.8
135.11670	18.4
137.13208	6.1
139.07550	4.3
143.08554	6.7
144.09268	1.8
145.10104	45.0
147.08012	3.6
147.11682	23.9
149.09578	8.7
149.13254	13.6
151.07484	1.9
151.14803	5.7
153.09094	15.6
155.08469	2.0
157.10098	9.3
158.10873	2.3
159.11674	21.2
160.12369	2.0
161.09558	2.8
161.13223	11.3
163.07486	2.2
163.11165	6.6
163.14803	16.0
165.09093	3.6
165.12813	2.1
165.16246	2.1
167.10689	15.3
169.10124	3.5
171.11630	6.1
172.12556	2.5
173.09698	1.7
173.13214	16.4
175.14795	21.5
177.09152	2.3
177.12677	2.3
177.16354	19.1
179.10678	4.1
181.12184	6.9
183.11607	3.1
184.00706	2.0
185.13254	9.7
187.14804	100.0
189.16359	45.5
191.14316	5.9
191.17941	10.6
195.13823	3.5
197.13251	2.3
199.14789	6.3
201.16362	42.5
203.14276	3.2
203.17917	19.1
205.15909	6.2
205.19527	3.4
207.17444	3.5
209.13364	1.9
211.14810	3.8
213.16379	9.0
215.14507	1.9
215.17899	13.0
217.15814	3.1
219.17439	11.2
221.15306	3.1
223.14752	3.5
223.16785	4.1
225.16385	2.1
227.17897	4.3
229.15836	3.2
229.19508	4.5
231.17398	2.6
233.15379	4.0
233.18968	8.8
235.16866	17.4
237.18494	9.0
239.17836	2.6
241.19463	3.7
247.16968	14.8
249.18481	4.1
251.19940	3.5
255.20880	2.7
261.18280	2.8
281.22668	3.1
293.22748	2.5
297.22079	2.1
311.23740	2.4
329.24570	3.9
337.25284	2.4
353.99179	2.1
355.26480	2.4
365.31903	4.7
375.07828	1.9
389.32138	12.6
407.33023	56.0
408.33221	2.5
411.32449	4.3
417.31656	1.8
425.34119	76.1
435.32437	8.7
453.33606	17.0
471.34735	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	471.3466
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
55.05495	12.1
57.07070	4.9
67.05476	12.2
68.41263	5.0
69.07054	15.2
70.22896	8.7
70.23296	15.2
73.76708	4.1
76.39749	4.8
79.05477	10.6
81.07041	29.3
83.08595	10.6
89.95567	4.2
91.05491	11.1
93.07027	25.9
95.08601	60.1
97.10133	6.3
99.29191	4.9
105.07023	39.9
107.08573	65.1
109.06490	8.0
109.10145	37.6
119.08557	65.9
121.06463	5.3
121.10133	61.8
123.08046	8.7
123.11675	14.5
124.38313	4.7
125.09595	7.7
131.08586	24.0
133.10115	56.3
135.08067	8.0
135.11668	27.2
137.13199	6.1
143.08516	6.7
145.10124	50.8
147.06691	4.7
147.11664	37.6
149.09605	6.2
149.13243	21.5
153.08981	6.0
157.10114	10.7
159.11655	47.6
161.13229	23.8
163.11134	11.1
163.14790	19.4
165.75749	4.6
173.13243	20.4
175.14764	23.6
177.12730	4.3
177.16321	17.2
185.13176	12.2
187.14793	70.7
189.16397	39.4
191.17941	18.1
195.13789	7.6
199.14813	7.4
201.16364	90.1
203.17917	25.1
205.15842	77.8
207.17416	8.8
215.17905	14.3
219.17426	30.8
223.16910	100.0
229.15843	11.8
233.18857	6.5
233.84891	4.7
235.16911	20.8
237.18456	14.5
247.16888	50.5
255.20969	5.4
301.21582	5.8
389.32184	10.0
407.32901	29.7
425.34131	21.8
435.32510	18.7
453.33356	17.9
462.27179	5.2
471.34268	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	471.3464
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.92838	2.3
51.72636	2.0
52.89321	2.2
55.05492	8.9
66.61449	2.6
67.05498	15.4
69.03427	2.5
69.07066	13.6
70.97292	4.8
70.97668	4.9
71.04960	2.3
79.05496	16.7
81.07047	34.7
83.08575	5.3
91.05455	9.9
93.07036	32.8
95.04942	4.2
95.08596	77.3
97.06516	7.9
97.10158	6.8
105.06368	4.6
105.07019	46.1
107.08579	66.5
109.06499	6.0
109.10143	39.7
111.08070	3.1
117.07020	5.9
119.08569	63.8
121.10126	52.4
123.08031	4.3
123.11659	11.6
125.09616	7.7
128.06184	2.6
129.06996	2.9
131.08559	30.8
133.10114	51.1
135.08031	3.7
135.11673	31.8
137.13205	2.8
143.08524	8.8
145.10120	34.3
147.11676	35.7
149.09532	5.1
149.13216	15.7
151.07431	2.2
153.09067	7.3
153.65524	2.4
157.10106	10.9
159.11690	29.8
161.09660	2.9
161.13237	28.6
163.11189	8.1
163.14781	20.7
167.10651	6.1
171.11670	6.6
173.13239	47.5
175.11353	2.8
175.14839	33.7
177.09038	3.0
177.12677	2.5
177.16418	15.5
179.14233	2.5
183.11708	4.6
185.13242	11.9
187.14790	39.6
189.16354	33.8
191.14293	100.0
191.17889	13.9
193.15857	3.0
198.30257	2.5
199.14742	8.2
201.16353	31.0
203.14345	18.8
203.17941	73.9
205.15819	18.2
205.19496	9.3
213.16393	13.0
215.17960	9.5
217.15765	3.8
217.19490	4.8
219.17450	8.7
221.15364	51.1
223.16847	3.4
225.16328	3.0
229.19461	4.6
231.17445	4.5
231.21045	4.3
235.16927	6.8
238.96597	2.6
239.17914	3.1
241.19476	3.0
247.16905	13.8
249.18481	25.0
261.18436	8.1
283.24124	2.7
295.83334	3.2
311.23657	9.1
329.24527	4.2
389.31787	6.5
407.33127	35.5
423.32764	3.4
425.34097	36.3
435.32501	17.8
453.33621	24.0
471.34744	42.6
472.34933	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	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.1
55.82671	3.4
67.05503	17.2
67.14268	3.1
67.41653	4.1
69.07061	23.3
69.85533	3.7
70.21553	15.9
79.05468	10.7
81.03423	4.2
81.07047	42.1
81.38281	3.2
83.08622	13.7
91.05473	19.2
92.81449	3.8
93.07038	38.1
95.04935	8.3
95.08601	78.4
97.06546	7.0
97.10164	7.8
98.21435	6.0
99.08115	4.1
105.07028	42.8
107.08588	77.4
107.85467	3.5
109.06535	6.9
109.10159	53.4
111.08076	6.7
111.83182	3.4
114.86163	4.0
117.07004	8.4
119.08575	83.7
121.10134	62.7
123.08039	5.5
123.11706	17.9
125.06010	4.8
125.09618	6.6
127.10365	3.8
131.08559	30.2
133.10124	73.6
135.08055	7.5
135.11667	31.2
137.13257	7.0
143.08566	9.4
145.10107	58.9
147.11679	40.1
149.09637	10.8
149.13268	27.1
151.11177	5.4
155.08505	4.5
157.10165	11.5
159.11671	53.5
161.09552	4.2
161.13274	26.1
163.11212	8.7
163.14792	22.9
165.12747	5.8
170.11029	4.3
171.11652	6.2
173.13277	26.6
175.14864	22.0
175.16222	3.6
177.09160	9.8
177.12785	8.6
177.16360	26.1
181.10074	4.0
183.11617	3.9
185.13271	14.7
187.14799	50.0
189.16342	50.4
191.14349	8.2
191.17966	19.0
195.13911	4.1
199.14815	14.6
201.16370	100.0
202.16815	4.9
203.17944	23.0
205.15866	59.2
207.17484	4.0
213.16351	5.1
215.17986	15.2
217.15831	6.1
217.19456	4.0
219.17445	24.6
223.16907	19.8
229.15956	7.0
229.19435	8.6
231.17421	6.0
235.16913	19.4
237.18634	9.2
241.19479	5.7
243.21095	5.2
247.16908	68.2
249.18701	5.7
259.08063	4.4
275.20123	6.7
281.22787	5.1
301.21399	5.8
311.23633	4.4
329.24777	4.4
389.32016	8.9
407.33231	33.4
425.34088	22.9
435.32620	26.3
453.33459	12.4
471.35535	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03920	3.1
55.05490	12.4
57.07064	4.5
66.91753	3.1
67.05493	23.3
69.07058	13.4
70.10822	10.6
71.04958	3.4
74.62958	2.8
77.78402	2.9
79.05479	21.7
81.07043	52.0
83.04974	16.1
83.08606	8.5
91.05453	21.7
93.07028	52.8
95.04961	9.2
95.08593	84.1
97.06513	4.8
97.10180	6.1
98.21090	7.6
105.07023	48.7
107.08585	100.0
109.06522	6.6
109.10136	47.5
111.08075	13.6
117.06995	8.7
119.08564	80.7
119.97106	2.8
121.09277	5.8
121.10123	51.4
123.08071	6.2
123.11687	16.6
125.09607	54.1
129.06989	4.7
131.08549	27.3
133.10112	60.2
135.08057	4.5
135.11656	29.3
137.09648	3.0
143.08578	11.7
144.09332	3.6
145.10110	49.8
147.11655	32.1
149.13263	14.7
151.11110	4.4
157.10143	15.2
158.10822	3.4
159.11682	57.6
161.13231	36.4
163.11244	3.4
163.14781	20.3
164.04861	3.3
171.11664	12.1
173.13261	32.2
175.14789	29.1
177.12743	3.1
177.16383	19.4
179.10699	3.2
183.11681	3.2
185.13220	6.0
187.14789	50.7
189.16365	59.0
191.14299	7.0
191.17932	12.8
193.15840	4.6
197.12981	3.2
199.14862	19.8
201.16367	97.4
202.16808	3.5
203.17892	19.6
205.15840	8.9
207.17340	3.6
213.16347	28.7
215.17917	23.7
217.15845	11.6
219.17387	20.0
221.15227	4.5
227.17946	7.7
229.19496	9.7
231.17413	7.9
233.18974	5.6
235.16902	12.1
241.19588	6.9
247.16933	13.2
255.20848	3.9
261.18427	10.4
265.19376	3.1
269.18924	3.3
269.22562	4.7
275.20053	5.3
281.22513	4.6
283.24106	5.9
327.23248	4.5
341.24976	4.6
347.27325	3.0
389.31998	21.6
407.33020	58.5
423.32498	4.6
425.34204	13.1
435.32654	33.9
453.33685	34.9
471.34927	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05503	9.4
57.03411	2.0
57.07070	3.8
58.16784	2.0
67.05486	7.7
68.44540	1.6
69.07055	10.5
70.43068	4.4
79.05488	8.3
81.07049	20.1
83.08600	8.1
90.75841	1.7
91.05461	10.0
93.07034	20.3
95.04956	2.5
95.08591	42.4
97.10150	1.7
98.20966	2.8
99.08102	1.7
105.06373	2.9
105.07020	27.6
107.08578	43.5
109.06517	3.5
109.10143	22.7
111.08100	1.8
117.07028	5.1
119.08571	82.5
121.10126	30.2
123.08064	2.8
123.11702	10.3
129.24208	1.7
131.08542	17.9
133.10118	39.1
135.08022	2.8
135.11685	20.9
137.09612	3.6
137.13263	2.5
142.07704	2.0
143.08539	4.7
144.09392	1.8
145.10098	42.5
147.11665	24.2
149.09534	2.0
149.13287	10.5
151.07518	3.8
151.11096	4.0
153.09094	1.8
157.10112	8.2
159.11665	31.2
161.13240	19.3
163.07549	6.4
163.11215	9.4
163.14783	10.8
171.11650	6.9
172.95219	5.3
173.13222	27.8
175.14812	24.0
177.12862	1.9
177.16373	21.4
179.14226	2.9
183.11620	3.1
185.13239	8.1
187.14804	39.0
188.15263	2.2
189.16347	46.7
190.96310	4.2
191.10660	1.9
191.14331	2.0
191.17873	3.3
199.14803	7.9
201.16360	68.7
203.14265	3.3
203.17937	19.0
205.15860	70.8
207.17432	30.2
213.16382	5.7
215.14360	2.2
215.17923	5.9
219.17412	3.6
221.15468	1.8
223.16949	5.7
227.17880	4.3
229.15814	5.3
229.19519	6.7
233.15285	3.4
241.19395	2.7
243.20970	2.7
247.16882	15.1
249.18510	2.0
253.19612	2.3
313.25107	2.4
322.31686	1.9
389.31927	8.9
407.33032	100.0
408.33408	4.6
425.34048	50.9
435.32700	19.4
453.17072	3.2
453.33820	8.3
471.17984	5.1
471.24667	2.4
471.34943	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	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05506	14.2
57.07056	8.3
59.04981	1.7
67.05499	14.5
68.76871	1.7
69.03392	3.6
69.07057	19.1
70.42185	7.0
71.08604	1.7
79.05479	12.9
81.07049	33.6
82.84058	1.8
83.04966	3.1
83.08611	13.0
85.06537	2.5
85.83945	1.8
86.70744	1.9
91.05459	18.6
93.07032	41.0
95.04954	3.4
95.08593	59.4
97.06535	3.9
97.10159	5.5
98.20837	2.8
98.21371	2.5
99.08081	4.4
105.07015	47.4
107.08580	70.2
109.06517	6.4
109.10142	42.2
111.08049	5.5
117.07001	8.0
119.08566	75.2
121.06483	4.0
121.10129	75.3
123.08049	6.8
123.11672	14.1
125.09600	2.3
130.07750	2.6
131.08545	28.4
133.10115	65.4
135.08046	8.7
135.11676	31.5
137.09651	4.2
137.13188	4.5
143.08543	6.6
144.09392	2.1
145.10104	62.6
147.11670	41.1
149.09587	7.5
149.13213	20.1
151.11180	5.0
153.09084	4.1
157.10112	9.1
158.10951	3.6
159.11670	49.5
161.13237	27.5
163.07591	3.1
163.11189	13.3
163.14804	28.6
165.12694	4.2
169.10185	2.4
171.11652	10.2
172.01764	1.8
172.12411	2.4
173.13254	24.5
175.14798	23.8
177.09140	10.0
177.12714	7.0
177.16357	27.1
185.13188	7.2
186.13998	2.5
187.13098	4.4
187.14801	69.9
188.14980	1.9
189.16368	49.5
191.10667	2.0
191.14247	2.8
191.17934	24.7
195.13770	7.5
197.13316	3.1
199.14809	8.0
201.16354	100.0
202.16646	2.0
203.14313	4.7
203.17929	22.9
205.15848	82.5
205.19295	3.9
207.17499	10.8
213.16382	10.7
215.17937	13.0
217.15849	5.3
217.19556	2.1
219.17410	37.8
223.16907	98.8
224.17311	3.5
225.16330	2.5
227.17799	3.8
229.15828	6.9
229.19395	6.0
231.17336	5.1
233.19067	5.6
235.16881	27.8
237.18439	10.5
241.19418	3.0
247.16885	54.3
249.18587	2.7
253.19383	2.4
255.21191	3.1
261.18405	2.9
287.20044	4.6
301.21530	4.1
311.23621	7.0
334.84357	2.5
389.31888	8.4
407.33136	27.7
425.34003	22.8
435.32660	15.2
453.33466	8.6
471.34753	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	471.3465
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
50.42123	1.1
52.00582	1.1
53.03922	1.6
55.01865	1.1
55.05500	8.4
57.03418	1.9
57.07057	3.6
67.05498	14.6
69.03398	4.7
69.07052	9.5
70.14562	6.3
71.04982	1.8
79.05476	10.1
81.07046	34.7
83.08596	5.2
83.75462	1.1
91.05465	12.7
93.07034	32.9
95.04950	3.7
95.08595	59.0
97.06521	7.6
97.10159	3.5
99.08051	2.8
105.07022	35.2
107.08581	52.9
108.47958	1.3
109.06493	3.1
109.10147	36.4
109.95966	1.1
110.10474	1.2
111.08071	4.0
117.06967	5.9
119.08569	55.2
121.06517	1.6
121.10129	42.7
123.08047	5.7
123.11687	14.0
125.09647	7.8
129.07022	2.5
130.07802	1.1
131.08557	21.4
133.10114	45.4
135.08040	3.0
135.11682	35.7
137.09612	2.7
137.13251	2.3
142.07690	1.2
143.08557	9.2
144.09323	2.3
145.10101	37.3
146.10878	1.2
147.11668	23.1
149.09610	4.4
149.13223	10.4
151.07468	1.4
151.11151	1.5
153.09071	3.3
155.08612	1.9
156.09390	1.6
157.10112	9.0
158.10864	1.4
159.11673	33.4
159.13000	1.6
161.13232	25.9
163.07581	1.3
163.11183	2.8
163.14827	11.8
165.09099	1.2
169.10040	1.6
171.11681	6.1
173.13251	19.0
175.14818	23.4
177.09151	2.1
177.16324	9.9
179.14287	3.7
183.11691	1.4
185.13249	4.4
185.58530	1.2
187.14796	41.9
189.12807	1.8
189.16360	46.2
191.14299	8.1
191.17941	10.9
193.15921	4.3
195.11720	1.7
197.13284	1.6
199.14767	9.5
201.16357	57.9
203.14296	1.2
203.17911	15.8
205.15852	6.0
207.17416	3.6
211.14798	2.9
213.16376	12.2
215.17928	17.8
217.15834	7.5
217.19437	1.6
219.17416	18.9
221.15407	2.8
225.16360	1.9
227.17949	5.1
229.15866	2.0
229.19562	3.9
231.17409	2.3
233.18954	7.0
235.16867	11.2
239.17877	2.4
241.19550	4.8
243.21034	2.3
247.16895	14.8
255.20988	2.2
259.17056	2.6
261.18484	8.4
267.21106	3.7
275.19962	2.3
281.22598	2.9
283.24274	6.6
293.22516	1.2
301.21616	1.4
303.99982	1.3
311.23654	2.3
323.27420	1.7
327.23102	1.6
329.24716	4.8
343.26495	1.7
349.29236	1.6
367.26633	1.4
389.32050	10.1
395.29581	2.5
407.33078	52.5
408.33386	2.5
409.34714	4.1
423.32428	5.7
425.34250	6.5
435.32587	25.1
453.33615	17.5
455.88635	1.2
471.34680	100.0
472.35046	4.7
474.80740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05499	9.7
57.07061	3.2
59.54387	2.0
59.76024	1.9
66.17032	2.1
67.05499	14.1
69.03423	5.1
69.07050	14.9
71.08611	4.4
71.09003	3.9
77.03914	2.5
79.05494	12.4
81.07048	37.9
83.08606	5.4
87.59857	2.1
91.05451	12.4
93.07039	35.9
95.04949	7.6
95.08598	63.1
97.06526	6.1
97.10121	3.2
105.06365	4.0
105.07016	44.0
105.07669	3.7
107.08576	67.1
107.09280	4.0
109.06541	4.5
109.10143	43.0
111.08049	6.3
117.07035	4.9
119.08569	64.9
121.06495	6.4
121.10130	43.5
121.10986	2.4
123.08041	5.2
123.11694	13.7
125.09612	7.9
129.06972	2.4
131.08560	21.6
133.10118	53.1
133.11075	4.4
135.08051	3.5
135.11664	31.0
137.09625	4.6
137.13264	2.7
143.08553	9.0
145.10104	41.1
147.11664	30.9
149.09607	4.1
149.13229	23.5
151.11165	3.4
153.09189	3.7
157.10124	8.3
159.11678	31.3
161.09634	3.8
161.13242	34.8
163.11197	7.6
163.14809	28.6
167.10709	2.5
171.11684	8.4
173.13225	30.0
175.11185	6.6
175.14793	41.8
176.56262	2.0
177.16356	30.4
179.10803	3.0
183.11717	2.7
185.13327	5.0
186.13989	2.3
187.14789	49.9
189.16341	56.9
191.14293	32.9
191.15913	3.3
191.16484	2.3
191.17874	14.4
193.12244	4.0
193.15952	3.7
199.14754	14.2
201.16364	50.0
203.14485	12.2
203.17931	100.0
205.15863	12.8
205.19530	3.1
207.17345	2.8
213.16357	15.1
215.17964	17.8
217.15884	8.5
217.19475	3.1
219.17401	15.6
221.15340	26.2
223.17126	2.8
227.18004	6.5
229.16066	2.7
229.19617	4.9
231.17404	8.1
231.21121	4.9
233.15434	2.7
233.19099	7.7
235.16911	10.6
241.19501	5.4
243.21175	2.0
247.16904	12.1
249.18443	24.4
261.18506	6.3
267.21170	2.2
269.22626	2.5
283.24075	3.6
329.24817	3.4
338.96228	2.2
343.26312	2.4
389.31985	11.9
391.33401	2.6
395.33279	5.6
407.33041	51.9
409.34470	4.1
423.32529	7.0
425.34106	70.6
426.34558	7.7
435.32584	20.2
441.33890	3.1
453.33551	25.6
471.34714	91.5
472.35144	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	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.20846	2.2
52.80907	2.4
53.03938	4.0
55.05494	11.4
57.07065	3.1
65.03925	3.9
67.05502	17.4
69.07051	8.8
69.44526	2.1
70.10291	2.1
70.10609	13.9
79.05479	22.0
81.07047	42.2
83.04967	13.5
83.08597	10.4
91.05466	21.2
93.07032	54.8
95.04973	4.0
95.08595	92.2
96.99065	2.7
97.06532	4.4
97.10142	5.6
98.21106	6.4
104.70815	2.6
105.06373	3.9
105.07016	47.2
107.08585	100.0
109.06509	5.7
109.10141	48.1
111.08063	14.7
116.52892	2.9
117.06985	7.7
119.08562	72.5
121.10126	39.6
123.08028	6.5
123.11710	13.3
125.09621	46.1
131.08554	25.1
133.10109	48.1
135.08044	4.8
135.11676	29.4
137.09653	3.7
139.07466	3.8
143.08524	8.7
144.09355	4.5
145.09027	4.2
145.10103	50.8
147.11658	27.5
149.09570	4.3
149.13295	13.8
151.11150	3.5
153.09103	4.1
157.10097	8.4
159.11688	52.0
161.13251	31.8
163.07602	3.7
163.14816	18.3
167.10678	2.7
170.10881	2.4
171.11674	10.3
172.12657	2.9
173.13225	31.1
174.85077	2.8
175.14798	32.3
177.09134	4.2
177.16367	16.2
183.11641	3.9
185.13260	7.6
187.14781	47.0
189.16376	47.8
191.14282	7.6
191.17952	22.3
192.24408	2.7
193.15836	6.3
197.13205	3.4
199.14786	16.0
201.16371	69.6
203.14420	4.8
203.17885	25.9
205.15846	11.5
205.19496	7.2
207.17459	3.0
209.13295	2.8
213.16412	18.6
215.14290	2.5
215.17940	27.5
217.15799	7.9
217.19431	3.4
219.17389	24.2
221.15364	11.1
227.17909	3.7
229.15840	4.4
229.19424	5.9
233.15402	3.1
233.18898	4.6
235.16917	13.7
241.19539	4.5
247.16965	28.9
249.18486	3.5
255.21083	4.3
261.18460	14.2
269.65140	2.6
275.20190	3.4
283.24152	4.5
293.22476	5.4
311.23694	7.5
315.23013	2.8
327.22952	5.3
329.24670	5.4
334.58212	2.8
341.24716	5.3
389.32104	13.8
395.29153	4.6
407.33026	56.9
408.33072	3.5
425.33932	19.6
435.32471	27.1
453.33813	26.0
471.34863	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	471.3465
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05502	5.4
57.07071	2.2
67.05487	5.8
69.07056	10.9
69.37353	16.2
79.05479	6.5
81.07050	14.0
83.08593	4.2
91.05466	7.2
93.07036	16.9
95.08592	29.9
97.10193	1.8
105.07018	23.6
107.08578	30.4
109.10139	16.8
117.07012	4.0
119.08567	40.7
121.06487	1.8
121.10127	28.3
123.08024	2.1
123.11700	6.8
128.74063	1.7
130.07794	1.5
131.08548	18.2
133.10114	30.7
135.11691	14.5
137.09636	2.7
137.13368	1.6
143.08583	4.1
144.09367	2.7
145.10106	40.5
147.11659	21.3
149.09590	2.2
149.13225	10.8
157.10130	4.5
159.11673	28.2
161.13235	18.0
163.11209	11.7
163.14781	12.0
171.11691	4.4
173.13229	13.3
175.14798	22.2
177.12769	3.0
177.16359	19.6
177.17589	1.9
179.14291	1.6
185.13213	3.8
187.14792	37.1
188.15236	1.6
189.16353	43.0
191.14343	3.3
191.17911	4.3
197.13200	1.4
199.14786	6.1
201.16357	100.0
201.34505	1.4
203.17935	28.8
205.15851	64.4
206.16330	1.6
207.17400	8.6
213.16412	5.7
215.17934	4.1
217.15823	1.9
217.19476	3.3
219.13876	2.0
219.17453	6.2
221.15355	1.8
223.16888	21.0
227.17899	1.6
229.15811	1.8
229.19539	2.9
231.17366	2.0
235.17036	2.8
239.17863	1.8
247.16913	24.0
389.32019	4.7
407.33054	34.7
409.34525	2.1
425.34091	34.7
435.32254	7.2
453.33688	3.9
471.34464	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.95662	2.4
55.05491	9.5
57.07056	2.3
67.05490	14.4
69.07061	17.7
69.51456	17.2
69.51875	4.4
79.05468	12.1
81.07051	26.7
83.04984	2.7
83.08601	12.3
91.05469	13.4
92.71812	2.2
93.07031	28.5
95.04958	2.5
95.08040	3.3
95.08605	45.8
96.08930	2.3
97.02855	2.1
97.06546	2.5
97.10160	4.7
98.20775	5.4
105.07027	30.8
107.08585	50.7
109.06483	4.1
109.10143	25.8
115.95461	2.3
117.06983	5.6
119.07773	4.2
119.08569	52.7
121.06472	3.5
121.10130	41.3
123.08084	5.9
123.11681	7.6
125.09575	3.0
129.06920	2.4
131.08537	27.4
131.66197	2.3
133.10114	45.0
135.08037	5.1
135.11684	23.9
137.09605	3.5
138.36113	2.0
143.08524	7.4
145.10112	42.8
147.11682	21.9
149.09592	3.2
149.13225	21.3
157.10083	12.1
159.11693	31.2
161.13222	20.9
163.07489	2.6
163.11179	13.9
163.14822	16.8
171.11685	5.7
172.95187	5.8
173.13251	24.1
175.11169	4.3
175.14830	35.4
177.12787	3.0
177.16383	25.1
179.14317	3.8
183.06241	2.3
184.12395	2.4
185.13196	5.3
187.14804	41.7
189.16354	44.2
190.96288	4.8
191.14212	4.6
191.17941	8.7
197.13164	3.4
199.14795	8.1
201.16357	100.0
201.18233	4.9
203.14304	3.2
203.17952	34.4
205.15854	76.1
207.17450	11.2
208.87065	2.3
213.16360	6.3
215.14323	2.9
215.17934	6.9
217.19522	3.2
219.17407	6.4
221.15392	6.2
223.16933	17.0
227.17862	2.2
229.15782	3.3
229.19450	6.9
231.17422	3.2
233.19069	3.5
241.19353	2.6
243.20795	2.3
247.16959	21.2
249.18593	2.7
261.18515	2.3
309.95438	2.6
335.96658	2.7
379.69586	2.0
389.31860	5.4
391.33426	3.6
407.33005	49.9
409.34909	5.7
425.34003	29.0
435.32562	16.9
453.16803	2.8
453.33951	15.0
471.18085	6.4
471.35220	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	471.3462
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
52.83243	1.2
53.03926	1.5
55.05495	11.3
57.07061	3.1
58.45668	1.1
65.03938	1.9
67.05492	16.2
67.17652	1.4
69.03420	5.2
69.07057	15.2
71.04973	1.3
79.05484	12.3
81.07045	32.1
83.08611	8.8
85.06524	1.7
91.05463	12.6
93.06456	2.1
93.07034	30.1
95.04961	3.5
95.08591	66.6
97.06518	26.9
97.10154	4.0
98.21095	6.6
98.28345	1.1
99.08080	7.3
103.90467	1.1
105.07014	35.7
107.08574	55.9
108.53843	1.1
109.06523	7.0
109.10136	36.3
111.08049	7.7
115.05385	1.8
117.07043	6.0
119.08561	86.1
120.81784	1.1
121.06546	1.8
121.10123	51.8
123.08053	6.2
123.11682	14.3
125.09612	14.7
129.06989	3.9
131.08553	23.3
133.09085	2.3
133.10109	47.1
135.08043	1.7
135.11681	27.5
137.09601	3.7
137.13254	2.6
143.08546	9.0
144.09389	2.3
145.10100	53.0
147.11673	21.0
149.09613	12.0
149.13213	10.9
151.11151	2.8
153.09128	3.7
155.08566	2.0
156.09407	2.5
157.10095	10.1
158.10869	2.7
159.11667	44.8
161.13234	43.0
161.14590	2.3
163.07544	2.5
163.11115	5.7
163.14780	10.3
169.10100	3.0
171.11641	7.8
172.12421	2.0
173.09590	1.8
173.13246	24.3
175.11189	1.3
175.14806	26.9
177.09100	5.6
177.12732	3.9
177.16341	16.3
179.14259	2.2
183.11685	3.2
185.13274	6.7
186.14066	1.9
187.14795	100.0
188.15091	1.8
189.12659	1.8
189.16362	25.7
191.14304	7.6
191.17921	8.6
193.15778	2.9
195.11746	2.1
197.13315	3.1
199.14769	9.0
201.16350	52.7
203.17934	16.6
205.15915	6.0
207.17348	2.0
211.14799	4.3
213.16331	14.6
215.14499	1.2
215.17906	22.8
217.15910	3.0
217.19460	3.3
219.17406	22.5
219.19522	1.4
221.15396	3.5
223.14751	1.4
225.16354	4.0
227.17914	5.8
229.15842	4.8
229.19514	3.6
231.17416	2.4
233.15387	2.6
233.18936	14.0
235.16925	5.8
239.17906	2.7
241.19492	5.3
243.21118	1.5
247.16884	21.1
253.19475	2.8
255.20993	2.3
261.18423	6.3
267.21170	3.1
275.20068	2.4
279.21060	1.8
281.22705	2.7
283.23987	2.3
287.20078	3.6
293.22632	3.1
309.25778	2.9
311.23566	4.8
321.25485	1.2
329.24643	2.3
337.25113	1.6
341.24570	1.5
349.28815	3.4
355.26233	2.4
389.32028	12.2
395.29315	16.9
407.33008	59.6
408.33325	2.2
409.34702	1.9
413.14658	2.0
417.31708	1.5
423.32413	1.7
425.33954	6.1
435.32465	18.5
453.33594	18.8
471.19208	7.4
471.34784	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87337	1.2
55.05505	4.8
56.64656	1.4
57.07070	1.7
59.19958	1.3
67.05500	7.8
69.03428	2.1
69.06738	1.8
69.07059	11.4
70.18195	2.3
70.18594	3.5
70.95559	1.2
71.04982	1.8
73.02921	1.4
79.05477	7.6
81.07040	19.6
82.20293	1.2
83.04982	3.0
83.08626	6.6
85.06522	1.3
86.09725	1.4
88.93683	1.2
91.05474	10.3
93.07031	21.2
95.04964	4.0
95.08591	31.2
97.06546	3.0
97.10158	1.5
100.34061	1.3
103.41859	1.4
105.06296	1.6
105.07011	32.9
107.07858	2.3
107.08576	38.3
109.06523	3.1
109.10147	19.4
111.08083	3.1
113.05978	2.2
117.06998	3.8
119.08566	41.1
120.08974	1.4
121.06535	2.2
121.10131	35.1
123.08049	4.5
123.11694	6.3
125.09616	3.3
128.06178	1.5
129.06976	2.5
130.07803	1.3
131.08553	22.7
133.10117	32.9
135.08029	4.8
135.11659	15.1
137.09616	3.4
137.13255	1.8
143.08600	4.7
144.09309	1.7
145.10104	46.1
147.08018	2.2
147.11667	21.2
149.09637	3.6
149.13235	16.4
151.11143	2.4
153.09088	1.5
156.09315	1.8
157.10117	6.3
158.10826	1.8
159.11678	28.4
159.52707	1.3
160.12207	2.1
161.13266	19.5
163.11156	15.8
163.14803	9.8
169.10115	2.1
171.11603	6.4
172.12390	1.5
173.09618	1.6
173.13252	20.2
174.55063	1.3
175.11200	1.7
175.14795	21.0
177.12769	2.7
177.16364	17.2
179.10637	2.1
179.14296	1.8
183.11687	2.5
185.13216	6.3
187.14798	47.2
189.12740	2.0
189.16371	37.9
191.14297	3.0
191.17967	4.3
195.13762	4.9
197.13268	2.5
199.14839	5.9
201.16350	100.0
202.16780	1.6
203.14349	1.9
203.17952	33.3
205.15843	63.0
206.16258	1.7
207.17447	9.1
211.14813	1.8
213.16393	6.6
215.17938	5.7
217.15929	2.3
217.19456	2.2
219.13904	2.0
219.17389	7.1
223.16870	21.8
227.17900	3.2
229.19528	2.8
231.17410	2.1
233.15559	1.4
233.18951	3.2
235.16943	1.8
239.17960	1.6
241.19440	2.3
247.16905	25.0
253.19447	1.5
255.21034	2.0
269.12183	2.2
285.64096	1.4
296.27094	1.3
351.20282	2.2
369.10098	1.6
389.32056	5.6
407.33115	33.5
409.34570	2.5
425.28940	2.0
425.34164	35.0
427.35583	1.5
435.32956	7.1
443.35175	6.2
453.33334	5.7
471.30280	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	471.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50448	2.8
51.51174	2.7
55.05259	2.9
55.05489	14.8
57.07064	6.6
67.05509	25.9
69.03411	3.5
69.07056	18.1
69.56276	24.6
77.00877	4.3
79.05481	19.0
81.03427	3.9
81.07045	38.7
83.08604	10.2
91.05455	23.3
93.07037	34.9
95.01933	4.3
95.04961	6.0
95.08593	61.8
97.06528	3.5
97.10147	5.2
98.16635	3.1
99.08086	4.2
105.07015	53.3
107.08585	74.1
108.08900	3.7
109.06520	7.5
109.10138	38.9
111.08069	6.4
112.16254	2.7
117.07018	8.4
119.08569	84.4
121.06519	6.7
121.10129	66.1
123.08021	8.2
123.11695	14.9
125.09609	4.1
129.06934	4.1
131.08553	44.2
133.09154	2.3
133.10106	54.8
134.10475	4.0
135.08035	24.7
135.11667	26.5
137.09563	7.5
137.13223	5.0
142.07780	3.5
143.08568	12.3
144.09258	3.4
145.10104	80.2
147.08014	8.0
147.11685	32.8
148.14355	2.9
149.09633	6.3
149.13266	15.7
151.11163	4.4
153.03931	4.6
155.08467	3.7
157.10085	13.9
158.10840	4.2
159.08047	4.8
159.11674	66.4
161.09576	8.8
161.13258	33.1
163.07443	3.4
163.11206	18.6
163.14804	15.9
169.10086	5.3
170.10808	4.4
171.11671	17.9
172.12352	4.2
173.06581	12.4
173.09679	4.1
173.13286	31.5
175.11176	10.2
175.14819	35.9
177.12738	4.3
177.16371	25.6
179.14395	3.3
183.08655	4.5
183.11700	7.8
185.13266	14.1
187.08151	9.0
187.14803	81.1
188.15190	5.4
189.12675	5.1
189.16339	40.5
191.14279	8.8
191.17963	5.6
193.12260	3.7
197.13249	3.5
199.08104	4.7
199.14769	10.9
201.09738	13.5
201.12686	11.7
201.16347	92.3
203.14322	16.6
203.17924	26.5
205.09213	7.5
205.15871	91.3
206.16211	4.9
207.17398	12.3
211.14845	4.0
213.16353	12.6
215.14340	7.3
215.17946	8.5
217.10754	3.7
217.15854	7.7
219.17383	21.0
221.18910	3.4
223.16936	8.9
227.14301	3.1
227.17915	6.2
229.12820	6.9
229.15875	4.3
229.19588	4.8
231.17386	4.5
233.15286	5.8
233.19136	3.7
235.11926	4.0
235.16841	4.7
241.19458	6.4
247.11818	9.0
247.16873	13.6
253.19475	3.3
257.15982	4.0
265.12790	34.3
266.13080	4.1
283.13879	53.8
283.16772	5.8
284.14166	5.0
287.20071	6.0
288.14331	6.0
306.15494	5.2
389.32007	10.0
407.33157	53.1
408.33734	3.3
425.34103	46.0
435.32428	12.8
441.29993	3.9
453.34482	25.9
471.25659	100.0
471.31235	61.0
472.25900	19.9
472.31485	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	471.3467
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
55.05506	16.0
55.97245	2.0
56.96559	2.1
57.07057	4.4
57.19735	1.8
66.25284	2.1
67.05492	25.9
69.03402	6.9
69.07056	23.8
71.04993	5.1
71.61874	5.1
79.05483	21.6
79.43154	2.3
81.03413	3.8
81.07047	53.8
83.04955	6.3
83.08617	12.4
85.02883	2.7
85.06521	3.4
91.05462	27.8
93.07034	51.2
95.04968	11.0
95.08597	80.9
97.02933	3.2
97.06525	13.1
97.10149	7.6
98.21316	2.4
99.04465	3.4
99.08078	11.4
105.07015	61.4
107.08578	78.4
109.06525	10.3
109.10142	51.5
111.08078	9.0
113.05985	4.2
115.05586	2.1
117.07006	9.5
119.08569	98.3
121.06467	10.3
121.10123	56.4
123.08055	7.6
123.11701	17.8
125.09644	11.8
127.07561	4.3
128.06183	5.3
129.06967	4.4
130.07777	3.5
131.08554	41.0
133.06453	3.4
133.10107	71.0
133.11063	4.5
135.08044	10.2
135.11667	39.0
137.09593	7.0
137.13229	3.0
139.03899	8.1
142.07767	7.1
143.08540	15.2
144.09337	4.1
145.10107	58.5
146.10629	2.3
147.08047	4.9
147.11661	46.0
149.09593	6.5
149.13246	23.4
151.07513	3.3
151.11130	3.5
153.09108	4.4
155.08514	3.9
156.09253	3.2
157.10109	22.0
158.10889	5.4
159.08058	3.3
159.11667	43.3
161.09575	9.6
161.13242	38.6
163.07620	2.9
163.11115	13.9
163.14781	26.0
165.12749	2.9
167.10631	4.3
169.10110	6.5
170.10847	3.8
171.11700	17.9
172.12263	2.7
173.09610	6.9
173.13223	39.1
175.11162	11.7
175.14807	40.8
177.12737	6.4
177.16359	33.0
178.26370	2.2
179.10638	3.5
179.14268	3.7
181.10056	3.2
182.10995	3.2
183.11700	5.7
185.13249	20.0
187.11145	4.2
187.14790	64.4
187.16426	4.5
189.12752	6.7
189.16359	55.9
191.14284	37.1
191.17950	9.0
193.12267	5.7
195.11595	2.5
197.13257	5.7
199.03972	3.3
199.11078	2.3
199.14813	19.2
201.12798	3.0
201.16357	66.1
203.14400	15.5
203.17934	100.0
205.12155	2.5
205.15840	39.0
205.19492	3.6
207.11600	2.4
207.17393	5.9
211.14815	5.9
213.12686	2.7
213.16367	20.9
215.14325	4.7
215.17934	15.5
217.12256	4.6
217.15924	11.6
217.19511	3.1
219.13771	4.6
219.17418	15.0
221.15387	21.2
221.18954	3.6
223.16982	6.4
225.16443	3.1
227.17949	6.3
229.15916	2.4
229.19400	3.1
231.13937	3.9
231.17393	7.2
231.21057	4.0
233.15395	4.1
233.18982	6.1
235.16849	5.3
237.16457	3.4
239.17964	5.1
241.19449	6.3
245.19003	2.6
247.16815	10.6
249.18445	22.7
261.18475	4.8
265.19510	3.4
267.20856	3.2
277.21573	3.4
311.12683	3.2
388.22009	2.3
389.31943	9.4
391.33423	3.3
395.32910	6.1
407.33173	43.7
409.34607	6.4
417.27768	3.8
423.32852	5.1
425.29037	4.5
425.34195	62.4
435.33215	18.9
453.28647	5.1
453.33450	17.4
471.30264	26.7
471.34726	46.0
472.30841	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	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.23372	2.2
55.05494	9.9
57.03425	2.6
57.07066	4.8
57.75655	2.2
58.96782	2.1
65.03931	2.7
67.05495	19.8
67.35983	2.2
69.03397	2.4
69.07061	18.4
70.75875	4.9
71.04980	6.2
74.06103	2.3
75.94773	2.1
79.05484	16.1
81.07043	38.9
83.08619	11.5
85.02890	5.6
87.46005	2.1
91.05466	21.7
93.07035	38.0
95.04970	8.0
95.08595	55.4
95.48434	2.3
96.38863	2.6
97.06526	4.5
97.10148	3.6
105.07016	49.4
106.07410	2.5
107.04940	2.9
107.08582	69.3
108.08898	2.7
109.06508	4.9
109.10146	33.1
111.08071	3.9
117.06974	11.4
119.08571	80.7
121.06518	2.9
121.10125	52.2
123.08053	3.3
123.11705	13.2
124.22670	2.4
129.06937	2.6
131.08553	33.7
133.10112	62.4
135.08028	7.4
135.11647	24.8
137.13205	4.0
143.08536	6.7
144.09305	2.8
145.10106	69.9
145.11276	3.8
147.11673	38.7
149.09570	5.4
149.13239	18.1
151.11137	3.8
156.09277	2.5
157.10121	10.5
158.10876	3.8
159.11670	55.3
161.09561	2.6
161.13232	34.9
163.07445	2.8
163.11163	13.5
163.14818	21.6
170.10968	4.0
171.11662	12.9
173.09636	5.3
173.13240	30.1
175.11159	3.8
175.14815	38.8
177.12769	4.2
177.16388	27.5
179.08362	2.6
179.14291	2.8
183.11665	5.5
185.13252	12.4
187.14798	65.8
189.16357	58.3
190.16563	3.0
191.14279	17.3
191.17967	10.7
197.13280	4.3
199.14799	9.5
201.12688	3.0
201.16373	79.4
201.18234	4.4
202.16635	3.5
203.14246	3.9
203.17963	32.9
205.15843	100.0
207.17416	14.0
213.16324	8.4
215.14291	6.7
215.17924	9.9
217.15910	5.2
217.19516	4.8
219.17416	22.1
221.15302	12.5
223.16911	12.8
225.16380	3.9
227.17934	5.1
229.15845	4.9
233.19086	3.3
247.16902	16.6
249.18370	3.6
255.21028	2.9
265.17908	7.1
379.26721	2.8
381.19730	3.2
389.31909	6.9
395.33038	10.9
407.33099	68.8
408.32892	2.5
409.34338	3.8
425.34174	60.5
426.34296	3.1
435.32516	8.2
453.33990	35.4
471.30594	14.7
471.34848	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	471.3466
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
53.03941	3.7
53.23372	2.2
55.05494	9.9
57.03425	2.6
57.07066	4.8
57.75655	2.2
58.96782	2.1
65.03931	2.7
67.05495	19.8
67.35983	2.2
69.03397	2.4
69.07061	18.4
70.75875	4.9
71.04980	6.2
74.06103	2.3
75.94773	2.1
79.05484	16.1
81.07043	38.9
83.08619	11.5
85.02890	5.6
87.46005	2.1
91.05466	21.7
93.07035	38.0
95.04970	8.0
95.08595	55.4
95.48434	2.3
96.38863	2.6
97.06526	4.5
97.10148	3.6
105.07016	49.4
106.07410	2.5
107.04940	2.9
107.08582	69.3
108.08898	2.7
109.06508	4.9
109.10146	33.1
111.08071	3.9
117.06974	11.4
119.08571	80.7
121.06518	2.9
121.10125	52.2
123.08053	3.3
123.11705	13.2
124.22670	2.4
129.06937	2.6
131.08553	33.7
133.10112	62.4
135.08028	7.4
135.11647	24.8
137.13205	4.0
143.08536	6.7
144.09305	2.8
145.10106	69.9
145.11276	3.8
147.11673	38.7
149.09570	5.4
149.13239	18.1
151.11137	3.8
156.09277	2.5
157.10121	10.5
158.10876	3.8
159.11670	55.3
161.09561	2.6
161.13232	34.9
163.07445	2.8
163.11163	13.5
163.14818	21.6
170.10968	4.0
171.11662	12.9
173.09636	5.3
173.13240	30.1
175.11159	3.8
175.14815	38.8
177.12769	4.2
177.16388	27.5
179.08362	2.6
179.14291	2.8
183.11665	5.5
185.13252	12.4
187.14798	65.8
189.16357	58.3
190.16563	3.0
191.14279	17.3
191.17967	10.7
197.13280	4.3
199.14799	9.5
201.12688	3.0
201.16373	79.4
201.18234	4.4
202.16635	3.5
203.14246	3.9
203.17963	32.9
205.15843	100.0
207.17416	14.0
213.16324	8.4
215.14291	6.7
215.17924	9.9
217.15910	5.2
217.19516	4.8
219.17416	22.1
221.15302	12.5
223.16911	12.8
225.16380	3.9
227.17934	5.1
229.15845	4.9
233.19086	3.3
247.16902	16.6
249.18370	3.6
255.21028	2.9
265.17908	7.1
379.26721	2.8
381.19730	3.2
389.31909	6.9
395.33038	10.9
407.33099	68.8
408.32892	2.5
409.34338	3.8
425.34174	60.5
426.34296	3.1
435.32516	8.2
453.33990	35.4
471.30594	14.7
471.34848	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	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.2
51.55972	1.0
51.68611	1.0
53.03937	8.1
55.01868	4.8
55.02066	1.0
55.05501	19.0
57.03402	3.7
57.07043	0.9
65.03908	2.1
67.05494	50.5
67.73911	1.0
68.05830	1.0
69.03394	2.9
69.07060	11.7
71.04947	3.1
71.06106	0.9
71.06444	2.3
72.25566	0.9
73.06531	1.5
79.05482	65.3
81.03407	100.0
81.07044	45.9
83.04967	15.4
83.08607	20.0
85.02876	2.0
85.06518	2.4
91.05468	65.9
93.07032	50.6
95.04955	41.4
95.08593	24.6
95.32784	1.0
97.02834	3.5
97.06536	4.6
97.10132	5.0
99.08041	1.9
103.05417	1.3
105.04488	1.1
105.07012	48.0
107.04945	11.1
107.08585	20.1
109.06499	8.2
109.10146	7.8
111.04375	2.9
111.08063	6.9
113.05936	1.1
115.05405	3.1
117.06342	0.9
117.07000	11.4
119.04906	1.5
119.08566	34.1
121.06469	5.6
121.10125	13.3
123.08036	5.6
123.11656	2.0
125.05892	1.1
125.09548	3.1
128.06139	4.7
129.06985	23.7
131.08548	15.2
133.06490	4.6
133.10103	13.0
135.07962	3.2
135.11615	2.8
137.09583	1.4
141.06915	2.1
141.09018	1.4
142.07732	2.5
143.08536	10.2
145.06396	3.0
145.08990	1.2
145.10091	11.4
147.08023	6.5
147.11671	31.4
149.09601	4.5
149.13199	2.6
155.08464	3.0
156.09308	1.9
157.06427	1.5
157.10120	10.9
159.07909	1.1
159.11664	4.6
161.09549	4.0
161.13234	9.3
163.11174	1.9
163.14717	2.1
165.12617	1.8
167.08548	1.3
169.10052	1.3
171.10274	1.3
171.11659	19.9
173.09544	1.4
173.13168	1.9
175.11140	10.8
175.14731	1.7
177.12703	1.8
179.14192	1.3
181.10004	1.1
183.11642	1.1
185.09544	1.6
185.13121	2.1
187.11079	1.3
187.14708	3.5
189.11342	1.5
189.12737	9.6
189.16356	2.0
193.12215	27.2
197.13216	1.1
199.14708	1.3
201.12794	1.2
203.14215	1.5
203.17757	2.0
205.15770	3.3
207.11931	1.6
207.13777	22.3
211.14810	1.6
212.67734	1.0
213.12607	1.6
215.14128	1.1
217.12164	7.9
225.14668	3.3
229.15778	1.6
231.13751	1.3
249.14781	5.4
281.17279	1.5
296.03522	1.1
350.93735	1.0
353.24445	1.2
363.22867	2.1
381.24002	3.6
391.29749	1.2
399.25186	2.6
409.30859	1.8
415.02948	1.0
425.30490	1.5
426.26993	1.0
427.31750	3.7
437.30157	2.3
455.26535	2.0
455.31613	3.3
473.28607	88.1
474.29129	2.1
498.69681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3254
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
53.03931	1.1
55.01840	0.8
55.05503	3.9
57.07056	0.9
57.15085	0.7
67.05489	5.9
68.34984	0.6
68.75185	0.7
69.03413	1.7
69.07062	3.7
70.31673	0.9
70.31970	3.7
71.04984	1.1
79.05476	7.1
81.03399	2.7
81.07039	10.3
83.04980	2.5
83.08607	2.5
85.06541	1.5
91.05478	9.4
93.07033	10.9
95.04964	4.8
95.08595	10.5
97.06514	3.8
99.08073	6.0
103.97627	0.8
105.07009	15.0
105.07668	1.2
107.04933	1.0
107.08566	10.7
109.06492	3.9
109.10136	6.5
111.04446	0.8
111.08070	2.5
113.05959	5.3
114.69875	0.8
117.07005	3.1
119.08554	16.9
121.06484	3.0
121.10130	8.2
123.08047	3.5
123.11675	1.7
125.09601	1.3
127.07603	0.8
129.06967	2.5
131.08563	10.5
133.06506	2.0
133.10107	12.1
135.08054	5.5
135.11659	4.1
137.09622	1.7
142.07790	2.3
143.08542	5.6
144.09343	1.0
145.06479	1.3
145.10107	11.9
147.08052	8.1
147.11671	6.9
149.05983	1.3
149.09616	3.2
149.13243	1.8
151.07469	0.8
151.11169	1.2
155.08516	2.6
156.09332	1.1
157.10135	7.9
158.10829	0.9
159.08066	2.7
159.11659	13.5
161.09605	5.3
161.13231	5.1
163.07562	1.0
163.11195	2.3
163.14867	1.5
165.09206	0.9
167.10687	1.5
169.10170	2.3
171.08119	1.3
171.11696	5.4
172.08833	1.4
172.12439	1.2
173.09639	1.8
173.13235	11.7
175.11156	3.3
175.14821	4.9
177.12761	1.9
177.16443	1.3
182.10886	1.4
183.11707	5.5
185.09512	1.2
185.13272	4.4
186.10487	1.0
187.11195	2.5
187.14748	6.1
189.12718	3.0
189.16380	0.9
191.14200	3.7
193.12285	1.6
195.11807	0.9
197.09697	0.8
197.13255	3.1
199.11194	1.2
199.14821	2.8
201.12712	11.2
201.14471	0.9
201.16364	2.5
203.14264	6.6
205.12239	1.3
205.15871	2.8
207.13797	1.7
208.26112	0.8
209.13304	1.8
211.14873	2.4
213.12741	1.8
215.14281	5.2
217.12334	0.9
217.15929	2.0
219.13788	6.9
221.15393	3.0
223.14819	1.3
225.16547	0.8
229.15947	2.6
233.15410	2.9
237.16479	1.4
239.16309	1.7
243.17369	1.1
247.16983	1.0
259.16928	1.0
269.19070	1.0
324.62491	0.9
389.28537	1.6
401.27689	1.7
407.29828	1.4
409.26788	0.9
416.96356	0.9
419.29526	3.7
425.30472	3.3
437.30701	5.1
455.31741	8.7
473.32629	100.0
474.33081	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	473.3257
Annotation	Comnostin D
Peak:m/z	Relative Intensity
55.01851	0.4
55.05500	2.3
56.07610	0.3
57.03419	0.5
57.07059	0.5
59.97837	0.3
65.03925	0.6
67.05495	4.1
69.03410	1.1
69.07050	2.1
70.67510	1.1
71.05005	0.4
79.05486	3.8
81.03414	1.3
81.07048	5.7
83.04964	2.4
83.08606	1.3
85.02895	0.5
85.06552	0.5
91.05466	5.1
93.07030	6.5
95.04953	1.9
95.08594	7.9
96.08967	0.3
97.06511	1.1
99.08091	0.6
101.33920	0.3
103.05450	0.3
105.07015	9.6
107.04942	1.0
107.08582	9.9
109.06493	1.4
109.10146	4.2
111.04415	1.4
111.08073	0.9
113.05964	0.3
114.15296	0.3
115.05446	0.4
116.06287	0.3
117.06975	2.0
119.08562	12.3
121.06512	2.2
121.10125	5.0
123.08038	1.8
123.11683	0.9
125.09637	0.6
128.06248	0.8
129.06987	1.3
130.07774	0.4
131.08560	5.2
133.05560	0.6
133.06471	4.8
133.10109	6.1
135.08031	12.0
135.11676	1.9
137.09615	1.2
139.07507	0.5
141.06947	0.4
142.07796	1.0
143.08527	3.4
145.06485	1.0
145.10097	6.6
146.07265	0.4
147.08026	5.1
147.11667	4.6
149.05899	0.4
149.09607	3.0
149.13261	1.1
151.11159	0.8
153.09094	0.9
155.08507	1.5
156.09319	0.9
157.10129	4.1
158.10899	0.7
159.08037	2.2
159.11658	4.9
161.08267	0.6
161.09592	8.2
161.10915	0.5
161.13226	2.6
163.11127	0.8
163.14841	0.5
165.09090	0.3
167.08565	0.5
168.09377	0.4
169.10054	1.8
170.10910	0.5
171.07973	0.4
171.11644	3.3
173.09648	2.4
173.13232	4.9
174.10388	0.8
175.11165	7.2
175.14766	2.8
177.12755	0.7
180.09203	0.3
181.10056	0.5
182.10901	0.4
183.11610	1.8
185.09610	0.5
185.13202	2.9
186.10419	0.4
187.11195	1.4
187.14825	2.9
188.11905	0.5
189.12685	3.2
189.16409	1.4
191.14290	2.1
193.12212	0.8
195.11691	0.8
196.12447	0.4
197.13177	1.6
199.11166	1.0
199.14749	1.7
201.12704	2.3
201.16400	1.1
203.14291	15.3
204.14586	0.4
205.15903	0.8
207.13875	0.6
209.13290	0.9
211.14839	1.2
213.12756	0.5
213.16359	0.8
215.14362	1.8
215.17889	0.7
217.12405	2.2
217.15851	6.1
219.13792	3.0
221.15369	0.8
223.14894	0.4
225.16344	0.5
227.14343	0.6
227.17822	0.5
229.15800	1.5
233.15347	0.6
235.16870	0.4
239.16324	0.7
241.15901	0.6
243.17442	1.0
247.17004	0.5
253.19583	0.4
255.17455	0.6
257.19058	0.5
265.19284	0.4
269.18988	0.7
271.20435	0.5
283.19144	0.3
283.20657	0.3
289.21713	0.4
333.24197	1.3
337.21652	0.4
349.21646	0.4
385.23428	0.5
389.28403	0.6
391.30035	0.3
401.28442	0.9
407.29358	1.4
409.30667	0.3
419.29431	2.1
425.30457	34.1
426.30945	1.0
437.30338	3.5
455.31516	3.0
466.33008	2.0
473.32581	100.0
474.32983	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	473.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
53.22614	3.0
55.05507	18.7
57.07063	6.8
67.05507	22.5
69.03430	5.6
69.07064	21.1
69.27707	2.8
69.83860	3.0
70.32451	14.6
71.04999	5.8
75.21700	3.3
79.05492	23.9
81.03451	3.7
81.07053	54.4
83.04935	3.5
83.08617	13.5
85.02895	10.1
85.06541	9.9
91.05463	23.8
93.07029	45.3
95.04942	15.9
95.08597	65.9
97.06533	11.7
97.10187	4.7
99.08094	44.9
105.07027	53.5
107.05003	4.1
107.08585	55.8
109.06533	12.5
109.10140	40.4
111.08060	36.9
117.07037	10.7
118.13131	3.8
119.08578	65.3
121.06499	10.9
121.10120	44.6
123.08101	17.5
123.11710	15.0
125.09693	5.2
128.06212	7.1
129.07013	5.8
129.73914	3.3
131.08554	44.2
133.06480	6.1
133.10127	44.2
135.08054	19.1
135.11703	13.1
137.09633	10.1
137.13211	5.1
141.06984	5.9
142.07768	10.2
143.08569	29.3
145.04924	3.8
145.10101	48.6
147.08078	18.8
147.11688	44.3
148.08844	3.2
149.09624	14.3
149.13248	10.8
151.14809	3.6
153.06976	3.4
155.08527	15.8
156.09334	12.4
157.10135	41.0
159.07961	7.6
159.11714	40.7
161.09599	16.3
161.13260	17.9
163.11195	10.6
163.14758	7.1
165.09087	4.5
167.08574	7.0
167.10715	3.2
168.09340	7.4
169.10136	27.9
170.10925	8.0
171.11659	33.7
173.09618	9.2
173.13222	42.0
175.11208	11.8
175.14795	13.8
177.12848	5.7
181.10092	13.8
182.10838	7.0
183.11694	30.4
185.09615	4.3
185.13249	39.7
187.11128	7.9
187.14740	16.3
189.12775	14.4
189.16281	5.2
191.14276	8.6
193.10225	4.9
195.11627	7.7
197.13255	30.2
199.11118	5.5
199.14745	21.3
201.12752	21.7
201.16371	8.3
203.14317	33.2
207.11681	7.9
209.13248	13.9
211.14806	27.1
213.16391	9.6
215.14323	13.8
217.15855	14.0
219.11888	5.8
219.13861	10.4
221.13246	8.7
221.15375	11.5
223.14806	15.4
225.16411	12.1
227.14215	4.5
227.17886	4.3
229.15845	11.5
233.13177	4.6
235.14914	6.1
236.15639	4.1
237.16357	7.6
243.17546	6.0
249.16388	3.3
251.17990	13.3
253.19505	3.3
257.18927	5.7
261.16321	5.2
263.17975	9.1
265.19525	4.2
267.17386	3.8
268.25836	3.1
269.18942	31.4
275.17825	4.3
281.19022	10.8
283.20517	7.2
294.21478	7.1
299.20026	11.6
307.20602	4.4
315.21091	3.7
315.60855	3.2
333.22028	6.8
335.23584	3.4
347.23566	6.6
377.28531	4.1
389.28369	15.9
391.30115	5.5
401.28348	18.0
407.29358	16.4
419.29428	40.6
437.30524	57.7
455.31525	100.0
473.26080	6.3
473.32632	87.1
474.32910	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	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01873	2.7
55.05505	23.3
57.03413	3.3
57.07070	14.3
58.85538	1.5
59.04999	2.0
60.37464	1.5
67.05155	2.7
67.05497	30.0
68.04603	1.7
69.03423	9.4
69.07064	58.2
69.89572	10.8
71.04980	3.6
71.08613	4.8
79.05486	17.1
81.03409	5.9
81.07051	100.0
82.24935	1.6
83.04974	4.5
83.08617	29.9
84.08161	1.7
84.87801	1.7
85.02898	24.6
85.06536	11.6
87.04467	2.4
91.05473	15.1
93.07033	31.5
95.04974	6.9
95.08599	92.4
97.02895	6.2
97.06528	6.8
97.10157	15.8
98.20870	3.5
99.04472	4.2
99.08079	9.0
103.03860	2.3
105.07014	22.6
107.04931	2.4
107.08585	35.8
108.84421	1.8
109.06495	5.3
109.10148	58.1
111.04428	4.0
111.08063	10.3
111.11711	15.6
113.05978	3.4
113.09627	2.7
117.07017	5.2
119.08552	26.4
121.06482	4.9
121.10145	24.7
123.04484	2.2
123.08017	2.7
123.11700	34.7
125.09613	1.9
125.13254	12.3
127.03896	3.8
128.06319	1.5
129.05472	3.4
129.07008	3.1
131.08565	13.6
133.06479	1.8
133.10118	19.5
135.08031	5.4
135.11668	13.3
137.09602	3.1
137.13240	29.7
139.03860	2.9
139.11151	3.3
139.14815	1.8
142.07794	2.3
143.08525	8.0
145.04897	4.4
145.10123	16.8
147.08020	4.2
147.11684	11.0
149.06010	2.3
149.09625	4.4
149.13237	26.3
151.11183	1.9
151.14783	6.7
153.09071	2.3
155.08499	2.1
155.10655	2.1
155.14270	2.9
157.10135	6.3
159.11708	12.9
161.09595	5.0
161.13277	8.3
163.06032	2.1
163.11212	4.0
163.14804	14.3
165.09093	3.9
165.16388	4.5
167.10677	2.0
167.14308	12.7
169.10065	3.3
171.11653	7.5
173.09604	2.4
173.13249	15.0
175.11255	4.6
175.14818	6.2
177.09128	3.4
177.12747	2.6
177.16374	5.3
179.17960	3.4
181.10112	2.1
183.11719	4.4
185.13278	5.9
187.11147	3.0
187.14781	7.9
189.12798	4.4
189.16359	3.2
191.14304	5.2
191.17972	2.6
193.12257	4.5
197.09731	2.3
199.14859	5.1
201.12711	4.0
201.16333	3.2
203.14320	7.5
203.18141	1.9
205.15829	5.5
205.19586	3.2
209.13278	2.3
211.14850	3.9
213.16310	2.8
215.14302	3.0
215.17912	1.9
219.13759	11.6
219.21100	2.0
221.15308	3.3
227.18050	2.5
231.13733	2.1
233.15370	2.5
247.17001	2.1
253.14366	2.4
275.27359	6.8
293.28311	15.0
301.21591	1.9
315.33548	2.0
407.29327	6.0
419.30750	2.6
425.30215	8.4
437.30606	6.5
452.11548	2.1
455.31940	13.0
473.26236	2.3
473.32733	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	473.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.58410	1.7
55.01857	2.7
55.05503	25.2
57.03425	3.5
57.07064	14.8
61.02913	2.5
65.03933	2.1
67.05497	33.6
69.03423	8.7
69.07061	63.4
69.81760	3.5
69.82169	7.8
71.04973	2.5
71.08607	5.7
73.02905	2.4
79.05479	14.7
81.03399	5.6
81.07047	93.5
83.04961	3.8
83.08605	35.5
85.02898	25.0
85.06540	11.5
85.10158	2.3
91.05463	13.6
93.07032	33.4
95.04942	6.1
95.08596	100.0
97.02889	7.7
97.06506	6.2
97.10163	16.3
98.21464	3.0
99.08087	13.4
100.11236	1.8
105.07017	18.1
107.08586	30.7
109.02893	2.9
109.06490	6.0
109.10143	57.8
111.08070	9.2
111.11702	17.3
113.09539	1.8
115.03925	2.1
117.06986	4.7
119.08575	24.0
121.06482	4.1
121.10141	20.6
123.08057	4.6
123.11696	28.8
125.09672	2.5
125.13234	9.3
127.03893	4.7
127.07552	1.9
127.11190	1.5
129.06944	3.3
131.08551	12.5
133.04939	2.4
133.06500	2.7
133.10088	11.8
135.08046	7.4
135.11682	16.9
137.09564	3.1
137.13248	23.2
139.11122	2.1
139.14777	3.1
143.08543	7.0
144.09320	1.8
145.04921	6.2
145.06398	1.6
145.10110	11.6
147.08070	7.8
147.11676	11.2
147.89433	1.6
149.05969	2.0
149.09689	3.7
149.13237	26.2
149.31276	1.7
151.07579	1.8
151.11179	2.0
151.14790	12.4
153.12724	3.2
155.08540	3.2
156.09299	1.8
157.10110	7.2
159.08060	2.6
159.11685	13.8
161.09550	3.7
161.13242	9.1
163.05978	2.1
163.11203	2.5
163.14761	9.8
165.09087	5.5
165.16405	3.6
167.14316	5.8
169.10114	3.7
169.15956	2.0
171.11597	5.8
173.09567	1.9
173.13242	10.4
175.11183	3.6
175.14792	6.9
177.12773	1.9
177.16359	4.4
179.17876	3.4
183.11676	4.8
185.09593	1.7
185.13252	7.3
187.14803	6.8
189.12784	2.5
189.16353	3.1
191.14276	4.4
193.23318	1.9
197.13245	3.1
199.14792	3.1
201.12726	8.8
201.16307	2.3
203.14343	7.9
209.13206	3.2
211.14774	2.9
215.14334	3.6
217.15932	2.1
219.13747	3.6
219.21036	2.2
221.15378	2.5
223.14799	2.1
223.17010	1.7
233.15448	2.9
237.22191	2.6
249.25847	2.2
269.18924	3.1
274.16232	2.5
275.27136	8.5
281.28531	1.8
293.25366	2.0
293.28345	20.4
311.29361	5.4
353.18173	1.8
377.30618	1.9
401.30313	2.3
407.29916	2.0
419.30005	3.6
425.30020	2.0
437.30502	7.5
455.31589	9.9
473.32700	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05512	5.8
57.03421	2.1
57.07064	2.2
58.31396	2.2
67.05490	8.5
69.07069	9.9
71.63694	3.2
71.64054	2.6
72.33731	1.9
79.05482	6.5
81.07063	16.6
83.08622	5.9
91.05486	9.3
93.07047	16.0
95.08605	33.1
97.10123	2.7
105.07018	15.9
107.08585	32.8
108.49579	2.1
109.10146	18.8
115.35608	2.0
119.08577	28.9
121.10132	22.9
123.08088	4.0
123.11710	8.2
131.08572	8.3
133.10126	26.1
134.06880	2.9
135.11702	16.2
145.10133	13.9
147.11673	22.9
149.13232	11.4
151.11131	2.2
157.10074	3.0
159.11696	14.1
161.13246	12.3
163.11160	2.3
163.14824	9.8
171.11673	6.0
173.13219	10.9
175.14836	10.4
177.16418	10.2
185.13229	2.5
187.14763	13.9
189.16365	28.6
191.17935	5.1
193.15939	3.1
199.14874	4.9
201.16345	21.1
203.17908	23.6
205.15869	26.8
207.17415	20.7
213.16437	4.2
215.17955	9.2
219.17447	3.4
229.19434	2.7
241.19617	2.9
243.21054	2.9
247.16930	8.9
249.18478	4.9
255.21109	5.9
257.22711	2.6
269.22562	2.7
301.21796	5.1
301.25888	2.5
315.23322	2.6
331.26315	5.6
357.28021	3.5
391.33691	4.7
409.34583	14.9
427.35751	100.0
428.35950	3.5
437.34302	17.7
455.34991	8.8
473.34494	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	473.362
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
52.98998	1.9
55.05507	8.5
55.32859	2.1
55.33681	2.0
67.05495	5.6
68.91886	2.1
69.07051	8.6
70.64699	4.2
70.65093	4.4
70.71255	2.0
79.05497	7.2
81.07045	12.8
83.08622	7.0
90.31093	2.0
91.05480	6.8
93.07027	12.1
95.08589	37.5
105.07039	13.4
107.08582	44.5
109.10167	20.2
119.08564	35.9
121.10133	32.2
131.08575	3.6
133.10106	34.7
135.11670	11.9
145.10095	24.0
147.11676	19.8
149.13268	7.6
153.09154	2.2
158.06064	2.1
159.11659	18.8
161.13217	13.7
163.11188	17.0
163.14825	7.0
163.17532	2.1
173.13319	6.2
175.14806	10.2
177.16383	19.1
187.14798	39.3
189.16362	56.1
191.17967	3.1
201.16382	8.0
203.17932	54.6
205.15849	100.0
205.19505	6.9
207.17529	11.1
213.16441	4.5
215.17978	3.3
221.18817	2.6
223.16930	7.6
225.16533	2.6
249.18530	17.5
295.24182	4.1
313.25381	6.6
365.02295	2.3
391.33380	4.7
409.34586	24.7
427.35858	3.4
437.34103	33.4
455.35107	7.6
473.35947	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	473.362
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
55.05511	3.9
67.05488	9.1
68.83536	2.3
69.07059	11.6
69.35408	2.0
69.53702	14.7
69.54118	5.9
79.05482	7.2
81.07043	14.8
83.08602	6.8
91.05463	4.1
93.07040	10.1
95.08595	33.2
101.75233	2.1
105.07019	15.0
105.11253	1.9
107.08580	36.5
109.10134	16.2
119.08574	26.0
121.10123	26.0
123.11701	4.6
131.08604	5.0
133.10124	23.5
135.11678	13.1
145.10109	13.6
147.11691	15.3
149.13249	8.7
159.11656	7.6
161.13216	10.5
163.11145	17.4
163.14828	7.6
166.08907	2.1
173.13229	4.6
175.14793	16.2
177.05121	2.2
177.16365	27.9
179.14326	3.1
185.13211	2.7
187.14738	15.7
189.16362	48.2
191.17892	2.7
201.16397	7.2
202.77272	2.1
203.17921	27.6
205.15845	100.0
205.19470	4.8
207.17403	20.2
213.16444	2.5
215.17902	3.7
235.16679	2.7
249.18463	8.9
285.25693	3.9
295.24069	4.2
313.25253	6.7
349.28455	2.5
409.34644	41.3
427.35767	5.4
437.34048	13.9
455.34976	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	473.3625
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
55.05508	6.4
61.10322	1.8
66.03655	2.0
67.05504	7.7
69.07069	11.4
70.54217	6.7
79.05489	7.5
81.07060	20.1
83.08614	6.5
84.67479	2.1
91.05489	5.6
93.07042	19.6
95.08601	43.3
97.10179	3.6
105.07033	20.0
107.08582	36.1
109.10155	25.2
111.08112	2.4
111.13522	1.9
119.08580	43.9
121.10139	32.4
123.11685	9.2
127.79803	1.9
131.08585	5.4
133.10120	41.9
135.08000	3.6
135.11696	14.3
139.07494	2.0
145.10126	30.4
147.11687	25.6
149.09558	2.3
149.13254	14.4
153.09065	2.8
159.11703	32.1
160.12364	2.5
161.13271	21.2
163.11208	5.1
163.14821	17.3
167.10663	3.4
172.12267	1.9
173.13281	5.6
174.43810	2.1
175.14835	15.8
177.12813	3.0
177.16382	27.1
187.14819	44.7
189.16379	52.5
190.95860	2.1
191.17981	8.8
193.12379	2.7
201.16345	11.9
203.17953	100.0
205.15855	47.5
205.19528	7.3
207.17531	9.7
212.35472	2.1
213.16345	6.1
215.18005	3.7
217.19424	3.1
221.15364	2.6
223.16888	6.1
227.17885	3.5
231.17491	3.8
231.21205	2.4
234.54460	2.2
235.16948	3.5
241.19490	3.0
249.18497	20.8
310.82593	2.1
391.33539	8.4
409.29462	3.9
409.34644	57.6
427.35657	7.9
437.34164	38.6
438.34634	2.1
455.35031	8.5
473.29922	2.1
473.36398	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	473.3622
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.47505	0.7
53.03928	1.1
55.05509	10.8
56.96521	0.6
57.07065	1.6
62.16204	0.7
65.03920	1.6
67.05496	18.5
69.07066	9.5
69.40918	0.7
71.04961	0.8
71.62145	1.2
71.62510	0.8
77.03954	0.6
79.05482	11.0
80.98907	0.8
81.07050	20.5
83.08614	3.7
85.06521	1.2
85.48755	0.7
91.05468	18.1
91.06001	1.3
93.07035	13.1
95.04956	1.6
95.08595	17.2
95.09526	0.7
97.06504	2.5
97.10157	1.5
99.04453	0.7
99.08069	0.9
105.06295	1.3
105.07017	23.8
107.08575	9.6
109.06474	1.2
109.10149	10.7
117.07007	6.9
119.08567	21.5
121.06507	1.1
121.10120	6.6
123.08075	1.1
123.11729	2.6
129.07043	2.3
131.08562	11.9
133.10115	15.6
133.11063	1.1
135.11661	4.7
137.13243	1.2
143.08569	2.7
145.10097	10.0
147.11673	10.8
149.13254	2.1
155.08562	1.6
155.71068	0.7
157.10149	3.3
159.11662	7.8
161.09669	1.0
161.13232	5.7
163.14891	1.1
169.10075	1.3
171.11720	2.8
173.09581	0.8
173.13257	5.9
175.11115	0.8
175.14835	2.9
177.16379	1.4
181.10149	0.8
183.11693	1.6
185.13258	2.3
187.14842	3.1
189.12712	0.7
189.16405	1.2
191.14380	0.9
195.11783	1.4
197.13284	1.1
199.14810	1.7
200.20117	1.2
203.14339	0.9
203.17921	1.7
205.15875	1.6
217.15900	0.7
235.16969	0.7
247.17015	1.0
249.18587	1.3
256.26492	1.0
271.20651	0.8
275.20108	1.7
285.22101	1.6
289.21722	1.3
299.23685	0.9
303.23218	1.7
310.27344	0.8
317.24744	1.4
330.69138	0.7
331.26285	1.8
378.92014	0.8
419.33350	1.4
437.34430	7.2
455.35669	7.1
473.36334	100.0
474.36597	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	474.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.3
53.03945	1.4
55.01868	0.7
55.05262	0.4
55.05508	6.7
56.56903	0.3
57.03435	6.5
57.07059	1.0
62.06071	0.8
65.03924	0.8
67.05500	15.5
68.05833	0.5
69.03416	0.3
69.06712	0.4
69.07066	6.6
71.04983	0.8
71.08615	0.3
71.44174	0.6
79.05489	19.9
81.03403	0.8
81.07053	14.0
82.52373	0.3
83.04973	1.1
83.08612	2.2
85.06530	0.9
91.05476	19.1
93.07039	22.4
93.74149	0.3
94.07381	0.3
95.04966	3.1
95.08599	10.3
97.06510	1.2
97.10162	0.8
97.61147	0.3
98.06049	0.4
98.98446	0.8
99.08092	0.3
103.05528	0.4
105.04513	0.4
105.07023	16.2
106.07379	0.5
107.08585	10.4
108.08869	0.3
109.06513	1.1
109.10152	2.7
111.08081	0.5
115.05434	0.4
117.07008	4.6
119.08572	11.9
121.06512	0.6
121.10141	6.7
122.10482	0.3
123.08109	0.7
123.11692	0.8
124.01534	0.4
129.05440	0.6
129.07010	2.0
130.07762	0.3
131.08568	5.2
133.10124	8.3
135.08070	0.4
135.11687	3.8
135.97433	0.2
137.09596	0.5
141.07063	0.3
142.07726	0.3
143.08586	1.6
145.10123	3.9
147.11690	5.0
149.09630	0.4
149.13240	1.9
151.11176	0.3
155.03442	0.3
155.08488	0.3
157.10135	1.7
159.11690	3.1
161.09633	0.6
161.13231	3.2
163.14781	0.8
169.10081	0.5
170.73326	0.4
171.11665	1.9
173.13312	2.2
175.14813	1.2
185.13281	1.2
187.14824	0.7
189.12898	0.4
199.14803	0.9
203.14426	0.4
216.06352	0.8
217.19475	0.4
241.19490	2.9
243.21254	0.4
259.20569	3.1
275.19849	0.4
281.91922	0.3
302.24731	1.3
315.23148	2.1
333.24210	100.0
334.24567	2.4
474.26392	0.4
474.33569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51529	1.7
56.96560	26.1
60.63659	1.6
69.03429	2.5
70.34679	1.7
71.60822	3.8
72.08128	2.4
77.28284	2.1
81.03397	2.2
84.96026	4.9
85.02895	14.2
89.03911	2.7
91.05463	5.2
97.02877	7.5
97.96786	2.3
98.97575	88.5
107.04927	2.0
110.97594	6.8
116.98611	78.8
117.03355	4.1
119.04911	6.1
123.04407	3.5
127.03899	5.9
128.98592	19.6
131.00169	2.4
134.99651	59.8
135.04413	4.6
137.05969	4.8
137.11966	1.8
139.03925	2.7
140.00211	4.1
143.00110	3.1
145.02771	2.9
146.99637	20.2
147.04396	17.5
149.01186	4.9
153.00719	8.7
158.01201	2.4
158.99646	21.3
161.01198	9.1
162.99045	2.8
163.03903	27.9
165.00697	6.3
170.99713	2.1
177.00696	38.2
189.00711	6.7
195.01685	4.5
197.01236	3.5
200.02321	2.7
201.00626	2.0
211.02817	2.3
211.99857	5.3
213.00587	2.9
219.01701	25.7
226.01498	3.1
227.02264	4.9
235.02870	11.6
237.00456	3.6
237.02806	66.9
238.01521	8.0
241.03749	11.4
245.03322	5.4
251.02249	6.4
253.03770	18.5
255.01535	3.6
255.03880	7.6
256.02322	8.9
259.04843	5.2
259.08508	1.7
260.02124	2.3
260.04504	4.7
269.03308	25.1
271.04886	13.2
273.02914	3.1
277.03879	13.5
287.04462	6.1
294.06064	1.7
295.04837	23.1
296.05417	1.9
311.04333	16.9
313.05841	7.1
337.05930	2.9
385.08231	2.9
397.08014	3.0
415.09073	100.0
416.09698	1.9
433.10126	86.1
456.11807	5.3
459.10812	1.9
475.11102	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	1.1
51.02366	1.4
53.03933	7.2
53.88960	1.3
55.01857	4.0
55.05500	25.3
57.03433	4.9
57.07046	3.2
59.04984	1.1
65.03922	3.9
67.05494	88.8
68.05811	1.3
69.03424	1.9
69.06706	1.5
69.07056	21.6
69.34048	10.3
71.04961	4.0
73.06542	1.8
77.03889	1.0
79.05477	81.2
81.03405	10.3
81.07043	93.2
82.07364	1.1
83.04966	14.6
83.08608	14.0
85.06068	1.0
85.06525	5.0
91.05467	61.3
92.05772	1.3
93.07027	87.4
95.04958	26.4
95.08591	38.3
96.08907	1.1
97.06508	12.1
97.10129	3.1
98.06055	5.3
98.20808	2.8
98.21503	2.2
99.08083	2.3
103.05463	2.0
103.27582	1.0
105.04504	1.9
105.07011	40.1
106.07284	1.3
107.04927	7.8
107.08576	36.4
109.06483	8.3
109.10130	8.2
111.08055	5.3
113.09648	1.2
115.05359	1.4
117.07005	11.9
117.07754	2.0
118.99548	1.1
119.08559	22.2
120.59566	1.1
121.06463	4.0
121.10114	18.9
123.08060	5.0
123.11683	2.6
125.09569	1.4
128.06230	2.2
129.06982	13.9
131.08575	8.7
133.06509	1.2
133.10098	15.8
135.08078	2.3
135.11676	7.6
139.11205	1.3
142.07841	0.9
143.08548	9.2
145.10109	9.0
147.08070	2.4
147.10466	1.6
147.11662	28.9
148.06146	0.9
149.09583	1.3
149.13231	23.4
157.10048	1.6
159.11647	12.1
161.09631	4.8
161.13217	12.7
169.10059	1.4
171.11659	23.7
173.13210	1.5
177.12743	5.7
185.13144	1.0
187.14680	1.2
189.12698	11.5
195.13760	7.2
207.11859	1.8
207.13774	31.7
213.14763	1.8
225.14821	7.8
251.16277	1.7
262.78430	1.0
269.17249	1.0
304.26306	45.8
304.29767	2.4
335.25824	2.8
457.32993	4.4
475.30392	100.0
476.31052	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	475.305
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
51.02365	1.8
53.03926	5.3
55.01856	5.2
55.05262	2.4
55.05504	25.0
57.03414	6.3
57.07048	3.2
65.03902	6.3
67.05496	86.6
69.03415	3.1
69.06711	2.4
69.07053	28.1
69.63352	1.5
69.63673	12.4
71.04959	5.1
73.06557	1.7
77.03906	1.7
79.05480	87.3
81.03413	10.7
81.07044	92.8
83.04974	19.1
83.08600	15.4
85.06516	6.0
91.05466	62.0
93.07029	86.9
95.04443	2.0
95.04962	28.8
95.08590	39.0
97.02857	2.7
97.06524	11.4
97.10128	3.5
99.08060	6.2
105.04491	2.6
105.07016	42.7
107.04937	5.6
107.08582	44.6
109.05858	1.5
109.06473	8.1
109.10147	10.8
109.59086	1.4
111.04426	2.0
111.08070	6.9
115.05429	2.8
116.03006	1.5
117.06989	10.6
119.08563	29.7
121.06454	5.3
121.10129	22.4
123.08083	7.5
123.11716	3.1
125.09660	2.0
127.07534	2.4
128.06157	2.8
129.06978	12.4
131.08565	11.2
133.10115	16.4
135.08015	3.6
135.11636	9.1
137.09689	1.7
143.08565	8.6
145.10092	16.0
147.07997	2.4
147.11668	29.4
149.09625	2.5
149.13232	19.3
153.09129	1.8
156.09280	1.9
157.10138	2.9
157.20454	1.5
159.11661	16.1
160.11328	1.6
161.09566	4.2
161.13245	13.0
163.11136	1.6
163.14796	2.3
169.10078	2.8
171.11655	26.4
173.13210	3.7
175.14725	3.2
177.12698	7.5
185.13188	2.5
187.11230	2.3
187.14769	3.6
189.12715	13.8
195.13742	5.0
205.15891	2.9
207.13773	31.3
213.16287	2.1
225.14749	5.7
243.17470	2.1
269.17419	2.7
273.74039	1.5
323.89841	1.8
376.25833	2.0
421.31073	3.1
439.31790	4.1
446.83545	2.0
457.33307	9.9
471.40073	1.6
475.30344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64736	1.0
51.02378	1.0
51.38411	1.0
52.60882	0.8
53.03943	4.9
55.01857	3.2
55.05505	26.9
57.03439	5.6
57.07060	2.8
65.03919	4.0
67.05498	79.9
68.05804	0.9
69.03416	1.0
69.06712	1.3
69.07063	23.3
71.01373	0.9
71.04988	5.0
71.63645	1.3
73.06527	2.2
77.03902	1.5
79.05486	80.4
81.03411	9.4
81.07049	85.3
83.04973	13.9
83.08611	13.4
85.06541	5.3
91.05473	54.9
92.05784	0.9
93.07035	77.9
95.04959	23.7
95.08596	32.7
95.09058	0.6
97.02890	1.5
97.06529	9.9
97.10164	2.7
98.06025	3.8
99.08080	2.6
105.04490	1.7
105.07018	32.5
107.04946	6.2
107.08587	37.0
109.06493	9.2
109.10140	8.1
110.80471	1.1
111.04443	0.9
111.08044	5.1
113.06024	1.1
115.05367	1.0
117.07023	10.2
119.08566	19.7
121.06512	3.0
121.10123	16.4
123.08069	5.0
123.11672	2.0
127.07583	1.4
128.06181	2.6
129.06989	11.3
130.07866	1.0
131.08551	8.4
133.10115	11.6
135.08022	2.0
135.11678	6.5
139.11214	1.6
141.09033	1.2
143.08533	7.0
145.10110	9.2
147.08025	1.8
147.11674	28.7
148.11969	1.2
149.13242	19.0
151.11198	1.6
156.09361	1.5
159.11667	11.0
161.09598	3.1
161.13255	10.9
163.11122	1.4
163.14935	1.0
170.95586	1.3
171.11674	24.2
177.12675	4.7
179.14401	1.5
183.11644	1.0
185.13214	1.6
189.12737	9.9
195.13774	7.9
205.15872	1.6
207.13803	34.0
208.14156	1.1
213.14743	1.2
225.14774	5.9
225.52826	0.9
227.12659	1.1
251.16447	2.1
263.16235	1.1
269.17429	1.7
281.17535	1.9
304.26334	43.0
305.64651	1.0
335.25604	3.0
380.44113	0.9
394.42303	1.1
395.62283	1.0
421.30658	1.0
457.33173	2.3
475.30426	100.0
476.30832	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03935	6.4
55.01857	5.3
55.05257	1.4
55.05505	22.1
57.03431	5.3
57.07054	2.6
58.37333	0.8
59.04962	1.2
65.03927	4.7
65.51960	0.9
67.05497	79.3
69.03413	1.8
69.07059	24.2
71.04984	5.0
71.61909	1.7
73.02888	1.1
73.06544	1.0
79.05482	78.0
81.03412	10.5
81.07047	82.8
83.04968	14.8
83.08608	12.9
85.02871	1.4
85.06544	4.2
91.05467	61.4
93.07034	76.3
95.04956	24.7
95.08591	34.4
97.02869	1.2
97.06517	10.4
97.10150	3.4
98.06061	1.3
99.08072	2.8
103.05463	1.4
105.04484	2.6
105.07017	38.4
107.04944	7.9
107.08576	35.7
109.06517	8.4
109.10116	7.1
111.08072	5.9
113.05951	0.9
113.09664	1.2
117.07002	12.5
119.08561	20.0
121.06485	4.0
121.10124	16.8
121.63500	0.9
123.08039	4.6
123.11674	3.1
125.09568	1.7
127.07578	1.4
128.06206	2.4
129.06989	11.8
131.08545	9.4
133.06439	1.7
133.10121	12.9
134.10463	1.0
135.08032	3.7
135.11697	9.9
137.09555	1.4
139.11165	1.3
143.08563	7.4
145.06491	0.9
145.10075	8.9
147.08002	2.3
147.11667	26.0
148.11998	1.1
149.09598	1.5
149.13237	19.0
151.11176	1.1
155.30980	0.8
157.10074	1.4
159.11678	12.9
161.09625	4.0
161.13226	10.6
163.11076	2.1
171.11662	21.8
173.13231	2.5
173.86784	0.9
175.14928	0.9
177.12737	4.8
179.14322	1.0
183.11688	1.1
185.13254	1.1
187.14789	1.4
189.12703	9.4
195.13756	8.0
207.13780	31.9
213.14758	1.2
217.15816	0.9
225.14700	5.8
227.12782	1.4
269.17307	1.1
304.26282	16.6
347.23749	1.0
438.74609	0.9
439.31903	1.2
457.28625	1.5
457.33994	1.3
475.30487	100.0
476.30795	4.4
480.35797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01866	5.5
55.05267	1.7
55.05508	23.8
57.03428	6.2
57.07060	2.0
59.68749	1.1
64.11459	1.1
65.03922	4.3
67.05497	81.5
69.03405	2.2
69.06718	1.9
69.07065	26.2
69.48887	10.7
71.04972	5.7
73.02908	1.2
77.03907	1.5
79.05484	92.2
81.03419	8.5
81.07047	93.2
83.04984	13.7
83.08606	14.6
85.02908	1.6
85.06541	5.5
91.05470	64.1
93.07033	79.8
95.04961	25.8
95.08597	43.2
97.06516	8.8
97.10159	3.8
99.08089	3.3
101.28692	1.2
105.04523	2.3
105.07017	39.0
107.04926	6.8
107.08585	38.0
109.06506	6.5
109.10147	8.1
111.08054	7.3
113.09647	1.2
115.05432	1.8
117.07021	13.0
119.08566	26.1
121.06474	4.5
121.10117	17.7
123.08042	6.0
123.11690	3.2
125.09621	1.8
127.07548	2.2
128.06192	3.1
129.06992	13.5
131.07623	1.9
131.08530	10.8
133.10109	16.9
135.08028	3.0
135.11687	8.8
137.09608	1.6
139.07523	1.2
143.08507	6.5
144.13696	1.2
145.10103	11.4
147.08022	3.2
147.11671	31.6
149.13240	25.3
149.14365	2.1
151.11147	1.4
155.08557	1.6
157.10126	2.5
159.11682	13.6
161.09601	3.9
161.13239	12.9
163.11194	1.6
163.14787	1.9
165.12753	1.5
169.10104	2.0
171.11684	26.4
173.13240	2.2
175.11203	2.0
177.12729	5.0
177.16371	3.3
179.14244	1.9
183.11900	1.2
185.13286	1.3
187.14954	2.5
189.12732	12.6
189.16405	1.3
190.16797	1.7
191.17914	1.3
195.13715	6.9
197.96918	1.1
201.16438	2.6
203.17915	2.0
205.15849	1.7
207.13774	32.0
217.15834	1.3
225.14836	5.1
249.18504	7.5
269.17270	1.3
335.25864	2.5
383.25412	1.8
409.34894	2.0
411.35071	3.7
439.35718	5.7
457.29443	2.5
475.30484	100.0
476.30939	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.01851	3.7
55.05256	1.8
55.05504	21.7
57.03431	5.0
57.07075	2.2
65.03939	4.9
67.05497	78.4
69.03397	1.5
69.06713	1.7
69.07063	25.2
70.14511	4.0
71.04990	4.9
73.06538	1.5
77.03916	1.2
79.05482	73.2
81.03412	8.5
81.07047	87.9
83.04971	13.3
83.08616	13.7
85.06518	4.3
91.05470	55.1
93.07033	83.9
94.07346	1.0
95.04960	22.1
95.08592	35.4
97.06514	10.8
97.10141	2.6
99.08083	3.3
102.62814	0.9
103.05434	1.0
105.04504	1.4
105.07023	38.4
106.07347	0.9
107.04961	6.6
107.08580	31.7
109.06506	5.5
109.10142	6.1
111.04387	1.1
111.08073	6.7
115.05434	1.0
117.07011	11.1
117.89880	1.0
118.06516	0.9
119.08570	18.1
121.06493	3.4
121.10130	14.1
123.08055	4.7
123.11686	2.0
128.06195	1.4
129.06990	12.7
131.08551	10.7
133.10107	15.7
135.08037	2.1
135.11687	6.4
143.08562	6.3
145.10132	6.9
147.08037	2.4
147.11664	29.0
149.09637	1.2
149.13237	22.7
154.94176	1.1
155.08311	1.1
156.09267	1.3
159.11673	8.6
161.09598	4.1
161.13242	10.4
163.11186	1.7
171.11674	22.0
172.02432	1.0
172.95203	1.8
177.12750	4.2
179.14320	1.5
186.02614	0.9
189.12726	11.9
190.96263	1.5
191.17874	1.0
195.13757	7.6
207.13780	30.1
213.14743	2.0
225.14816	6.0
228.97758	1.1
251.16307	1.6
263.16266	1.2
280.63684	0.9
281.17496	2.0
383.25739	1.8
401.26517	1.5
470.87665	1.0
475.19730	3.8
475.30493	100.0
476.30768	3.4
480.49887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37465	2.1
52.92094	1.8
53.03930	6.6
54.02137	1.8
55.01858	2.4
55.05503	20.9
57.03407	7.0
57.07062	3.0
65.03922	4.1
67.05499	67.4
69.06770	2.1
69.07060	20.1
71.04970	3.5
71.61912	2.2
71.62331	3.7
79.05054	4.0
79.05487	62.8
81.03401	7.5
81.07050	66.4
83.04942	9.5
83.08604	11.8
85.06534	2.9
91.05471	49.4
93.07029	64.6
95.04521	1.7
95.04959	17.4
95.08595	29.8
97.06536	11.3
97.10101	3.7
105.07012	29.9
107.04932	6.2
107.08586	32.6
109.06490	3.9
109.10112	7.6
111.08058	5.0
117.06991	8.8
119.08576	21.2
121.06454	4.4
121.10111	16.6
123.08022	4.2
123.11671	3.7
128.06178	2.4
129.06949	11.9
131.08594	11.4
133.10118	14.4
135.11647	8.9
143.08548	3.4
145.10065	10.9
147.07965	2.8
147.11679	24.6
149.13251	19.2
156.09370	2.4
157.10114	3.0
159.11681	8.3
161.09599	4.6
161.13232	9.1
171.11679	21.2
177.12637	3.2
189.12695	8.5
195.13765	9.0
207.13800	23.2
214.99889	2.1
225.14806	5.0
281.17670	2.5
351.70236	2.5
365.24988	2.4
457.29129	3.1
475.30469	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3415
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03941	6.1
55.01861	5.7
55.05504	33.9
57.03408	6.7
57.07061	7.7
67.05502	43.9
69.03418	9.3
69.07054	24.2
71.96008	4.6
79.05473	38.9
81.03416	23.5
81.07049	68.2
83.04974	58.5
83.08607	11.4
84.82524	3.9
85.02897	10.0
85.06544	8.0
87.05524	4.4
91.05477	34.5
93.07035	68.8
95.04955	20.2
95.08591	78.6
97.06500	7.5
97.10175	7.4
98.21121	24.7
99.08100	10.4
105.07017	59.2
107.04987	10.9
107.08591	86.0
109.06542	7.3
109.10145	37.5
111.04440	13.4
111.08085	17.4
117.07012	15.6
119.08568	59.5
121.06512	10.6
121.10116	51.9
123.08060	10.9
123.11694	14.6
125.09614	14.3
129.07018	8.2
131.08546	32.7
133.10092	46.9
135.07973	10.0
135.11676	26.7
137.09650	10.8
143.08534	16.0
145.10120	48.2
147.08060	11.2
147.11670	37.1
148.08736	4.0
149.05934	6.6
149.09581	16.1
149.13258	17.7
151.11142	8.2
156.09348	5.5
157.10106	29.3
159.08076	7.0
159.11693	38.3
161.09625	15.7
161.13214	23.1
163.11131	21.4
163.14825	17.6
165.09090	5.9
169.10135	11.8
171.11665	15.1
173.09604	9.2
173.13242	28.4
175.11200	8.5
175.14792	23.7
177.12772	6.9
177.16339	7.9
179.10626	4.6
181.12259	4.8
183.11707	7.7
185.13219	10.8
187.14807	20.2
189.12712	13.8
189.16374	13.3
191.14290	9.4
193.12221	11.9
195.11658	5.4
197.13365	6.1
199.11127	5.5
199.14842	14.2
201.12729	13.8
201.16443	12.1
203.14311	32.3
205.15868	23.7
205.62195	4.7
207.13828	9.9
209.13248	8.0
211.14830	6.3
215.14352	8.5
215.17946	8.8
217.15897	7.9
219.13838	42.4
219.17284	5.4
221.15359	6.9
223.17004	5.1
227.12752	21.1
229.65282	4.7
233.15376	6.0
235.16931	10.6
243.17377	5.9
267.17413	4.5
339.26749	12.4
383.22183	5.1
393.31216	9.2
403.29898	16.0
409.30829	15.0
421.31042	48.5
427.31989	33.7
439.32089	100.0
457.33151	46.7
475.25998	26.9
475.34103	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	475.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.05302	2.1
55.05508	25.5
57.03421	4.2
57.07059	9.6
60.88757	1.9
65.03918	3.7
67.05496	43.3
67.36428	2.2
69.03416	8.7
69.07065	20.5
70.73412	3.4
70.73780	7.7
71.04976	4.1
77.91918	1.9
79.05484	25.3
81.03400	4.4
81.07047	52.1
83.04976	28.3
83.08620	11.4
85.02867	4.0
85.06518	4.3
91.05460	23.6
93.07031	61.2
95.04978	10.9
95.08595	94.6
97.06518	9.3
97.10155	4.8
99.08067	7.6
103.05426	2.6
105.07018	78.5
107.08582	84.0
109.06520	14.9
109.09444	4.2
109.10147	71.0
111.04433	20.2
111.08057	9.4
117.06992	10.8
119.08565	98.3
121.06484	15.2
121.10131	57.6
121.10999	3.3
121.34847	1.8
123.08079	10.9
123.11662	11.4
125.09566	3.4
127.07549	2.6
128.06146	2.6
129.06964	4.8
131.07576	2.5
131.08554	48.4
133.06451	3.0
133.10117	71.5
135.08055	20.0
135.11691	26.6
137.09610	15.3
137.13243	5.6
139.07533	2.8
142.07745	5.7
143.08565	16.2
144.09329	3.6
145.10106	46.3
147.08032	17.2
147.11667	40.1
149.09616	15.1
149.13219	17.4
151.11133	5.2
155.08487	5.2
156.09326	7.1
157.10118	23.5
158.10886	4.7
159.08078	2.2
159.11687	39.8
161.09554	14.6
161.13251	29.5
163.11177	14.3
163.14796	23.5
165.09065	4.6
165.12740	3.7
167.10609	4.4
169.10135	5.8
170.10896	2.8
171.11671	23.5
173.09627	3.1
173.13246	67.6
175.11240	11.9
175.14809	62.2
177.12753	6.2
177.16389	7.9
179.10597	4.5
183.11655	9.4
185.13252	22.6
187.11177	5.1
187.14825	25.6
189.12831	11.5
189.16386	18.8
191.14272	46.1
193.12186	6.1
193.15884	3.4
195.11670	2.8
195.13605	2.7
197.13216	10.4
197.67163	2.0
199.14838	21.8
201.12721	6.6
201.16327	5.7
203.14294	56.0
205.15881	19.8
207.13736	5.8
209.13333	3.6
209.15198	2.9
211.14778	5.5
213.16284	10.8
215.14339	6.7
215.17958	4.3
217.15868	38.9
219.13844	2.4
219.17439	3.1
221.15337	56.9
223.14856	3.4
223.16945	4.7
225.16295	4.3
227.14423	2.4
227.17874	5.6
229.15739	4.9
231.17377	5.6
233.15297	4.6
235.16888	57.4
237.16309	4.0
239.14291	2.7
239.16420	9.5
243.20963	2.9
245.15547	2.4
249.18509	6.0
263.20038	3.6
265.19321	3.1
267.21066	3.2
289.21744	2.2
299.19989	2.7
303.23123	3.3
304.26254	2.8
313.21582	5.2
327.23190	6.2
329.20953	2.7
335.25839	30.7
339.23102	5.2
343.22726	3.1
354.41293	2.3
357.24292	4.2
375.30414	2.7
376.06085	2.1
379.24869	3.5
379.29623	2.5
387.19290	2.1
391.29767	5.9
393.26285	6.8
393.31152	2.4
397.30963	4.1
403.29993	19.4
409.30923	12.2
411.32559	9.2
415.32083	2.8
421.31079	22.7
427.32047	4.6
439.26279	3.0
439.32050	41.1
457.33133	100.0
475.27957	3.8
475.34253	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	476.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70276	0.6
55.01862	1.9
56.81801	0.7
57.03431	20.8
59.04987	5.3
60.04507	3.0
61.02909	2.2
62.57412	0.7
69.03420	71.4
69.57838	3.5
69.58251	2.3
71.01338	0.7
71.04971	1.0
73.02899	2.6
75.04464	2.6
81.03395	2.7
85.02895	52.6
87.04458	54.3
91.03947	1.7
95.04955	0.7
97.02882	57.2
98.06012	1.1
98.21510	0.8
99.04447	2.1
99.29080	0.6
103.05492	0.8
105.07021	7.7
109.02868	3.4
111.04419	1.0
115.03915	90.7
119.44218	0.7
124.05201	10.8
127.03902	6.7
131.04900	0.9
131.08511	0.7
133.04948	100.0
133.06380	6.4
137.05957	13.5
139.03877	0.9
143.08614	0.8
144.06500	1.6
145.04933	9.3
145.06038	1.1
145.06473	0.6
150.07605	12.3
151.03897	0.7
151.06007	0.9
157.06566	0.9
162.07610	2.0
163.06046	2.5
165.09093	35.2
169.05011	2.2
177.09100	2.3
180.08618	1.6
189.09093	3.7
201.09113	2.9
207.10100	3.7
223.06004	1.7
229.06952	0.8
231.10168	2.4
241.07016	2.5
243.10214	3.1
259.08099	4.8
261.11176	3.7
277.09143	2.1
295.10318	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.7
55.05497	12.1
56.96554	6.6
57.03424	24.1
59.04984	5.7
61.02902	10.9
67.05489	16.8
69.03424	94.6
69.07058	9.2
70.06594	12.7
70.66076	21.5
71.01342	5.8
71.04980	18.2
73.02912	27.7
79.05471	10.2
81.03406	9.5
81.07051	16.5
83.04954	6.5
83.08587	7.9
85.02409	8.2
85.02897	98.9
86.09704	6.0
87.04463	45.0
91.03938	9.5
91.05465	24.8
93.07045	16.4
95.08603	13.9
95.33501	5.8
97.02877	84.6
97.06484	6.7
99.04429	12.7
103.03934	8.4
103.13252	5.5
105.07018	37.0
107.04910	5.7
107.08591	13.7
108.08885	6.0
109.02885	14.3
109.10172	10.1
111.04443	6.1
115.03918	100.0
116.98579	7.0
119.08575	25.9
121.10123	15.5
123.04455	8.6
123.08029	7.7
123.11660	6.5
124.05202	7.7
127.03872	19.2
131.04811	5.4
131.08588	15.5
133.04956	87.9
133.06480	21.9
133.10104	24.0
134.99579	6.1
135.08026	20.9
135.11771	7.0
136.08385	6.4
137.05943	31.8
145.04929	22.5
145.10097	7.7
147.04369	6.2
148.21725	6.3
149.09651	9.2
150.07715	8.0
151.07542	9.0
154.08546	5.4
159.11723	8.2
160.12009	7.0
161.13303	5.9
163.03802	6.5
163.11125	5.9
165.09100	79.8
172.95746	6.2
177.09216	6.4
189.09210	6.7
197.08061	34.2
241.07103	6.7
287.05450	7.6
434.65814	6.7
458.33496	24.5
476.22131	7.8
476.34061	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	476.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72028	1.6
55.01862	15.4
57.03435	28.7
59.04992	3.1
61.02911	13.4
62.21571	1.6
69.03423	32.3
70.10801	1.5
71.01343	6.8
71.04990	2.9
73.02909	44.4
78.59840	1.4
79.05509	2.3
81.03413	6.6
81.07073	2.3
85.02897	87.8
87.04464	4.4
91.03941	3.5
91.05491	2.8
95.04978	1.7
95.08631	1.6
97.02880	49.1
98.20958	9.8
99.04447	4.2
102.31945	1.5
103.03923	3.2
103.05389	1.6
105.07021	19.2
109.02867	8.5
115.03928	29.2
121.02824	1.8
123.04395	3.9
124.05198	26.2
126.96368	1.5
127.03911	20.8
132.06526	3.5
133.04956	42.0
133.06467	16.3
137.05956	30.2
139.03897	2.4
144.06577	3.2
145.04944	37.0
150.07616	6.3
153.01839	2.8
153.34468	1.5
161.09663	1.7
162.07571	2.8
163.05986	9.3
165.09103	100.0
180.08676	2.6
187.07552	2.3
189.09203	2.3
194.04539	3.6
201.09042	1.8
203.14342	1.7
223.06065	5.7
241.07129	6.3
243.10233	3.3
259.08124	5.0
261.11261	2.0
273.07611	2.7
416.57306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48511	0.2
53.03926	0.9
55.01865	0.3
55.05265	0.4
55.05505	5.4
57.03431	6.1
57.07048	0.4
62.06073	0.5
65.03928	0.8
67.05496	21.6
69.07064	5.9
70.09767	1.4
70.10142	0.5
71.04970	0.6
78.54290	0.2
79.05483	11.4
81.07047	17.8
83.04962	0.9
83.08610	2.6
84.17598	0.2
85.06542	0.3
91.05463	5.5
93.07030	12.9
95.04946	1.4
95.08593	16.3
97.06490	0.7
97.10146	0.6
98.20797	0.4
98.21307	0.5
98.98437	0.3
99.08055	0.4
105.07017	3.1
107.08575	5.3
108.32772	0.2
109.06464	0.5
109.09447	0.4
109.10139	6.1
111.08069	0.4
117.07001	0.9
119.08564	2.3
121.10132	4.7
123.11689	1.7
124.01557	0.3
127.21684	0.2
131.08542	1.5
133.10120	1.4
135.11693	2.6
137.13228	0.3
137.31036	0.3
145.10085	1.2
147.11674	1.1
149.13225	0.9
159.11659	0.7
161.13326	0.3
173.13214	0.6
174.23657	0.2
175.85568	0.3
198.05231	0.3
216.06349	0.5
218.84073	0.2
243.20987	0.3
261.22119	0.8
291.10205	0.3
304.26309	3.2
335.25754	100.0
336.26108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
53.48090	0.7
55.05504	7.7
57.03427	3.8
57.07063	1.4
62.06083	34.1
62.06403	1.8
67.05497	22.9
69.07056	6.9
70.07339	1.5
70.07742	3.3
71.04951	0.9
79.05054	1.5
79.05486	18.2
81.07047	21.1
83.08599	3.5
91.04938	1.1
91.05463	9.0
93.07028	16.8
95.04954	2.0
95.08595	16.0
97.10135	1.0
98.06016	0.8
98.21329	1.7
98.98456	9.3
103.21080	0.8
105.07022	6.9
107.08584	9.0
108.08911	0.8
109.10143	6.9
111.08060	1.2
117.06989	1.3
119.08557	6.4
121.10149	8.4
123.11697	1.9
124.01567	1.5
131.08543	3.0
133.10115	4.0
135.11647	4.1
137.09590	1.2
142.02618	2.2
145.10103	3.1
147.11664	3.3
149.13252	1.3
155.01019	3.0
159.11699	1.2
161.13260	1.2
173.02083	1.4
173.13245	0.9
175.14824	0.9
187.14525	0.7
196.14342	0.8
198.05193	1.8
216.06306	4.2
243.21051	2.0
261.22086	6.3
304.26273	10.3
317.24710	1.4
335.25757	100.0
336.26053	1.7
415.22430	2.4
435.27640	0.8
442.70193	1.0
458.26340	6.3
476.27411	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	477.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34384	3.8
53.03936	10.3
55.01861	9.9
55.05502	32.8
56.96561	53.6
57.03428	21.5
61.02924	34.1
67.05170	5.8
67.05503	83.5
68.05817	11.5
69.03411	17.3
69.07062	21.5
70.42184	3.6
71.04980	10.3
71.61347	7.6
73.02894	16.5
79.05492	68.4
80.05828	7.4
81.03426	24.5
81.07047	93.1
82.07384	12.2
83.04971	25.7
83.08604	17.8
85.02905	41.6
85.06561	5.4
91.03944	17.7
91.05469	54.6
93.07039	75.1
94.07355	6.7
95.04971	26.4
95.08606	37.7
97.02885	28.6
97.06528	13.9
97.10143	10.9
98.06046	12.9
98.97567	9.7
99.04439	5.2
101.02355	9.5
105.07021	40.5
106.31632	3.8
107.04935	15.4
107.08588	36.1
109.02855	6.8
109.06504	8.1
109.10162	14.4
111.08067	8.9
114.51133	4.9
115.03812	3.6
115.53830	3.6
116.98602	8.2
117.07005	15.5
119.08549	26.5
121.06470	7.5
121.10120	23.9
123.08037	7.9
123.11694	6.0
125.09626	5.3
127.03895	11.2
128.98550	6.7
129.07008	19.5
130.65097	3.6
131.08562	13.8
133.10124	24.3
134.99593	7.0
135.11659	18.9
143.00124	4.3
143.08577	10.1
145.10133	20.6
146.99629	11.8
147.11700	28.7
149.09554	4.3
149.13205	16.7
157.10190	5.7
159.11673	9.0
161.13254	9.2
163.11143	12.0
163.14755	8.3
170.99586	5.9
171.03261	14.4
171.11678	17.8
177.00700	11.2
181.12296	4.2
185.04907	8.4
185.13252	5.3
187.14784	5.5
189.00705	8.6
189.04289	12.7
195.13779	8.5
199.06366	7.4
203.05888	9.9
204.40817	4.2
205.15855	11.8
207.13818	25.9
217.07483	14.3
219.01688	6.3
225.07922	5.8
227.12726	8.6
231.08989	8.8
237.08035	7.1
243.08868	11.1
249.07819	4.6
250.05354	5.8
251.09518	10.6
253.10980	7.7
255.09044	17.0
263.09564	12.5
267.09073	16.9
267.16107	4.1
269.10529	33.2
270.11017	5.4
273.10013	13.3
281.10596	69.3
281.17331	35.6
282.10959	5.5
282.17642	4.9
284.12817	9.7
285.10025	29.7
287.11670	18.8
299.11624	45.3
304.12082	16.6
304.26257	16.0
305.26657	100.0
308.11597	4.8
309.10730	9.6
316.11716	33.2
316.61691	6.9
321.04752	5.8
322.11621	69.0
322.61938	31.9
324.11450	20.2
331.12079	16.9
331.15775	11.6
342.63147	5.8
347.16132	14.6
349.16846	38.0
355.15714	8.4
356.14938	6.9
365.15326	32.7
365.65381	9.8
367.17999	43.5
367.22305	7.4
385.23660	15.4
390.19449	6.1
396.19714	7.7
421.17902	11.1
423.32797	8.8
425.22150	5.9
428.18701	34.3
428.68939	19.3
433.25839	7.2
436.18503	10.6
436.68857	5.6
443.23026	6.7
459.27277	13.9
459.34003	4.1
477.22421	13.4
477.28735	41.8
477.72656	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	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01867	11.5
55.05256	2.9
55.05506	39.0
57.03429	11.4
64.62439	1.9
65.03930	2.7
65.96478	1.7
67.05161	3.0
67.05499	44.2
68.54951	1.5
68.81886	1.6
69.03423	6.8
69.07065	13.1
70.74077	6.2
71.04990	2.9
79.05489	51.1
79.11234	1.5
81.02962	3.5
81.03410	44.3
81.07055	31.2
81.59947	1.8
82.58415	1.8
83.04964	9.9
83.08612	25.1
84.93150	1.8
85.02879	5.2
85.06498	1.8
90.55057	1.6
91.05468	35.6
93.07035	30.1
95.04961	31.8
95.08594	25.0
97.02869	2.9
97.06533	5.2
97.10168	34.8
105.07024	27.1
105.61068	2.0
107.04937	21.2
107.08598	21.7
107.22865	1.6
109.06504	9.9
109.10165	14.8
111.08065	6.8
113.05956	2.3
115.05412	3.7
117.07009	12.9
119.04906	3.9
119.08578	18.5
119.69596	1.5
121.02841	2.5
121.06505	23.9
121.10146	11.5
123.08065	8.3
123.11711	2.2
125.09628	30.5
128.06186	3.0
129.07005	17.9
131.04929	4.8
131.08562	20.7
133.06488	10.6
133.10124	11.4
135.08058	11.1
135.11708	2.2
137.05922	2.5
137.09602	3.6
141.06953	4.9
142.07787	2.6
143.08548	11.3
145.06505	15.8
145.10135	10.1
147.04399	3.8
147.08022	11.1
147.11697	11.2
149.05945	3.3
149.09593	7.0
153.09085	7.2
154.37408	2.0
155.08546	6.3
157.06433	2.8
157.10080	9.2
159.08040	5.8
159.11685	4.8
161.05936	3.0
161.09622	5.8
163.11224	5.2
167.08507	3.3
169.10146	5.2
171.08073	3.5
171.11694	9.1
173.09662	3.6
175.11182	10.9
177.12721	3.6
181.10065	2.0
183.11687	3.6
185.09641	2.2
185.13263	4.8
187.11179	3.0
187.14748	2.8
189.09666	2.8
189.11203	16.8
189.12752	3.9
191.14296	2.8
193.12233	20.3
195.11690	2.8
197.09459	1.9
197.13182	3.4
199.11134	2.8
205.12341	3.1
211.11197	1.9
211.13220	5.1
215.14322	5.8
217.12198	4.2
219.13737	2.2
221.11742	2.0
223.13332	2.9
227.12672	22.7
229.18051	2.8
233.15363	12.8
237.12624	2.3
241.14352	2.6
243.13885	2.4
249.14848	4.9
255.13898	3.1
259.13403	2.3
264.39664	2.0
267.15912	39.8
273.14810	8.1
275.16281	2.3
287.16467	2.7
313.03311	4.2
314.04199	5.2
323.19931	4.3
339.23254	5.5
341.21118	8.2
349.21606	12.9
357.24133	9.3
367.22702	34.2
385.09125	3.6
385.23721	52.3
386.24023	2.5
403.24869	22.8
405.23843	2.0
415.24542	3.0
417.11600	3.7
433.25894	22.5
441.26233	7.8
445.11258	5.7
459.27396	100.0
460.27591	5.1
477.14069	4.8
477.28958	53.8
478.28561	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	477.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01096	0.9
53.03924	4.8
55.01871	11.2
55.05507	53.7
55.34040	1.2
57.03434	11.1
57.07043	1.2
59.04990	2.0
65.03937	3.0
66.39662	1.0
67.05496	56.3
69.03428	7.7
69.07056	14.6
69.47028	6.9
69.47432	2.7
70.72041	0.9
71.04981	5.7
77.03899	1.7
79.05486	64.8
81.03410	55.5
81.07047	50.5
83.04978	14.7
83.08608	30.7
85.02890	6.1
85.06519	3.1
91.05473	52.6
93.06458	2.1
93.07035	37.1
95.04961	30.9
95.08599	20.2
97.02877	4.1
97.06532	6.7
97.10159	39.7
98.20826	2.9
98.21516	1.9
99.08102	2.5
103.05444	2.6
105.04478	1.6
105.07016	38.5
107.04946	28.1
107.05685	1.4
107.08582	29.2
109.06501	9.9
109.10149	13.7
111.04424	3.0
111.08077	10.4
113.06004	2.4
115.05431	3.3
117.07001	16.3
119.04923	3.4
119.08570	27.3
121.06485	29.3
121.10114	10.9
121.84100	1.4
123.04430	3.3
123.08050	9.3
123.11694	3.4
125.05947	2.2
125.09611	32.7
128.06181	2.7
129.06142	0.6
129.06989	19.9
131.04926	5.2
131.08545	23.2
133.06458	11.1
133.10120	17.7
135.04405	1.9
135.08049	11.4
135.11722	5.2
137.05959	2.0
137.09599	3.6
141.06958	4.7
142.07719	2.7
143.08543	8.6
143.10623	1.5
145.06468	16.8
145.10106	11.9
147.04419	2.9
147.08017	9.0
147.11681	14.4
149.05948	1.6
149.09589	8.7
149.13234	1.9
151.07533	2.6
151.11212	1.4
153.07054	1.3
153.09067	8.0
153.12744	1.5
155.08549	5.1
157.06485	4.8
157.10118	15.0
159.08029	6.7
159.11697	4.9
161.05942	3.9
161.09608	4.5
163.11179	5.3
165.06989	1.4
165.09041	1.6
165.12701	3.0
167.08554	2.4
169.06479	2.3
169.10083	5.2
171.08066	5.6
171.10278	2.5
171.11684	8.6
173.09578	4.9
173.11852	1.2
173.13306	3.1
175.07570	2.1
175.11168	12.9
176.23611	1.0
177.12729	2.8
178.14139	1.1
179.08600	1.0
181.10107	3.6
181.12254	1.3
183.08072	1.6
183.11656	3.2
185.09587	3.1
185.13235	4.0
187.11171	3.7
187.14815	4.0
189.09412	1.0
189.11201	18.2
189.12790	3.6
193.10341	1.8
193.12219	33.5
195.11690	3.7
195.13504	1.2
197.09644	2.7
197.13284	3.0
199.11183	4.8
199.14825	1.4
201.12784	1.5
203.14307	1.9
205.12105	2.0
205.15973	2.3
207.11684	1.6
209.13338	1.7
211.11292	2.4
211.13220	17.7
211.14984	1.9
213.12743	3.3
215.14449	5.4
217.12267	3.6
223.11115	2.3
225.12744	2.2
227.12654	18.5
231.13823	3.1
233.15332	13.2
235.13284	1.8
237.12672	2.4
237.78831	1.3
241.12189	2.4
241.14374	3.9
245.15424	3.1
249.14832	4.4
255.13815	4.2
257.15402	1.5
259.13235	2.3
261.14981	1.6
267.15881	35.5
269.15414	1.5
271.16791	1.6
273.14883	11.5
289.18002	1.7
291.15869	3.9
321.22052	1.4
324.90100	1.1
329.24857	1.4
331.20480	1.6
339.23175	5.5
341.21036	2.4
349.21600	14.0
357.24240	6.3
367.22650	40.3
374.30292	1.1
385.23700	67.6
386.24130	2.7
389.26907	1.9
403.24811	20.1
405.23679	1.5
415.24606	2.2
421.25815	1.3
423.25113	2.1
426.40933	1.2
433.25772	6.9
441.26202	8.5
452.22855	1.2
459.27383	100.0
460.27921	4.1
477.28455	80.9
478.28546	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	477.2842
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
53.03935	6.3
53.06811	2.2
55.01862	9.4
55.05504	48.4
57.03416	7.9
65.91426	2.3
67.05499	42.3
69.03410	8.1
69.07051	7.5
70.41483	3.9
70.41856	5.2
71.04981	5.2
75.52209	1.9
79.05047	3.3
79.05486	45.5
81.03403	40.7
81.07047	33.8
83.04972	8.0
83.08604	28.3
85.02869	2.8
91.05468	32.6
93.07042	25.3
95.04955	30.4
95.08612	18.5
97.06538	4.0
97.10158	33.4
98.21444	3.0
105.07009	29.7
107.04941	23.8
107.08555	22.7
109.06513	9.3
109.10176	11.8
111.08054	4.8
117.07005	16.6
119.04910	3.8
119.08575	17.1
121.06493	27.6
121.10133	8.6
123.08015	10.9
125.09629	31.5
128.06172	3.9
129.07004	12.8
131.04927	4.6
131.08557	18.1
133.06508	9.3
133.10161	7.4
135.08054	8.8
135.11679	4.6
137.06007	2.1
137.09628	2.7
141.06966	3.2
142.07724	3.3
143.08574	6.5
145.06461	16.7
145.10132	10.8
147.08043	10.0
147.11676	8.1
147.74687	2.6
149.09628	8.2
153.09090	7.5
153.12769	3.2
155.08530	3.2
157.06503	3.6
157.10127	7.1
159.08063	5.1
159.11681	4.5
161.05911	4.3
163.11218	6.3
165.12695	2.3
169.10101	7.7
171.08023	5.9
171.11644	5.9
173.09540	5.3
175.11162	6.9
181.10101	3.7
183.07994	3.5
185.09613	2.5
185.13327	4.3
187.11218	5.5
187.14828	5.2
189.11205	19.7
189.12730	3.8
193.12233	23.1
195.11644	2.7
197.13278	3.6
199.11232	4.8
205.12202	3.4
211.13312	4.1
215.14345	3.5
227.12665	20.2
231.13788	3.7
233.15390	16.8
241.14366	4.3
245.15366	5.2
249.14864	5.0
255.13731	4.5
259.13132	3.5
267.15887	34.8
273.14856	16.3
291.16077	2.9
339.22949	6.4
341.20874	4.8
349.21643	12.4
357.24057	11.0
367.22623	42.3
367.26791	4.2
368.22983	2.4
385.18790	3.3
385.23676	76.5
403.24673	26.4
415.24673	6.9
433.25732	15.5
441.26288	8.8
459.27393	100.0
460.27716	3.7
477.28421	66.5
477.35211	3.5
478.28732	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01864	13.9
55.05505	50.0
57.03425	12.1
59.04985	2.0
65.03931	3.9
67.05231	0.9
67.05495	44.2
69.03413	8.7
69.07063	14.8
69.60338	11.9
71.04982	6.5
79.05482	53.6
80.05797	2.1
81.03407	54.6
81.07046	60.4
83.04969	13.2
83.08607	30.8
84.08990	1.7
85.02906	8.0
85.06538	5.3
91.05470	52.1
93.07029	32.3
95.04957	32.7
95.08592	21.9
97.02858	3.1
97.06527	7.9
97.10159	43.3
98.20739	3.4
98.89078	2.0
103.05476	2.3
105.07020	35.7
107.04935	30.6
107.08571	31.1
109.02889	2.4
109.06527	8.1
109.10135	16.7
111.04455	2.4
111.08089	6.3
113.06033	2.8
113.73408	1.8
114.68582	1.8
115.05457	2.4
117.07016	15.5
119.04898	2.0
119.08563	24.9
121.02952	1.7
121.06497	22.2
121.10149	13.0
123.04504	2.2
123.08073	8.7
123.11701	4.0
125.06014	2.4
125.09616	29.9
125.10529	2.1
127.07526	1.8
128.06250	3.7
129.06996	16.8
131.04979	4.0
131.08539	20.3
131.09361	2.0
133.06485	10.1
133.10110	19.2
135.04341	1.9
135.08023	11.2
135.11646	3.1
137.06029	2.3
139.07532	1.7
141.07001	5.6
142.07729	3.0
143.08553	8.7
145.06474	19.6
145.10115	12.3
147.04378	4.2
147.08044	10.5
147.11641	13.9
149.09616	8.8
149.13263	4.8
151.07614	1.9
153.09064	9.6
153.12749	3.9
155.08588	5.8
157.10124	13.4
159.08081	5.1
159.11687	4.9
161.09630	5.1
161.13264	2.0
163.11217	6.2
165.07019	2.1
165.12708	3.2
167.08556	2.2
169.10187	5.9
171.07925	3.6
171.11723	7.2
173.09654	5.8
173.13199	3.9
175.11174	10.9
181.10086	2.2
183.11771	2.0
185.09618	2.0
187.11230	4.1
189.09450	3.5
189.11238	21.1
189.12738	3.6
193.12231	31.7
195.11758	2.4
197.09634	2.3
197.13264	3.9
199.11264	5.3
203.14320	2.9
205.12186	2.9
205.15962	1.7
211.11295	3.7
211.13161	15.3
213.12772	1.8
215.14293	4.9
216.36069	2.0
217.12331	2.2
223.11224	2.2
227.12614	15.3
229.18100	3.9
231.13800	4.4
233.15323	14.1
235.13293	2.4
237.12767	3.9
241.14400	4.8
243.13899	2.5
245.15367	3.4
249.14948	4.9
255.13931	3.2
259.13342	2.7
267.15866	33.9
273.14883	15.3
281.17551	6.9
291.15836	2.3
339.23114	9.5
341.20975	2.5
349.21573	16.5
357.24298	5.2
362.36633	1.8
367.22607	46.2
385.18689	4.2
385.23669	77.1
386.24020	3.0
403.24753	25.4
415.24716	2.7
433.25909	12.3
441.26328	8.2
459.27362	100.0
460.27802	3.9
477.28601	79.9
478.28879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01868	1.8
55.05505	11.0
57.03428	4.2
61.02913	1.1
63.67249	0.9
67.05499	18.5
69.03412	3.4
69.07048	6.2
70.06584	2.0
70.12676	2.3
70.13065	2.9
71.04989	2.1
73.79652	0.9
79.05480	27.5
81.03410	7.2
81.07047	19.9
82.07368	1.9
83.04955	7.0
83.08602	5.0
84.86613	1.1
85.02897	6.3
85.06541	1.5
91.05470	20.6
92.05806	1.7
93.07033	32.9
94.07333	1.5
95.04959	11.5
95.08602	9.7
97.02877	3.5
97.06517	2.0
97.10165	4.5
98.10474	1.7
98.21584	1.2
99.04476	1.0
103.31293	1.0
105.07013	16.0
105.87298	1.0
107.04961	2.5
107.08584	11.7
109.02822	1.6
109.06503	4.3
109.10150	3.2
111.08098	1.9
117.06998	3.4
119.08562	9.7
121.06499	2.4
121.10107	5.5
123.08081	3.0
125.09625	2.0
127.03892	3.0
129.07002	8.7
131.08534	3.7
133.06461	1.6
133.10156	5.6
135.08138	1.6
135.11697	1.3
143.08603	3.7
145.10112	5.3
147.08101	2.1
147.11668	20.3
149.13235	2.5
155.08630	1.1
157.10164	1.1
161.09619	2.4
161.13254	4.7
171.11690	12.6
175.11183	1.7
177.16457	2.3
189.11189	1.4
189.12712	4.4
193.12273	1.9
194.12653	1.4
207.13791	15.2
219.83200	1.0
271.07391	1.6
281.17444	100.0
282.17819	1.4
289.00089	1.2
299.18533	2.8
351.18100	1.8
368.22910	4.9
369.18979	1.4
386.24103	6.5
404.25311	2.4
418.13791	2.1
460.27692	7.7
461.27942	1.1
478.15823	3.9
478.28891	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	478.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01877	1.9
55.05502	8.1
56.07920	0.9
57.03437	2.9
57.07090	1.6
61.02930	1.6
62.22152	1.0
65.03943	1.0
67.05493	16.8
67.05822	1.4
69.03429	2.3
69.07050	6.0
69.92075	2.3
69.92484	3.0
70.06562	1.4
70.78569	0.9
71.04980	1.8
73.06566	1.2
79.05484	27.2
80.05821	1.3
81.03416	4.7
81.07043	19.3
82.07385	1.7
83.04972	5.5
83.08611	5.4
85.02905	4.8
85.06533	1.9
86.09692	1.3
90.81092	0.9
91.03976	1.3
91.05470	22.2
91.05997	1.7
92.05820	2.0
93.07030	31.5
94.07314	0.9
95.04955	10.0
95.08583	10.8
96.08920	1.2
97.02878	2.5
97.06528	2.7
97.10159	5.4
105.07011	15.6
106.07391	1.8
107.04973	4.4
107.08558	10.7
108.08899	1.1
109.02885	1.7
109.06526	4.3
109.10165	3.5
115.03984	1.1
117.06997	4.4
119.08559	11.4
120.08092	1.0
120.08897	1.1
121.06524	3.4
121.10113	4.6
122.10471	1.7
123.08086	3.7
123.11667	1.3
125.09631	2.4
126.09937	1.0
127.03916	3.0
129.06979	8.7
129.55058	1.3
131.08623	3.4
132.08908	1.0
133.06488	1.2
133.10088	5.8
134.10538	0.9
134.23514	0.9
135.08057	1.8
135.11699	1.9
137.06000	1.3
143.08562	4.0
145.10109	5.2
147.08028	2.3
147.11668	18.3
147.12762	1.4
148.12068	1.0
149.09637	1.5
149.13272	2.1
151.07616	1.1
151.11201	1.2
153.09068	1.0
155.06073	1.0
157.10176	1.6
159.11740	1.4
161.09621	2.4
161.13263	4.7
163.11165	1.4
171.11647	12.2
171.12889	1.0
172.12105	1.1
175.11272	1.0
177.16409	1.7
189.11215	1.6
189.12807	5.4
193.12300	1.2
207.13759	14.8
207.15656	1.0
217.15894	0.9
225.06570	1.1
226.13148	1.2
267.15948	1.2
281.17432	100.0
282.17853	1.5
289.70331	0.9
299.18521	3.5
327.15439	1.0
350.21988	2.0
351.18011	2.1
368.23083	4.6
369.18985	1.8
386.24149	7.2
404.25186	1.9
418.13824	1.3
432.15771	1.5
460.15167	1.3
460.27789	11.0
478.16040	3.4
478.28757	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	478.2921
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05492	6.0
57.03425	4.2
57.07063	1.9
59.26555	1.4
62.05783	1.6
62.06081	27.1
67.05495	18.9
69.07058	13.4
69.96448	2.5
69.96860	5.8
72.60376	1.5
79.05470	6.3
81.07040	21.2
83.08609	5.6
84.08436	1.8
89.84571	1.4
91.05458	2.8
93.07037	7.8
93.69231	1.5
95.08589	19.0
97.10120	2.8
98.20801	2.2
98.98444	6.6
105.06980	3.7
107.08600	2.8
109.10145	5.9
121.10117	4.9
123.11703	2.1
133.10114	1.9
135.11642	1.9
137.13234	2.4
147.11679	2.8
155.01028	5.4
193.90767	1.5
198.05240	2.1
207.10324	1.5
216.06285	3.2
245.22617	2.4
246.82408	1.4
263.23679	7.0
306.27814	10.9
337.27316	100.0
338.27750	2.2
460.27991	4.6
478.28940	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	478.2922
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.02348	0.2
53.03921	0.8
53.04158	0.2
55.01855	0.5
55.05505	9.9
57.03432	6.0
57.07077	1.3
62.06081	0.5
65.03915	0.7
67.05496	20.5
69.07059	12.7
69.07445	0.4
70.25017	0.8
71.04977	0.5
71.08616	0.6
79.05055	0.3
79.05482	5.3
81.07046	22.1
83.04957	0.7
83.08605	6.5
85.06509	0.6
85.10174	0.3
91.05467	4.2
93.07027	5.2
95.04935	0.4
95.08594	16.7
97.06514	1.4
97.10155	3.3
97.35598	0.2
98.21085	0.4
99.08074	0.3
105.07014	2.6
107.08585	3.3
109.06514	0.4
109.10141	6.2
111.08047	0.7
111.11689	0.7
113.05953	0.2
119.08544	2.6
121.10146	2.4
123.08033	0.3
123.11709	2.4
124.01566	0.5
125.09595	0.3
133.10104	2.4
135.11665	1.2
137.09598	0.3
137.13254	1.3
143.94006	0.2
147.11671	1.4
149.13213	0.7
151.14796	0.4
153.12665	0.3
161.13240	1.2
163.14764	0.6
165.16359	0.2
175.14833	0.7
198.05225	0.5
206.16367	0.2
216.06265	0.5
245.22601	0.5
263.23688	0.9
293.96292	0.2
298.99762	0.2
302.43546	0.2
306.27878	3.6
337.27313	100.0
338.27637	2.8
424.10788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.16367	0.2
53.03930	0.6
55.01853	0.4
57.03441	0.9
61.02919	1.3
65.03927	0.2
67.26570	0.2
68.63857	0.2
69.03082	0.2
69.03423	3.6
70.90662	0.4
71.04989	1.3
73.02901	0.6
81.03412	1.9
85.02896	11.6
86.09692	0.2
87.04442	0.6
87.24709	0.2
91.03930	0.7
92.02600	1.0
93.03397	1.0
97.02887	3.5
99.04442	0.6
109.02877	1.0
121.02876	1.0
126.03123	0.5
127.03904	1.8
137.02306	0.3
137.05945	0.3
139.03833	1.1
145.04944	1.4
151.03903	0.9
153.01802	6.7
165.01817	0.7
170.13890	0.2
171.03081	0.3
177.05411	0.2
183.02847	0.2
190.06255	0.2
200.04689	0.3
201.05495	0.7
203.03387	0.5
217.04951	0.9
218.05780	0.4
220.27249	0.2
228.04153	1.3
229.04933	3.4
231.02792	0.3
235.10844	0.2
245.04454	1.1
246.05171	1.4
257.04425	2.2
260.02899	0.4
261.07495	0.5
273.03918	2.0
274.04703	3.6
284.03207	0.5
285.03915	3.9
302.04175	12.3
303.04614	0.3
317.06522	100.0
318.03650	0.3
318.06931	1.6
333.06012	2.9
337.83630	0.2
479.15240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41029	1.2
53.03928	4.7
55.01856	4.5
55.05505	22.1
56.96559	1.5
57.03431	12.7
57.07071	2.1
63.52988	1.3
65.03929	4.1
67.05497	75.4
69.03406	3.1
69.07059	22.5
69.12038	1.3
69.29863	14.6
69.30280	2.0
71.04988	7.2
71.11434	1.4
72.11146	1.2
79.05484	57.9
79.05951	3.1
81.03407	40.6
81.07047	84.9
83.04962	15.8
83.08610	24.5
85.02897	18.9
85.06530	4.1
91.05472	51.4
93.07034	62.3
95.04951	28.6
95.08598	31.1
97.02866	2.1
97.06525	12.8
97.10162	5.1
99.08099	2.4
101.26936	1.3
105.07015	29.4
107.04948	5.5
107.08579	31.2
109.06497	5.8
109.10154	7.0
111.04391	1.9
111.08062	13.9
112.12981	1.3
113.06027	2.4
115.05503	1.7
117.06999	9.3
119.08566	20.7
121.06483	4.1
121.10132	19.4
123.08082	2.9
123.11732	4.3
128.06209	1.9
129.06984	10.9
131.08551	22.6
133.06454	2.3
133.10118	18.8
135.08070	3.4
135.11665	8.1
137.09619	2.9
139.11163	1.9
142.07756	2.0
143.08578	3.2
145.06535	1.5
145.10118	5.6
147.08022	3.7
147.11690	14.8
149.09569	7.1
149.13249	22.9
151.11192	2.4
157.10127	13.8
159.07970	1.4
159.11674	10.0
165.12794	2.6
169.10141	1.8
171.11589	2.5
173.13287	2.2
175.11134	13.5
177.12735	5.5
183.11734	2.3
185.13338	2.4
193.12231	36.4
193.14020	2.2
195.08263	1.5
195.13763	12.8
211.13264	50.1
211.15189	3.4
249.14964	2.2
250.39932	1.5
267.15903	11.9
269.17505	7.2
323.10809	1.9
351.23138	1.9
369.24139	2.3
387.25244	3.5
435.27573	2.0
461.28885	13.1
479.30035	100.0
480.30551	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
53.75778	0.8
55.01857	3.1
55.05257	1.7
55.05504	20.4
55.80895	0.8
57.03432	10.8
57.07064	1.7
59.04976	1.1
65.03928	3.6
67.05495	57.9
69.03403	2.7
69.07056	19.6
70.16798	4.2
71.04976	5.3
73.02907	1.3
73.06554	1.0
77.03913	1.4
79.05483	49.6
80.65326	0.8
81.03407	32.5
81.07047	74.9
83.04967	12.7
83.08610	22.4
85.02896	17.5
85.06509	5.1
91.04897	1.1
91.05470	42.0
93.07031	54.3
94.07394	0.9
95.04950	24.9
95.08593	22.6
97.02869	1.8
97.06506	8.5
97.10156	4.8
99.08076	2.2
105.04498	1.1
105.06506	0.6
105.07011	25.7
107.04951	7.1
107.08578	26.0
109.06511	5.9
109.10118	5.8
109.48544	0.8
111.04435	1.9
111.08063	11.7
113.05973	1.7
115.05435	1.4
116.06229	1.3
117.06993	7.7
119.04915	1.3
119.08563	18.9
121.06477	3.4
121.10129	19.2
123.04461	1.2
123.08072	3.7
123.11673	3.0
125.09606	2.3
129.06979	10.7
131.08549	15.4
132.97844	0.9
133.06514	1.7
133.10118	16.7
135.08038	2.8
135.11684	6.3
137.09662	2.1
139.11177	1.3
142.07787	2.7
143.08548	3.0
145.10149	4.4
147.08035	2.5
147.11668	13.8
149.09601	3.8
149.13229	20.0
151.11151	1.6
155.08566	1.1
157.10118	11.9
159.08069	0.9
159.11682	10.0
165.12784	2.0
169.10155	1.1
171.11707	1.4
173.13255	2.1
175.11154	10.9
175.14806	1.0
177.12799	4.1
183.11667	1.4
185.13263	2.5
189.11198	1.0
193.12216	37.6
195.13791	10.2
197.13234	1.0
201.16371	1.7
211.13254	43.6
217.15842	1.1
233.15562	1.0
245.15479	1.2
249.14819	1.5
267.15857	8.6
269.17502	8.6
274.45782	0.9
285.17068	1.1
341.24713	1.6
369.24194	3.6
387.25159	4.2
419.29044	1.3
433.30969	1.7
443.28015	2.9
447.29062	1.0
461.28860	16.1
479.30014	100.0
480.30389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
54.62111	1.0
55.01839	1.2
55.05492	2.8
57.03426	5.0
57.07067	2.7
57.64384	1.0
60.07996	1.0
65.03940	1.0
65.05223	0.9
67.05495	6.2
69.03413	3.5
69.07055	6.6
71.04985	46.7
71.61076	1.7
73.02885	3.2
75.04462	3.8
79.05482	8.6
81.03402	2.4
81.07049	100.0
83.04974	8.0
83.08597	1.5
85.02895	68.5
86.06062	1.1
87.04453	1.7
91.05468	4.4
93.07034	3.1
94.07368	1.2
95.04939	2.3
95.08035	1.7
95.08596	24.0
96.08944	1.0
97.02873	5.1
99.04442	1.8
102.04694	2.2
105.07010	4.0
107.04924	1.1
107.08595	2.2
109.02864	2.4
109.10117	2.9
111.04442	5.0
115.03918	1.6
119.04944	1.5
119.08564	2.0
121.10116	1.2
123.04425	2.5
123.11694	2.1
127.03899	4.5
129.05455	34.0
130.04144	2.5
131.04898	3.6
131.08487	1.8
133.04916	1.6
133.06406	1.5
133.10075	1.6
135.11676	1.0
137.05960	7.0
137.13239	31.3
139.03876	5.6
145.04919	4.2
145.06564	1.2
146.08087	1.6
147.04465	5.1
147.06514	17.8
148.05231	1.5
149.13239	4.5
150.13574	2.0
151.11108	1.6
153.01828	6.2
161.05992	1.3
162.06743	5.5
163.03888	3.8
164.09204	7.6
165.12584	1.1
169.12219	1.1
177.05467	1.3
179.03316	1.0
189.05411	1.7
201.05475	1.2
212.13387	1.0
217.04918	2.7
221.06021	1.1
229.04915	2.6
237.07590	1.1
245.04396	3.7
255.08652	3.5
257.04196	1.1
269.04266	1.1
270.12589	1.2
272.97430	1.1
273.03864	4.2
273.09619	2.4
285.03967	1.7
297.11340	1.1
301.03357	4.3
302.04218	1.8
303.04941	1.5
309.11694	2.9
313.03415	1.3
319.04575	6.7
337.13959	1.2
339.04831	2.6
357.06766	1.1
385.07007	1.2
428.08810	1.1
431.07629	4.6
451.10260	1.5
463.09625	1.1
463.17230	3.3
480.25726	3.4
481.11279	34.5
481.19119	3.4
497.27942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.308
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.08511	0.3
52.91664	0.3
53.03928	0.5
54.37747	0.3
55.01488	0.3
55.01853	0.3
55.05508	11.0
56.96573	0.3
57.03180	0.5
57.03434	6.7
57.06816	0.4
57.07072	5.7
59.82526	0.3
61.02909	0.4
62.06092	0.5
66.34430	0.3
67.05497	9.4
69.07059	16.8
69.46789	1.1
69.47215	1.7
71.04957	0.6
71.08630	3.1
79.05486	4.1
81.07048	9.9
83.04971	0.5
83.08608	11.9
83.09104	0.7
85.02908	0.4
85.06509	0.4
85.10193	1.6
86.09668	0.3
91.05464	0.7
93.07030	6.2
95.04926	0.5
95.08595	9.9
97.06538	1.8
97.10164	6.7
98.06064	0.4
101.06025	0.4
105.06985	0.5
107.08581	4.3
109.10139	5.0
111.08064	1.0
111.11714	1.7
118.97459	0.3
121.10137	4.9
123.11688	1.1
124.01627	0.4
125.09624	0.4
133.10191	0.4
135.11676	3.7
139.11157	0.7
149.13229	1.6
151.14806	0.5
153.12700	0.4
155.01045	0.4
163.14793	0.8
165.16316	0.5
247.24286	0.9
265.25259	1.1
267.08896	0.4
308.29456	6.1
315.84149	0.3
339.28906	100.0
340.29156	2.4
340.63016	0.4
349.66104	0.5
454.72305	0.7
480.32971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66264	0.3
53.69415	0.3
55.01823	0.4
55.05463	0.3
57.03393	0.3
61.02884	0.5
63.02345	0.3
67.01825	0.6
67.05459	0.3
68.99782	2.8
69.03375	1.0
71.04940	0.3
71.61175	0.3
73.02905	2.0
79.05433	0.8
81.03365	0.6
81.07023	0.4
85.02896	2.4
87.04409	0.4
87.65646	0.3
89.03900	2.4
91.05463	2.3
95.04929	0.6
95.08572	0.5
97.02863	1.3
97.03339	0.3
103.05441	0.3
105.06994	0.6
107.04931	1.3
107.08531	0.5
109.02811	0.7
111.00141	0.3
111.00774	3.1
111.04388	0.6
117.03367	2.0
119.08527	0.6
120.08054	0.3
121.10117	0.5
123.04391	1.5
127.03916	1.3
131.04890	0.3
133.02779	0.6
133.10074	0.6
135.03387	0.3
135.04396	6.0
135.11638	0.4
137.02330	1.5
137.05904	1.2
139.03850	0.4
142.36842	0.3
145.02826	2.8
145.04820	0.4
147.04333	1.0
149.02234	0.3
149.09515	0.3
151.03810	0.3
153.01808	17.6
157.10121	0.3
159.04312	0.3
161.02255	0.5
161.05896	0.4
163.03886	16.9
165.01765	1.8
166.02570	0.4
167.07028	1.6
167.08177	0.3
169.06326	0.3
171.02979	0.3
171.04340	0.5
173.02277	0.5
173.13092	0.5
175.00220	0.3
175.03818	0.5
177.01738	0.8
177.05420	0.4
179.03352	1.3
183.03014	1.4
183.04350	0.6
189.01785	2.1
189.05409	0.7
191.03355	2.7
193.01302	2.6
195.02776	0.6
197.05887	0.7
199.03915	0.8
201.05331	0.6
203.03333	1.2
205.01254	0.7
205.04874	1.0
207.02898	3.0
213.05405	0.9
215.03328	1.1
217.01361	1.9
217.04846	2.2
219.02893	3.3
221.00755	1.3
223.02246	0.3
225.05460	0.5
227.03355	1.0
229.04932	1.5
231.02811	3.1
233.04471	1.6
235.02298	4.5
239.03520	0.6
241.04991	2.2
243.06590	0.3
245.00751	2.5
245.04416	2.5
253.04915	2.6
255.02875	3.2
257.04327	1.0
258.05054	0.4
259.02325	4.3
261.03882	2.8
263.01797	1.0
269.04440	4.1
271.06073	0.4
272.03030	0.3
273.03931	3.5
281.04422	2.5
283.02353	2.9
285.03860	1.2
287.01828	13.1
287.05032	0.8
288.02045	0.4
291.06299	0.4
297.03882	7.9
298.04498	0.6
299.05554	0.7
299.09018	0.7
301.03397	18.9
302.03821	0.4
303.04810	2.4
305.02835	2.6
309.03912	0.8
311.01807	0.4
313.03381	0.6
315.04932	5.4
317.06522	0.8
318.06857	1.2
319.04288	16.5
325.03360	2.9
327.04990	2.7
329.02863	22.3
330.03204	0.5
337.07013	0.4
343.04453	6.5
345.02368	0.6
347.05383	1.2
353.02808	0.6
365.06155	0.3
371.03925	100.0
372.04263	3.0
375.05280	0.4
393.06195	0.7
411.07050	3.8
421.05704	0.5
439.06622	1.5
463.06503	0.6
481.07608	48.5
482.07791	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0969
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.59069	0.3
53.03929	0.6
57.03427	0.8
61.02897	1.5
67.07438	0.3
68.99776	1.4
69.03416	4.2
70.01189	2.0
81.03415	2.1
83.01290	0.5
85.02892	11.6
87.04441	0.6
89.25693	0.4
91.03985	0.7
94.86144	0.4
97.02882	3.8
99.04407	0.7
109.02869	1.9
111.00788	2.0
114.82555	0.4
122.71107	0.3
125.02331	0.4
127.03886	3.2
137.01387	0.5
137.02264	2.0
145.04915	2.1
151.62071	0.4
153.01814	12.4
165.01836	3.6
171.04327	0.4
177.05463	0.4
179.03378	1.5
183.02834	0.8
189.05409	1.0
193.01331	0.4
195.02785	0.5
199.03835	0.4
201.76048	0.4
203.03329	0.8
207.02869	0.5
214.32114	0.4
217.04926	4.7
221.04485	0.4
227.03343	0.4
232.03557	0.4
245.04410	4.8
255.02879	0.4
263.05490	0.7
273.03952	4.9
290.04099	1.2
301.03458	1.3
319.04440	100.0
320.04800	0.9
383.91309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
57.03424	0.2
61.02906	0.3
64.66826	0.1
65.03934	0.1
67.01834	0.1
68.99781	0.8
69.00108	0.1
69.03422	0.8
70.86706	0.3
71.04973	0.3
73.02908	0.8
75.17229	0.1
81.03409	0.5
81.07051	0.1
85.02892	2.6
87.04440	0.2
87.72912	0.1
91.03935	0.1
93.03375	0.1
97.02892	0.8
99.04419	0.2
109.02866	1.1
109.35628	0.1
111.00787	2.5
111.04415	0.3
121.06483	0.1
123.04391	0.2
125.02380	0.3
126.03130	0.4
127.03907	0.6
137.02325	1.9
137.05888	0.3
138.12309	0.1
139.03926	0.4
145.04910	0.4
149.02345	0.2
153.01808	9.7
161.02307	0.2
163.03931	0.2
165.01823	3.2
166.02612	0.5
171.04362	0.1
173.05969	0.2
175.03926	0.2
177.05499	0.4
179.03337	1.3
183.02878	1.1
189.01845	0.2
189.05466	0.6
189.48128	0.1
193.01302	0.3
194.02081	0.2
195.02910	0.8
199.03859	0.3
203.03383	0.5
207.02858	0.5
217.04942	3.2
219.02878	0.1
221.04427	0.2
227.03325	0.4
229.04932	0.2
231.02821	0.3
232.03714	0.2
235.02335	0.3
235.05917	0.2
244.03636	0.3
245.04439	4.8
255.02982	0.6
259.02560	0.2
261.03928	0.2
263.05371	0.7
272.03226	0.3
273.03912	4.7
283.02399	0.2
289.03458	0.3
290.04175	1.3
301.03400	1.3
302.04095	0.2
303.04907	0.2
317.02847	0.3
319.04437	100.0
320.04739	1.4
335.03900	2.0
371.03989	0.3
481.09720	3.8
482.09268	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	481.0973
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03938	0.3
55.01846	0.2
56.94363	0.2
57.03428	0.3
61.02909	0.2
62.49205	0.2
65.60600	0.1
67.05479	0.2
68.99783	1.0
69.03428	1.0
69.58486	1.4
70.06574	0.8
73.41054	0.2
78.86150	0.2
81.03399	0.6
83.04953	0.2
85.02887	2.2
91.03944	0.2
95.08584	0.3
97.02895	0.9
97.03444	0.1
99.04418	0.2
105.07042	0.2
107.04910	0.2
107.08607	0.4
108.62078	0.2
109.02858	1.2
109.10100	0.2
111.00796	2.7
111.04440	0.3
121.02834	0.2
121.06493	0.2
123.04456	0.3
125.02280	0.4
126.03082	0.2
127.03896	1.1
129.33719	0.2
137.02324	1.9
137.05960	1.2
139.03870	0.3
141.10155	0.2
143.03323	0.2
145.04939	0.4
147.04385	0.3
151.03813	0.2
153.01808	10.8
153.05391	0.3
153.32678	0.2
161.05893	0.3
163.03850	0.3
165.01831	4.1
166.02588	0.6
176.16727	0.2
177.05466	0.5
179.03403	1.6
183.02872	1.2
184.07355	0.2
189.05527	0.8
193.01366	0.2
195.02913	0.8
199.03864	0.4
203.03352	0.5
207.02928	0.6
217.04936	3.8
221.04417	0.3
227.03436	0.3
229.04893	0.3
231.02882	0.5
232.03642	0.3
235.02332	0.3
235.06020	0.3
244.03592	0.4
245.04422	5.2
255.02771	0.5
263.05450	0.8
272.02930	0.2
273.03900	4.9
283.02374	0.2
289.52121	0.2
290.04135	1.4
291.04993	0.2
301.03409	1.3
301.11884	0.6
319.04449	100.0
320.04730	1.2
396.16769	0.2
421.05582	0.3
463.17545	0.2
481.09637	3.8
481.16837	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03947	0.1
55.01854	0.2
55.16806	0.1
56.96558	0.1
57.45292	0.1
62.75010	0.1
68.99779	1.2
69.03419	0.4
70.06574	0.1
71.60639	0.2
72.08125	0.1
81.03413	0.2
85.02894	0.4
89.82546	0.1
91.05443	0.1
93.03400	0.1
97.02882	0.3
107.01275	0.1
107.04934	0.2
109.02861	1.1
111.00797	2.3
111.04425	0.2
115.05466	0.1
117.06997	0.1
119.08488	0.1
121.02848	0.1
121.06523	0.2
123.04403	0.4
125.02332	0.2
126.03139	0.2
127.03899	0.5
133.02823	0.2
133.10094	0.1
135.04385	0.1
136.07484	0.2
137.02310	2.0
139.03885	0.7
147.04402	0.5
149.02356	0.3
151.03851	0.2
153.01807	9.8
154.02153	0.2
161.05984	0.3
163.03883	0.3
165.01816	3.3
165.05432	0.1
166.02649	0.5
167.03456	0.1
171.02951	0.2
171.04359	0.1
171.58716	0.1
173.06023	0.1
175.03857	0.2
175.43114	0.1
177.05496	0.6
179.03381	1.4
183.02890	1.2
184.00401	0.1
189.01810	0.1
189.05428	1.0
193.01331	0.3
193.04788	0.1
194.02068	0.1
195.02852	0.7
199.03905	0.3
203.03410	0.8
207.02911	0.3
207.06502	0.1
217.04927	3.4
221.04482	0.3
227.03383	0.3
228.61711	0.1
229.04947	0.2
231.02832	0.4
232.03662	0.2
235.02274	0.3
235.06013	0.2
237.00774	0.1
239.01996	0.2
244.03664	0.4
245.04414	5.2
255.03033	0.7
257.03934	0.1
263.05420	0.6
272.03119	0.2
273.03900	4.8
274.04205	0.1
283.02319	0.3
290.04144	1.4
291.04880	0.2
291.08511	0.1
301.03381	1.2
301.11801	0.2
317.11118	0.2
319.04437	100.0
320.04764	1.7
335.03885	0.4
347.04376	0.1
365.05438	0.1
410.13950	0.1
423.72604	0.1
481.09290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75011	0.3
61.02885	0.3
61.32875	0.3
68.99770	0.8
69.03401	1.3
69.56928	2.3
70.06556	0.5
79.05483	0.3
81.03385	0.5
81.07031	0.7
81.87028	0.3
85.02879	1.4
91.05444	1.0
93.07034	0.6
95.08591	0.7
96.81081	0.3
97.02854	0.6
105.06978	1.2
107.08573	0.8
108.70872	0.3
109.02849	0.9
109.10104	0.6
111.00751	1.0
117.06952	0.4
119.08532	1.1
121.02863	0.3
121.10106	0.5
123.04399	0.5
123.11708	0.4
125.02232	0.3
127.03723	1.3
131.08528	0.5
133.10089	0.8
135.11688	0.3
137.02313	1.1
137.05957	3.2
139.03856	0.3
143.08479	0.5
145.10094	1.2
147.04372	0.5
147.11632	0.4
153.01797	5.1
153.20775	0.3
155.08604	0.4
157.10138	0.6
159.11684	0.7
161.09595	0.4
165.01794	2.0
166.05022	0.3
169.03363	0.4
169.04710	0.3
169.10046	0.3
171.02512	0.3
171.11597	0.6
173.04254	0.4
173.13234	0.7
174.10129	0.3
177.05403	0.4
179.03391	0.8
183.02742	0.5
185.13205	0.4
186.06506	0.5
194.04474	0.7
195.02734	0.6
197.13258	0.3
199.03880	0.3
199.14905	0.4
215.05296	0.6
217.04854	1.7
227.03230	0.3
231.03061	0.3
233.15193	0.4
235.05917	0.4
245.04393	2.2
259.05692	0.3
273.03918	2.4
290.04254	0.3
301.03470	0.5
301.08749	0.5
301.11771	3.5
317.08356	2.9
319.04443	47.9
319.12329	2.3
320.04828	0.9
334.08826	0.3
349.12512	1.0
427.75543	0.4
435.07001	0.4
440.12897	0.5
463.28293	0.6
481.16727	100.0
482.17029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01856	1.9
55.05501	2.1
56.96541	0.9
57.03416	2.1
57.07054	1.1
57.83392	0.8
61.02913	1.6
65.03915	1.5
67.05480	3.3
68.99783	2.1
69.03416	7.9
69.07070	2.0
70.06567	2.1
71.04968	0.9
71.62328	1.7
71.62679	1.1
74.66125	0.7
79.05492	3.5
81.03413	3.4
81.07029	3.6
83.01295	0.8
83.04961	2.0
83.08625	1.6
85.02897	17.2
85.03388	0.7
85.06548	0.9
87.04441	0.9
90.94808	0.9
91.03916	1.3
91.05458	8.0
91.85493	0.8
93.03372	1.0
93.07035	5.3
95.04946	3.0
95.08595	3.3
97.02863	6.8
98.97616	1.0
99.04433	2.3
105.03377	1.6
105.07004	8.4
107.04923	2.0
107.08585	13.0
109.02869	4.3
109.06531	1.5
109.10137	2.5
111.00787	3.3
111.04478	1.2
115.05454	1.5
117.07020	2.8
119.04935	5.0
119.08561	14.4
121.02823	0.9
121.06528	1.8
121.10109	6.2
123.04412	89.3
127.03893	4.5
128.06207	1.0
129.06966	1.2
130.07751	1.1
131.04901	1.9
131.08571	11.8
133.06479	1.5
133.10112	15.3
135.04390	6.1
135.08031	2.7
135.11742	4.6
137.02341	2.8
137.05960	1.4
139.03883	36.4
143.04904	1.3
143.08536	4.4
144.09341	1.4
145.04955	2.8
145.06384	1.0
145.10121	7.3
147.04388	24.9
147.11668	17.3
149.05978	1.6
149.09592	1.6
149.13235	3.7
151.03882	12.2
153.01830	9.3
153.05440	2.6
156.09300	1.7
157.10103	1.8
158.10892	4.8
159.08089	1.7
159.11673	19.6
159.81598	0.9
161.05978	5.6
161.13268	2.5
162.74286	0.8
163.03877	5.7
163.07449	1.5
165.01836	3.3
165.05453	15.5
165.12729	1.2
169.10112	1.5
171.11703	1.6
173.09569	1.2
173.13234	20.0
174.14038	3.7
175.03902	1.3
175.07608	1.3
177.05499	4.0
177.12766	1.1
178.40642	1.0
179.03413	1.8
179.07045	3.3
181.04872	1.7
183.02914	1.8
183.11606	0.9
185.09636	1.6
187.07532	1.1
187.14876	1.2
189.05466	6.6
191.07021	2.6
191.14302	10.7
193.04890	1.0
195.11691	1.2
199.11226	1.1
201.09151	1.3
203.07062	2.7
205.08499	1.3
206.04491	1.0
207.06508	4.0
215.07101	1.5
215.14243	4.2
217.04947	4.4
217.08644	2.2
223.11124	1.0
227.02101	1.6
227.07039	1.2
229.08505	6.5
229.12149	1.2
231.10187	4.7
233.15405	1.8
239.10622	1.0
241.08604	3.2
243.10196	2.6
245.04546	4.2
245.11678	5.2
255.10162	10.1
256.10818	1.0
257.11725	1.7
259.13208	1.3
269.11774	2.9
271.13208	5.9
273.04059	5.3
273.07529	35.8
274.07986	1.0
277.23126	1.0
285.14755	2.5
293.15332	3.6
299.16476	1.3
301.03375	1.4
301.11670	1.9
303.08594	3.5
311.16370	25.1
311.19809	1.6
317.10135	1.5
319.04443	100.0
319.12424	2.3
320.04700	6.7
323.16290	2.2
325.17822	1.6
329.17432	42.1
341.10269	2.8
341.17407	2.5
361.05585	1.5
381.13348	3.1
387.67227	1.1
397.16446	3.6
407.14874	4.3
423.18292	1.2
425.15613	1.1
445.19760	1.2
463.21121	39.8
481.22195	49.1
482.22495	1.2
501.73178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2945
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03925	4.1
55.05499	6.1
57.07051	2.3
57.45387	2.1
60.20743	2.2
62.44907	2.7
67.05507	22.4
69.03426	100.0
69.07044	7.7
69.82311	14.2
79.05486	15.0
81.03397	8.4
81.07044	22.9
83.04962	4.4
83.08623	3.2
85.02899	4.2
86.43801	2.8
89.66479	2.7
91.05481	20.2
93.07039	19.8
94.28448	2.4
95.04940	8.6
95.08601	21.0
97.06521	4.2
98.21445	3.1
99.04447	59.8
105.07024	37.2
107.08596	19.2
109.02869	15.8
109.06510	4.1
109.10161	13.0
111.04410	9.4
115.05446	2.7
117.07029	13.1
119.08575	41.5
121.10078	12.9
123.08004	3.2
123.11687	4.1
127.03888	11.1
128.06230	7.1
129.06985	10.7
130.07790	3.6
131.08559	29.0
133.10101	22.5
135.11690	11.3
137.13252	4.9
141.06935	5.3
142.07788	8.2
143.08548	29.2
144.09291	7.2
145.10109	41.9
147.07970	2.9
147.11664	7.4
148.01357	2.7
149.09535	2.5
153.07007	2.8
155.08575	16.1
156.09294	10.7
157.10097	33.7
158.10773	2.5
159.11684	45.9
161.09615	4.5
161.13231	23.4
167.08556	7.6
168.09416	5.9
169.10110	21.0
170.10880	9.9
171.11676	22.5
172.12434	3.1
173.13290	16.9
175.11194	2.9
175.14723	4.6
179.08522	3.5
181.10095	7.7
182.10892	7.8
183.11673	41.4
185.13242	81.0
187.11174	2.6
187.14777	31.2
189.12752	3.9
194.10767	3.5
195.11670	5.9
196.87692	2.6
197.13245	25.0
199.14851	15.7
201.12711	4.0
201.16316	4.5
203.14296	23.8
205.12326	2.7
209.13234	7.1
211.14835	6.4
213.12697	4.6
213.16348	7.3
215.14284	19.4
217.12311	3.3
219.58815	2.4
223.14874	4.1
225.16360	2.4
227.10701	2.5
229.12245	10.3
231.13809	8.3
233.15331	19.8
235.14816	3.1
237.16440	3.5
243.13712	4.3
257.15311	4.5
319.04391	8.3
340.78516	3.2
353.24698	2.8
365.24820	15.6
399.26697	3.8
417.27783	6.1
419.29556	2.9
435.28940	9.6
445.27505	9.8
463.28217	20.8
481.29440	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	482.3236
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
52.00719	0.8
55.05498	3.8
57.03429	2.5
57.07068	38.8
58.05145	0.8
62.05772	1.8
62.06081	24.1
66.10133	0.9
67.05486	4.0
69.07066	5.9
71.08624	34.4
72.04485	1.3
81.07034	5.2
83.08608	4.8
85.10169	17.7
89.06018	35.6
95.08582	7.1
97.10157	3.0
98.98463	5.4
99.11718	3.2
107.07060	2.2
109.10154	4.3
111.11695	3.1
113.13295	2.2
117.86224	0.9
123.07246	0.8
123.11697	1.6
130.08665	1.1
133.08586	19.4
155.01004	5.7
177.11211	9.3
198.05219	1.9
216.06319	3.1
221.13805	1.0
239.14845	2.1
267.26837	0.9
271.26407	2.3
283.17468	12.9
310.30936	12.3
315.28790	2.1
336.24689	1.0
341.30450	100.0
342.30829	3.2
421.26941	7.2
464.31354	2.9
465.31213	0.7
465.37741	15.8
482.32254	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	15.8
57.07055	6.1
64.41518	2.0
65.03927	1.8
67.05490	19.4
69.07053	7.5
71.08624	6.5
71.62032	2.3
79.05493	15.4
81.03384	2.5
81.07037	17.7
83.04965	4.0
83.08609	16.5
85.10238	2.2
89.06021	6.4
91.05456	13.8
93.07023	17.6
95.04969	21.8
95.08594	11.3
97.06519	5.2
97.10155	4.3
105.07025	17.1
106.32598	2.4
107.04942	8.5
107.08593	11.7
108.23717	2.1
109.10160	9.7
111.08064	3.3
117.07002	8.3
119.08571	17.8
121.10086	6.8
125.09629	3.7
129.06963	2.4
131.08553	8.3
133.08601	5.0
133.10092	17.1
135.08032	3.9
135.11673	6.6
137.09593	2.7
139.11168	2.5
145.10129	15.0
147.11674	7.9
149.09608	16.6
151.11275	2.2
157.10127	3.9
159.11678	5.7
161.13249	2.8
163.11162	22.0
165.12787	2.7
169.10114	2.7
173.11761	2.6
173.13264	2.7
175.11176	4.6
177.12782	2.8
183.11691	3.8
189.11185	6.4
223.13249	17.7
229.19545	3.1
239.17863	8.6
242.28307	2.0
247.20572	2.3
257.18857	12.6
275.20029	100.0
283.17471	5.3
293.21063	41.8
308.91528	2.2
326.22119	2.1
465.37943	2.8
483.36887	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	483.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94907	1.2
56.96569	9.2
71.60628	1.3
76.48976	1.0
98.97581	19.6
99.13683	1.3
116.98610	25.4
119.01904	1.7
134.99649	29.8
135.99979	1.3
137.02933	1.5
140.00278	1.3
153.00710	7.3
158.01369	1.4
174.00615	1.3
174.97629	2.3
177.00935	4.7
180.53510	1.0
192.97136	1.2
192.98651	7.0
208.96588	1.5
216.98782	2.1
219.01985	8.0
221.01788	1.3
232.96704	7.4
234.99698	8.8
238.95596	1.4
250.97777	16.3
253.01163	1.5
256.96677	8.2
258.99878	10.4
261.03094	15.1
262.03171	3.8
263.02893	1.8
274.97711	59.2
275.97791	3.4
276.97787	2.1
277.00848	20.4
278.01099	3.4
279.00754	4.8
280.96716	1.3
282.99966	10.1
284.00186	2.5
292.98740	18.9
297.99310	2.0
298.97720	37.6
300.02521	2.1
300.97971	1.3
301.01035	25.2
302.01041	3.6
303.00931	3.6
316.98788	100.0
317.98880	4.2
318.98605	1.4
334.99881	5.9
340.00418	5.1
354.93710	1.5
358.99896	8.5
374.97821	2.4
377.07571	1.7
398.97992	2.4
401.00955	3.6
402.01349	2.8
416.98990	11.8
422.97314	6.0
424.31531	1.2
425.01224	2.3
436.91940	1.7
440.98877	41.6
441.99121	2.5
443.02371	9.3
444.02106	3.2
446.89270	1.8
448.92215	3.2
449.42633	1.6
456.91486	2.5
457.41589	3.5
457.91589	2.5
458.99924	89.7
459.90079	1.3
459.99933	5.3
469.41483	1.7
477.00732	2.4
477.91989	2.2
479.93903	1.3
480.44113	1.5
482.01431	10.4
482.93265	1.7
483.00974	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	483.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21202	0.8
55.01871	1.3
56.96549	2.5
61.02914	1.1
66.94170	0.7
67.76743	0.9
69.03416	2.3
82.99873	1.1
85.02883	4.8
87.44069	0.7
94.99896	1.2
97.02890	3.7
98.97556	4.6
101.00859	6.8
105.00374	1.0
109.02893	1.0
113.00890	2.3
116.98621	2.4
119.01910	24.0
120.02111	0.9
121.03439	0.9
122.39162	0.7
127.02372	1.5
127.03870	2.8
128.98618	2.1
129.03944	1.2
131.01901	13.0
133.03456	3.1
134.99593	0.8
135.04390	1.3
137.02925	4.7
139.03897	0.9
142.03400	0.9
143.01894	17.0
145.03453	14.5
146.99615	1.3
147.01419	2.2
147.04315	2.1
149.02962	3.4
151.04535	1.5
155.01866	19.3
157.03448	9.4
158.99623	1.3
161.02942	30.6
163.02641	1.8
163.03958	5.4
167.01891	5.4
168.00172	0.9
169.03464	3.7
170.99648	1.0
171.05043	2.5
173.02943	49.3
175.04507	5.1
176.31894	0.9
177.00943	1.4
177.02469	4.6
179.01942	1.1
183.05025	2.0
184.04684	0.8
185.02945	46.5
186.03174	0.9
187.04543	5.7
189.06055	0.9
190.98640	1.2
191.04013	2.3
195.03383	1.9
196.04541	1.5
197.02942	15.4
199.04491	2.0
201.02425	39.0
201.06087	3.3
203.03986	17.5
207.01822	1.0
209.02959	3.3
211.04594	1.6
213.02400	8.4
215.03989	11.6
219.03485	100.0
220.03790	3.5
221.02986	2.3
221.05074	5.7
221.06816	0.9
221.57167	1.0
224.04013	0.9
227.04004	10.0
229.05653	1.2
230.57634	1.3
231.03470	14.5
233.05052	1.5
235.06674	0.9
235.17990	0.8
237.00688	1.1
237.02698	3.0
237.04776	4.4
239.04097	1.8
239.06238	1.2
242.05142	3.3
243.03514	4.1
243.07211	1.1
245.05054	95.3
246.05246	2.5
249.04567	7.2
255.03719	4.5
257.05045	4.3
259.06613	1.2
261.02170	1.1
261.04581	14.7
263.06107	12.3
273.04852	1.5
275.06110	14.2
277.07861	1.0
279.05612	6.0
281.57053	0.9
283.06821	1.0
285.04382	1.4
291.05832	1.1
293.07196	5.4
295.08752	1.9
303.05609	25.1
305.07211	11.0
317.07080	1.1
321.06677	45.2
321.10446	2.2
322.06870	1.3
335.08307	5.4
337.09692	1.5
339.07660	3.5
363.08075	1.1
365.09393	7.6
383.10532	1.5
451.09064	0.9
483.11908	33.5
484.12131	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	2.1
57.03422	2.1
61.02918	1.8
67.05482	1.9
69.03422	5.9
69.31573	1.3
71.04958	1.1
71.61039	1.4
72.37225	1.2
73.02908	1.6
80.12453	1.3
81.03388	2.5
83.05013	1.1
84.04510	1.4
85.02892	9.9
89.03899	1.6
93.07050	1.1
94.06567	1.9
96.08120	2.7
97.02881	4.9
97.94630	1.0
98.06042	1.5
98.97571	2.2
102.24635	1.3
108.08038	1.2
110.06042	2.5
110.09666	7.0
111.04441	2.1
116.98595	1.2
117.03370	1.4
118.06514	1.1
120.08102	3.2
122.06005	1.8
123.04411	1.5
124.07507	1.6
126.05493	2.2
127.03855	2.1
135.04356	2.5
136.07564	1.6
138.05501	3.8
138.09122	24.3
139.03888	4.8
146.06007	4.9
147.04395	1.9
148.07547	1.7
156.06540	17.3
163.03851	8.8
166.08615	32.5
168.06697	1.1
177.00758	1.5
179.07231	1.2
188.07021	9.4
188.10715	2.3
196.09842	3.2
205.09732	4.1
206.08365	7.6
211.12245	3.8
213.10223	2.4
216.10170	2.4
221.02948	2.5
221.10661	2.9
223.08612	2.4
224.09402	1.5
227.08031	2.0
230.11694	2.1
232.09598	2.5
234.11252	3.5
237.02904	1.8
238.10962	2.6
239.11693	9.1
240.10287	2.1
241.09781	2.8
243.11382	1.4
254.10368	1.5
257.12930	2.3
258.11252	4.8
262.10678	5.8
267.11270	24.8
271.10751	2.6
272.11557	7.6
275.13669	1.6
276.12296	7.9
285.09338	2.3
285.12271	20.0
290.12662	2.3
303.13312	21.2
304.11734	9.5
321.14395	100.0
322.14883	1.8
365.04776	1.3
386.76651	1.1
483.10535	6.2
483.20090	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01865	1.3
55.05502	3.2
57.07067	0.6
65.03923	1.0
67.05490	3.0
68.99784	1.7
69.03412	1.2
69.07048	1.8
69.53069	2.8
79.05488	1.9
81.03404	0.9
81.07048	3.6
83.04961	0.9
83.08610	1.1
85.02891	0.6
91.05445	1.6
93.03394	0.6
93.07024	2.3
95.04953	1.6
95.08597	3.4
97.02871	0.7
97.06522	0.6
97.10148	2.4
103.05424	0.9
105.07019	1.8
107.04952	0.7
107.08570	2.1
109.02880	0.4
109.06498	0.4
109.10153	1.7
111.00772	0.5
111.04424	3.6
115.05450	1.0
117.06998	1.3
119.08576	1.3
121.02842	0.5
121.06505	0.5
121.10139	1.3
123.04410	6.7
123.08035	0.4
123.11647	0.4
123.33569	0.4
125.09583	1.0
127.03887	1.4
129.06987	0.6
131.04926	1.6
131.08545	1.5
133.06499	0.6
133.10103	1.3
135.04427	0.4
135.11714	0.3
137.05948	1.0
137.09596	0.5
139.03882	100.0
140.04196	0.9
141.06992	0.9
143.04929	0.5
143.08560	1.0
145.06509	1.1
145.10120	1.1
147.04396	0.7
147.08002	0.4
147.11656	0.8
149.05959	2.2
151.03893	3.7
153.05466	1.6
153.06915	0.9
155.08514	0.6
157.06480	1.2
157.10107	0.7
159.11563	0.5
160.05235	0.3
160.16603	0.4
161.05963	9.1
161.13194	0.8
163.03888	16.9
163.07533	1.0
165.05466	1.7
165.06895	0.7
167.08585	0.7
169.06462	1.1
171.07976	0.4
171.11708	1.0
173.05963	11.7
173.13278	0.7
175.07512	1.5
175.14801	0.5
177.05449	1.5
178.60031	0.3
179.03381	6.0
179.08595	0.3
181.04915	1.2
181.06499	1.9
181.09984	0.4
183.08119	0.8
183.11584	0.3
185.05959	1.1
187.07529	6.1
187.14813	1.2
189.05457	3.0
189.09102	0.5
189.11081	0.4
191.07048	0.5
193.06393	0.6
195.08055	0.8
197.05923	1.8
198.06738	0.5
199.07529	5.5
199.14792	0.6
201.05464	2.0
201.09087	3.0
201.16454	0.5
203.07019	0.8
203.10463	0.3
205.04840	0.7
207.08028	0.5
209.05881	0.5
209.09674	0.4
210.06760	0.6
211.07498	3.0
213.05383	1.2
213.09056	2.7
215.06931	1.6
223.07474	0.9
225.09062	1.0
227.07018	1.0
227.10745	0.5
229.04884	0.7
235.07320	0.4
237.05391	0.4
237.09045	0.7
251.07033	0.6
255.06567	0.6
263.12927	0.4
267.06525	0.4
267.13702	0.7
269.15323	1.3
271.06073	0.5
279.06250	0.5
281.13632	0.4
283.05966	2.3
285.07492	0.7
285.14850	1.5
287.16293	0.9
289.08667	0.4
289.14392	0.7
293.15326	0.4
295.06003	3.6
297.07434	1.1
297.14886	1.4
299.16168	0.5
301.14282	0.5
303.06766	0.4
303.15750	0.5
305.08023	0.4
305.17194	0.5
308.06647	0.4
309.07596	2.2
309.14905	0.5
311.16318	0.8
313.07007	5.5
313.14359	1.5
315.15860	18.4
316.16345	0.6
317.17291	0.4
321.07553	0.8
321.14920	0.5
322.08301	0.7
323.08981	1.1
325.14362	0.5
327.15808	3.9
329.17419	0.6
331.15115	0.5
333.16885	4.3
335.09164	0.9
339.15854	4.3
343.15350	0.8
345.16931	4.6
357.16708	2.8
408.25629	0.3
409.16464	0.8
421.16412	2.2
429.16943	0.7
435.18411	0.4
435.29004	1.0
437.19321	0.4
437.30173	0.5
439.17365	1.4
447.17923	6.0
447.27844	0.5
465.19083	8.7
465.28830	0.8
483.20157	9.3
483.30667	1.0
484.20493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27898	0.3
53.03938	0.4
55.01861	1.6
55.05508	2.5
57.03417	0.4
57.07045	0.5
64.33386	0.3
65.03918	0.7
66.32384	0.3
67.05499	4.1
68.99773	1.8
69.03402	0.6
69.07037	1.3
70.84032	0.5
70.84342	0.3
71.01344	0.5
72.51437	0.3
79.05474	1.4
81.03403	0.5
81.07046	2.7
83.04970	1.0
83.08582	0.7
85.02927	0.4
87.30126	0.3
91.05459	1.7
93.03399	0.5
93.07024	1.4
95.04964	1.2
95.08598	1.9
97.02869	0.5
97.10170	1.3
98.00037	0.3
103.05466	0.8
105.07008	1.0
107.04928	0.5
107.08572	1.1
109.10136	1.1
111.00767	1.2
111.04437	3.6
111.08080	0.4
115.05428	0.9
117.06989	0.7
119.08552	0.7
121.02864	0.9
121.10101	0.5
123.04408	8.0
123.08060	0.7
125.09608	0.6
127.03900	1.1
128.06197	0.4
129.06967	0.9
131.04880	1.8
131.08543	0.6
133.06424	0.8
133.10110	0.8
135.04404	0.7
137.05942	1.3
139.03880	100.0
141.06990	0.9
143.04912	0.8
143.08530	0.5
145.06487	1.0
145.10089	0.8
147.04410	1.0
149.05984	2.3
151.03888	4.1
152.06203	0.4
153.01822	0.6
153.05464	1.5
153.06975	0.9
155.04912	0.5
155.08516	0.7
157.06467	1.3
159.08083	0.4
160.05206	0.5
161.05965	10.5
163.03883	19.8
163.07549	1.3
165.05469	1.0
165.06960	0.8
167.03476	0.4
167.08559	0.8
169.06456	1.1
171.08087	0.8
173.05959	12.3
175.07520	2.2
177.05452	1.0
179.03375	8.8
181.04890	0.9
181.06468	1.9
183.08093	0.8
185.05983	1.3
186.06726	0.4
187.07509	6.2
189.05441	3.0
189.09149	0.5
191.07133	0.4
195.08035	1.4
197.06009	2.0
198.06625	0.5
199.07510	6.2
201.05402	2.0
201.09084	4.8
203.06963	0.8
205.04871	0.8
209.05989	0.5
210.06807	0.8
211.07532	3.8
213.05505	2.1
213.09039	2.8
215.07036	1.6
223.07487	1.4
224.08267	0.5
225.09064	2.2
227.06952	1.9
227.10582	0.6
229.04964	0.7
229.08488	0.4
237.09003	0.7
239.06963	0.8
243.06546	0.4
251.06979	0.8
251.14285	0.8
255.06384	0.4
263.12808	0.4
267.06421	0.5
267.13843	1.1
269.15302	1.4
271.05890	0.8
279.06458	0.8
279.13684	0.5
281.13644	0.4
282.05191	0.9
283.06052	3.3
285.07477	0.9
285.14771	2.2
287.16400	1.5
293.15399	1.0
295.06049	4.1
297.07599	1.4
297.14893	1.4
299.05524	0.4
303.06732	0.4
303.16003	0.7
305.08154	0.5
305.17404	0.7
308.06747	1.5
309.07440	3.0
311.05630	0.5
311.08969	0.5
311.16406	0.9
313.07016	4.5
313.14377	1.2
315.15860	22.0
317.08231	0.7
321.07614	0.9
321.14844	0.8
322.08313	0.9
323.09006	0.6
325.14224	0.5
327.15848	4.5
329.17465	0.9
333.16974	4.3
335.09119	1.1
339.15894	6.3
345.16943	7.3
357.16843	3.2
409.16498	0.8
419.18558	0.7
421.16415	3.7
429.16733	1.1
435.17947	0.5
435.29010	0.4
439.17590	2.5
447.18048	7.0
465.19058	9.9
483.20203	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	483.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48960	0.4
53.03948	0.5
55.01866	1.4
55.05497	3.2
65.03931	1.3
67.05500	5.0
67.68440	0.4
68.99778	1.4
69.03423	2.7
69.07056	2.3
69.50619	3.0
71.04981	1.1
77.11772	0.3
79.05487	4.4
81.03407	3.2
81.07037	6.2
83.04975	3.2
83.08607	1.4
85.02896	0.9
85.06516	0.6
85.85901	0.4
91.05459	4.5
93.07023	3.5
95.04963	2.8
95.08598	4.2
97.02875	0.4
97.06532	0.9
97.10135	1.0
98.21085	1.6
99.04453	1.0
99.08127	0.4
102.17118	0.4
103.05483	0.4
105.07019	5.5
107.04937	1.5
107.08581	3.4
109.06519	1.2
109.10151	2.8
111.00831	0.5
111.04426	2.6
111.08050	1.0
113.05961	2.1
115.05456	0.7
117.06989	1.2
119.04931	0.9
119.08575	4.9
121.02823	0.8
121.06496	0.5
121.10123	2.4
123.04418	9.5
123.08041	1.0
123.11702	1.4
123.31916	0.4
125.09609	0.6
127.03912	1.4
128.06265	0.5
129.06987	2.3
131.04921	1.2
131.08542	3.3
133.06483	0.6
133.10117	3.7
135.04417	1.5
135.08028	1.0
135.11688	0.9
137.02299	1.0
137.05968	1.3
137.13200	0.4
139.03883	50.6
141.06995	1.2
143.04918	0.9
143.08542	1.7
145.06474	1.1
145.10121	2.4
147.04396	2.6
147.08040	1.3
147.11665	2.4
149.05962	1.2
149.09599	1.1
149.13239	0.8
150.03003	0.5
151.03885	1.3
151.11125	0.5
153.01782	0.5
153.05447	0.6
153.06946	0.4
155.03441	0.8
155.08609	1.0
157.06487	1.5
157.10132	2.2
159.04410	0.6
159.08119	1.0
159.11644	1.9
160.05222	0.6
161.05992	2.7
161.09604	1.0
161.13269	0.9
163.03888	24.2
163.07533	0.9
163.11180	0.7
165.05452	1.1
165.06970	0.6
167.08542	0.6
169.06468	1.5
169.10120	1.2
170.24588	0.5
171.04324	0.5
171.08037	0.9
171.11731	1.2
173.05957	4.0
173.13213	1.9
175.03893	0.5
175.07584	1.1
175.11209	0.9
175.14793	0.9
177.05464	0.9
179.03368	0.4
179.08537	0.6
181.06555	1.2
181.10159	0.6
183.08119	1.0
183.11679	1.0
185.05998	0.7
185.09648	0.4
185.13251	1.4
187.03888	0.8
187.07568	1.8
187.14812	1.3
189.05469	3.9
189.09061	0.5
191.07043	0.5
191.14282	0.8
193.12292	1.7
195.08026	0.6
195.11752	0.9
197.06009	1.1
197.13268	0.8
199.07579	1.5
199.14815	1.2
201.05476	1.5
201.09123	1.2
201.12724	0.6
201.16423	0.6
203.07059	1.0
203.14340	1.1
211.07590	1.0
211.13281	2.1
211.14975	0.7
213.05476	0.7
213.09103	0.7
213.16362	0.9
215.03499	0.5
215.06953	2.0
215.14325	1.0
217.08636	0.5
221.15363	0.5
223.14828	0.5
225.05582	0.6
227.07007	1.1
229.15959	0.7
233.15527	0.4
241.04889	1.9
243.06619	0.8
243.13866	1.0
247.13234	0.5
251.07086	0.5
253.04993	0.9
255.06560	1.1
257.15613	0.5
267.06479	0.5
269.04236	0.5
269.08105	0.7
269.15292	0.6
270.05142	0.6
271.05878	3.1
272.06790	0.7
273.07562	2.5
282.05219	1.0
283.06122	1.2
285.07642	0.7
289.14435	0.5
293.15430	0.6
295.06097	1.4
297.07748	0.9
297.14822	1.0
299.05478	1.6
299.16357	0.6
300.06271	0.5
301.14264	0.6
309.07327	2.4
309.14905	0.5
311.16425	1.2
315.15991	2.3
319.15448	0.5
321.16821	1.3
323.09125	0.5
327.15863	4.9
329.17261	0.5
333.16922	7.6
339.16000	1.5
344.16254	0.5
345.16904	12.4
353.24747	0.9
357.16812	1.4
419.29514	1.3
421.16391	4.4
422.88589	0.4
429.17056	0.7
435.29324	0.6
437.19473	1.1
437.30521	1.1
439.17703	1.0
447.18011	8.5
447.28323	0.7
465.19083	23.0
465.29636	1.0
466.19525	1.0
483.21915	100.0
484.22314	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	483.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.5
65.03948	3.0
66.33213	1.9
67.05497	22.8
67.38661	2.2
68.99773	2.2
69.03425	100.0
69.07043	12.1
71.04981	9.1
73.51119	1.9
75.35294	2.0
79.05484	17.3
81.03429	5.3
81.07053	33.7
83.04968	9.3
83.08608	8.0
85.02901	6.2
85.06544	2.6
86.09679	2.5
91.04938	3.3
91.05476	28.8
93.07043	35.3
95.04955	16.1
95.08602	44.3
97.02906	3.2
97.06519	5.1
97.10153	7.0
99.04451	64.3
99.08096	4.0
105.07018	50.4
107.04930	5.9
107.08592	46.5
109.02894	12.3
109.06499	5.8
109.10149	29.5
109.24665	2.4
111.04420	12.7
113.05981	4.0
115.05435	4.8
117.06991	16.3
119.08576	79.6
120.08881	2.4
121.06500	5.4
121.10145	24.1
123.04408	12.8
123.08106	3.9
123.11688	6.9
125.05969	3.4
125.09645	3.0
127.03916	8.1
128.06207	4.9
129.06982	10.1
130.07759	2.7
131.04927	3.3
131.08562	39.5
133.06534	3.6
133.10121	42.5
135.08067	6.6
135.11699	11.6
137.05952	6.0
137.09650	3.3
137.13260	3.5
139.03889	53.7
141.06960	6.0
142.07693	5.2
143.08559	25.9
144.09322	4.9
145.06461	7.1
145.10115	71.3
147.04388	4.6
147.08023	3.8
147.11681	27.4
149.05995	8.1
149.09662	4.1
149.13240	18.5
151.03822	3.2
151.07507	2.8
151.11234	2.5
153.01863	4.1
153.06987	4.2
155.08498	11.7
156.09325	8.5
157.06488	4.0
157.10121	35.1
158.10934	5.5
159.07956	4.7
159.11688	58.1
161.05995	13.6
161.09607	10.0
161.13239	33.0
163.03908	31.1
163.07518	6.0
163.14807	14.2
165.05469	2.9
165.06894	3.2
167.08575	7.0
168.09282	3.1
169.06473	3.8
169.10103	18.6
170.10893	6.4
171.08093	2.1
171.11665	25.3
172.12439	2.6
173.05971	18.6
173.09601	6.4
173.13249	40.5
175.07541	7.1
175.11163	7.2
175.14850	16.7
177.12723	3.2
177.16377	3.0
179.08551	2.8
181.10081	6.8
182.10873	5.3
183.08092	2.5
183.11668	26.6
184.12509	3.2
185.09642	2.8
185.13260	36.4
186.59558	2.3
187.07506	10.5
187.11098	3.5
187.14807	68.1
188.15152	2.3
189.05472	6.9
189.12758	15.0
189.16374	20.1
191.14320	8.4
193.10254	2.9
195.11710	9.4
197.13269	24.0
199.07562	5.8
199.11133	3.3
199.14810	25.7
201.09143	7.2
201.12796	9.0
201.16353	33.8
203.08562	3.1
203.14317	17.9
203.17953	3.3
205.15897	3.5
207.11720	4.9
207.13693	3.4
209.13211	6.4
211.07545	6.7
211.14807	10.9
213.09041	2.7
213.12701	9.4
213.16348	10.4
215.07022	2.8
215.14249	16.6
215.17940	4.0
217.12267	4.9
217.15839	4.1
219.13776	7.0
221.13287	4.6
221.15331	4.1
223.14934	6.3
225.12784	2.2
225.16344	4.7
227.06935	2.8
227.14255	5.0
227.17894	3.3
229.15877	9.7
231.13829	6.0
233.13350	3.1
233.15396	13.5
237.16342	5.0
239.14323	3.1
239.17986	4.7
245.15349	4.2
247.17012	3.6
251.18076	3.6
253.12158	2.4
263.18063	2.6
269.15323	3.4
287.16440	2.5
313.14481	3.7
315.15912	28.3
317.08456	5.0
321.25510	3.0
323.27518	2.7
325.14548	2.7
327.15680	2.5
333.16901	19.1
339.15906	3.0
367.26239	9.2
383.27539	3.8
389.28473	6.7
401.28287	11.9
403.30124	5.4
406.18790	2.6
417.27707	2.7
419.29266	13.8
421.16431	11.4
421.31079	7.3
429.27634	3.1
435.28925	9.2
437.30722	20.7
439.32059	9.2
447.18600	2.7
447.29013	15.2
465.19504	12.3
465.30035	26.5
483.18655	13.3
483.31290	27.6
484.19492	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	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03853	0.7
53.04068	0.4
55.01777	0.5
55.02002	0.3
55.05381	2.1
55.05686	1.1
57.06981	0.5
57.07226	0.4
65.03827	0.5
67.05354	6.1
67.05762	1.9
69.03279	1.2
69.06917	2.7
69.07339	0.9
70.24625	0.7
70.25039	1.1
71.04874	0.5
79.05330	4.9
79.05852	1.3
80.21397	0.3
81.03304	0.4
81.06890	9.2
81.07428	2.1
82.01706	0.3
83.04803	1.4
83.08457	1.3
83.08979	0.6
85.02769	0.7
91.05311	7.4
91.05941	1.1
93.06868	10.4
93.07520	1.6
95.04797	2.4
95.05476	0.6
95.08430	11.3
95.09113	1.8
97.02719	0.3
97.06349	2.2
97.10024	0.4
98.20834	0.4
98.21388	0.4
99.81169	0.3
101.92705	0.3
103.05360	0.6
105.04388	0.4
105.06844	13.5
105.07631	1.9
107.04749	0.4
107.08409	13.3
107.09216	1.5
108.08753	0.4
109.06338	1.7
109.09966	8.2
109.10798	0.9
110.31039	0.3
111.04309	0.4
111.07872	2.1
111.92159	0.3
113.05830	0.5
115.05264	1.1
117.06837	3.1
119.08382	20.0
119.09315	2.0
121.06322	1.7
121.09944	8.5
121.10885	0.8
123.04287	0.6
123.07877	3.1
123.11507	1.7
125.05828	0.5
125.09460	0.5
128.06160	1.5
129.06795	3.0
130.07556	1.1
130.08473	0.4
131.08360	10.6
131.09457	1.0
133.06390	0.6
133.09921	11.8
135.07841	1.8
135.11482	4.5
136.35512	0.3
137.09407	1.4
139.03688	1.8
139.07419	0.4
141.06795	1.3
141.08954	0.5
142.07576	2.9
143.08354	9.6
143.09537	0.6
144.09100	1.5
145.06361	0.8
145.10110	17.7
145.11122	1.0
145.77174	0.3
147.07854	1.3
147.11676	6.6
149.05762	2.4
149.09552	1.7
149.13226	2.0
151.07394	0.6
151.11034	0.7
152.17902	0.3
153.06815	0.6
153.08893	0.3
154.07607	0.7
155.08537	4.6
156.09328	3.2
157.10115	13.2
157.11304	0.6
158.10745	0.7
159.07915	0.8
159.11682	11.7
159.12901	0.6
161.05850	0.4
161.09415	1.4
161.13240	5.3
163.03740	1.0
163.07336	1.4
163.10982	1.1
163.14821	1.7
165.06819	0.4
165.12584	0.4
167.08359	1.5
168.09113	1.4
169.10114	7.2
170.10910	2.8
171.07819	0.4
171.11674	8.4
173.05896	0.4
173.09378	1.0
173.13251	9.2
174.13454	0.3
175.07408	0.6
175.10974	0.9
175.14828	3.1
177.08949	0.6
177.12538	1.1
177.16164	1.2
178.07492	0.4
179.08405	0.6
180.09059	0.4
181.10114	2.8
182.10921	2.1
183.11679	8.6
184.12219	0.9
185.09502	0.6
185.13240	11.3
187.07343	0.5
187.11008	0.7
187.14810	7.5
189.08951	0.5
189.12717	2.3
189.16301	1.6
191.14084	1.4
193.09998	0.8
194.10622	0.6
195.11674	2.8
196.12195	0.6
197.09518	0.3
197.13251	7.1
198.13560	0.5
199.10971	0.6
199.14801	9.2
201.08952	0.7
201.12706	1.9
201.16403	2.3
201.97231	0.3
203.14319	3.3
205.15950	1.7
207.11446	1.3
208.12256	0.5
209.11502	0.3
209.13234	3.1
211.11284	0.3
211.14827	4.1
212.15474	0.4
213.12604	0.9
213.16313	2.6
215.10585	0.7
215.14256	2.1
215.17772	0.7
217.12038	0.4
217.15848	3.3
219.13599	0.5
221.13023	1.3
221.15013	0.5
222.13683	0.4
223.14856	1.7
224.15320	0.5
225.12544	0.7
225.16183	1.3
227.14149	0.7
227.17743	0.9
229.12231	0.7
229.15663	1.1
231.13591	1.4
233.13045	0.4
233.15181	0.7
235.14685	0.8
235.16795	0.6
237.16423	1.7
239.14145	0.6
239.18008	1.6
241.19414	0.5
243.13596	1.3
245.15179	0.7
247.14629	0.6
249.16249	1.0
251.17809	1.0
253.19315	0.8
255.13667	0.4
255.17262	0.5
257.15140	1.5
261.16025	0.4
263.17905	0.7
265.19400	0.4
269.18741	0.5
271.05927	0.3
271.16980	0.6
277.19614	0.6
279.20834	0.9
280.21442	0.4
297.18478	0.4
297.21970	0.4
299.05298	0.9
301.19617	0.5
307.20801	0.4
371.27042	0.5
383.27484	0.8
389.28409	1.4
391.29788	0.5
401.28290	3.0
403.30170	0.7
417.27844	0.9
419.29459	3.9
420.28882	0.4
421.31290	0.4
429.27875	1.7
435.28912	100.0
436.29163	3.6
437.30472	1.4
447.28833	3.9
453.29874	0.6
465.15686	1.1
465.30002	4.7
476.31564	8.6
477.32126	0.6
483.16403	0.6
483.31085	18.9
484.31812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01857	3.3
55.05506	13.7
57.03429	3.6
57.07056	2.8
59.04987	2.6
60.08126	2.2
65.03938	3.2
67.05499	24.3
69.03421	14.2
69.07055	12.3
69.81279	5.6
69.81690	7.1
70.07397	2.0
71.04978	3.8
79.05476	20.5
81.03397	2.7
81.07045	35.2
83.04967	6.9
83.08606	6.2
84.08918	1.6
85.02914	9.1
85.06530	3.9
86.09687	9.9
91.05475	33.2
93.07032	41.9
95.04948	14.4
95.08600	42.2
97.02874	7.6
97.06519	10.1
97.10164	3.3
99.04427	3.4
99.08074	10.5
103.05482	2.4
105.07019	60.7
107.04959	2.5
107.08590	54.8
108.08935	2.8
109.02827	4.8
109.06518	12.4
109.10134	22.9
110.06808	2.3
111.04398	6.1
111.08045	5.2
115.03899	5.6
115.05399	3.9
117.07007	17.7
119.04940	4.2
119.08568	100.0
120.08078	2.2
121.06493	10.3
121.09294	2.9
121.10130	38.8
123.04436	16.2
123.08036	8.7
123.11673	9.5
124.99957	5.4
125.05949	3.5
125.09571	4.1
127.03922	6.5
127.07503	4.9
128.06163	6.0
129.05513	2.5
129.07014	11.4
130.07796	2.9
131.07574	2.9
131.08557	58.5
133.06467	8.3
133.10112	56.5
135.08038	13.7
135.11652	19.8
137.05930	9.1
137.09573	5.8
139.03871	6.2
139.07541	2.8
141.07024	4.3
142.07773	8.8
143.08543	32.5
144.09319	6.2
145.06477	3.4
145.10101	73.5
147.04396	7.5
147.08017	6.8
147.11673	46.2
149.05977	3.4
149.09535	9.3
149.13249	8.0
150.10535	1.7
151.03868	5.8
151.07498	4.0
151.11166	4.3
153.09068	3.0
155.08482	10.5
156.09373	10.4
157.10100	40.4
158.10872	4.1
159.08055	8.8
159.11676	53.9
161.05960	4.9
161.09644	10.5
161.13223	27.7
163.03859	6.4
163.07515	6.9
163.11171	8.9
163.14862	6.2
165.05492	19.3
165.06857	3.7
165.09140	3.5
165.12781	4.9
166.07726	2.0
167.07181	2.2
167.08566	4.2
168.09325	4.0
169.10114	17.3
170.10924	9.3
170.12192	2.1
171.08092	1.9
171.11688	35.4
173.05873	2.9
173.09583	5.8
173.13248	40.7
175.07562	2.2
175.11157	9.6
175.14824	19.8
177.05441	4.6
177.09108	3.8
177.12738	6.7
177.16331	4.6
179.03316	2.1
179.10602	3.0
181.10095	6.5
182.10918	4.0
183.07942	2.6
183.11688	29.7
184.07317	28.8
185.09631	3.0
185.13229	35.2
187.07497	3.3
187.11171	7.7
187.14792	58.1
188.15192	2.3
189.05449	3.0
189.09048	1.9
189.12706	25.3
189.16319	9.1
191.07005	2.9
191.10553	2.5
191.14307	8.7
193.10126	4.3
193.12245	2.5
195.11699	7.8
196.12485	2.0
197.13235	17.8
199.11182	4.7
199.14806	30.8
200.15121	2.3
201.09026	2.1
201.12787	18.8
201.16365	46.4
203.10594	3.4
203.14313	11.1
203.17969	6.2
205.12218	6.0
205.15872	6.5
207.06546	3.8
207.11798	4.2
207.13821	5.9
209.13281	10.4
211.14803	11.9
213.12785	9.5
213.16434	9.9
215.14287	11.7
215.17883	2.5
217.12073	4.6
217.15865	8.1
219.13719	11.8
219.17328	3.9
221.13295	3.3
221.15385	6.6
223.14821	5.1
225.12807	2.5
225.16385	5.5
227.14322	6.9
227.17851	4.0
229.12393	2.4
229.15880	6.8
231.13803	7.9
233.13354	2.3
233.15402	9.3
235.13168	5.1
235.16817	2.6
239.17955	4.1
243.13762	3.1
245.15390	8.7
247.16966	6.3
251.18045	3.3
253.15794	2.3
253.19424	2.3
255.17497	2.1
257.15347	3.9
259.16959	3.6
265.19589	3.4
277.19547	1.9
279.21191	2.5
307.24286	2.5
313.17947	3.4
317.10226	10.9
331.18796	2.6
365.24561	2.7
383.27029	2.2
389.28210	6.6
391.29971	13.3
401.28592	13.2
407.29337	6.7
419.29431	26.4
421.31152	2.3
426.00250	1.9
435.28885	49.1
436.28970	2.1
437.30536	30.1
439.32132	3.3
447.29117	11.2
453.29645	2.3
455.31433	5.3
458.34299	1.9
465.18878	3.0
465.30023	22.5
476.31686	3.0
483.21075	5.9
483.31067	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01851	2.3
55.05505	9.6
55.88551	0.8
57.03414	1.1
57.07052	2.3
65.03913	2.3
67.05496	10.5
68.96812	0.7
68.99757	1.7
69.03405	4.4
69.07056	7.5
69.74686	1.6
69.75085	4.0
71.04964	1.4
79.05476	10.4
80.05836	0.7
81.03392	2.0
81.07048	19.0
83.04975	3.6
83.08603	3.0
85.02877	1.9
85.06524	1.4
90.30106	0.6
91.05469	12.2
93.07035	17.9
95.04947	5.2
95.08594	21.1
96.18214	0.8
97.02869	1.6
97.06519	6.2
97.10144	4.1
99.04458	1.5
99.08080	1.2
103.05458	1.8
105.07018	29.3
107.04910	2.3
107.08579	23.1
109.02848	1.0
109.06491	5.0
109.10141	10.0
111.04423	5.0
111.08076	3.3
115.04746	0.8
115.05450	3.1
115.07531	1.5
116.06205	0.9
117.07008	6.3
119.04938	0.7
119.08563	35.3
121.02854	0.8
121.06499	6.1
121.10123	13.0
123.04413	11.0
123.08048	5.7
123.11680	4.1
125.05978	1.0
125.09621	2.6
125.47926	0.7
127.03902	2.6
128.06192	2.5
129.06982	6.9
130.07742	1.1
131.04907	2.2
131.08548	23.2
133.06456	2.3
133.10110	22.5
135.04384	1.1
135.08000	3.9
135.11678	6.5
137.05948	3.3
137.09584	4.4
137.13249	0.8
139.03883	100.0
139.11217	0.9
140.04216	3.4
141.06973	4.0
142.07753	5.1
142.16998	0.7
143.04909	1.4
143.08548	14.8
143.10716	0.8
144.09320	1.8
145.06448	3.2
145.10100	30.0
147.04404	2.9
147.08031	3.2
147.11664	14.1
149.05936	4.6
149.09630	3.5
149.13223	3.7
151.03906	6.2
151.11185	1.1
153.01703	0.7
153.05522	1.1
153.06982	1.6
153.09087	1.1
154.07809	1.1
155.03424	0.9
155.08513	9.2
156.09320	4.1
157.06516	2.0
157.10101	19.9
158.10815	2.4
159.08029	2.9
159.11682	20.9
161.05968	11.9
161.09610	5.2
161.13249	10.4
163.03883	27.9
163.07526	2.1
163.11121	4.1
163.14809	5.1
164.04184	1.0
165.05490	8.8
165.06833	1.7
165.09071	0.8
167.03333	0.7
167.07159	1.0
167.08554	2.5
167.10716	1.3
168.09274	2.5
169.05110	0.7
169.06456	1.4
169.10110	7.3
170.10881	3.0
171.08078	1.3
171.11667	17.8
172.12471	0.8
173.05957	14.0
173.09642	3.6
173.13228	26.8
175.07526	3.2
175.11156	4.8
175.14807	12.6
177.05487	3.4
177.12727	2.2
177.16368	2.1
177.63742	0.7
179.03375	5.4
179.07054	0.9
179.08507	1.7
179.14339	1.0
180.03769	0.7
181.06479	2.0
181.10080	2.5
182.10912	3.6
183.08054	2.0
183.11679	11.8
184.12389	0.9
185.05959	1.5
185.09622	0.9
185.13237	15.3
187.07539	7.8
187.11179	2.9
187.14809	23.1
189.05409	3.8
189.09050	1.1
189.12714	7.2
189.16345	5.5
191.07089	1.7
191.14297	19.4
193.08586	2.1
193.12251	1.7
193.15869	1.3
195.08092	1.2
195.11700	3.8
195.13431	0.7
196.12346	1.1
197.06035	0.8
197.09566	1.1
197.13251	11.6
199.07498	5.6
199.11119	3.6
199.14796	17.0
201.05455	2.1
201.09094	5.0
201.12727	7.2
201.16393	5.9
203.10661	0.9
203.14313	11.1
203.17995	2.1
205.12376	0.9
205.15845	6.4
207.06340	1.0
207.11819	1.3
207.13754	2.0
207.17474	1.4
209.13196	2.6
209.15170	0.8
211.07507	1.9
211.11269	0.9
211.14758	3.9
213.05490	1.7
213.09120	2.7
213.12773	1.9
213.16330	5.3
215.06985	2.2
215.10890	0.9
215.14313	10.5
215.17917	2.1
217.12213	4.8
217.15794	5.6
219.13872	1.8
219.17241	1.7
221.13350	1.1
221.15311	10.1
223.07504	1.4
223.14771	1.9
223.16800	0.9
225.05467	0.8
225.09099	1.6
225.16371	2.7
227.10677	0.8
227.14316	1.4
227.17982	1.7
229.15874	2.1
231.13721	1.6
231.17447	2.0
233.11516	1.0
233.15309	3.4
235.16878	5.1
237.16394	1.4
239.17928	2.0
241.15869	1.2
241.19582	1.0
243.13792	2.3
243.17523	1.7
245.11652	0.9
245.15334	1.4
247.17012	0.8
249.12628	0.8
251.06992	0.8
251.14409	1.2
251.17934	1.8
253.14326	1.2
253.19580	1.6
257.15527	0.9
261.14822	1.5
263.12686	4.8
263.18082	0.8
265.19250	1.5
267.06497	1.1
267.13751	0.9
269.15329	1.9
271.05988	5.2
283.05978	3.0
285.14896	2.8
287.16608	1.9
289.14200	1.2
295.05884	5.0
295.09198	0.8
296.06409	1.0
297.07660	2.2
297.14923	2.1
299.16553	1.0
303.08463	0.9
303.15820	1.7
305.17606	2.3
309.07602	2.7
313.07001	6.9
313.14478	1.3
313.17892	1.7
315.15887	17.1
316.16257	1.5
317.10379	4.4
323.09021	1.5
325.14438	0.8
327.15909	2.5
331.19064	2.5
333.17001	6.3
334.17245	0.9
335.09399	1.5
339.15790	4.5
345.16962	3.2
357.16864	2.0
385.49881	0.8
389.28278	0.9
391.29956	2.5
401.28555	4.2
407.29401	2.7
417.27829	1.1
419.29483	9.2
421.16403	4.3
427.18021	0.8
429.16730	1.3
429.27887	1.4
435.29196	3.5
437.30511	14.9
438.30939	1.0
439.17496	1.5
439.32291	1.4
447.18024	5.6
447.28860	4.1
453.30051	3.6
465.19205	11.5
465.29849	9.9
466.19263	1.8
483.20569	9.6
483.31052	26.1
484.20688	1.3
484.31625	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99641	1.3
53.03927	2.0
55.01849	1.5
55.05508	8.7
57.07039	1.7
65.03932	2.3
67.05498	18.0
67.93330	1.4
69.03422	100.0
69.07069	9.2
69.53920	9.0
71.04977	2.0
72.88005	1.2
79.05486	13.5
79.08830	1.2
81.03407	18.5
81.07047	21.8
83.04970	5.9
83.08620	7.6
87.97656	1.2
91.05466	22.2
91.05994	2.0
93.07032	25.2
95.04952	13.1
95.08599	28.2
97.06538	3.6
97.10154	2.1
99.04443	57.2
99.08079	1.5
105.07016	34.4
107.04946	4.2
107.08578	25.8
109.02878	6.7
109.06515	3.4
109.10142	23.1
111.04430	6.9
111.08070	3.0
115.05442	2.6
117.06983	9.9
119.04911	1.4
119.08568	46.6
121.06467	2.7
121.10130	16.5
123.04415	18.2
123.08031	3.2
123.11672	6.6
124.30030	1.3
125.05973	1.6
127.03908	5.4
128.06189	3.6
129.07021	9.7
130.07768	2.7
131.04945	1.4
131.08565	24.6
133.06424	1.8
133.10120	25.2
135.04370	3.0
135.11697	6.3
137.13290	3.4
139.03900	6.6
141.06990	3.3
142.07803	5.1
143.08519	15.3
144.09349	2.8
145.06447	2.5
145.10107	55.2
147.07973	2.6
147.11679	16.3
149.09634	3.8
149.13251	13.1
151.07465	1.5
154.07678	1.4
155.08545	7.1
156.09372	4.2
157.06433	1.7
157.10103	24.4
158.10901	2.2
159.08073	2.6
159.11664	33.7
161.05925	1.4
161.09625	3.1
161.13237	18.9
163.03880	47.3
163.05206	2.7
163.07538	3.6
163.11133	2.1
163.14799	14.1
167.08533	3.5
168.09444	2.6
169.10109	8.5
170.10899	4.2
171.11639	15.8
172.12538	2.5
173.05983	2.1
173.09669	3.1
173.13237	23.4
175.11200	5.8
175.14827	8.3
177.12674	1.6
177.16322	2.0
181.10046	2.3
182.10867	2.5
183.11691	12.2
184.12357	1.4
185.06039	1.4
185.09636	1.4
185.13249	24.8
187.07648	1.6
187.11234	2.6
187.14804	57.5
189.12750	5.9
189.16339	12.5
193.12227	7.4
195.11668	4.5
197.13261	12.6
199.11145	2.3
199.14799	17.9
201.12701	3.5
201.16377	18.8
203.14328	15.1
203.17975	2.2
205.12309	1.9
207.11731	1.7
207.13744	1.5
209.13347	2.1
211.13120	10.6
211.15009	2.8
213.12708	3.5
213.16331	7.9
215.07016	2.0
215.14308	12.1
215.17885	2.2
217.15953	2.0
219.13792	3.1
221.13202	1.8
223.14896	2.3
225.16400	3.4
227.14244	2.0
227.17976	3.6
229.15912	3.0
229.19624	1.5
231.13744	1.7
233.15337	12.8
237.16478	3.5
239.17999	1.9
241.04958	7.0
241.86086	1.4
243.06544	3.3
243.13905	2.2
245.15413	4.4
247.17032	2.8
249.16382	1.5
255.06383	2.5
259.16962	2.4
263.18076	2.6
265.19629	1.5
269.07898	2.0
271.05994	12.0
272.06631	3.4
283.06064	3.7
297.07599	2.4
309.07462	3.6
309.25580	1.9
315.15982	5.2
321.25742	2.9
323.27194	3.0
333.16901	13.1
367.26413	8.6
385.29047	1.6
389.28201	1.7
401.28339	4.8
403.29990	4.4
419.29556	7.0
421.16458	11.3
421.30829	7.0
435.28680	2.4
437.19897	1.8
437.30331	12.2
439.17679	3.6
439.32117	7.0
447.18134	5.5
447.28882	6.2
465.19092	53.8
465.29266	9.3
466.19254	6.3
483.20273	13.8
483.30997	16.2
490.30417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78736	3.1
54.27629	4.0
55.05499	11.6
55.67551	3.6
56.96559	9.0
57.03435	3.9
59.42942	3.3
67.05495	20.8
69.03067	7.2
69.03424	100.0
69.07047	9.1
71.61946	4.2
79.05505	17.4
81.03419	8.4
81.07048	43.3
82.88123	3.4
83.04984	9.0
83.08630	4.2
91.05460	19.6
93.07038	28.9
95.04964	15.7
95.08593	30.3
97.06525	5.7
99.04444	58.6
102.91283	3.3
105.07014	46.0
107.08578	29.3
109.02870	8.8
109.06493	12.2
109.10129	34.3
111.04381	5.7
111.08094	3.5
117.07019	13.7
119.08563	67.4
121.06499	6.1
121.10122	24.1
123.08039	7.2
123.11680	4.4
125.09608	4.3
127.03899	11.2
127.07504	6.2
128.06227	5.2
128.98546	4.1
129.06981	9.7
131.08560	44.6
133.06563	5.9
133.10133	36.9
135.08095	3.9
135.11656	14.5
139.03864	10.6
141.07045	3.8
142.07799	6.1
143.08553	26.8
145.10100	55.7
147.04404	4.2
147.11667	21.5
149.13246	11.2
155.08549	15.7
156.09341	5.9
157.10161	25.2
159.08037	9.8
159.11685	49.9
161.13234	29.0
163.03886	8.6
163.14792	9.9
167.08511	7.2
169.10109	14.1
171.11696	22.2
173.13266	29.5
175.11136	4.4
175.14749	18.3
177.16318	4.8
181.10022	4.0
182.10861	5.6
183.11613	19.5
185.13232	35.5
187.11130	7.0
187.14816	68.9
189.12698	8.1
189.16383	15.5
191.10609	4.2
191.14326	4.0
193.04941	6.5
194.05276	4.1
195.11636	9.5
197.13240	20.9
199.14841	24.6
199.16457	5.8
201.12730	7.7
201.16306	19.0
203.14302	26.3
205.15909	5.0
209.13351	9.1
211.14824	8.4
213.12834	6.7
213.16348	9.1
215.14319	20.5
217.15897	3.8
225.16408	6.7
227.14534	4.3
229.15939	4.6
233.15369	20.1
235.16989	4.0
241.11012	8.2
253.19560	3.9
259.12161	8.1
264.12796	4.4
312.41135	4.4
339.04120	5.3
349.16708	23.3
367.17993	20.2
367.26404	17.7
390.19678	7.4
401.28336	7.2
419.29327	17.1
421.31219	6.6
423.20416	7.9
429.27945	6.8
435.29034	5.4
437.30624	26.2
447.28870	21.2
465.30042	24.7
483.21646	7.0
483.31021	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2869
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05494	2.1
55.59089	0.6
57.03432	7.2
57.07068	25.0
67.05502	4.3
69.07059	6.0
70.42190	2.4
71.08624	18.5
74.40563	0.7
76.46568	0.6
79.05460	0.7
81.07050	6.6
83.08614	4.7
83.31152	0.6
85.10171	9.5
85.58376	0.7
89.06030	0.7
95.08600	10.5
95.09518	0.7
97.10151	2.1
98.98469	4.7
103.07587	0.8
103.16873	0.7
107.08631	0.7
109.10143	3.9
118.99180	0.7
123.11669	1.5
132.30646	0.6
135.11694	0.7
155.01001	2.8
215.96222	0.7
239.23718	1.6
257.24814	1.4
313.27335	100.0
314.27698	2.8
317.63666	0.8
449.26135	1.1
485.32498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.58403	1.1
55.05508	7.5
64.12778	1.2
65.03921	2.5
67.05505	11.9
69.03419	4.5
69.07066	8.8
71.34684	1.9
71.35011	2.2
73.79108	1.2
79.05487	11.9
81.07053	26.5
83.04974	3.0
83.08606	5.1
91.05487	12.4
93.07034	25.1
95.04962	10.9
95.08602	34.2
97.02888	1.4
97.06546	7.2
99.08102	1.8
105.06362	2.9
105.07022	34.1
105.07744	1.8
107.08585	33.7
109.06529	7.7
109.10147	13.3
111.08080	3.6
117.07030	6.8
119.08573	53.4
121.06502	5.7
121.10139	27.4
123.08072	7.5
123.11703	4.8
125.06010	2.0
125.09637	4.9
129.07007	2.9
131.08556	19.3
133.10130	27.5
135.08067	5.3
135.11673	11.7
137.09586	4.1
139.07561	2.0
141.07013	2.1
142.07793	3.0
143.08546	12.9
144.09343	2.6
145.10114	31.9
145.11241	1.8
147.08049	3.6
147.11664	21.2
147.12733	1.6
149.09619	5.9
149.13252	7.9
151.11119	2.6
153.09084	2.7
155.08572	6.2
156.09360	4.3
157.10112	18.1
158.10931	1.5
159.08032	4.2
159.11682	23.6
161.09631	6.2
161.13234	12.2
163.07524	2.4
163.11212	4.6
163.14825	9.9
166.97375	1.3
167.08597	2.3
167.10529	1.4
168.09428	2.2
169.10123	5.8
170.10907	2.9
171.11685	12.3
173.09613	1.5
173.13248	18.1
175.11253	5.3
175.14790	24.9
177.12784	4.2
177.16396	9.3
180.03627	1.6
181.10066	1.9
182.10901	1.9
183.11682	7.4
185.13237	14.4
187.11221	5.3
187.14781	30.8
188.15230	1.3
189.12744	6.9
189.16356	14.6
191.14351	4.3
191.17990	4.0
193.12358	1.5
193.15953	1.9
195.11700	4.2
197.13255	7.8
199.14780	10.7
201.12743	5.0
201.16365	12.3
203.14249	11.7
203.18018	4.0
205.12372	1.5
205.15877	8.2
207.11708	2.1
209.13284	3.8
211.14888	5.7
213.12811	2.9
213.16360	7.2
215.14386	9.4
215.17976	4.3
217.15921	7.0
219.13832	3.9
219.17444	2.7
221.15381	5.5
223.14873	2.4
225.12793	1.8
225.16464	2.9
227.14203	1.8
227.18047	4.6
229.15883	4.5
229.19507	3.6
231.13824	3.3
233.15323	20.5
235.14838	1.8
235.16937	5.0
237.16531	2.2
239.17892	3.2
241.19531	3.1
245.15312	3.3
247.16948	8.9
249.14740	11.8
253.19556	2.8
257.19095	4.5
263.18079	1.6
267.21085	2.3
269.18985	1.3
273.18448	3.3
279.21088	4.2
287.20062	3.0
293.22458	2.4
299.20105	2.3
313.21576	2.2
315.19812	2.2
365.24814	2.1
385.28848	2.4
391.30002	5.4
403.29987	11.0
405.31888	2.0
409.31500	2.3
419.29764	2.8
421.30991	28.2
431.29443	4.2
437.30472	6.0
439.32010	24.8
449.30505	21.7
455.31912	2.4
457.33017	1.8
467.31577	54.5
468.32132	1.7
485.32654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05497	8.3
55.06712	3.5
57.07035	4.0
60.11488	3.1
66.92620	3.1
67.05501	20.1
68.83999	3.3
69.07060	14.3
69.08485	3.3
70.89074	8.9
79.05482	14.9
81.07052	37.7
83.08613	5.8
85.06558	4.5
91.05437	21.8
93.07032	35.7
95.04977	5.7
95.08595	36.1
97.06519	9.5
105.07021	55.9
107.08582	49.8
109.06500	11.7
109.10149	23.0
117.07052	6.2
119.08568	100.0
121.06496	8.5
121.10133	34.7
123.08050	8.1
123.11674	7.2
128.06158	3.4
129.06946	5.2
131.08545	38.1
133.10123	47.5
135.08041	10.2
135.11725	15.6
137.09621	6.1
139.03940	3.5
142.07764	9.3
143.08511	26.8
144.09407	5.3
145.10101	64.0
147.08055	7.8
147.11650	36.1
149.09592	6.9
149.13249	10.9
151.03856	4.3
155.08514	7.6
156.09407	6.0
157.10109	31.5
158.10902	5.3
159.11681	45.7
161.09592	9.3
161.13278	25.4
163.11172	13.2
163.14810	10.5
167.08551	3.9
169.10098	17.6
171.11662	22.1
173.09674	3.5
173.13251	40.0
175.11192	7.7
175.14806	27.4
177.12730	8.6
177.16402	9.0
182.10777	4.3
183.11662	18.3
184.12460	4.8
185.13210	30.4
187.14787	37.6
189.12672	12.7
189.16379	15.7
191.14313	14.2
191.17969	5.1
193.12125	7.9
195.11581	4.3
197.13220	15.4
199.14792	41.1
201.12813	4.0
201.16373	52.9
203.14243	19.5
203.18004	14.8
205.12119	3.8
205.15903	4.2
209.13275	4.4
210.14078	5.4
211.14850	8.4
213.12724	3.9
213.16391	15.1
215.14331	8.9
215.17932	18.8
217.15805	10.2
219.13765	4.2
221.13237	3.6
221.15294	9.4
223.14810	6.7
225.16408	6.0
227.17937	12.4
229.15808	6.0
229.19373	4.3
231.17186	3.6
233.15250	7.0
235.16936	6.5
239.16214	6.7
241.19508	9.7
245.15318	14.2
247.16862	12.8
251.17853	3.7
253.19559	14.3
255.21091	9.8
259.16928	4.5
261.18756	4.1
267.21075	4.7
273.18396	5.4
279.21057	4.5
287.20044	8.0
299.20093	7.5
385.28784	5.1
391.30109	5.2
393.31589	4.3
403.29944	27.0
405.31073	3.7
419.29333	6.8
421.30975	56.3
423.32590	5.3
431.28946	7.3
437.30264	11.2
439.32062	33.1
441.33765	8.3
449.30566	30.3
467.31625	39.1
485.32733	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	485.3255
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03855	0.4
55.01802	0.3
55.05383	1.9
55.05687	0.9
57.06982	0.6
57.07232	0.4
67.05365	4.3
67.05762	1.3
67.88855	0.3
69.03328	0.5
69.06912	1.7
69.07334	0.6
70.68141	1.0
78.99897	0.3
79.05338	4.3
79.05831	0.8
81.06898	10.2
81.07434	1.9
83.04872	0.6
83.08453	1.2
83.91387	0.3
85.02816	0.4
85.06426	0.7
91.05313	5.3
91.05918	0.7
93.06873	8.4
93.07519	1.1
95.04790	1.5
95.05413	0.6
95.08434	9.6
95.09105	1.1
97.06348	1.4
97.10039	0.3
105.06848	11.2
105.07635	1.3
105.89471	0.3
107.08412	10.4
107.09212	1.1
109.06337	3.4
109.09972	6.9
111.07900	1.8
115.05351	0.4
117.06831	2.4
119.08389	16.1
119.09315	1.3
121.06384	0.7
121.09953	7.5
121.10886	0.5
123.04312	0.4
123.07879	2.6
123.11523	1.9
125.05736	0.4
125.09496	0.6
127.07349	2.6
128.06070	0.5
129.06815	2.0
130.07639	0.5
131.08368	9.3
131.09438	0.6
133.09929	10.6
135.07849	1.8
135.11494	4.3
137.09401	1.1
141.06790	0.9
141.08922	0.3
142.07761	1.8
143.08533	7.1
144.09200	0.7
145.10103	13.6
145.11113	0.6
147.07854	1.1
147.11671	6.3
149.09390	1.1
149.13232	2.1
151.11021	0.4
152.80240	0.3
153.08995	0.5
154.07561	0.4
155.08521	2.2
156.09326	1.8
157.10098	8.1
158.10722	0.7
159.07863	0.3
159.11679	9.4
159.12892	0.5
161.09386	0.9
161.13237	5.4
162.10283	0.3
163.07387	0.8
163.11005	0.7
163.14632	1.3
165.06956	0.5
165.12610	0.4
168.09261	0.6
169.10091	2.4
170.10623	1.0
171.11658	6.8
173.13243	6.8
175.07439	0.3
175.10980	1.3
175.14807	3.3
177.08919	0.7
177.12535	1.1
177.16280	0.7
178.63129	0.3
179.10406	0.4
181.09874	1.0
182.10681	1.2
183.11630	3.5
184.12227	0.5
185.13217	10.3
187.14795	12.0
187.77536	0.3
189.12537	1.3
189.16344	2.2
191.10484	0.4
191.14078	1.0
195.11693	2.4
196.12247	0.4
197.13234	4.0
199.14792	10.1
201.12582	1.0
201.16324	3.7
203.14325	1.8
203.17854	0.5
205.15768	2.1
207.11522	0.4
209.13222	1.9
211.14783	3.0
213.12675	0.5
213.16325	4.9
215.14310	2.2
215.17798	0.5
217.15851	3.4
219.13765	0.5
219.17299	0.4
221.13060	0.9
221.15117	0.6
223.14651	0.8
225.16182	1.3
227.14113	0.7
227.17751	1.1
229.15674	0.9
231.13840	0.7
231.17291	0.7
233.15198	1.1
235.14627	0.5
235.16786	0.6
237.16161	0.8
239.17744	1.2
241.19382	0.7
245.15175	1.3
247.16815	0.5
249.16386	0.5
251.17740	0.5
253.19438	0.9
257.15146	0.4
257.18976	0.4
259.16788	1.3
263.17661	0.6
265.19434	0.7
267.20761	0.4
273.18341	0.5
279.20856	0.7
291.20877	0.5
313.21497	0.4
365.24677	0.7
373.28683	0.4
385.28909	0.6
391.29880	1.4
403.29935	3.9
413.28543	0.4
419.29385	0.9
421.30963	4.8
431.29535	2.6
437.30463	100.0
438.30804	2.7
439.32373	0.6
443.91391	0.4
449.30533	4.1
455.32059	0.5
467.31656	3.4
478.33118	6.2
485.32608	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	485.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.4
60.73838	3.6
63.81791	3.3
66.80693	3.4
67.05497	23.4
69.03423	100.0
69.07065	12.6
70.13547	15.3
75.67678	3.8
79.05497	17.7
81.07053	38.0
83.04955	5.8
83.08625	6.4
83.95695	3.4
91.05470	25.0
93.07034	34.8
95.04968	19.2
95.08596	52.7
97.06532	4.1
98.21134	10.2
99.04446	47.2
105.07027	44.8
107.08585	40.7
109.02862	48.1
109.06512	4.8
109.10148	28.4
111.04453	17.0
117.06274	4.1
117.06989	19.3
119.08566	91.5
121.06548	4.8
121.10144	34.2
123.08036	4.4
123.11698	10.2
125.05909	3.6
127.03917	20.4
129.07016	12.2
130.07742	4.1
131.08542	37.4
133.06480	4.8
133.10114	57.2
134.29865	4.1
135.08083	5.2
135.11667	23.5
137.13280	4.6
141.06996	6.7
142.07748	8.2
143.08530	23.0
144.09293	5.5
145.06674	3.7
145.10112	87.4
147.08087	4.4
147.11693	27.7
149.13231	10.7
153.09123	5.9
155.08571	14.0
156.09337	6.9
157.10120	31.5
159.08038	10.1
159.11652	71.3
161.13232	37.7
163.11145	5.2
163.14787	5.5
167.08551	5.8
168.09312	7.1
169.10124	15.5
170.10954	5.1
171.11691	23.7
173.13239	21.5
175.11111	4.5
175.14828	10.7
177.09084	5.0
177.12729	4.1
177.16380	12.2
182.10934	12.1
183.11716	10.1
185.13226	36.9
185.82220	4.0
187.11217	10.6
187.14807	93.1
189.12700	12.9
189.16368	58.1
191.17970	19.4
195.11786	4.5
197.13232	31.8
199.14865	9.5
201.12711	9.6
201.16397	28.1
203.05832	4.1
203.14265	48.7
203.17923	12.4
205.16086	4.7
211.14702	6.3
213.16402	10.3
215.14294	53.3
215.17958	9.4
219.13757	9.1
227.14293	5.5
229.15863	8.4
233.15382	40.8
235.16939	37.7
245.15132	4.1
247.16884	28.5
251.16418	10.7
323.27402	7.0
367.18292	4.2
369.27948	6.6
403.29990	20.7
421.30994	36.1
431.29422	9.4
439.32098	29.6
449.30539	37.0
467.31540	22.9
485.32745	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	485.3259
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.01870	0.5
55.05502	2.0
57.07075	0.6
59.04979	0.6
64.32217	0.4
67.05494	2.7
68.49997	0.4
69.03408	0.5
69.07054	2.5
70.54166	1.3
79.05479	2.7
81.07050	5.1
83.04954	2.0
83.08607	1.5
91.05465	3.1
93.07030	5.4
95.04966	1.4
95.08595	9.0
95.09155	0.8
97.06531	1.6
97.10212	0.5
99.08080	0.4
105.06361	0.7
105.07022	9.2
107.08579	8.6
109.06513	0.9
109.10147	4.3
111.08095	1.2
117.07014	1.0
119.08568	12.6
121.06498	1.8
121.10125	8.0
123.08084	2.0
123.11694	1.2
125.09647	0.7
129.06998	0.8
131.08554	3.3
133.06496	1.4
133.09230	0.3
133.10124	7.9
135.08057	2.5
135.11676	3.6
137.09584	1.2
137.13246	0.6
141.06931	0.7
143.08551	3.0
145.10110	5.3
147.08061	1.0
147.11685	4.3
148.08678	0.4
149.09613	3.7
149.13252	2.0
151.11235	0.6
153.09102	1.3
155.08559	1.2
156.09277	0.5
157.10117	3.9
158.10924	0.5
159.07997	1.0
159.11693	5.8
161.09592	3.6
161.13232	3.5
163.11186	1.4
163.13545	0.4
163.14839	1.2
165.09053	0.6
169.10112	1.6
171.11671	3.3
173.09709	0.9
173.13237	4.7
175.11143	2.0
175.14792	6.7
177.12682	0.7
177.16344	0.9
181.10147	0.6
183.11644	2.7
185.13229	4.1
187.11171	1.3
187.14828	4.4
189.12761	3.1
189.16365	6.5
191.14320	1.3
191.17999	1.1
195.11711	1.3
197.13248	2.2
199.11208	0.9
199.14801	3.7
201.12733	1.1
201.16379	1.6
203.14238	2.9
205.08389	0.4
205.15912	0.9
207.13731	0.5
209.13249	1.0
211.14815	2.1
213.12741	3.0
213.16383	1.4
215.14362	1.5
215.17918	0.5
217.15950	2.4
221.15533	0.8
223.14703	0.5
225.12772	0.4
225.16461	0.8
227.14282	1.0
227.17958	1.6
229.15941	1.1
229.19411	0.5
231.13855	2.8
233.15369	0.5
235.14903	0.5
235.16975	0.7
237.16331	0.7
239.18059	0.8
241.15974	0.4
241.19447	0.5
243.17406	0.7
243.21313	0.5
245.15399	0.8
247.17064	0.6
249.14815	6.2
253.19435	1.2
255.17339	0.5
257.18954	0.8
265.16125	0.4
271.20502	1.2
281.19150	0.6
289.18051	0.8
299.20013	0.8
305.22809	0.5
307.20505	0.7
323.23636	1.6
325.21759	0.5
341.21030	1.3
343.22821	0.4
347.23621	0.4
351.22809	0.5
369.24326	1.4
371.25839	0.5
375.30304	0.5
379.29996	0.8
383.25531	0.4
393.31598	0.5
403.29745	2.8
413.26617	0.5
421.30945	4.9
423.28812	0.6
425.30634	2.7
431.29379	0.8
439.32031	4.9
441.29880	1.7
449.30396	5.7
467.24835	0.7
467.31500	16.8
485.32571	100.0
486.32715	2.8
508.76672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
53.47200	1.6
55.05499	12.6
57.03435	2.4
57.07061	2.9
61.53246	1.7
61.62601	1.4
65.03919	2.6
67.05493	17.7
69.03417	8.6
69.07063	13.0
69.29722	17.9
70.06577	10.3
71.04976	4.3
79.05487	15.0
81.03388	3.5
81.07047	33.0
83.04967	4.5
83.08591	5.5
85.02906	8.3
85.06544	2.5
86.09708	9.4
90.92760	1.6
91.04947	2.5
91.05463	24.2
93.07033	37.1
95.04976	9.1
95.08595	40.4
97.02864	3.0
97.06522	9.5
97.10139	3.8
98.20673	3.8
99.04448	2.3
99.08075	5.0
105.07019	66.4
107.04973	2.3
107.08579	50.1
109.06497	9.3
109.10133	23.9
111.08065	4.6
115.03875	2.4
115.05400	4.1
117.07016	13.4
119.08569	100.0
121.06485	8.8
121.09303	2.2
121.10133	32.3
123.04447	4.2
123.08043	8.1
123.11668	6.4
125.09627	4.8
128.06219	5.5
129.06963	6.3
129.96104	1.6
130.07761	3.0
131.08545	51.0
133.06471	3.2
133.10118	46.1
135.08044	9.0
135.11667	15.3
136.95995	1.5
137.06003	1.9
137.09569	7.8
138.16051	1.7
139.03857	6.7
141.06964	2.0
142.07741	7.2
143.08554	26.7
144.09343	5.9
145.04893	2.6
145.10103	83.9
146.99643	1.9
147.04396	2.8
147.08023	4.3
147.11658	34.5
149.09593	5.1
149.13251	15.6
151.07492	3.2
151.11148	2.5
153.05446	5.3
153.08957	2.1
155.08522	7.5
156.09276	8.8
157.10110	40.9
158.10896	5.1
159.08038	2.9
159.11676	60.5
161.05971	2.0
161.09576	9.5
161.13220	18.9
163.07538	6.4
163.11128	7.6
163.14796	13.1
165.12747	1.6
167.10654	2.9
168.09314	2.8
169.10106	9.7
170.10872	7.2
171.11671	25.7
172.12431	2.3
173.11736	3.7
173.13232	59.8
175.11160	7.0
175.14792	28.2
177.12735	7.2
177.16313	5.0
181.10074	3.0
182.10881	3.9
183.11659	16.4
184.07306	6.3
184.12450	5.3
185.09546	2.2
185.13219	31.6
187.11185	3.1
187.14796	60.1
189.12686	6.9
189.14690	2.3
189.16325	17.1
191.14304	39.2
191.17909	1.7
192.46834	1.7
193.12221	3.7
193.15839	3.7
195.11566	2.7
197.13261	10.2
199.14803	57.3
201.12717	4.6
201.16345	40.6
203.14268	23.1
203.17949	5.3
205.15875	14.6
207.07549	1.6
209.13274	2.9
211.14812	5.8
213.12825	2.8
213.16353	13.1
215.14299	6.5
215.17924	6.2
217.12154	2.1
217.15880	20.9
217.19286	1.9
219.13835	2.1
219.17369	3.9
221.13319	3.5
221.15321	30.0
223.14772	2.6
223.16824	1.8
225.16386	3.6
227.14371	2.1
227.17888	4.9
229.15768	3.2
231.17453	3.9
233.13297	2.2
233.15285	8.6
233.18953	2.6
233.27699	1.7
235.16881	7.1
239.16261	3.7
241.16029	1.9
241.19423	2.5
243.17336	1.9
245.15369	8.1
247.16910	3.2
249.18622	2.0
253.19516	4.1
255.20966	2.6
259.17087	2.3
267.21179	2.1
365.28430	2.8
391.29800	4.1
393.31693	2.7
403.29849	9.0
405.31375	3.9
419.29245	2.9
421.31006	24.8
423.32458	6.2
431.29407	3.0
437.30380	6.3
439.32172	11.1
441.33551	5.2
449.30557	13.8
467.31628	27.1
485.23169	3.1
485.32410	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	485.326
Annotation	Ganolucidic acid E
Peak:m/z	Relative Intensity
53.03945	3.8
55.01862	3.7
55.05495	16.4
57.03422	2.3
57.07066	5.2
65.03925	3.6
67.05495	21.0
69.03409	9.5
69.07060	22.4
69.07415	3.5
69.54927	18.1
71.04973	5.5
71.22346	2.3
79.05486	23.8
81.03404	6.1
81.06564	3.5
81.07046	51.1
83.04976	9.3
83.08614	8.7
85.02905	11.2
85.06553	4.2
86.09714	2.6
87.04427	2.6
91.05471	32.6
93.07034	53.5
94.53039	2.1
95.04961	14.6
95.08594	52.4
97.02884	9.1
97.06512	14.5
97.10168	5.1
98.97540	2.7
99.04446	4.4
99.08080	24.6
105.07018	70.4
107.04923	4.3
107.08582	67.4
107.09285	4.4
109.02918	3.3
109.06524	14.8
109.09554	2.6
109.10154	33.4
110.46532	1.9
111.08083	5.4
113.06038	3.3
115.05459	4.4
117.07024	17.0
119.08569	100.0
121.06492	8.1
121.10121	41.5
123.04397	5.2
123.08073	12.8
123.11645	12.0
125.09623	7.1
126.83617	2.4
127.03915	6.4
127.11192	3.7
128.06224	3.9
129.06975	10.8
130.07817	4.0
131.08546	57.8
133.06493	4.1
133.10109	69.1
135.08054	12.7
135.11670	23.4
137.05954	4.3
137.09569	11.0
137.13232	2.9
139.03889	3.8
139.11157	3.3
141.06947	2.9
142.07771	8.9
143.08537	29.4
143.10583	2.2
144.09288	3.8
145.04887	3.1
145.10115	68.6
147.08018	6.7
147.11679	53.1
148.12022	3.0
149.05942	2.2
149.09604	12.4
149.13226	17.5
151.03856	2.4
151.07587	4.1
151.11148	3.5
153.09111	2.5
153.12778	2.9
155.07173	3.3
155.08534	9.4
156.09280	10.6
157.10110	41.4
158.10840	6.0
159.07979	2.6
159.11676	54.4
161.05907	2.5
161.09657	14.9
161.13229	27.3
163.03868	3.7
163.07602	2.3
163.11157	11.5
163.14842	8.1
165.12708	3.1
167.08461	2.4
167.10684	2.8
169.04982	3.4
169.10117	13.9
170.10820	4.8
171.08038	3.1
171.11658	30.7
172.12354	2.7
173.09607	4.3
173.13260	51.3
174.13620	3.1
175.11188	10.3
175.14804	25.7
177.12727	10.1
177.16286	5.6
179.14236	3.0
181.10011	5.4
182.10861	3.0
183.11679	22.4
184.12485	4.1
185.13225	37.2
187.11206	3.5
187.14796	59.0
189.09119	3.9
189.12756	13.1
189.16338	10.8
191.14272	21.6
193.12157	2.6
193.15773	3.3
197.13251	15.6
199.11131	3.9
199.14806	36.6
201.12636	9.6
201.16376	35.6
203.10846	3.0
203.14307	21.6
203.17998	5.9
205.12245	2.6
205.15865	16.7
207.11699	3.9
207.13702	3.1
209.13263	7.4
211.14774	11.4
213.12802	3.9
213.16371	22.1
215.14279	8.3
215.17918	9.2
217.15878	26.6
219.13904	3.2
219.17392	7.0
221.13428	3.2
221.15327	13.8
223.14853	5.4
225.16328	7.1
227.14262	2.4
227.17952	7.8
229.15887	5.1
231.13754	5.0
231.17392	5.5
233.15334	4.5
233.18929	2.7
235.16919	6.0
237.16357	3.4
239.14346	3.6
239.17981	6.2
241.19543	5.4
243.17535	3.0
245.15312	6.9
247.16783	3.4
253.19472	5.8
255.17331	2.6
263.16422	4.5
265.19421	3.2
267.17398	2.7
271.20657	2.8
281.19031	3.1
291.21072	2.8
293.22382	3.1
299.20001	21.9
319.24094	3.0
349.25110	3.0
367.26300	4.6
385.52994	2.3
391.29965	7.3
403.30124	18.8
405.31589	5.3
409.31018	9.1
419.29861	3.3
421.31119	33.5
423.32996	2.7
431.29465	7.0
437.30542	25.0
439.32056	31.9
449.30505	15.0
455.31772	5.7
467.31870	25.2
478.32831	2.6
485.21301	2.6
485.33090	47.6
486.32431	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24180	2.8
55.05502	9.0
57.07083	2.2
67.05499	14.5
69.03414	5.0
69.07059	13.4
69.94330	10.9
71.04984	2.5
79.05493	12.9
81.07047	32.1
83.08607	7.5
85.06514	2.7
88.46950	2.4
91.05473	22.7
93.07043	34.8
95.04960	9.7
95.08595	41.2
95.46192	2.9
97.06506	10.3
98.20817	3.7
103.05473	3.2
103.28117	2.4
105.07019	55.3
107.04906	2.9
107.08584	49.9
109.06505	8.3
109.10132	22.2
111.08060	6.3
117.06982	11.7
119.08565	100.0
121.06489	5.5
121.10126	34.3
123.08064	6.7
123.11678	5.5
129.07004	6.4
131.08553	46.6
133.10115	43.9
135.08072	10.6
135.11702	12.0
137.09612	8.1
137.13313	3.6
141.07004	3.3
142.07753	12.8
143.08559	21.6
144.09323	6.1
145.10112	74.5
147.08058	3.8
147.11676	24.5
149.09586	5.9
149.13246	18.9
153.09061	2.6
155.08551	5.9
156.09351	9.4
157.10110	42.2
158.10892	6.6
159.11681	56.8
161.09619	10.0
161.13255	20.2
163.07504	6.7
163.11139	4.9
163.14746	12.3
169.10091	6.6
170.10886	5.8
171.11673	22.3
173.13239	59.3
175.11179	8.2
175.14828	26.6
177.12720	7.7
177.16335	5.9
181.10191	2.7
183.11699	14.7
185.13240	32.5
187.14798	59.8
189.12730	4.3
189.16318	14.9
191.14270	29.7
193.15938	2.8
195.11710	3.6
197.13248	7.9
199.14780	59.5
201.12782	7.4
201.16353	40.8
203.14302	28.9
203.17938	5.4
204.61995	2.5
205.15894	8.7
209.13277	3.4
211.14853	6.5
213.16446	14.1
215.14328	4.3
215.17998	6.4
217.15845	21.4
221.15314	42.5
225.16336	3.4
225.68025	2.5
227.14398	3.1
227.17987	5.5
229.15768	4.9
229.19525	4.6
231.17445	4.2
233.15387	9.1
235.16927	8.4
239.16232	4.3
245.15373	8.3
247.13155	3.4
247.16969	4.9
253.19504	3.4
255.20956	4.0
259.16898	3.2
265.19351	3.0
267.21082	2.5
283.06528	2.5
385.28760	4.7
391.29993	5.3
403.29843	13.9
405.31433	5.6
421.31061	27.2
423.32413	10.2
431.29782	3.3
437.30557	6.5
439.32074	5.2
449.30359	10.3
467.31543	32.6
485.32809	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	485.3257
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
53.03933	1.9
55.01863	1.7
55.05507	12.9
57.03407	1.7
57.07060	3.5
65.03918	2.5
67.05498	19.8
69.03418	5.8
69.07062	11.5
69.54648	4.3
69.55067	8.6
71.04973	3.8
71.08617	1.8
74.71082	1.4
76.14906	1.4
79.05477	22.2
81.07047	35.9
83.04969	5.1
83.08594	7.3
85.02901	2.5
85.06532	3.5
91.05467	28.5
91.06007	2.6
93.07030	40.9
93.59013	1.4
95.04956	13.0
95.08592	45.2
97.06530	5.9
97.10114	1.6
99.08096	11.5
100.08437	1.7
103.05448	2.6
105.07017	55.0
107.04942	2.3
107.08582	52.2
109.06503	8.1
109.10150	23.4
111.08060	5.3
113.06022	1.8
115.05482	2.2
117.06999	11.3
119.08565	100.0
120.08906	2.1
121.06510	4.9
121.10120	43.5
123.08043	8.9
123.11707	6.3
125.09611	4.1
125.15496	1.3
127.03876	1.7
128.06221	4.1
129.07028	11.0
130.07748	3.5
131.08545	46.2
131.09502	3.1
133.06473	2.2
133.10110	48.6
133.11061	2.8
135.08058	7.4
135.11679	14.3
137.09546	3.7
139.41826	1.4
141.06932	2.6
142.07803	7.0
143.08546	30.0
144.09291	4.7
145.10109	69.5
145.11279	3.3
147.08052	5.1
147.11661	32.1
149.09615	7.5
149.13228	9.8
151.11172	3.4
153.09056	2.4
154.07811	1.7
155.08603	7.5
156.09303	6.9
157.10118	41.3
158.10890	4.7
159.11676	42.9
161.05930	1.5
161.09601	6.3
161.13245	25.4
163.07518	3.4
163.11224	4.9
163.14761	9.2
167.08517	2.5
167.10638	2.6
168.09300	2.8
169.10089	11.5
170.10930	5.9
171.11653	26.3
172.12456	1.9
173.09610	1.9
173.13242	45.8
173.15436	1.9
174.15695	2.0
175.11208	4.3
175.14803	27.5
177.09160	2.0
177.12709	3.7
177.16389	4.7
179.14310	2.5
181.10112	4.4
182.10812	1.9
183.11641	13.7
184.12404	3.7
185.13235	38.8
186.13986	1.7
187.11208	2.9
187.14799	54.9
189.12701	11.7
189.16348	16.6
191.14273	19.2
195.11685	3.3
197.13271	11.3
198.14070	2.0
199.14799	46.6
199.16560	3.0
201.12708	3.3
201.16370	36.7
203.14290	21.9
203.17969	6.8
205.15874	9.1
207.13882	2.9
209.13263	3.7
211.14838	9.2
213.12730	1.7
213.16341	24.3
215.14342	9.5
215.17946	5.9
217.12340	3.0
217.15839	19.6
219.13779	5.1
219.17426	3.2
221.13315	3.1
221.15326	21.5
223.14799	4.6
225.16475	2.9
227.14194	2.6
227.17955	5.9
229.15912	5.7
231.13881	1.9
231.17502	5.2
233.15343	10.0
235.14847	2.2
235.17006	4.2
237.16531	2.1
239.18181	2.6
241.15878	2.9
241.19662	5.2
243.21291	1.9
245.15361	10.1
247.17012	6.0
249.14764	3.4
251.18057	2.8
253.19627	3.8
255.21159	3.1
259.16974	5.7
265.19601	1.9
267.21069	1.7
273.18649	1.5
279.21048	2.0
287.20520	1.8
321.09100	1.6
373.28784	2.7
385.28735	2.5
391.29929	4.7
393.31616	2.3
403.29971	16.6
405.31302	3.3
421.31018	26.5
423.32623	6.6
431.29828	3.5
437.30447	79.5
438.30875	2.4
439.31985	13.7
441.33350	2.0
449.30478	14.6
457.02963	1.7
467.31537	24.4
478.33621	2.7
485.32602	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05495	11.1
57.07058	4.3
66.55823	3.0
67.05495	12.7
69.03419	4.1
69.07047	11.9
69.42595	12.2
69.43025	13.1
79.05487	14.2
81.07047	26.6
83.04975	3.1
83.08591	6.6
91.05464	20.1
93.07039	30.1
95.04949	7.7
95.08027	5.0
95.08593	46.2
97.06512	12.2
98.21526	5.3
99.08091	6.1
100.44073	2.4
105.06368	5.4
105.07020	64.0
107.08586	55.1
109.06492	9.8
109.10133	19.3
111.08117	4.4
117.07014	13.5
119.08566	100.0
121.06506	10.2
121.10128	32.8
123.08041	8.6
123.11660	4.8
127.07507	3.9
128.06180	4.2
129.06987	8.0
131.08560	45.3
133.10114	53.3
135.08057	8.4
135.11665	13.5
137.09622	6.3
142.07790	7.8
143.08577	22.2
144.09346	3.2
145.10098	78.4
147.08080	5.9
147.11661	26.0
149.09584	5.3
149.13219	15.2
155.08398	2.9
156.09277	7.9
157.10112	43.5
158.10867	4.6
159.11674	61.1
161.09598	11.1
161.13248	16.9
163.07532	6.8
163.11131	9.4
163.14804	11.6
167.08417	2.6
169.10126	6.3
170.10875	7.5
171.11668	26.6
173.13240	65.2
175.11171	8.8
175.14809	35.7
177.12749	7.2
177.16399	7.5
181.10085	3.5
183.11659	16.8
185.13211	35.0
187.14789	56.6
189.12704	7.4
189.16393	16.8
191.14272	39.2
193.15758	3.6
195.11722	4.3
197.13245	14.3
199.14790	69.2
201.12711	4.0
201.16382	38.7
203.14288	30.1
203.17940	7.5
205.15846	10.2
209.13162	4.4
211.14842	6.8
213.16364	16.9
215.14285	8.1
215.17902	4.7
217.15848	30.1
219.17416	3.0
221.15347	49.9
227.14290	3.3
227.17944	4.9
229.15884	5.5
231.17427	5.3
233.15372	11.8
235.16878	8.9
239.16402	8.2
245.15399	14.3
247.16933	3.3
249.16399	3.0
253.19531	5.9
299.19904	3.2
391.29880	5.0
392.43854	2.9
403.29892	14.1
409.31253	3.5
419.29337	3.6
421.31000	32.1
423.32422	11.0
431.29175	4.0
437.30573	9.4
439.31799	15.7
441.33368	4.5
449.30374	14.0
467.31424	42.1
485.32544	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	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67604	1.6
55.05492	8.7
56.89913	2.1
57.51882	1.6
59.04952	2.7
67.05497	12.1
67.28407	2.0
69.03398	4.0
69.07050	10.0
69.74725	5.3
69.75148	8.6
70.06572	2.2
71.04983	3.1
78.76846	1.8
79.05483	10.4
81.03446	1.8
81.07052	25.3
83.04923	2.6
83.07596	1.8
83.08587	6.1
85.02877	2.5
85.06518	3.4
86.09689	3.2
91.05463	18.8
93.07027	29.0
95.04943	8.7
95.08589	38.6
97.06503	7.6
104.92182	1.7
105.07012	47.1
107.08576	45.6
109.06487	8.8
109.10152	19.7
111.08071	5.2
117.06999	7.9
119.08566	100.0
121.06505	5.9
121.10120	34.7
122.24805	1.9
123.04395	3.4
123.08067	9.0
123.11664	5.8
125.09563	4.3
128.06200	3.7
129.07005	4.6
131.08549	41.0
133.10117	41.5
135.08029	8.1
135.11638	10.5
137.09592	5.2
139.03848	3.1
142.07690	9.0
143.08537	19.9
144.09320	5.4
145.10097	60.4
147.08000	5.4
147.11668	26.5
149.09628	5.4
149.13245	19.8
151.07388	2.5
151.11176	2.1
153.05405	3.5
155.08459	5.7
156.09322	7.7
157.10107	38.5
158.10895	2.3
159.11665	47.7
161.09564	8.6
161.13235	16.9
163.07489	5.0
163.11145	7.0
163.14796	13.6
167.10635	2.7
168.09373	2.2
169.10098	5.8
170.10866	7.1
171.11639	22.7
172.12370	2.0
173.13246	52.9
175.11143	5.4
175.14784	25.9
177.12720	6.7
177.16301	3.7
179.14278	2.3
183.11670	11.5
184.12267	2.9
185.13242	26.1
187.14798	57.7
189.12697	8.4
189.16382	14.5
191.14270	28.1
193.12199	2.9
197.13333	9.3
199.12933	3.2
199.14784	61.1
201.16348	31.4
203.14270	20.8
203.17915	6.2
205.15866	6.5
211.14734	5.9
213.16328	14.7
215.14227	7.3
215.17921	3.8
217.15819	9.9
219.17419	2.9
221.15329	39.7
225.16350	4.9
227.17859	4.6
229.15916	4.2
231.13860	2.0
231.17316	2.2
233.15311	9.7
235.16844	9.4
239.16409	5.7
245.15355	10.4
247.17017	4.5
258.16089	2.1
259.16895	2.9
309.25491	1.8
365.28458	3.4
387.30438	2.5
391.29999	2.0
393.31589	3.9
403.29999	10.0
405.31927	2.4
407.16516	1.9
414.80496	1.8
419.29089	2.4
421.30984	21.1
423.32446	8.1
425.12708	2.3
437.30637	4.5
439.31879	4.6
441.33643	4.5
449.30765	8.9
467.31601	26.4
485.32184	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	485.3256
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05506	12.8
57.07058	5.0
62.92624	2.2
65.24471	2.2
66.41468	2.0
67.05502	19.6
69.03409	9.4
69.07057	14.6
70.06575	7.1
71.04963	3.2
71.15572	6.2
73.24163	2.4
79.05480	19.8
81.07044	47.9
83.04987	3.5
83.08591	9.8
85.02885	3.4
85.06547	3.8
86.09689	12.5
91.05465	27.0
93.07031	43.3
95.04959	12.9
95.08593	63.6
97.02856	2.6
97.06517	14.8
99.04440	2.8
99.08070	16.2
105.07011	84.0
107.04933	3.1
107.08578	74.4
109.02818	2.4
109.06510	7.2
109.10143	33.3
111.04409	2.8
111.08005	5.8
117.07022	14.7
119.08562	100.0
121.06473	9.8
121.10123	42.3
122.10374	2.5
123.04420	7.0
123.08036	8.6
123.11708	12.0
125.09602	10.6
128.06227	4.3
129.06987	12.7
130.07776	5.7
131.08557	65.4
133.10112	62.8
134.99608	2.7
135.08020	8.6
135.11658	26.5
137.05862	2.3
137.09618	11.8
139.03874	8.1
142.07750	8.7
143.08530	28.2
144.09282	7.1
145.10115	85.2
145.11264	4.0
147.08031	4.8
147.11676	38.0
149.09581	9.0
149.13249	12.4
151.11171	3.9
153.05466	10.6
155.08514	6.4
156.09326	6.0
157.10097	39.1
158.10854	5.7
159.11673	68.9
161.09572	8.9
161.13240	42.2
163.11171	10.9
163.14806	15.4
165.12653	4.1
169.10078	9.7
170.10895	7.2
171.11697	30.7
173.09569	3.5
173.13240	64.2
175.11188	7.3
175.14795	40.7
177.00645	2.6
177.12698	5.5
177.16364	10.9
179.14351	4.6
181.09938	3.2
183.11691	18.9
184.12440	3.9
185.13235	49.0
187.14796	59.2
189.12752	10.1
189.16347	22.7
191.10640	2.7
191.14279	39.4
191.17880	4.3
193.12271	7.9
193.15845	5.1
195.11627	5.3
197.13229	12.0
199.14799	56.3
201.12688	7.3
201.16370	51.3
203.14250	32.0
203.17902	6.5
205.15875	22.0
209.15359	2.5
211.14778	9.8
213.16359	15.6
215.14236	8.3
215.17914	10.5
217.15865	35.1
219.13901	2.4
219.17392	13.2
221.13362	3.6
221.15350	40.2
223.14952	2.9
223.16937	4.5
225.16235	5.6
227.14340	5.8
227.17915	6.4
229.15739	9.7
231.13718	4.5
231.17426	7.5
233.15340	9.7
235.16881	8.3
237.02695	2.9
241.19435	4.7
245.15329	15.5
247.16954	3.7
249.18576	2.9
251.18124	3.0
259.20432	3.7
263.16336	5.9
265.19443	3.3
268.10767	4.5
273.18246	2.7
299.20074	3.1
372.27777	2.8
385.28668	4.0
391.29922	6.8
403.29996	21.9
405.31522	3.6
409.30850	9.2
421.31009	39.2
423.32584	6.3
431.29456	7.1
437.30704	13.3
439.32077	44.0
449.30493	31.9
455.31830	2.9
467.31647	47.9
485.18503	5.5
485.32758	67.7
506.34897	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.05506	13.9
56.96546	3.1
57.03409	3.6
57.07071	4.1
59.04974	1.8
64.27750	1.7
65.03933	2.7
66.46084	1.6
67.05494	15.8
69.03419	7.6
69.07053	16.3
70.06590	14.5
71.03306	2.1
71.03634	3.2
71.04972	4.8
73.02898	1.9
74.17564	1.7
75.04478	2.0
77.77961	1.6
79.05489	20.5
81.03402	2.7
81.07051	43.6
83.04960	4.2
83.08603	6.0
85.02892	11.2
86.09697	14.8
91.05465	21.4
93.07030	44.5
95.04955	12.9
95.08602	49.7
97.02863	5.0
97.06519	12.5
98.97562	8.0
99.04432	3.0
99.08074	4.4
99.65948	1.6
100.31342	1.9
103.05351	1.6
105.07016	75.7
107.04905	2.1
107.08588	57.2
109.02869	2.1
109.06504	12.9
109.10146	26.0
111.08073	10.1
115.05435	1.9
116.98614	6.6
117.06985	12.1
119.08571	100.0
121.06500	10.0
121.10136	42.1
122.10387	2.0
123.04463	2.4
123.08085	9.0
123.11712	9.6
125.09616	5.8
127.03876	5.1
128.06172	4.7
129.06993	8.7
130.07712	5.1
131.08553	53.8
133.06454	4.5
133.10115	55.6
134.99619	4.0
135.04555	2.1
135.08032	8.5
135.11691	15.0
137.05954	2.7
137.09590	7.2
139.03885	5.7
139.11089	1.9
141.06953	3.8
142.07774	8.8
143.08557	28.8
144.09302	5.4
145.06497	2.5
145.10110	85.9
145.11272	4.3
147.04375	4.6
147.07983	5.5
147.11674	38.1
149.09570	9.7
149.13240	13.2
151.07509	3.0
155.08539	5.4
155.14139	1.8
156.09348	10.5
157.10120	49.1
158.10922	7.2
159.08052	2.6
159.11687	68.9
161.05992	3.5
161.09628	10.0
161.13249	31.0
163.03894	2.7
163.07533	5.0
163.11105	9.1
163.14789	15.4
165.05528	3.0
165.12721	3.2
167.07010	2.1
167.10683	2.1
169.10086	11.6
170.10922	8.5
171.11656	32.2
172.12422	3.2
173.09604	4.4
173.11737	3.5
173.13251	61.7
175.11159	10.6
175.14815	34.0
177.00716	5.1
177.09102	2.3
177.12717	7.5
177.16377	7.4
181.10115	4.7
182.10892	2.6
183.11647	17.3
184.12418	3.3
185.13242	44.2
187.11212	2.7
187.14807	60.3
189.12743	9.7
189.16383	19.6
191.14259	41.4
191.17969	2.7
193.12267	3.5
193.15863	4.4
195.11703	4.2
197.13219	12.7
199.14799	62.0
199.17793	3.3
201.12706	5.9
201.16391	36.0
203.14328	27.3
203.18019	5.3
205.12257	3.2
205.15866	19.6
209.13206	4.3
209.15283	2.3
211.14825	7.9
212.10216	1.7
213.12836	2.2
213.16362	18.6
215.14322	7.6
215.17967	8.0
217.12265	3.4
217.15860	26.2
219.01933	2.1
219.13872	3.4
219.17426	8.9
221.13342	2.3
221.15331	38.0
223.14824	4.8
225.16344	5.0
227.14265	3.1
227.17896	6.6
229.15741	12.0
231.13713	4.1
231.17415	4.7
233.15376	10.0
235.16899	7.5
237.16428	2.6
237.18622	2.0
239.16396	5.1
241.19530	5.3
245.15331	14.6
247.16800	2.2
253.19380	4.8
259.17221	2.8
261.18542	2.2
263.16455	2.2
267.21198	2.9
279.20984	2.2
295.20544	2.0
303.04764	2.3
333.07788	2.5
375.30807	2.1
385.28732	2.2
391.29941	7.6
393.31604	3.3
403.29901	11.8
405.31458	3.9
407.25220	2.0
409.30826	7.0
419.29208	2.3
421.31039	36.9
423.32501	6.9
431.29465	6.6
437.30612	10.8
439.32190	23.3
441.33542	2.6
443.61517	1.9
449.30630	16.5
467.31723	29.3
485.09860	2.6
485.20007	24.2
485.32883	32.5
486.19778	3.1
500.15707	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01862	8.3
55.05505	37.6
56.96540	3.4
57.03434	7.3
61.02930	12.4
63.45224	2.9
65.03919	3.3
67.05488	11.2
69.03426	28.0
69.07054	10.1
69.50122	5.0
69.50532	21.3
70.06588	12.4
71.04980	12.7
73.02898	4.7
79.05487	9.2
81.03408	15.0
81.07056	31.1
82.06559	6.3
83.04959	6.4
83.08611	22.7
84.08137	15.7
85.02415	4.2
85.02899	64.0
85.06537	8.2
86.03231	6.7
86.06049	3.6
86.09695	11.6
87.03345	2.4
87.04453	5.6
91.03931	5.1
91.05462	10.0
93.07044	21.0
95.04984	3.6
95.08601	26.5
96.08125	22.5
97.02882	26.2
97.06531	21.3
98.06053	3.1
98.09672	20.4
98.97588	3.7
99.04455	11.8
100.03951	3.9
100.07600	12.4
100.11251	100.0
101.11532	4.0
105.07017	30.2
107.08595	27.2
109.02874	8.7
109.06505	4.7
109.10157	12.1
110.06039	8.9
111.04435	13.3
112.07608	3.5
112.11243	3.1
114.09157	12.8
117.06993	3.6
117.13861	4.7
119.08573	38.7
121.06483	2.9
121.10117	19.7
121.73497	2.7
123.08090	5.3
125.02361	6.9
125.09632	5.9
126.09150	5.6
127.03894	11.0
128.07074	11.7
128.10695	6.6
129.05449	2.4
129.06975	4.3
131.08575	18.0
133.10124	25.1
135.08070	3.8
135.11700	8.8
137.02304	4.3
137.05984	4.4
139.03886	3.0
139.08670	3.2
140.07051	5.8
140.10713	4.3
142.08626	2.9
142.12294	3.5
143.08525	12.1
143.11749	4.6
145.04951	6.6
145.10103	32.1
147.08031	2.7
147.11667	14.1
149.09595	4.0
149.13257	4.1
153.01797	3.5
154.12206	5.9
155.08485	3.1
157.10118	16.4
159.11690	27.7
161.09602	5.8
161.13280	13.4
163.11131	4.5
163.14870	8.1
168.13821	7.7
169.10144	4.5
170.10893	3.3
171.11687	12.2
171.14964	3.3
173.13252	31.1
175.11151	3.6
175.14803	13.9
177.12711	3.7
177.16367	3.2
180.13846	10.0
182.11743	3.8
182.15378	29.6
183.11659	7.4
185.13248	23.2
187.14803	22.2
189.16344	6.3
191.14252	18.6
193.12263	3.0
196.13350	4.9
197.13205	5.9
197.16400	5.6
199.14821	26.4
201.16338	17.3
203.14346	13.6
203.17932	3.0
205.13429	3.8
205.15855	6.7
206.11816	2.7
209.13351	2.9
209.16536	13.9
210.14859	37.9
211.14986	5.5
213.16296	7.3
217.15874	13.0
219.17366	6.2
221.15356	16.0
223.14499	5.8
224.12854	4.7
225.16104	5.5
227.17575	11.8
228.15863	5.6
229.05161	3.3
229.15918	2.9
233.18951	2.7
235.16925	3.0
236.12450	8.6
237.02740	3.6
237.14517	2.7
245.15489	4.6
246.14839	5.9
247.17081	2.8
253.15648	6.0
253.63675	8.9
254.13420	19.2
303.04947	51.1
304.05313	23.5
305.05600	5.9
307.19955	5.4
336.22809	3.2
337.21271	7.4
340.99716	3.7
342.00293	3.5
354.23718	8.3
359.00610	7.4
360.01068	3.7
377.01776	72.9
378.02063	39.4
379.02011	14.7
381.29276	2.7
395.02759	35.5
396.03250	20.2
397.03360	3.9
400.03323	7.9
403.05038	4.1
403.29953	6.9
403.55222	14.2
404.05237	8.7
409.31116	4.5
421.31030	14.1
423.32941	5.2
431.30081	11.2
437.30515	6.2
439.32068	10.8
449.31012	34.1
451.32883	5.2
453.34015	4.0
454.34622	10.2
467.32065	23.5
468.32498	7.0
485.33191	74.3
503.04916	7.7
504.05164	5.5
504.97775	2.9
505.05185	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	8.5
55.01852	3.0
55.05507	24.8
57.03416	5.9
57.07044	3.2
65.03905	4.8
67.05497	74.8
69.02847	2.2
69.07069	15.8
71.04971	3.7
71.08607	2.7
71.63115	3.0
73.06511	3.5
79.05481	100.0
80.52518	2.4
81.03412	11.2
81.07046	64.5
83.04968	17.6
83.08556	8.2
85.06481	4.0
89.97044	2.1
91.05466	74.7
93.07031	77.3
95.04353	3.2
95.04946	39.1
95.08054	3.2
95.08592	41.4
97.02895	2.4
97.06465	6.4
97.10130	7.1
99.08018	2.0
105.07018	59.7
107.04887	7.1
107.07987	2.0
107.08591	27.7
109.06532	10.8
109.10100	6.3
117.06992	15.5
119.08562	35.2
121.06458	6.6
121.10159	10.7
123.07996	9.2
123.32302	2.2
127.07493	4.0
128.06134	5.4
129.06987	22.5
131.08479	7.2
133.10095	19.1
135.11684	5.3
143.08516	12.5
145.10098	22.0
147.11664	43.7
147.60115	2.2
159.11580	3.9
161.09550	5.3
161.12178	2.1
161.13243	24.2
171.10301	2.7
171.11667	41.1
173.13133	4.3
179.14156	3.4
187.14671	2.9
189.12717	14.9
199.14821	2.5
201.16350	3.4
207.11880	2.7
207.13763	41.2
225.14778	15.6
276.99081	2.4
281.17352	3.8
313.27206	3.0
315.27933	5.4
391.23450	2.2
401.17059	2.4
487.21530	4.3
487.30087	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.6
55.01857	2.3
55.05507	11.2
57.03409	2.6
57.07053	3.7
59.04989	3.4
66.80311	1.9
67.05495	12.7
69.03416	3.3
69.07051	22.5
70.89176	3.0
70.89538	4.1
72.88776	1.5
79.05479	14.7
81.03394	2.2
81.07051	30.1
81.83725	1.7
83.04958	5.6
83.08592	7.1
85.06530	2.4
91.05468	24.8
93.07034	35.9
95.04943	6.6
95.08590	45.1
97.06503	7.3
97.10144	3.7
105.07014	45.1
107.08580	54.4
109.06490	3.4
109.10139	30.0
111.08057	5.0
115.05437	2.7
116.06217	2.2
117.07026	11.0
119.08564	73.2
121.06475	7.0
121.09294	2.5
121.10127	33.7
123.08063	8.2
123.11671	12.8
125.09529	2.5
128.06192	4.9
129.06973	6.8
130.07755	2.8
131.08554	31.2
133.06468	4.6
133.09091	2.8
133.10109	57.0
135.08022	13.3
135.11662	33.9
137.09567	5.8
137.13219	3.9
139.11172	1.9
141.06941	2.9
142.07721	5.2
143.08531	15.1
145.06454	7.4
145.10101	54.7
146.07213	2.7
146.10373	2.1
147.08040	24.8
147.11668	36.5
149.09605	13.0
149.13217	13.6
151.07539	5.0
151.11163	4.4
153.06908	2.3
155.08556	7.9
156.09311	5.5
157.10100	15.6
158.07222	2.0
158.10869	2.8
159.08054	25.9
159.11673	30.5
161.09599	44.4
161.13225	22.4
162.09975	2.1
163.07504	4.8
163.11192	6.0
163.14780	6.7
165.07050	1.8
165.09082	10.4
165.12767	2.5
167.08495	5.4
168.09270	2.5
169.10139	9.5
170.10944	3.0
171.08081	2.3
171.11650	12.4
172.08797	4.3
173.09604	16.2
173.13220	17.9
174.13678	2.0
175.07507	7.8
175.11154	9.7
175.14806	11.9
177.09123	9.0
177.12762	2.5
177.16284	3.5
179.10664	1.6
179.14355	2.5
180.09251	1.9
181.10069	3.0
182.10886	6.5
183.08040	2.5
183.11647	9.0
184.08827	2.0
185.09564	6.5
185.13271	12.5
187.07501	8.6
187.11176	8.8
187.14784	27.8
189.09106	2.6
189.12741	7.8
189.16368	30.1
191.10655	3.9
191.14267	3.7
191.17924	25.4
192.09372	1.8
193.10184	2.1
193.12299	1.8
195.08055	2.1
195.11700	7.8
197.09523	1.9
197.13223	19.2
198.10341	2.4
199.11096	6.7
199.14873	8.9
200.11955	2.9
201.09065	5.2
201.12669	12.7
201.14328	1.8
201.16385	13.8
203.14301	11.8
203.17920	35.8
205.12202	4.6
205.15904	5.2
207.11697	4.9
207.17375	12.3
209.13222	4.4
210.10472	2.3
211.11235	1.5
211.14844	2.8
213.12746	13.5
213.16403	3.6
215.14319	31.5
215.17859	4.9
217.12212	9.1
217.15749	3.0
217.19490	4.7
219.13715	11.5
219.17282	2.0
221.13342	2.7
221.18942	5.7
223.14862	3.4
225.12715	7.3
225.16309	6.3
227.14232	3.1
227.17834	4.8
229.12149	2.3
229.19522	3.0
231.11684	1.5
231.13754	31.8
231.17278	2.2
233.15326	14.0
237.16261	2.6
239.17935	3.8
243.13783	40.1
245.15454	4.4
247.69650	1.7
249.14767	8.5
251.17836	5.6
253.15790	2.3
253.19353	3.2
255.17346	2.1
261.14789	39.4
265.14221	2.2
269.19012	2.0
275.96637	1.7
277.19443	1.9
279.15875	100.0
280.16129	3.5
283.20309	2.2
285.18390	2.2
285.22238	2.0
289.56839	1.6
297.18649	3.2
335.23602	2.1
387.30469	4.0
405.31482	8.4
415.29807	2.1
421.30743	5.1
423.32657	11.1
433.30984	16.0
439.32068	8.2
451.32074	30.1
469.33228	26.7
487.34586	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	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03926	2.4
55.05502	17.3
57.07062	4.6
63.32513	1.8
67.05500	24.5
69.03418	9.7
69.07061	23.5
69.52023	17.8
70.06595	2.8
71.04976	4.8
78.98370	1.9
79.05480	17.4
81.07043	56.8
83.04950	4.5
83.08630	13.5
85.02895	5.3
85.06509	4.0
85.58955	1.8
91.05477	28.8
93.07032	48.8
93.53854	2.0
95.04980	10.0
95.08597	68.7
96.80796	1.9
97.02837	2.5
97.06528	12.3
97.10147	4.3
98.20689	3.7
99.08038	3.6
105.07014	70.6
106.07346	3.9
107.08579	69.3
109.06531	11.9
109.10145	38.9
111.08053	6.5
117.06994	9.4
119.08566	96.1
121.06483	8.0
121.10119	54.2
122.10536	2.5
123.08056	7.0
123.11670	16.1
125.05945	2.5
125.09606	10.1
127.03905	2.5
128.06206	2.5
129.06967	5.3
130.07788	2.8
131.08551	54.9
133.10114	70.8
135.08049	9.3
135.11668	29.6
137.05971	3.3
137.09595	6.2
137.13248	4.6
139.11157	2.4
143.08562	17.2
144.09323	4.3
145.10104	73.1
146.10400	3.3
147.08014	5.7
147.10678	1.5
147.11665	41.8
149.09615	8.5
149.13248	18.8
151.11168	4.5
153.09077	3.1
155.08519	4.7
156.86896	2.0
157.10109	28.4
158.10861	4.8
159.07983	3.0
159.11678	55.6
160.12067	2.4
161.09528	10.3
161.13229	33.8
163.07515	3.8
163.11150	8.4
163.14813	22.4
164.86452	2.2
165.12746	2.6
167.10629	2.7
169.10132	8.6
170.10831	6.1
171.11678	21.7
173.09619	3.5
173.13242	67.2
174.13573	3.2
175.11192	7.8
175.14799	41.5
177.09045	3.2
177.12697	8.3
177.16354	16.0
179.14290	3.1
181.10036	2.4
183.11633	12.5
185.13246	37.9
187.11191	2.9
187.14804	71.9
188.15143	2.8
189.12709	9.4
189.16347	25.7
191.10712	3.0
191.14287	75.3
191.17957	6.9
193.12221	4.0
193.15977	2.6
195.11688	3.8
197.13254	8.2
199.14815	27.7
201.12775	4.3
201.16356	100.0
203.14310	32.0
203.17931	38.2
205.15894	18.8
207.17435	4.8
209.13292	2.8
211.14801	7.5
213.12811	3.5
213.16382	24.2
215.14229	4.3
215.17929	9.2
217.15828	11.1
217.19392	3.6
219.17426	11.6
221.13367	2.4
221.15346	43.0
223.14790	2.6
223.16876	3.6
225.16351	6.0
227.17970	6.4
229.15874	5.7
229.19432	4.6
231.13799	4.4
231.17482	6.2
233.15329	4.8
235.16933	6.4
239.18066	3.4
241.15767	2.2
241.19484	4.4
243.17447	4.3
245.15341	9.1
247.16920	24.6
249.14839	9.4
249.18463	3.3
251.18085	2.8
253.19319	2.4
259.16956	4.1
263.16394	2.4
267.21017	3.4
281.22394	2.5
294.73871	2.3
307.26196	2.9
319.39069	2.4
387.30460	6.7
393.31546	4.0
405.31415	33.0
407.32980	8.4
423.32565	45.9
425.33963	7.5
433.30881	11.4
439.32004	4.7
441.33844	11.6
451.27432	2.2
451.32098	27.4
466.86368	2.4
469.33292	17.8
487.23630	4.2
487.34460	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.46119	4.8
53.03947	3.9
55.05505	13.7
59.17653	4.1
59.43370	4.8
65.49229	4.3
67.05493	17.2
69.03412	5.7
69.07045	13.7
70.87244	12.3
79.05472	17.1
81.07048	39.7
83.04952	7.7
83.08605	9.4
85.02917	4.1
86.66729	4.1
91.05491	23.4
92.00934	4.1
93.07021	44.3
95.04976	11.9
95.08591	56.0
97.06502	13.0
101.02201	5.1
105.07033	51.8
107.08582	83.4
109.06515	12.3
109.10145	28.3
111.08066	8.7
117.07026	5.4
119.08558	100.0
121.06480	10.0
121.10138	40.2
123.11717	10.3
125.09613	17.8
125.98479	4.1
128.06094	4.8
129.07037	6.6
131.08546	45.8
133.10110	75.8
135.08064	7.0
135.11673	19.6
142.07825	7.0
143.08557	18.4
145.10103	57.5
147.08075	8.0
147.11667	43.2
149.09608	7.6
149.13223	16.9
157.10130	28.1
159.11671	55.6
161.09630	11.1
161.13252	28.2
163.07507	6.4
163.11134	11.7
163.14766	11.6
169.10176	7.5
171.11649	24.5
173.13255	40.7
175.14810	40.8
177.09216	4.9
177.16423	13.4
185.13278	22.0
187.14801	44.9
189.12761	8.2
189.16371	34.2
191.14267	51.3
191.17903	9.8
199.14767	26.0
201.16389	52.6
203.14345	28.2
203.17891	21.4
205.15858	14.1
213.16313	15.3
215.14198	7.0
215.17912	9.5
217.15839	17.0
219.17467	5.7
221.15320	26.7
229.15854	5.3
235.16910	19.4
239.16139	22.4
241.19531	4.8
247.16945	26.8
255.20976	5.0
269.22726	4.2
311.80624	4.8
380.74182	5.0
387.30466	6.1
393.31348	7.3
405.31537	22.2
423.32465	30.2
433.30869	12.5
441.33862	31.5
449.72250	5.7
451.31790	18.8
469.33148	15.5
475.42331	4.4
487.33905	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	487.3413
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05436	2.7
58.28517	0.5
67.05409	5.3
68.73288	0.5
69.03342	0.7
69.06986	2.5
70.03648	1.0
70.04058	1.7
71.04865	0.6
79.05398	4.1
81.06957	9.4
83.04900	0.7
83.08516	2.0
83.08965	0.6
85.06476	0.6
91.05465	4.6
93.07027	10.6
95.04869	1.6
95.08597	15.4
95.09139	1.1
95.45853	0.5
97.06502	2.5
97.06963	0.5
97.10063	0.7
98.20735	0.7
105.07014	12.4
107.08579	15.2
109.06448	1.2
109.10142	9.5
109.10830	0.6
111.07973	1.8
113.05879	0.6
117.07011	2.5
119.08562	19.5
119.09341	0.6
121.10126	11.5
123.08067	2.6
123.11590	2.1
129.06873	1.9
131.08537	8.9
133.10112	14.2
135.07942	1.6
135.11688	5.4
137.09549	0.8
141.08972	0.6
142.07762	1.0
143.08534	5.0
145.10095	12.9
147.07945	1.3
147.11670	8.7
149.09514	1.6
149.13206	3.1
151.11087	1.1
153.08989	0.8
154.38370	0.5
155.08479	0.9
156.09241	0.8
157.10109	6.2
159.11674	9.0
161.09563	1.2
161.13269	6.5
163.11116	1.1
163.14777	3.7
169.10031	1.5
171.11639	3.5
173.13232	6.0
175.11055	1.1
175.14771	6.2
177.08977	0.8
177.12675	1.3
177.16351	2.9
179.14180	0.7
185.13235	3.5
187.14803	13.6
189.12601	1.0
189.16342	10.7
191.14149	1.5
191.17813	1.8
195.11517	0.7
197.13173	1.8
199.14772	6.2
201.16374	10.3
202.16544	0.6
203.14383	2.6
203.17889	3.2
205.15843	3.0
211.14667	1.6
213.16342	3.3
215.14206	1.8
215.17952	5.1
217.15833	5.3
221.15285	0.8
227.17851	0.6
229.15842	1.3
229.19415	1.5
231.17233	1.9
233.15318	0.9
235.16818	3.2
239.17989	0.5
241.19432	1.1
243.17305	0.7
243.20973	0.8
247.16879	2.4
249.18497	0.8
253.19579	0.7
255.20923	0.7
261.18362	1.6
265.19360	0.7
267.21002	0.9
283.20386	0.5
309.21985	0.6
375.29980	0.6
393.31302	2.0
395.29404	0.6
405.31418	4.9
421.30896	0.8
422.74597	0.5
423.32602	4.5
433.30908	2.5
439.32025	100.0
440.32312	5.8
441.33557	1.8
451.32162	5.1
457.33264	1.0
469.33270	4.2
480.34695	4.6
487.34149	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	487.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	10.5
57.24971	3.2
64.29684	3.3
66.33575	3.0
67.05495	17.7
69.03430	4.1
69.07043	13.2
70.02284	12.7
79.05470	11.3
81.07046	31.5
83.08603	9.3
88.58606	2.9
91.05477	21.8
93.07029	40.0
95.04942	8.4
95.08592	52.4
97.06506	7.6
98.21043	7.0
105.06361	5.8
105.07018	65.0
107.08579	62.2
109.06504	11.5
109.10135	30.3
111.08041	7.8
117.07015	10.0
119.08563	100.0
121.06457	9.3
121.10128	37.3
123.08028	8.4
123.11709	9.9
129.06989	6.4
131.08543	42.3
132.55629	3.0
133.10101	67.2
135.08020	8.5
135.11630	18.8
137.09642	6.7
142.07771	5.8
143.08536	17.9
144.09319	6.7
145.10092	59.9
147.08051	9.8
147.11646	41.4
149.09610	5.2
149.13245	21.3
151.07567	3.7
157.10127	25.3
159.07930	4.0
159.11667	55.4
161.09578	10.1
161.13226	27.6
163.07530	4.6
163.11163	12.2
163.13585	3.4
163.14854	13.4
169.10001	5.5
170.10854	9.7
171.11699	18.0
173.09625	4.0
173.13263	38.3
175.11147	10.6
175.14812	32.3
177.09111	12.1
177.12729	10.4
177.16302	7.3
183.11636	3.5
185.13234	19.7
187.13176	4.5
187.14806	43.4
189.12692	10.0
189.16339	47.2
191.14279	61.0
191.17874	6.5
193.12173	5.4
197.13120	3.9
199.14778	19.8
201.12782	7.1
201.16359	48.3
203.14311	43.7
203.17964	23.1
204.14618	3.3
205.15819	12.1
205.19528	7.8
211.13158	5.4
211.14890	5.2
213.16339	8.5
215.17970	8.9
217.15834	20.3
221.15323	26.5
227.17960	5.4
229.15892	11.4
229.19429	6.7
231.13737	4.4
231.17427	7.1
235.16908	38.9
239.16365	48.0
243.21112	4.4
247.16893	41.3
249.18510	8.1
255.21092	4.6
327.23013	4.9
387.30429	8.8
393.31497	8.0
405.31577	19.1
421.30673	5.4
423.32452	31.4
433.31064	7.0
439.31964	12.6
441.33447	14.8
451.32065	9.0
469.33139	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
55.05496	1.9
57.03419	0.2
57.07060	0.6
59.04982	0.4
67.05501	2.3
69.03415	0.5
69.07063	2.2
69.81507	1.3
71.04971	0.6
73.42465	0.2
79.05489	1.8
81.06570	0.4
81.07047	4.9
83.04976	2.9
83.08603	1.4
85.02840	0.2
87.04485	0.4
91.05460	2.1
93.07034	4.4
95.04951	1.0
95.08594	7.5
97.06495	0.7
97.10173	0.4
103.05465	0.2
105.07018	6.8
107.08576	7.6
109.06501	1.2
109.10145	5.6
109.10812	0.2
111.04439	0.3
111.08070	1.0
113.26400	0.3
117.07000	1.2
119.08569	10.0
121.06483	0.8
121.10127	7.3
123.08056	1.4
123.11711	2.0
125.09616	0.5
127.20844	0.2
129.06990	0.4
131.08562	2.9
133.06502	0.3
133.09097	0.4
133.10107	8.7
135.08069	1.5
135.11676	4.1
137.09605	1.1
137.13225	0.4
139.07565	0.4
141.06966	0.5
143.08546	2.2
145.06516	0.4
145.10120	5.2
147.08046	0.8
147.11682	3.7
149.09615	2.0
149.13219	1.9
151.11130	0.7
153.09093	1.1
155.08537	1.2
156.09334	0.5
157.10109	3.0
159.08047	0.5
159.11676	3.5
161.09624	2.4
161.13242	2.4
163.07544	0.4
163.11157	1.0
163.14775	1.7
169.10117	1.1
170.10797	0.3
171.11653	2.3
173.09564	0.9
173.13231	4.8
175.11195	1.2
175.14807	5.9
177.12761	0.6
177.16415	1.2
179.10542	0.3
179.14293	0.2
182.11006	0.3
183.11691	1.7
185.13251	1.4
187.11211	1.0
187.14799	5.2
189.12752	0.9
189.16348	6.3
191.14333	1.0
191.17958	1.5
193.08363	0.3
193.15814	0.4
195.11621	0.3
197.13205	1.3
199.14832	2.8
201.12697	0.8
201.16385	1.3
203.14264	1.2
205.15880	1.7
207.17442	0.5
209.13127	0.4
211.14772	1.3
211.33626	0.3
213.16357	1.1
215.14314	2.9
215.17802	0.7
217.15852	2.6
219.13835	0.3
223.14699	0.8
223.16776	0.5
225.16527	0.5
227.17918	1.6
229.15881	0.8
229.19557	0.6
231.17407	0.6
233.15347	1.9
235.16818	1.6
239.17920	0.6
241.19479	0.7
243.17503	0.4
245.15536	0.3
245.19052	0.5
249.14764	0.6
251.16298	3.2
253.19395	1.3
255.21179	0.4
257.19086	0.4
259.20651	0.3
265.19574	0.4
267.21191	0.5
271.20575	1.8
273.18408	0.5
283.20538	0.4
285.22311	0.4
291.21118	0.4
299.19989	0.5
303.19556	0.4
309.22195	0.3
313.21649	0.3
316.94678	0.2
317.21158	0.7
374.10330	0.3
387.30417	0.5
397.27203	0.3
405.31561	2.4
423.32712	2.4
433.31027	0.7
439.31937	0.7
441.33542	4.1
451.32034	3.5
469.33688	1.6
487.34137	100.0
488.34479	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	487.3415
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03927	1.9
55.05507	18.1
57.03411	1.8
57.07079	2.2
65.03928	2.0
67.05498	16.7
69.03407	7.0
69.07063	14.5
69.54358	8.8
69.54773	3.2
77.03938	1.6
79.05486	16.0
81.07049	34.5
83.04986	1.8
83.08614	17.9
85.06527	4.3
85.65781	1.5
91.05471	22.6
93.07036	38.2
95.04962	4.8
95.08594	58.0
97.06522	35.8
97.10155	2.9
98.21468	2.4
99.08080	18.3
101.78579	1.5
105.07021	50.7
107.08582	71.6
109.06521	12.0
109.10146	37.1
111.08062	8.0
115.05450	2.3
117.06987	8.7
119.08568	100.0
121.06542	4.1
121.10128	55.3
123.08049	7.5
123.11687	12.8
125.09594	14.0
125.10255	1.2
128.06236	3.4
129.06981	8.8
130.07739	2.4
131.07565	3.2
131.08548	49.6
133.10117	59.0
135.08052	3.2
135.11671	24.3
137.09589	6.9
137.13278	3.2
142.07790	4.9
143.08559	25.9
144.09349	4.2
145.10109	69.7
147.08066	1.4
147.11667	37.5
149.09615	14.2
149.13239	18.1
151.07497	1.7
151.11157	7.3
152.06155	1.4
153.09108	1.9
155.08583	5.1
156.09348	4.4
157.10118	30.9
158.10938	3.6
159.08072	1.9
159.11676	49.0
161.09636	4.2
161.13246	40.6
163.07530	4.2
163.11200	6.3
163.14812	8.2
165.12831	2.0
166.18057	1.4
169.10089	10.7
170.10907	5.6
171.08018	1.7
171.11658	26.7
172.12454	2.9
173.09679	2.2
173.13252	44.8
175.07578	2.4
175.11208	2.2
175.14793	35.1
177.12753	3.2
177.16400	11.9
179.14278	1.7
181.10165	2.1
183.11681	21.4
183.67693	1.4
184.12468	2.3
185.13231	55.5
186.13966	2.3
187.14799	71.3
189.12726	2.7
189.16385	18.6
191.14330	5.1
191.17953	3.5
193.15927	4.5
195.11685	6.0
196.12492	2.2
197.13303	11.1
198.13876	1.8
199.12949	2.6
199.14792	43.9
199.16541	2.5
201.12726	2.9
201.16354	44.1
202.16786	1.6
203.14308	24.9
203.17952	6.9
205.12270	1.7
205.15820	9.7
207.11871	2.5
207.17505	2.5
209.13298	6.0
211.14793	10.3
213.12830	1.8
213.16354	24.5
215.14301	3.1
215.17851	10.2
217.15843	12.9
217.19594	1.4
219.13823	1.4
219.17398	15.0
221.15445	3.2
223.14883	5.1
224.15359	1.7
225.16364	8.2
227.17873	7.4
229.15947	4.7
229.19513	2.5
231.13805	3.8
231.17372	7.3
233.15355	4.2
233.19064	4.7
235.14774	2.8
235.16911	2.3
237.16396	6.5
239.14253	1.5
239.17952	6.2
241.19534	6.1
243.17430	2.6
245.15341	16.0
245.19081	1.8
247.16933	3.5
249.14713	18.0
251.17978	3.7
253.19548	5.8
255.21109	2.5
257.18961	1.7
259.16971	4.5
265.19501	3.9
267.21054	4.4
277.19595	1.7
279.21069	4.3
281.22708	4.0
285.18567	3.5
291.21231	3.2
293.22565	3.4
299.20367	1.8
299.23773	2.5
307.24149	4.1
317.22693	2.2
321.25745	2.2
325.21753	2.0
333.26028	1.8
335.23764	4.1
339.23138	1.6
346.72220	1.4
347.27283	3.7
349.25021	1.7
349.28952	1.8
351.26880	1.9
365.28522	5.1
367.26205	1.6
387.30487	10.3
389.31644	1.8
393.27740	15.8
405.31476	80.9
406.31854	1.5
407.33112	9.0
411.28687	7.7
415.29877	2.3
421.31262	3.1
423.32550	29.5
433.31030	24.9
439.31934	2.4
441.33588	18.6
451.32040	40.2
469.33243	21.2
487.34198	51.3
488.34662	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3413
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
55.05500	4.8
57.03421	1.4
57.07049	2.0
58.07388	0.9
61.27991	0.8
67.05488	5.6
69.07050	5.1
70.71462	2.6
71.08621	1.9
79.05488	4.7
81.03461	0.9
81.07042	9.4
83.04932	0.9
83.08623	4.1
84.41288	0.9
85.44717	0.8
91.05452	4.4
93.07033	8.7
95.04955	2.0
95.08597	11.3
97.06509	0.8
97.10193	1.1
98.21084	2.2
105.07020	8.4
107.08582	14.0
109.06507	2.0
109.10132	6.9
110.93431	0.8
111.08028	1.0
111.35366	0.9
117.07015	1.5
119.08559	14.5
121.06531	1.0
121.10117	9.5
123.08079	4.4
123.11658	2.0
125.09611	1.1
129.06984	1.4
131.08562	5.9
133.10121	8.7
134.10490	0.9
135.08029	3.7
135.11697	5.8
137.13179	0.9
143.08539	1.6
145.10097	10.8
147.07903	0.9
147.11679	8.8
149.09608	2.8
149.13260	3.7
151.11298	0.8
157.10127	3.5
159.11644	6.2
161.09534	2.0
161.13280	5.4
163.11160	1.9
163.14786	3.8
171.11687	2.7
173.09630	1.0
173.13229	4.8
175.11145	1.5
175.14784	3.5
177.12791	1.6
177.16354	4.1
179.10704	1.3
183.11678	1.2
185.13229	3.2
187.14815	14.1
189.12651	1.5
189.16325	3.5
191.14273	1.5
191.17966	1.2
193.12227	1.2
199.14822	2.5
201.16374	15.0
203.14296	3.7
203.17967	3.5
205.15833	12.3
211.14706	1.0
213.16391	1.7
215.17940	1.3
217.15872	1.9
219.17439	2.1
221.15376	5.0
229.19501	1.7
231.17430	1.2
233.15300	1.3
235.16994	0.9
243.21036	1.6
247.16879	3.2
251.16330	1.5
255.21059	2.8
269.22626	1.5
275.20053	1.5
287.25461	0.9
301.21628	1.1
313.27267	3.4
314.27637	1.4
315.23270	1.2
315.27960	4.3
345.24197	8.3
371.25818	6.1
405.31329	3.4
423.32593	14.8
433.31305	1.4
441.33594	100.0
442.33713	3.7
451.31760	2.8
469.33154	5.7
487.34265	12.1
488.34836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03919	1.6
55.01857	2.3
55.05507	11.2
57.03409	2.6
57.07053	3.7
59.04989	3.4
66.80311	1.9
67.05495	12.7
69.03416	3.3
69.07051	22.5
70.89176	3.0
70.89538	4.1
72.88776	1.5
79.05479	14.7
81.03394	2.2
81.07051	30.1
81.83725	1.7
83.04958	5.6
83.08592	7.1
85.06530	2.4
91.05468	24.8
93.07034	35.9
95.04943	6.6
95.08590	45.1
97.06503	7.3
97.10144	3.7
105.07014	45.1
107.08580	54.4
109.06490	3.4
109.10139	30.0
111.08057	5.0
115.05437	2.7
116.06217	2.2
117.07026	11.0
119.08564	73.2
121.06475	7.0
121.09294	2.5
121.10127	33.7
123.08063	8.2
123.11671	12.8
125.09529	2.5
128.06192	4.9
129.06973	6.8
130.07755	2.8
131.08554	31.2
133.06468	4.6
133.09091	2.8
133.10109	57.0
135.08022	13.3
135.11662	33.9
137.09567	5.8
137.13219	3.9
139.11172	1.9
141.06941	2.9
142.07721	5.2
143.08531	15.1
145.06454	7.4
145.10101	54.7
146.07213	2.7
146.10373	2.1
147.08040	24.8
147.11668	36.5
149.09605	13.0
149.13217	13.6
151.07539	5.0
151.11163	4.4
153.06908	2.3
155.08556	7.9
156.09311	5.5
157.10100	15.6
158.07222	2.0
158.10869	2.8
159.08054	25.9
159.11673	30.5
161.09599	44.4
161.13225	22.4
162.09975	2.1
163.07504	4.8
163.11192	6.0
163.14780	6.7
165.07050	1.8
165.09082	10.4
165.12767	2.5
167.08495	5.4
168.09270	2.5
169.10139	9.5
170.10944	3.0
171.08081	2.3
171.11650	12.4
172.08797	4.3
173.09604	16.2
173.13220	17.9
174.13678	2.0
175.07507	7.8
175.11154	9.7
175.14806	11.9
177.09123	9.0
177.12762	2.5
177.16284	3.5
179.10664	1.6
179.14355	2.5
180.09251	1.9
181.10069	3.0
182.10886	6.5
183.08040	2.5
183.11647	9.0
184.08827	2.0
185.09564	6.5
185.13271	12.5
187.07501	8.6
187.11176	8.8
187.14784	27.8
189.09106	2.6
189.12741	7.8
189.16368	30.1
191.10655	3.9
191.14267	3.7
191.17924	25.4
192.09372	1.8
193.10184	2.1
193.12299	1.8
195.08055	2.1
195.11700	7.8
197.09523	1.9
197.13223	19.2
198.10341	2.4
199.11096	6.7
199.14873	8.9
200.11955	2.9
201.09065	5.2
201.12669	12.7
201.14328	1.8
201.16385	13.8
203.14301	11.8
203.17920	35.8
205.12202	4.6
205.15904	5.2
207.11697	4.9
207.17375	12.3
209.13222	4.4
210.10472	2.3
211.11235	1.5
211.14844	2.8
213.12746	13.5
213.16403	3.6
215.14319	31.5
215.17859	4.9
217.12212	9.1
217.15749	3.0
217.19490	4.7
219.13715	11.5
219.17282	2.0
221.13342	2.7
221.18942	5.7
223.14862	3.4
225.12715	7.3
225.16309	6.3
227.14232	3.1
227.17834	4.8
229.12149	2.3
229.19522	3.0
231.11684	1.5
231.13754	31.8
231.17278	2.2
233.15326	14.0
237.16261	2.6
239.17935	3.8
243.13783	40.1
245.15454	4.4
247.69650	1.7
249.14767	8.5
251.17836	5.6
253.15790	2.3
253.19353	3.2
255.17346	2.1
261.14789	39.4
265.14221	2.2
269.19012	2.0
275.96637	1.7
277.19443	1.9
279.15875	100.0
280.16129	3.5
283.20309	2.2
285.18390	2.2
285.22238	2.0
289.56839	1.6
297.18649	3.2
335.23602	2.1
387.30469	4.0
405.31482	8.4
415.29807	2.1
421.30743	5.1
423.32657	11.1
433.30984	16.0
439.32068	8.2
451.32074	30.1
469.33228	26.7
487.34586	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	487.3412
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.12572	3.0
55.05502	15.2
67.05502	20.5
67.07697	2.9
69.07066	17.8
70.89406	9.2
74.87402	3.0
79.05486	16.0
81.07056	38.9
83.04958	3.6
83.08603	11.2
91.05471	17.4
93.07046	42.3
94.95107	3.9
95.08593	57.2
97.06535	11.1
99.08064	11.3
105.07017	57.2
107.04870	3.4
107.08583	59.3
109.06513	7.1
109.10152	30.2
111.08097	7.6
117.07011	6.9
119.08571	100.0
121.06488	4.0
121.10136	52.7
123.08043	11.1
123.11719	10.3
125.09621	12.3
128.06194	3.9
129.07011	6.1
131.08565	56.1
133.10133	56.7
135.08052	7.3
135.11667	27.0
137.09607	6.8
143.07591	3.4
143.08527	18.9
145.10117	68.4
147.11674	64.6
149.09593	9.4
149.13268	13.7
151.11176	4.1
153.09102	4.2
157.10103	32.0
158.10887	4.1
159.11703	54.6
161.09612	7.1
161.13245	24.2
161.69328	3.5
163.11165	6.9
163.14824	13.7
167.10664	5.1
169.10158	6.0
171.11615	16.3
173.13229	52.5
175.11166	4.7
175.14804	34.0
177.12840	4.4
177.16371	13.5
183.11638	7.2
185.13243	35.0
187.14799	82.3
187.16418	6.2
189.16383	33.7
191.14305	33.4
191.17892	6.1
194.67818	3.7
197.13257	7.8
199.14787	33.6
201.12891	4.0
201.16373	98.6
203.14328	29.2
203.17845	19.4
205.15759	19.8
209.13177	5.0
211.14851	8.1
213.16278	22.1
215.17941	7.6
217.15810	19.4
219.17380	17.6
221.15279	31.2
223.16922	4.3
225.16412	10.0
227.17857	9.3
229.15897	5.0
231.17326	6.6
233.15320	4.3
235.16898	14.4
237.16220	4.1
239.16342	11.0
245.15440	4.2
247.16927	18.1
249.14871	12.0
251.18237	4.3
255.20894	4.1
259.16998	4.5
281.22702	4.0
283.20419	4.0
327.23270	3.9
369.27649	4.3
383.09802	3.8
387.30432	7.4
393.31613	6.9
405.26511	5.3
405.31512	56.4
407.33026	4.0
421.31137	4.7
423.32651	39.1
433.30942	24.2
439.32208	7.4
441.33432	13.3
451.32062	41.5
469.33365	18.4
487.34189	86.4
488.34119	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	487.3412
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.63986	3.2
55.05504	10.5
63.08845	3.1
67.05488	9.8
69.03380	4.2
69.07059	12.1
71.07761	8.1
79.05461	11.8
81.07050	23.6
83.08601	6.8
91.05448	13.7
93.07039	28.5
95.04922	5.1
95.08598	40.4
97.06490	3.4
97.10140	3.3
105.07021	47.5
107.08594	32.3
109.06463	4.8
109.10151	19.3
111.08092	3.2
113.51841	3.0
117.06942	6.5
119.08572	61.6
121.06461	4.3
121.10136	28.7
123.08076	6.6
123.11700	4.5
129.06944	3.6
131.08557	38.7
133.10118	41.9
135.08063	5.2
135.11681	11.8
137.09660	3.8
143.08542	10.6
145.10100	55.3
147.11681	22.5
149.09558	6.4
149.13283	15.5
157.10089	14.7
159.11678	42.0
161.09641	6.8
161.13234	20.5
163.11121	7.5
163.14810	15.6
169.10042	3.6
171.11641	13.0
173.13251	41.0
175.11119	4.2
175.14821	39.3
177.12727	4.1
177.16359	12.5
185.13225	12.0
187.14822	45.0
189.16391	17.6
191.14287	77.4
191.17899	4.3
193.12183	3.7
197.13197	4.5
199.14780	12.5
201.16353	100.0
203.14320	17.4
203.17950	34.5
205.15851	12.5
213.16342	10.0
215.14403	4.3
215.17970	7.8
217.15742	6.8
219.31096	3.1
221.15353	34.2
223.16919	4.4
227.17896	6.7
229.15927	3.4
235.16933	8.4
239.16415	4.2
241.19455	3.8
247.16922	39.1
249.18407	5.2
300.02045	3.0
375.30640	4.0
405.04807	3.4
405.31461	14.7
423.32520	57.2
424.32971	4.7
433.31128	8.4
441.33664	27.5
451.32242	7.0
469.32855	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	487.3411
Annotation	7,8-Didehydrocimigenol
Peak:m/z	Relative Intensity
50.16312	0.4
51.14074	0.5
55.05502	1.7
57.07067	0.7
57.80576	0.4
59.04975	0.5
67.05493	3.9
69.07056	1.8
70.15530	1.9
71.04985	0.6
79.05476	1.7
81.07048	5.3
83.04980	1.2
83.08613	1.4
91.05474	2.1
93.07032	4.9
95.04942	0.9
95.08601	13.7
97.06503	1.0
98.21208	1.0
105.07014	8.9
106.86256	0.6
107.08579	8.5
109.06508	1.2
109.10143	9.5
111.08063	0.6
117.06997	0.7
117.36866	0.5
119.08571	11.4
121.06513	0.6
121.10121	8.8
123.08064	1.2
123.11679	3.1
125.09563	0.6
129.07011	1.2
131.08569	3.5
133.06456	0.7
133.10118	12.4
135.08052	2.2
135.11673	5.7
137.09627	0.7
143.08568	1.7
145.10117	6.7
147.07999	1.0
147.11668	4.8
149.09593	1.4
149.13231	3.9
151.11116	1.5
153.09074	0.9
155.08540	1.4
157.10046	3.5
159.08049	1.1
159.11665	4.2
161.09598	4.0
161.13263	2.4
163.07452	0.6
163.11160	1.1
163.14806	2.2
169.10150	1.4
171.11642	3.1
172.00998	0.5
173.09592	1.3
173.13272	5.2
175.11154	1.6
175.14792	6.9
177.16360	1.7
183.11653	1.6
185.13324	1.3
187.11133	1.7
187.14777	5.9
189.12778	1.4
189.16370	6.5
191.14317	1.9
191.17969	0.8
195.11572	0.5
197.13216	1.6
199.14726	3.3
201.12741	0.8
201.16428	1.8
203.14304	2.1
203.18086	0.8
205.15819	1.2
211.14798	1.3
213.16333	1.1
215.14337	4.4
215.17915	0.8
217.15880	3.7
223.14926	0.8
225.16389	0.8
227.17924	1.5
229.15852	0.9
233.15382	3.2
235.16895	1.5
237.16318	0.6
239.17911	0.9
241.19521	1.4
243.17471	1.0
251.16228	2.3
253.19566	1.7
255.21053	0.8
267.21265	0.6
269.19238	0.6
273.18588	0.6
279.21008	0.6
283.20737	0.6
289.17996	0.8
299.19989	0.5
311.23523	0.6
327.23218	0.6
335.27411	0.7
341.21658	0.6
343.22592	1.2
353.25098	0.6
357.24252	1.4
371.25858	0.6
387.30383	1.0
393.31796	1.2
405.31555	5.0
409.44614	0.7
411.28842	1.0
423.32721	3.6
425.30649	0.7
433.30942	1.8
439.31998	6.3
441.33688	1.6
451.32043	13.9
452.32227	0.7
469.33130	25.8
470.33658	1.4
487.34125	100.0
488.34521	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	487.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95350	2.5
55.05506	13.6
57.03410	3.0
57.07061	4.6
62.93929	2.6
67.05498	14.5
69.07054	20.4
69.51984	27.9
71.04970	4.9
79.05491	16.2
81.03384	2.7
81.07044	35.9
83.04945	4.8
83.08601	8.3
84.69264	2.4
85.02881	6.3
85.06528	4.5
91.05482	23.8
93.07037	48.7
95.04965	7.7
95.08593	43.2
97.02892	2.7
97.06504	6.0
97.10148	3.0
98.21550	5.9
99.08071	13.0
103.39259	2.8
105.06377	4.6
105.07027	59.3
106.07325	5.0
107.08584	52.5
108.08848	3.9
109.06506	7.4
109.10157	30.9
111.08052	7.2
117.07013	9.7
119.08571	100.0
120.08901	6.5
121.06477	5.6
121.10121	39.9
122.10506	4.0
123.08028	9.5
123.11675	11.8
125.09605	6.0
128.06200	3.7
129.06973	4.8
131.08562	58.1
132.08861	3.8
133.10129	53.1
134.10455	4.8
135.08038	10.0
135.11665	21.4
137.05917	3.7
137.09616	4.6
137.13274	5.3
139.11168	4.1
142.07848	3.6
143.08583	18.1
145.10098	49.7
146.10452	4.1
147.04398	3.3
147.08020	6.5
147.11684	79.8
148.11983	3.9
149.09576	6.3
149.13240	12.5
156.09229	4.0
157.10109	22.4
159.11670	43.1
161.09595	8.9
161.13237	21.6
163.03929	3.4
163.11176	3.2
163.14789	11.4
169.10023	5.7
170.10840	4.1
171.11659	16.5
173.09654	4.0
173.13260	50.1
174.13625	4.5
175.11104	8.2
175.14819	32.7
177.16396	5.3
179.14304	4.1
183.11639	10.4
185.13243	23.2
187.11197	4.4
187.14809	57.4
188.15051	5.4
189.12717	9.7
189.16350	12.8
191.14325	28.3
192.14691	4.0
193.15840	4.8
195.11685	4.1
197.13171	8.7
199.14798	17.3
200.15073	3.9
201.12773	4.3
201.16350	90.8
203.14265	22.1
203.17943	13.1
205.15921	16.0
211.14760	6.8
213.16408	13.9
215.14386	5.1
215.17982	5.4
217.12170	3.2
217.15825	6.3
219.17418	22.9
221.15363	42.4
227.17900	4.7
229.15849	4.1
231.17340	4.3
235.16928	5.4
245.15361	4.1
247.16808	5.4
265.17957	3.8
289.25256	7.3
307.26050	4.7
334.23785	5.3
361.57062	3.5
369.27713	3.9
387.30734	4.2
393.31235	4.8
405.31531	27.1
411.32425	12.1
423.32721	33.3
433.30991	5.1
439.27335	16.1
439.32108	5.8
441.33664	17.5
451.32599	13.5
469.32733	12.0
487.21597	5.1
487.34622	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05498	8.2
67.05483	9.2
69.07047	8.8
70.30915	1.7
70.83847	2.5
70.84185	2.9
71.05016	1.9
79.05494	14.6
81.07056	20.2
83.08606	6.7
85.06528	1.9
91.05480	17.5
93.07033	33.8
95.04955	6.6
95.08038	2.6
95.08598	34.9
97.06531	6.0
97.10184	2.3
99.08089	13.8
105.07023	50.5
107.08589	39.2
109.06514	6.2
109.10127	15.5
111.08025	2.8
114.72271	1.7
117.06993	5.5
119.08569	79.3
121.06470	4.2
121.10127	26.1
123.08028	5.4
123.11687	3.2
129.07002	3.6
131.08549	55.0
133.10115	46.6
133.10930	1.2
135.08046	6.6
135.11667	15.0
137.09625	4.1
143.08556	9.4
144.09253	1.7
144.94397	1.6
145.10107	44.7
147.07973	5.3
147.11678	79.0
149.09601	4.4
149.13260	10.4
151.11189	1.6
155.08652	2.0
156.09216	2.9
157.10095	14.2
158.10870	3.0
159.11664	35.2
161.09575	8.6
161.13200	16.7
161.14197	1.5
163.11174	7.6
163.14786	8.3
165.09146	2.1
167.10660	3.0
169.10106	3.0
170.10851	2.6
171.11638	12.7
172.12469	2.2
173.13249	47.6
175.11389	3.6
175.14806	31.3
177.12755	5.6
177.16350	10.0
179.14307	1.9
183.11679	6.1
185.13254	17.4
186.14001	2.1
187.11227	2.2
187.13120	3.5
187.14795	61.0
189.12721	3.2
189.16327	13.0
191.14293	29.8
191.17944	2.1
193.12273	2.5
193.15923	2.3
195.11678	2.3
197.13232	5.6
199.14796	14.2
201.16362	100.0
203.14314	19.5
203.17896	12.7
205.15848	13.1
206.47260	1.7
207.17538	2.3
211.14783	5.8
213.16331	10.0
215.17885	5.2
217.15897	8.8
219.17412	28.9
221.15350	47.5
223.16869	4.4
227.17958	4.6
229.15833	4.7
229.19632	3.1
231.17389	4.4
233.15291	2.2
235.14828	2.2
235.16924	7.3
239.18008	3.1
245.15364	2.2
247.16879	11.5
247.20573	2.1
249.18636	2.2
253.19344	2.6
255.20969	2.2
265.17969	6.9
269.22461	2.3
299.23706	2.1
333.25455	2.0
365.28293	4.3
369.27905	4.6
387.30365	4.8
393.31439	7.4
405.31458	28.1
411.32556	11.0
423.32532	42.5
424.33072	3.3
433.30853	1.9
439.31787	4.5
441.33609	19.0
443.93378	1.7
451.32080	10.7
452.31839	2.0
467.11755	2.0
469.33026	12.8
472.21954	1.9
487.34222	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	487.3414
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
50.94473	3.6
53.86429	3.1
55.05498	14.3
58.50479	3.8
64.31030	3.3
67.05508	18.6
69.03432	4.5
69.07065	16.9
69.40494	36.2
71.04991	4.1
79.05504	18.5
81.07050	34.4
83.08598	12.0
91.05463	21.6
93.07035	40.3
95.04940	9.7
95.08600	57.4
97.06521	10.0
98.00987	3.7
99.08070	5.9
105.07018	69.3
107.08572	53.2
109.06532	9.5
109.10143	29.8
111.08064	10.2
117.06994	11.9
119.08566	91.3
121.06470	7.9
121.10133	40.2
123.08011	8.6
123.11658	13.4
125.09629	3.6
129.06943	7.5
131.08562	56.2
133.10112	52.0
135.08011	7.6
135.11716	19.6
137.09627	6.8
143.08549	14.4
145.10103	88.7
147.08011	6.6
147.11662	33.0
149.09578	12.2
149.13226	16.5
151.11162	4.7
155.08473	4.5
157.10104	21.4
158.10823	4.4
159.11679	51.8
161.09612	8.0
161.13203	33.2
162.13449	3.8
163.11162	11.2
163.14809	18.1
167.10670	4.8
169.10078	6.5
170.10918	4.1
171.11656	14.2
173.13235	70.4
175.11166	6.8
175.14810	36.3
177.12727	7.8
177.16341	13.0
182.00465	3.2
182.10728	3.3
183.11639	8.4
185.13271	25.7
187.14803	100.0
189.12686	4.6
189.16344	23.5
191.14275	71.1
191.17834	5.2
197.13269	6.7
199.14816	26.0
201.16356	97.8
203.14275	19.5
203.17871	29.5
205.15807	29.9
211.14798	6.3
213.16386	16.5
215.17868	10.8
217.15799	7.7
217.19452	3.6
219.17436	14.6
221.15289	43.2
225.16376	6.5
225.46428	3.3
227.17915	6.5
229.15773	8.1
229.19446	11.2
231.17355	8.4
233.15327	5.2
235.16840	5.0
241.19551	3.7
247.16908	22.8
261.18533	4.1
269.22650	4.5
308.85275	4.1
387.30621	7.2
393.31448	9.6
405.31494	35.9
411.32578	5.5
421.31125	6.1
423.32477	80.5
431.93658	4.2
432.29892	3.8
433.31055	10.5
435.84000	3.5
439.31870	4.8
441.33530	29.8
451.32217	31.6
466.15909	4.1
469.33893	16.7
487.34592	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	487.3417
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03942	2.0
55.01866	1.6
55.05501	12.7
57.03441	2.2
57.07066	2.6
60.01892	1.3
60.10049	1.4
65.03934	1.2
67.05497	16.9
69.03426	5.0
69.07059	14.6
69.84705	7.8
69.97717	1.1
71.04984	3.0
71.08642	1.8
79.05482	19.7
81.07050	45.1
83.05014	2.6
83.08617	9.5
91.05467	28.0
91.05996	2.1
93.07037	46.1
95.04939	7.8
95.08599	60.0
97.06525	12.2
97.10201	2.7
99.08090	11.1
103.05521	1.7
105.07022	66.7
107.08585	69.2
109.06516	8.6
109.10152	34.2
111.08086	4.9
111.11735	1.4
113.09688	1.9
115.05424	3.0
117.06319	1.3
117.06995	8.4
118.07285	1.5
119.08573	100.0
120.08897	1.7
121.06516	5.1
121.10133	47.8
121.11013	2.4
123.08031	8.6
123.11691	12.3
125.06010	1.4
125.09649	10.6
128.06203	2.7
129.07025	4.8
131.07568	2.8
131.08559	53.6
132.08968	1.7
133.06601	1.6
133.10118	66.0
135.08009	6.7
135.11679	29.0
135.12671	1.7
137.09647	6.0
137.13269	2.1
142.07811	4.5
143.08543	19.0
144.09335	4.9
144.43082	1.3
145.10107	71.5
147.08084	4.6
147.11678	69.2
149.09596	9.6
149.13225	12.0
151.11208	3.9
153.09195	2.0
155.08580	5.1
156.09325	3.7
157.10114	29.7
157.11276	2.4
158.10916	4.2
159.08150	2.2
159.11685	53.9
159.13002	2.8
160.08827	1.4
161.09587	8.5
161.13231	29.1
163.07602	3.7
163.11195	7.5
163.14806	15.5
165.09044	1.7
165.12820	2.2
167.10667	8.4
169.10127	7.9
170.10936	5.9
171.11658	20.1
171.12889	1.6
172.12424	1.6
173.09746	1.7
173.13257	58.4
175.11250	7.0
175.14807	34.5
175.16226	2.1
177.09108	2.0
177.12790	5.3
177.16377	12.3
179.14394	3.8
181.10202	1.7
182.10968	2.5
183.11694	11.3
184.12517	2.4
185.13251	31.1
186.14056	2.1
187.11275	2.6
187.14812	71.4
189.12834	4.1
189.16368	19.3
191.14302	32.4
191.18042	4.3
193.10217	1.6
193.12369	1.6
193.15948	6.3
195.11789	3.9
197.13266	10.2
199.14825	37.9
201.12675	3.4
201.16373	97.7
202.16673	2.4
203.10693	1.5
203.14305	27.2
203.17899	11.4
205.12392	1.9
205.15843	19.8
205.17462	1.5
207.11737	1.6
207.13799	1.9
207.17426	2.7
209.13309	5.9
211.14799	8.7
213.12880	1.7
213.16371	20.4
213.18271	1.7
215.14372	5.7
215.17924	9.5
217.15857	8.0
217.19542	2.2
219.13979	3.2
219.17407	19.9
219.19269	1.6
221.13359	2.0
221.15340	35.1
221.18797	1.5
223.14830	3.9
223.16956	3.4
225.12833	1.6
225.16341	7.7
227.17926	6.9
229.15965	5.9
229.19585	3.7
231.13844	2.3
231.17444	7.3
233.15341	6.4
233.19052	2.3
234.56149	1.6
235.14879	2.1
235.16930	3.5
237.16458	3.6
239.18015	4.9
241.19633	4.8
243.13826	2.9
243.17580	2.5
245.15398	11.4
245.18991	1.9
247.16927	11.0
249.14789	12.8
251.18066	2.6
253.19675	4.2
255.21159	2.7
259.17078	4.3
259.20679	2.4
261.14832	1.9
265.19781	2.0
267.21039	3.2
271.20541	1.6
277.19531	1.6
279.15936	2.5
279.20938	2.0
281.19360	1.4
281.22736	5.2
283.20728	2.9
285.10159	1.7
293.22610	1.9
297.22229	3.0
299.20441	1.8
299.23734	3.3
307.24280	1.9
309.22403	1.9
317.22784	2.3
321.25815	1.8
325.21429	1.8
327.23297	3.9
331.24402	1.7
335.23874	3.2
347.27454	2.4
351.26935	2.0
365.28281	2.0
369.28207	2.4
375.30655	3.1
377.32248	2.0
387.30246	9.9
393.31805	2.8
405.31525	61.5
406.32062	2.7
407.32990	6.9
411.32758	6.0
421.30743	6.6
423.32605	45.9
424.32739	2.2
433.31064	21.1
439.32117	4.0
441.33572	17.7
445.58984	1.7
451.32098	40.4
452.31952	1.9
469.33356	19.6
487.34296	81.9
488.34753	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	487.3414
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
52.99260	1.2
55.01871	2.4
55.05504	11.5
57.03429	2.7
57.07072	3.3
67.05497	19.3
69.03426	8.0
69.07058	15.6
69.39999	14.4
71.04984	4.6
71.08649	1.7
79.05483	21.3
81.07047	58.2
83.04971	4.4
83.08611	9.2
85.02904	3.2
85.06556	2.3
91.05465	27.4
91.05992	2.0
93.07034	44.9
94.07385	1.6
95.04954	9.8
95.08597	71.7
97.06531	11.9
97.10173	4.1
98.97588	2.4
99.08093	4.4
103.05461	2.7
105.07013	74.3
107.04955	1.9
107.08578	70.4
108.08898	1.4
109.06481	9.3
109.10139	38.1
111.08083	6.3
115.05447	1.8
117.06986	13.2
119.08564	100.0
120.08945	2.3
121.06510	5.9
121.10126	50.0
123.08079	7.1
123.11684	14.8
124.07586	1.4
125.09594	11.0
127.11208	1.3
128.06241	2.5
129.06943	6.6
130.07793	2.2
131.08553	50.5
133.06450	1.5
133.10110	53.4
134.10419	1.9
135.08069	6.2
135.11671	37.2
137.05928	1.7
137.09660	4.7
137.13213	2.3
139.07536	2.2
139.11185	1.5
141.07011	1.6
142.07791	4.8
143.08536	18.7
144.09364	2.4
145.06544	2.0
145.10103	68.6
147.08086	2.6
147.11667	38.3
147.12766	2.4
149.09622	8.2
149.13222	16.2
151.07585	1.5
151.11217	4.3
155.08582	5.9
156.09340	2.3
157.10115	26.2
158.10886	3.0
159.08128	1.6
159.11671	60.7
161.09639	8.1
161.13245	37.8
163.03894	1.6
163.07544	4.0
163.11169	11.1
163.14789	22.8
165.09090	1.9
165.12770	1.8
167.10651	3.4
169.10138	7.1
170.10985	4.7
171.08134	1.9
171.11667	21.8
172.12579	2.2
173.09639	3.3
173.11755	2.9
173.13245	60.2
174.13847	2.8
175.11218	8.6
175.14804	43.6
175.16205	2.7
176.15205	2.1
177.09160	2.0
177.12823	4.0
177.16385	10.8
179.14287	7.2
181.10146	1.8
183.11732	7.0
184.12595	1.5
185.13234	27.5
186.13779	1.5
187.11272	3.4
187.14796	51.4
187.16385	2.6
189.12753	8.1
189.16347	27.3
191.14276	31.5
191.17953	9.4
193.12259	3.5
193.15819	7.2
195.11734	2.2
197.13206	7.8
199.14815	29.5
199.16547	2.0
201.12740	4.2
201.16357	61.6
201.18176	3.1
203.14294	20.0
203.16051	1.2
203.17868	16.0
205.12177	1.9
205.15852	20.8
207.11761	1.7
207.13855	1.6
207.17532	2.8
209.13315	2.2
211.11270	1.3
211.14798	7.8
213.12778	1.9
213.16348	15.8
215.14368	4.7
215.17932	7.1
217.15836	15.6
217.19420	2.4
219.13979	3.0
219.17410	28.7
221.13287	1.4
221.15326	38.2
221.18799	1.8
223.14883	2.6
223.16971	2.0
225.16473	5.4
227.17892	6.6
229.15816	7.0
229.19627	4.8
231.13855	2.4
231.17358	10.7
231.21292	1.5
233.15317	4.3
233.19092	4.6
235.16942	1.9
237.14842	3.2
239.18134	3.8
241.19476	2.0
245.15469	4.2
245.19138	3.3
247.16843	7.0
247.20557	3.3
249.18718	2.4
251.16475	4.3
253.19572	3.4
255.21091	2.0
257.15497	2.1
257.19281	1.5
259.17029	1.5
259.20633	2.4
263.16306	2.1
265.17752	10.4
267.21295	2.1
269.10651	1.5
269.22675	1.9
277.18106	4.2
295.24088	1.7
299.23718	3.5
301.21317	1.5
307.26541	2.2
343.22937	1.5
345.24594	2.3
357.24164	2.0
375.30362	3.1
385.27625	1.7
387.30646	4.5
393.31589	11.6
395.33130	3.5
405.31516	25.0
407.33249	4.0
411.32706	12.8
423.32550	58.3
424.32980	2.5
425.34277	2.6
433.31207	5.4
439.32043	10.5
441.33630	27.8
451.32196	25.6
457.33270	4.3
469.33371	27.4
487.19168	47.5
487.34360	81.4
488.19531	7.4
488.34814	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3412
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.02371	2.4
53.03949	3.2
53.36412	1.8
55.05504	14.1
57.03441	2.1
57.07050	2.2
59.04993	1.8
65.03919	2.7
65.23318	1.7
67.05501	21.3
69.03409	3.8
69.07063	16.7
71.08600	1.7
71.62266	3.1
79.05492	17.9
81.07045	35.3
83.04949	2.2
83.08606	12.4
85.06538	2.8
91.05475	17.6
93.07034	44.9
95.04978	6.7
95.08599	68.1
97.06500	4.3
97.10144	3.5
98.21146	2.5
101.06029	1.8
101.23478	1.7
105.07013	43.9
107.07854	3.3
107.08582	62.3
109.06513	11.3
109.10138	38.0
111.08070	7.9
113.05993	6.2
115.07586	1.8
117.07014	8.7
119.08566	82.1
121.06504	6.8
121.10133	47.9
123.08051	11.4
123.11738	10.3
125.05966	2.0
125.09653	4.6
129.07018	5.6
131.08553	31.9
133.09096	3.5
133.10118	73.4
134.10442	2.4
135.08023	5.9
135.11671	36.0
137.09618	6.7
137.13217	3.4
139.07538	3.0
141.09053	2.9
142.07787	2.2
143.08580	11.9
144.09340	2.1
145.10103	47.2
147.08076	4.7
147.11655	26.7
149.09608	20.3
149.13242	14.8
151.11197	3.6
153.09146	3.8
155.08522	2.9
156.09335	4.0
157.10091	21.6
159.08092	2.6
159.11688	37.8
160.12621	2.0
161.09621	8.4
161.13229	22.0
163.07449	3.0
163.11150	8.1
163.14803	17.2
165.09099	7.5
165.12737	4.9
167.10643	3.7
169.10109	6.1
170.10884	3.1
171.11659	15.8
173.09503	2.3
173.13235	28.9
175.11197	7.7
175.14798	28.4
177.09122	5.0
177.12733	4.3
177.16391	10.4
179.10577	2.1
183.11742	5.8
184.12424	5.1
185.13197	8.8
187.11072	2.0
187.14806	66.6
189.12729	3.8
189.16362	45.7
191.10710	2.3
191.14296	6.6
191.17964	9.1
193.15923	2.5
197.13232	6.5
199.14780	15.5
200.15378	2.0
201.12650	3.7
201.16357	36.1
203.14346	5.2
203.17908	23.9
205.15919	4.3
207.13698	3.3
207.17377	3.7
211.14876	3.0
213.16304	17.9
215.14430	4.6
215.17921	26.0
217.15895	17.2
219.13861	2.9
219.17406	4.0
221.15344	7.7
223.14711	2.9
225.16356	3.6
227.17839	5.5
229.15968	4.9
229.19527	7.2
231.17401	9.1
233.15292	6.4
235.16885	26.0
239.17987	4.4
241.19540	4.7
247.16901	28.1
249.18489	10.7
253.19482	2.4
255.21124	3.2
259.16870	3.1
261.18466	8.8
267.21240	4.7
273.18561	2.2
275.20020	3.5
293.22684	2.3
309.25790	4.7
313.21829	2.4
323.27393	5.3
327.23099	5.1
351.26755	9.7
355.26053	2.4
377.31982	2.4
387.30557	4.7
397.27032	4.2
405.31552	24.2
413.30417	3.5
423.32535	100.0
424.32898	2.9
433.30933	6.1
441.33664	7.3
451.32111	18.0
469.33231	19.2
487.34418	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	487.3429
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
52.61718	3.7
53.03925	5.6
55.01863	7.1
55.05505	37.1
57.03411	4.1
63.34353	3.7
65.03905	5.9
67.05500	63.6
69.03397	17.6
69.07058	32.1
70.03764	6.5
70.42214	14.4
71.82459	3.7
79.05484	44.8
81.03423	4.3
81.07047	76.7
83.04965	6.8
83.08601	16.8
85.02916	7.2
91.03951	3.8
91.05471	57.9
93.07034	55.7
95.04949	14.7
95.05517	4.1
95.08600	52.4
96.08959	4.2
97.02876	3.8
97.06500	9.5
97.10154	6.8
98.21008	6.0
99.04450	9.6
100.04798	3.8
105.06358	7.1
105.07020	78.2
106.07378	3.8
107.04936	9.4
107.08577	46.7
108.09005	4.7
109.02883	8.1
109.06506	9.3
109.10133	32.3
111.08092	4.8
115.05463	3.5
117.07011	26.2
119.08563	72.8
119.09344	6.4
120.08868	5.7
121.06490	7.2
121.10138	40.0
123.04426	5.9
123.08068	8.1
123.11687	12.8
125.09607	6.9
127.03917	4.3
128.06189	4.2
129.06981	12.9
129.55609	3.3
131.08559	38.4
133.06393	4.1
133.10114	56.5
135.08073	10.1
135.11668	16.4
137.09639	4.1
141.07002	8.0
142.07816	4.1
143.08585	29.9
145.06461	4.2
145.10124	49.3
146.10440	6.7
147.08041	6.5
147.11684	32.8
148.11995	4.7
149.09602	9.8
149.13258	7.6
155.08519	12.8
156.09282	3.3
157.10144	26.6
159.08046	7.2
159.11664	37.3
160.12012	7.5
161.09598	5.9
161.13249	16.2
163.14790	5.3
165.12730	12.5
169.10126	18.2
170.10538	5.2
171.11629	20.3
172.12105	3.9
173.09598	6.5
173.13280	19.0
175.11214	8.4
175.14793	14.8
177.12796	5.5
177.16386	8.4
181.10110	7.7
183.11642	11.1
185.09615	3.5
185.13237	16.8
186.13580	5.2
187.14825	27.4
188.15028	6.0
189.12775	6.8
189.16367	10.7
190.16695	5.1
191.17923	6.9
197.13248	16.1
198.13573	4.7
199.14835	6.3
201.16336	10.7
203.14307	8.0
203.17676	3.7
205.15826	6.7
207.13808	4.3
209.13310	7.3
211.14801	5.5
213.16345	3.9
215.14206	5.0
221.15344	10.3
225.16386	4.5
233.12872	4.1
233.15143	3.8
234.15604	4.5
239.17896	5.7
249.14769	4.2
252.95758	4.7
267.09027	12.4
275.20084	50.3
285.10028	16.3
307.20551	4.8
311.19943	4.3
313.21616	5.8
327.23059	5.4
405.31339	11.4
423.32227	12.0
433.31039	19.4
441.33774	28.5
451.32034	40.2
469.33151	62.0
487.34296	100.0
488.34351	6.1
508.18561	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	487.3415
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
54.70850	3.4
55.05500	11.6
57.03417	7.1
61.07066	3.6
61.32893	3.7
65.03944	3.7
67.05500	21.9
69.03394	5.5
69.07058	20.4
70.87605	6.4
70.87978	7.1
73.60254	4.4
79.05489	23.0
81.07050	43.7
83.08608	4.8
91.05464	21.8
92.16028	4.0
93.07037	47.5
95.04945	7.9
95.08596	86.4
97.06530	10.5
99.04430	4.6
105.07028	56.6
105.55452	4.1
107.08585	71.5
109.06518	11.8
109.10138	37.3
111.08070	6.2
113.06002	8.2
117.06967	6.1
119.08566	100.0
121.06499	9.1
121.10144	59.8
123.08038	13.2
123.11681	15.3
125.09593	7.2
129.06976	5.6
131.08566	30.5
133.09227	5.6
133.10133	71.8
135.01398	3.9
135.08031	11.2
135.11685	27.1
137.05933	6.8
137.09564	8.2
137.13274	5.8
139.07591	4.1
143.08533	15.9
145.10110	50.1
147.08028	16.4
147.11673	43.0
149.09590	15.3
149.13235	22.8
153.09045	7.3
155.08556	4.4
157.10107	18.9
159.11676	42.3
161.09604	14.2
161.13261	37.0
163.11169	12.4
163.14803	24.3
165.09097	26.0
165.12775	4.9
169.10078	5.3
171.11641	13.0
173.09668	5.1
173.13257	32.2
175.11282	8.3
175.14850	42.3
177.09148	6.5
177.12766	6.5
177.16347	17.1
179.29694	4.1
183.11652	5.5
184.12503	6.0
185.13281	10.4
187.14812	55.2
189.12712	36.7
189.16365	51.8
191.14247	20.2
191.17957	14.6
197.13191	7.3
199.14803	21.3
201.12683	10.3
201.16389	28.7
201.96223	4.1
203.14240	19.9
203.17921	48.9
205.15857	9.3
205.19569	5.6
207.13799	14.6
207.17610	5.4
211.14890	5.4
213.16406	20.2
215.14429	7.6
215.17882	25.9
217.15771	19.1
219.13800	24.3
220.11081	3.8
221.15379	8.8
227.17961	6.8
229.15738	6.7
229.19402	7.2
231.17586	6.7
233.15451	9.2
235.16960	18.0
237.14792	14.6
239.18005	5.2
244.53757	4.5
247.16919	17.0
249.18509	10.1
261.18518	12.7
267.21100	5.2
301.21738	5.4
309.22159	6.0
309.25693	7.3
311.27274	4.1
327.23260	5.6
355.26370	4.9
387.30423	7.8
393.31387	12.9
405.31531	38.6
411.28891	5.5
413.30508	10.0
423.32520	74.7
433.30746	17.7
439.31781	7.2
441.33749	40.1
451.32065	32.3
469.33234	43.5
480.90982	4.2
487.34299	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	487.3416
Annotation	gypsogenic acid
Peak:m/z	Relative Intensity
55.01851	2.6
55.05503	10.9
57.03428	4.2
57.07064	3.1
59.06141	2.2
67.05498	20.8
69.03422	12.2
69.07055	16.3
70.06570	5.7
71.04971	3.6
71.63583	3.0
79.05482	17.8
81.03432	3.2
81.07047	48.9
83.04943	4.3
83.08619	10.4
84.08158	2.0
85.02899	14.3
85.06529	2.8
86.09689	8.1
87.04436	2.1
91.05471	30.2
93.07042	41.9
95.04964	10.8
95.08598	57.9
97.02874	6.7
97.06519	11.6
97.10151	5.2
98.97567	2.3
99.04436	4.3
99.08117	3.0
103.05419	2.8
105.07021	69.3
107.04934	2.1
107.08583	63.4
108.08901	2.3
109.02805	2.8
109.06509	8.9
109.10149	33.1
111.08070	5.1
115.03879	5.8
115.05442	3.4
117.07027	12.4
119.04967	2.6
119.08568	100.0
121.06503	8.0
121.10124	44.4
123.08057	7.0
123.11685	10.9
125.09605	9.1
127.03883	7.5
128.06178	3.4
129.06989	6.3
130.07736	3.3
131.04956	2.0
131.08548	46.2
133.04924	4.7
133.06441	3.7
133.10120	57.9
135.08083	9.3
135.11691	31.4
137.05963	5.9
137.09602	6.2
137.13243	2.8
141.06903	2.0
141.09044	2.5
142.07771	3.4
143.08560	19.3
144.09322	2.3
145.04962	3.3
145.06458	2.6
145.10103	69.8
147.04424	3.5
147.08015	8.3
147.11676	45.1
149.05980	2.2
149.09601	10.0
149.13240	18.7
151.11177	4.1
153.09193	2.2
155.08562	5.4
156.09283	2.7
157.10104	23.3
158.10947	3.4
159.08047	4.7
159.11667	55.8
160.12137	2.1
161.05975	2.2
161.09619	10.2
161.13226	34.4
161.45872	1.9
163.03951	3.3
163.07518	4.4
163.11154	12.9
163.14792	18.7
164.10645	2.1
165.09077	5.7
165.12743	3.6
167.10635	2.4
169.10112	8.1
170.10852	4.2
171.11674	20.2
172.12343	1.9
173.09567	3.5
173.13252	55.9
175.11208	9.3
175.14807	42.0
177.05423	5.2
177.09180	2.6
177.12755	6.0
177.16367	10.4
179.10689	4.3
179.14241	5.0
183.11688	7.7
185.13229	27.7
187.11136	3.4
187.14806	45.1
189.09081	6.1
189.12706	6.1
189.16353	24.1
190.16823	1.9
191.14294	37.4
191.17929	7.6
193.12259	9.7
193.15839	10.2
195.11839	2.2
197.13261	8.8
199.14796	20.6
201.12697	3.9
201.16357	48.9
201.18214	2.4
202.16812	2.5
203.14304	22.8
203.17912	13.6
205.12256	2.8
205.15860	16.4
207.11864	2.1
207.13625	3.3
207.17401	4.1
211.14839	4.4
213.16357	17.5
215.14223	5.4
215.17941	7.6
217.12138	1.9
217.15860	14.7
219.10168	8.6
219.13795	5.5
219.17433	23.5
221.15359	44.3
223.16821	2.7
225.16350	3.2
227.17847	5.8
229.15842	5.6
229.19470	7.6
231.13666	2.2
231.17450	6.5
233.15395	3.4
233.18895	3.9
235.16934	6.2
239.18021	3.0
241.19559	2.4
243.17421	2.6
245.15346	2.5
245.18964	2.3
247.16927	7.8
247.20537	3.5
251.18079	3.4
261.18518	1.8
265.17853	15.8
267.21072	2.7
281.55307	1.9
299.19891	1.9
368.71414	1.9
375.30472	3.6
387.30118	2.8
393.31531	16.6
395.32932	2.9
405.31573	18.9
407.32959	2.5
411.32605	14.1
421.30951	4.8
423.32562	56.6
424.32620	2.8
425.34210	2.4
433.31003	3.5
439.32150	10.5
441.33548	35.3
451.32245	24.3
457.32977	5.0
469.33344	25.3
487.21497	26.0
487.34515	54.2
488.22214	4.9
488.34427	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	489.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01861	6.1
55.05494	17.6
57.03430	4.7
57.07058	3.8
61.02915	4.5
67.05499	37.7
69.03422	17.5
69.07060	25.3
70.74847	6.4
70.75243	6.3
71.04958	5.8
72.08130	3.7
75.26569	2.9
79.05483	38.8
81.03429	8.3
81.07053	68.9
83.04958	11.8
83.08599	8.1
85.02885	10.9
85.06528	3.7
91.05473	40.1
93.07036	64.7
94.07294	3.0
95.04968	20.1
95.08595	55.2
97.02886	14.7
97.06528	17.7
99.04448	4.7
99.08057	6.7
105.07016	66.6
105.59849	3.6
107.04931	14.6
107.08586	96.6
108.93224	3.2
109.02857	5.2
109.06525	19.2
109.10143	43.0
111.04430	6.8
111.08061	8.1
115.03883	13.5
117.07019	17.4
119.07770	6.0
119.08572	80.5
121.06491	22.4
121.10132	48.7
123.04426	3.6
123.08058	12.4
123.11697	12.2
125.09587	5.7
127.03925	5.3
129.06969	9.3
131.08565	39.7
133.06416	4.5
133.10124	51.3
135.08054	36.2
135.11710	24.0
137.05931	7.2
137.09572	5.3
139.07512	9.1
141.06967	5.4
142.07748	6.7
143.08549	22.2
145.06497	6.6
145.10120	49.7
147.08009	17.0
147.11671	40.4
149.05959	8.8
149.09602	16.2
149.13208	13.5
151.11142	6.1
153.09084	10.2
155.08464	7.5
156.09358	5.4
157.06569	3.8
157.10085	26.2
158.10756	3.2
159.08026	10.2
159.11676	47.0
161.09619	33.4
161.13258	23.7
163.11150	12.4
163.14749	7.6
165.09076	5.4
167.08461	3.2
169.10098	12.8
170.10927	3.7
171.08076	3.6
171.11696	22.4
173.09584	12.8
173.13275	37.5
175.11124	13.7
175.14813	24.7
177.12743	12.9
179.14330	6.0
183.11655	13.6
185.09615	7.7
185.13261	23.6
186.10318	4.7
187.11186	11.2
187.14835	21.7
189.12758	25.2
189.16362	12.7
191.14305	14.8
193.12196	10.7
195.11687	8.1
197.13225	14.4
199.11272	4.7
199.14806	10.7
201.12730	37.4
201.16360	6.0
203.14290	100.0
205.15794	4.9
207.13846	6.1
208.12524	3.9
210.14040	3.9
213.12758	8.2
213.16400	5.8
215.14328	20.4
217.15938	7.1
219.13777	62.6
221.15421	6.8
223.14865	5.0
225.16342	5.9
227.14243	6.6
227.17873	5.1
229.15854	6.6
231.13754	5.2
233.15312	16.2
235.16934	7.3
239.14197	4.5
239.17960	6.1
241.15854	4.2
243.17250	4.2
245.15344	6.1
247.17116	4.2
253.15778	3.7
259.16907	5.1
269.18967	4.9
275.20065	17.8
291.19531	5.8
307.20383	3.6
339.26825	8.7
349.23706	61.8
377.28452	5.6
379.26328	4.4
387.26724	6.6
395.29349	5.1
405.28006	30.0
407.29221	6.6
417.27695	9.3
423.28900	64.3
425.30389	6.7
435.28772	36.9
441.29929	75.2
443.31030	6.8
453.29886	53.2
471.31110	31.3
489.32455	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05892	1.6
53.03928	3.7
55.01861	2.2
55.05502	22.2
57.07072	13.8
65.90425	1.7
67.05154	3.4
67.05492	36.5
69.03421	7.2
69.07058	44.6
69.49234	15.6
71.04991	3.2
71.08624	6.9
79.05483	27.2
81.03420	5.2
81.07047	91.4
83.04967	5.0
83.08608	24.6
84.75259	1.8
85.02887	12.9
85.06535	3.6
91.05459	18.9
93.07031	50.0
93.29614	1.6
95.04979	8.7
95.08595	100.0
97.02874	3.1
97.06525	7.7
97.10178	16.6
98.20733	2.5
99.04430	2.4
99.08091	8.9
105.07021	34.7
107.04955	3.6
107.08582	45.3
107.09281	3.3
109.02856	2.8
109.06513	6.8
109.10146	54.8
111.04415	1.8
111.08060	4.9
111.11724	8.2
115.48705	1.9
116.35050	1.6
117.07004	3.8
119.04897	2.1
119.08566	30.2
121.06477	3.4
121.10122	44.6
123.08069	5.0
123.11691	35.3
125.09666	2.8
125.13271	5.3
127.03896	3.5
129.07010	2.3
131.08548	13.2
133.06563	2.0
133.10126	20.2
135.08049	6.3
135.11681	43.9
137.05959	2.3
137.09554	3.9
137.13242	24.2
139.11153	6.6
142.07768	2.2
143.08563	7.1
145.06468	1.8
145.10130	13.1
147.08014	4.0
147.11665	24.5
149.09576	5.5
149.13240	26.5
151.07701	2.0
151.14813	7.0
153.09053	2.0
153.12750	3.2
155.08635	2.0
157.10091	8.0
159.11649	10.6
161.09610	5.0
161.13231	15.2
163.11166	4.2
163.14798	18.0
165.09073	3.5
165.12747	3.5
165.16389	2.9
165.27228	1.6
167.07034	2.5
167.14302	2.3
169.10092	2.4
171.07970	2.0
171.11649	6.5
173.09647	3.5
173.13269	8.7
175.11197	3.7
175.14818	7.9
177.09154	2.1
177.12740	3.4
177.16385	11.8
179.14272	2.2
179.17903	3.0
181.04839	2.9
183.11731	5.1
183.13797	6.1
184.12079	1.6
185.09598	2.2
185.13284	5.2
187.03813	2.0
187.11208	2.4
187.14822	6.6
189.12738	3.7
189.16417	4.2
191.14284	4.8
191.17882	8.3
193.12212	2.9
197.13179	2.0
199.14815	4.2
201.12732	4.0
201.16357	2.3
203.14410	5.3
203.17963	8.4
205.12106	2.1
205.15828	2.9
205.19514	1.8
211.14854	2.6
213.16405	2.5
215.14305	2.9
217.12196	3.4
217.19545	5.1
219.13779	5.2
221.15395	4.5
247.24164	4.3
249.18451	2.7
273.25687	14.8
291.26904	11.4
302.14023	1.8
309.27887	3.6
315.16168	1.8
425.34531	2.0
435.28674	3.9
446.59705	1.8
453.29666	8.6
471.30771	16.3
489.17706	2.9
489.32208	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05257	2.3
55.05501	22.6
57.03425	3.1
57.07068	11.6
61.02917	2.5
65.03931	2.0
67.05161	2.7
67.05494	34.8
68.62005	2.1
68.77837	2.1
69.03403	7.6
69.06709	3.0
69.07059	34.8
71.04958	3.1
71.08614	5.8
71.61709	2.9
79.05486	24.9
81.03407	3.9
81.07049	83.3
83.04958	3.9
83.08611	19.7
85.02892	11.6
85.06555	2.9
91.05476	20.0
93.07036	54.8
95.04968	10.4
95.08595	100.0
97.02861	4.4
97.06515	6.6
97.10173	12.0
99.08087	7.7
103.05444	2.0
105.06303	1.4
105.07011	42.6
107.04927	4.2
107.08587	50.9
109.06496	7.4
109.10150	48.9
111.08067	5.1
111.11713	9.4
113.06000	6.9
117.07010	5.9
119.08570	40.3
121.06487	6.6
121.10133	44.0
123.04417	2.3
123.08054	6.2
123.11697	27.9
124.92303	2.2
125.09608	3.5
125.13241	6.1
127.03909	3.8
129.06946	3.8
131.04938	3.1
131.08546	20.1
133.10115	26.7
135.08035	8.8
135.11656	37.1
137.09608	3.0
137.13249	18.8
139.11157	5.1
143.08574	5.2
145.06474	2.8
145.10107	20.0
147.08026	5.2
147.11653	30.1
149.09560	6.8
149.12160	2.8
149.13239	29.9
151.07501	3.4
151.14755	4.3
153.12735	2.9
155.10664	2.3
156.09244	4.0
157.10075	9.9
159.08017	3.6
159.11670	18.1
161.09526	4.6
161.13185	13.7
163.11200	3.1
163.14786	17.1
165.09090	8.9
165.12741	6.9
165.16391	2.5
167.06946	3.8
167.10617	3.0
169.10121	5.9
171.11682	9.0
173.09615	4.1
173.13240	14.2
174.35495	2.6
175.11111	5.3
175.14818	9.3
177.12750	7.2
177.16399	8.9
181.04990	3.4
183.11691	6.2
183.13756	3.7
185.13185	8.1
187.11130	3.6
187.14745	10.5
189.12671	7.9
189.16376	9.1
191.14262	4.7
191.17920	8.6
197.13177	3.9
199.14786	3.7
201.12750	7.4
201.16425	5.7
203.14243	8.4
203.17924	9.1
205.12225	7.8
205.15828	5.2
207.13707	3.3
209.13264	2.6
213.16270	3.3
215.14310	2.8
217.19511	5.1
219.13788	4.3
221.15260	6.2
231.13869	3.6
235.20819	2.5
247.24098	4.2
249.18454	2.7
273.25815	15.5
291.26767	10.8
309.27786	3.5
389.28259	3.2
407.29288	4.3
423.29025	3.2
425.29999	4.8
435.28760	4.0
453.29788	9.2
471.30969	23.3
489.17471	3.6
489.32312	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	489.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01867	5.0
55.05505	23.1
57.03423	3.5
57.07062	11.3
58.69859	2.4
61.02908	3.1
67.05501	42.0
69.03406	8.3
69.07060	43.2
71.04980	3.8
71.08609	6.1
71.63914	4.6
77.03955	2.9
79.05490	29.0
81.03398	7.9
81.07046	100.0
83.04971	7.4
83.08614	24.1
85.02909	24.7
85.06532	6.5
86.09665	3.3
91.05467	22.5
93.07029	52.7
95.04955	14.9
95.08593	91.1
97.02872	9.6
97.06506	8.7
97.10162	12.3
99.04469	2.8
99.08080	9.4
105.07014	45.3
107.04928	5.3
107.08586	54.2
109.02840	5.0
109.06487	9.9
109.10142	63.2
111.04447	4.6
111.08072	6.2
111.11687	11.4
113.06031	4.6
113.09605	2.9
117.06990	9.8
119.08572	50.3
120.08917	4.3
121.06496	6.1
121.10126	44.6
123.04379	7.3
123.08069	4.4
123.11690	32.1
125.09594	3.4
125.13271	3.8
127.03854	4.8
127.11066	2.6
129.06982	5.1
131.04964	3.5
131.08533	16.0
133.10103	28.1
135.08046	8.3
135.11690	31.0
137.09615	8.9
137.13258	19.2
139.11201	5.3
142.07784	4.8
143.08539	12.2
145.04924	3.8
145.10077	22.7
147.08000	8.0
147.10602	4.3
147.11678	30.3
149.02341	12.9
149.06084	2.7
149.09679	6.1
149.13239	33.1
150.02621	3.4
151.11101	3.4
151.14804	5.1
155.08517	4.4
156.09258	3.2
157.06465	2.7
157.10133	12.2
159.08017	4.4
159.11732	14.5
161.09607	8.7
161.13243	15.0
163.03822	2.8
163.11174	5.7
163.14789	18.4
165.09042	6.2
165.12776	8.5
165.16382	4.2
167.07043	11.4
167.14241	3.0
169.10016	6.2
171.11653	9.9
173.09607	6.6
173.13260	19.3
175.07561	3.9
175.11180	5.8
175.14795	8.8
177.12732	3.5
177.16382	7.1
179.14493	2.8
181.04863	6.1
181.10049	4.2
183.11723	6.9
183.13757	4.4
185.13234	12.1
187.14841	8.1
189.12740	7.2
189.16373	9.4
191.14299	11.9
191.17921	6.8
193.10104	3.3
197.13173	4.7
199.07774	3.2
199.14726	4.4
201.12772	10.5
201.16406	3.9
203.14313	11.0
203.17903	5.7
205.15900	4.2
207.13885	4.1
211.14774	4.0
217.12219	20.5
217.19562	6.6
219.13800	5.8
221.15379	4.5
231.13782	4.6
239.16451	3.8
243.13730	4.2
273.25726	12.3
291.26773	10.5
309.27750	4.4
408.15930	3.5
417.27917	4.2
435.28967	8.3
453.29828	13.2
471.31558	24.6
489.18002	5.4
489.25967	4.5
489.32190	66.9
490.32114	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	489.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66639	2.1
53.03935	4.6
55.01867	5.3
55.05515	25.9
56.96575	3.4
57.03429	4.0
57.07061	11.6
59.04986	4.4
61.02900	2.7
67.05499	37.4
68.39014	2.4
69.03434	18.8
69.06705	3.9
69.07063	41.1
69.88317	9.1
69.88736	6.8
71.04984	7.4
71.08605	6.7
73.02895	3.4
79.05479	28.1
81.03409	7.5
81.07049	98.1
82.07420	3.1
83.04973	8.6
83.08597	22.2
85.02896	29.8
85.06528	8.0
88.47243	2.3
91.05475	34.8
93.07039	59.4
95.04955	16.6
95.08598	100.0
97.02872	7.4
97.06516	10.8
97.10152	9.6
99.04453	3.3
99.08112	6.7
105.07027	48.3
105.07669	1.9
107.04932	4.9
107.08594	58.1
109.06516	11.4
109.10143	57.2
110.45878	2.6
111.08078	8.6
111.11698	8.9
113.06015	3.7
117.06994	9.8
119.08564	49.1
120.08845	3.2
121.06480	7.8
121.10133	45.0
123.04375	3.8
123.08064	7.3
123.11694	35.1
125.09634	6.9
125.13264	3.8
127.03928	7.4
127.11151	2.9
129.06993	7.8
131.08548	24.9
133.06477	6.2
133.10124	29.7
135.08069	8.7
135.11687	30.1
137.05978	9.2
137.09593	10.2
137.13289	14.2
139.03894	4.2
139.07469	3.4
139.11174	7.6
141.07071	2.7
142.07808	3.4
143.08577	14.1
144.09256	2.6
145.04904	3.9
145.06430	6.9
145.10115	27.0
146.10478	2.8
147.04401	3.3
147.08034	10.0
147.11693	33.7
149.02335	22.4
149.09634	6.4
149.13269	22.0
150.02661	11.3
151.07556	4.2
151.14796	6.1
153.09077	3.9
153.12671	4.0
155.08623	4.9
156.09340	3.4
157.10121	16.3
159.07980	3.6
159.11639	19.7
161.09627	9.7
161.13257	20.1
163.11194	9.0
163.14809	16.7
165.05473	3.4
165.09100	9.3
165.12703	10.0
165.16382	4.1
167.07008	7.2
167.10764	3.4
169.10114	5.8
170.10970	4.9
170.33583	2.6
171.11681	13.2
173.09639	3.7
173.13239	21.6
175.07515	3.0
175.11140	7.2
175.14790	11.2
177.12729	7.2
177.16350	8.5
179.14391	3.8
181.04956	6.2
183.11699	7.0
183.13811	5.1
185.09572	5.1
185.13249	14.5
187.11212	6.6
187.14812	13.0
189.09064	4.0
189.12794	8.8
189.16403	6.7
191.14285	6.9
191.17917	7.3
195.11737	4.8
197.13287	4.2
199.11232	3.6
199.14743	6.6
201.12817	12.5
201.16422	3.6
203.10767	2.7
203.14264	8.4
203.17943	6.1
205.12039	3.8
205.15881	9.7
207.13707	6.3
211.14798	4.0
215.14314	3.5
217.12270	16.0
217.15765	2.6
217.19516	4.9
219.13785	7.8
221.15408	5.4
231.13734	4.0
233.15436	3.1
249.14807	4.3
263.12799	4.1
273.25665	15.7
285.18869	3.0
291.26773	11.3
309.27753	4.1
333.16238	3.3
364.16443	2.8
423.28674	4.4
435.29047	5.6
441.29816	3.9
443.35141	8.5
453.29868	9.9
471.31180	23.3
487.94397	3.1
489.17593	5.6
489.24026	6.8
489.32138	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05497	10.7
57.52619	5.5
67.05499	12.6
68.90994	5.3
69.07039	6.6
70.05801	27.6
70.06193	11.5
75.59795	5.7
79.05497	13.7
81.07043	28.9
83.08605	5.9
91.05464	14.4
93.07056	30.2
95.08600	72.2
97.10140	5.8
105.07010	51.3
107.08575	57.8
109.10139	30.1
113.99602	5.7
117.06953	8.5
118.99586	6.2
119.08575	51.2
121.10131	40.8
123.11694	11.0
124.93613	5.5
129.94148	5.2
131.08519	30.6
133.10130	40.2
135.08054	9.4
135.11659	22.5
143.08566	11.4
145.10143	36.1
147.11667	25.9
149.13240	22.5
157.10106	9.7
159.11699	29.0
161.13258	27.9
163.11121	6.9
163.14809	25.9
167.10611	6.7
171.11691	8.8
173.13239	50.8
175.14798	33.9
177.16362	23.4
178.58923	6.0
185.13268	16.1
187.14812	57.3
189.16397	18.5
191.14284	100.0
199.14742	5.9
201.16348	9.4
203.14233	22.4
203.17946	75.5
203.48424	5.8
205.15927	31.2
205.19493	16.4
213.16269	6.9
215.18091	8.1
216.70422	5.9
221.15338	70.8
229.19543	6.1
249.18553	33.1
261.18127	6.0
311.23578	10.7
395.33002	8.3
407.32883	23.3
425.34000	50.3
435.32309	14.1
443.35275	10.2
453.33609	46.6
471.34491	9.8
489.35208	45.4
493.69553	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.9
64.85127	10.7
67.05510	24.0
70.88571	25.2
74.47979	13.2
79.05476	20.7
81.07047	54.4
83.04973	81.2
91.05453	36.6
93.07034	69.4
95.04967	16.2
95.08607	82.4
105.07034	48.2
107.08585	99.0
109.10139	49.1
119.08569	81.8
121.10143	42.1
123.08069	16.3
123.11771	15.0
125.09634	36.8
131.08574	30.6
133.10123	53.4
135.11682	21.2
141.98825	13.1
145.10127	54.4
147.11656	30.0
149.13275	24.1
159.11617	56.8
161.13257	46.1
163.14847	22.9
173.13268	48.8
175.14755	28.1
187.14766	56.3
189.16402	64.4
191.17989	16.5
199.14890	19.9
201.16429	100.0
203.18040	24.5
205.15910	13.0
207.17461	13.6
213.16304	28.4
215.17929	41.0
217.15807	26.8
219.17436	29.0
229.19493	12.7
247.16888	27.5
261.18402	15.6
389.32095	15.1
407.33102	39.0
415.11990	13.3
435.32520	33.7
453.33582	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3567
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
67.05508	27.8
67.84413	11.4
69.07082	16.0
70.87540	35.0
79.05476	20.2
81.07050	56.2
83.04980	89.6
84.65484	12.0
91.05463	29.3
93.07032	55.0
95.08612	79.1
105.07011	60.7
107.08578	95.0
109.10146	49.8
119.08576	87.5
121.10134	49.7
125.09650	34.8
131.08560	26.6
133.10118	53.1
135.11676	30.7
145.09137	13.2
145.10136	56.5
147.11705	41.0
149.13309	15.8
159.11688	55.0
161.13245	35.9
173.13281	34.7
175.14894	27.7
187.14816	39.2
188.91270	13.4
189.16386	38.4
191.17857	16.9
199.14890	21.9
201.16405	58.6
203.17960	20.2
205.15933	29.1
215.18027	39.7
217.15836	23.6
219.17480	23.7
235.17033	14.2
247.16902	40.0
261.18567	23.2
311.23773	17.2
321.88403	12.7
330.98077	15.0
371.29800	18.6
407.33081	53.9
435.32614	34.9
453.33670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05502	8.0
57.34535	1.9
67.05484	13.3
69.07061	10.3
70.89120	7.0
70.89482	2.1
79.05470	8.8
81.07050	35.2
83.08599	5.5
91.05470	13.5
93.07040	25.2
95.04948	4.5
95.08590	54.6
97.06515	5.8
97.10165	3.2
105.07019	34.0
107.08582	43.3
109.06520	10.9
109.10146	25.6
116.06152	2.2
117.07049	2.9
119.08571	55.9
121.06483	5.3
121.10129	29.2
123.08066	6.0
123.11700	8.0
129.07024	3.0
131.08556	20.9
131.55882	2.2
133.10115	38.3
135.08096	4.2
135.11665	13.0
137.09604	4.6
143.08540	5.7
145.10091	28.2
147.11668	26.0
149.09645	2.6
149.13228	19.9
151.11182	2.2
153.42967	2.0
157.10132	8.5
159.11681	20.7
161.09616	2.7
161.13228	23.5
163.11208	3.3
163.14824	27.3
170.10916	2.2
171.11682	8.8
173.13237	22.2
175.11278	2.6
175.14810	29.2
177.12781	2.2
177.16357	21.4
182.34770	1.8
185.13235	7.9
187.14804	31.2
189.12663	2.5
189.16394	19.3
191.14278	36.5
191.17928	8.7
197.13205	2.8
199.14778	7.2
201.16388	11.9
203.14421	11.2
203.17932	100.0
205.15810	15.8
205.19490	3.8
211.14748	2.0
213.16341	10.7
215.17928	9.7
217.19452	5.3
221.15269	19.1
227.17862	3.2
229.19498	2.7
231.17468	4.5
235.16913	4.5
241.19467	3.7
243.21100	2.3
245.22816	2.2
247.16887	2.5
249.18478	23.4
259.24185	2.1
261.18524	2.5
271.24115	6.1
275.92239	2.3
317.24786	2.5
337.28986	5.3
347.27042	2.7
376.31516	2.3
377.31903	8.1
389.32034	7.1
395.33063	7.1
407.33020	22.4
423.32352	5.7
425.34085	82.5
426.34412	6.9
427.31494	2.4
435.32700	10.0
441.33594	5.0
443.35135	12.0
453.33633	22.5
471.34647	11.6
475.23578	2.2
489.35574	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	489.3571
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.05086	2.3
55.05502	7.6
56.38058	1.9
67.05495	9.7
69.07056	8.6
71.06895	5.3
76.86291	2.0
79.05476	7.7
81.07040	13.1
83.08628	3.7
91.05447	14.3
93.07041	22.6
95.08604	22.7
97.06483	2.6
99.08085	9.0
105.07014	27.0
107.08586	35.0
109.10139	13.4
117.07063	3.0
119.08574	50.7
121.10149	26.0
123.11694	6.7
123.66509	3.0
131.08565	24.0
133.10123	33.2
135.08070	3.3
135.11690	18.3
137.09561	2.8
143.08531	3.3
145.10127	30.8
147.11674	54.0
149.02327	3.7
149.13254	9.3
157.10083	4.5
159.11673	25.1
159.68188	2.4
161.13264	12.1
163.11150	6.9
163.14838	7.2
171.11684	4.6
173.13255	12.7
175.14827	13.9
177.12737	3.1
177.16373	16.7
179.14221	2.4
183.11519	2.6
185.13268	6.1
187.14799	49.7
189.16383	23.4
191.17928	2.7
199.14711	5.4
201.16368	100.0
203.14433	2.6
203.17961	5.6
205.15866	77.6
207.17432	14.3
213.16368	9.4
215.17891	5.2
219.17398	20.3
223.16882	6.8
227.17874	4.7
233.18921	2.9
245.18987	2.5
259.20486	3.7
353.28265	5.6
366.68628	2.3
389.32068	4.6
407.33124	38.2
408.33600	2.4
409.34320	3.1
425.34113	25.7
435.33002	2.7
453.33603	24.4
471.34885	3.8
473.14804	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	489.3567
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.05497	2.4
57.03419	1.1
64.67049	0.9
67.05498	5.4
69.07047	3.6
69.96614	1.7
69.97032	2.8
79.05486	4.7
81.07045	10.0
83.04959	0.7
83.08608	3.1
91.05476	5.6
93.07025	8.7
95.04974	1.1
95.08598	13.1
97.10189	1.3
98.21107	1.9
98.98451	2.9
105.07017	9.2
107.08584	13.7
109.06540	1.4
109.10154	8.2
111.08059	1.0
114.03493	0.8
117.07000	2.5
119.08572	11.4
121.06512	1.4
121.10140	11.0
123.08042	2.6
123.11700	4.2
131.08572	5.7
133.10112	10.5
134.10413	0.9
135.08026	1.7
135.11696	5.6
137.09566	1.1
143.08539	1.4
145.10112	8.4
147.11674	9.3
149.09634	2.0
149.13246	5.3
151.11150	1.4
155.01027	2.3
157.10114	2.1
159.11665	6.2
161.13232	3.2
163.11189	1.4
163.14793	5.9
171.11659	2.7
173.13190	4.1
175.14806	3.6
177.16385	4.9
185.13251	1.8
187.14810	12.6
189.16403	4.3
191.14293	1.3
191.17940	1.3
199.14832	1.9
201.16348	13.6
203.14349	1.2
203.17903	6.1
205.15851	17.2
213.16357	1.8
215.17941	1.3
219.17332	2.6
223.16924	5.3
227.17961	1.2
229.19461	1.9
243.21088	1.7
247.16893	5.2
249.18425	1.1
251.16327	1.4
255.20952	4.4
261.22165	1.0
269.22635	2.2
282.98102	0.9
301.21542	2.0
335.25705	4.2
347.25760	4.9
373.27255	3.9
389.31955	1.3
407.33008	4.7
425.34094	6.2
435.32471	2.2
443.35175	100.0
444.35388	2.9
453.33328	3.0
471.24741	1.1
471.34509	3.9
489.35812	7.9
514.72620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.37212	2.2
55.05500	20.5
56.96550	8.4
57.07063	4.6
62.39088	1.8
67.05498	13.9
69.03422	3.0
69.07059	15.6
69.44198	6.0
69.44605	14.7
74.21109	2.4
79.05479	15.8
81.07047	22.3
83.04971	21.8
83.08607	6.6
91.05473	14.3
93.07030	30.3
93.39053	1.9
95.04967	3.6
95.08596	52.5
97.06534	3.0
97.10133	2.9
98.21438	3.8
103.19968	2.2
105.07014	35.5
107.07851	3.1
107.08584	54.6
109.06510	3.4
109.10153	25.1
111.08042	2.6
117.06985	7.5
119.08564	66.4
121.06496	2.5
121.10128	45.2
123.08070	3.9
123.11673	6.5
131.08540	28.0
132.61563	1.9
133.10121	42.4
134.10439	2.3
135.08014	5.5
135.11676	18.3
137.09619	2.8
137.13257	3.0
143.08505	5.3
144.09346	2.9
145.10097	59.5
147.07976	2.5
147.11674	28.9
148.54774	2.0
149.09544	2.6
149.13254	16.2
151.11145	3.1
153.29782	2.6
156.09329	2.5
157.10101	7.3
158.10802	2.9
159.11688	48.1
161.09631	3.2
161.13239	18.4
163.07478	3.4
163.11139	16.2
163.14798	15.2
171.11708	12.0
172.12437	2.9
173.13248	22.9
175.14807	28.0
175.22383	2.4
177.09201	2.8
177.12686	3.5
177.16360	21.7
183.11749	3.8
185.13226	8.9
187.14807	57.8
189.12750	3.5
189.16371	39.1
191.14345	4.3
191.17940	4.6
199.14803	7.5
201.16357	100.0
203.14383	3.4
203.17903	16.4
205.15846	84.9
207.13797	7.2
207.17470	10.0
213.16357	8.8
215.14363	3.4
215.17905	7.2
217.12144	5.1
217.19540	2.7
219.17419	13.8
221.15486	2.3
223.16864	17.3
227.17886	3.3
229.15848	3.0
229.19376	4.5
233.15460	3.0
237.18468	2.9
241.19478	4.9
247.16890	19.8
253.28735	2.2
263.09583	3.6
281.10446	13.1
282.10858	13.4
283.10876	8.6
287.20062	4.2
299.11530	10.8
300.11786	5.8
301.11957	5.9
305.12253	2.5
373.42709	2.3
378.82196	2.3
389.31967	7.4
407.33020	51.5
425.28848	3.5
425.34109	56.7
435.32745	11.5
453.33780	17.2
471.30420	4.0
489.24042	15.1
489.31937	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.77065	0.9
51.98758	0.8
53.03925	1.0
55.01856	1.5
55.05502	13.1
57.03430	4.0
57.07065	2.1
65.03923	1.3
67.05493	46.3
69.07056	11.2
70.88161	2.3
71.04980	2.8
79.05483	20.3
81.07046	26.0
83.04987	1.8
83.08591	6.0
85.06518	1.3
91.05463	19.1
93.07032	26.3
95.04966	3.9
95.08595	21.4
97.06487	2.0
97.10154	3.8
98.21152	1.3
103.05541	0.9
105.07011	20.0
107.08575	16.0
109.06499	1.3
109.10139	23.4
111.08073	2.6
114.41241	0.9
117.06999	8.0
119.08563	26.7
119.32775	1.0
120.41985	1.2
121.10131	13.2
123.08028	1.9
123.11720	1.9
125.09615	2.1
129.07024	4.4
131.08546	13.3
133.10109	15.2
135.08020	1.3
135.11674	7.2
137.09622	1.1
139.11192	1.9
141.06992	0.9
143.08531	5.6
145.10112	11.7
147.11665	11.9
149.13255	3.4
155.08574	2.6
155.10616	0.8
157.10092	5.8
159.11670	12.0
161.13223	6.8
163.11209	1.0
163.14864	1.9
169.10156	2.8
171.11696	4.3
173.11746	4.9
173.13274	6.3
175.14804	3.0
181.10129	1.2
183.11696	2.8
185.13277	5.6
187.14845	3.5
197.13272	2.5
199.14839	4.3
201.16461	2.9
203.17978	1.2
211.14810	1.5
213.14778	3.0
213.16556	1.7
221.15335	1.1
225.16432	1.7
239.18045	1.0
245.19229	1.1
259.20493	1.3
261.22226	2.8
266.56253	1.0
273.22302	1.3
285.22098	1.7
289.21716	1.3
295.23779	1.0
299.23941	1.1
301.21695	1.1
317.24759	1.7
355.26401	0.9
363.25613	1.2
377.26810	1.9
379.29932	6.1
391.28464	1.8
397.31018	13.2
415.32068	3.3
426.34482	1.2
433.33521	1.1
471.34775	12.6
489.35818	100.0
490.36215	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	489.3571
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.69897	2.1
51.23500	2.6
53.03943	3.0
55.01859	3.4
55.05501	15.9
57.07066	5.7
57.10366	2.2
65.43745	2.9
66.21246	2.5
67.05503	20.7
69.03412	4.7
69.07063	25.0
71.04971	5.1
73.30716	2.3
73.51324	2.4
79.05483	16.8
81.03397	7.8
81.07051	34.9
83.08600	10.9
83.43549	2.4
85.02878	6.3
85.06512	4.3
85.96439	3.0
91.05476	21.7
93.07035	38.9
95.04940	12.7
95.08591	43.8
97.02875	5.9
97.06525	7.5
97.10153	7.9
99.08068	14.3
103.03896	2.5
105.07017	51.9
107.04944	4.4
107.08585	60.3
108.08896	2.5
109.06496	8.3
109.10149	29.6
111.08063	6.2
117.06993	8.8
119.08570	80.3
120.08855	3.2
121.06467	8.1
121.10133	41.0
123.08031	8.1
123.11674	14.0
129.06978	5.1
131.08549	38.2
133.10114	51.7
134.10405	3.0
135.08022	10.3
135.11684	29.6
137.09624	4.8
137.13315	3.9
139.03918	4.5
141.07050	2.7
142.07721	2.8
143.08540	12.2
145.10112	52.0
147.08061	5.1
147.11679	77.3
149.05957	3.0
149.09610	6.1
149.13242	15.3
151.11172	6.7
155.08531	3.1
157.10071	14.5
159.11685	40.2
161.05881	3.3
161.09592	8.3
161.13263	19.7
163.03859	4.4
163.11177	9.5
163.14781	9.5
165.09091	6.3
169.10089	6.3
171.11615	15.5
173.09547	2.8
173.13223	21.5
175.11168	6.7
175.14813	21.2
177.12733	6.3
177.16376	23.4
179.14285	3.8
181.04932	2.3
181.10201	2.4
183.11630	7.2
185.13255	9.2
187.11099	3.0
187.14798	55.0
189.12773	6.1
189.16397	19.6
191.14276	7.3
191.17920	4.2
195.13805	4.2
197.13255	3.3
199.14780	12.2
201.12656	5.6
201.16370	100.0
201.18236	5.8
203.14301	9.9
203.17993	7.4
205.15863	71.4
207.17448	16.8
209.13336	3.5
211.14804	3.3
213.12804	3.6
213.16377	8.6
215.14311	6.7
215.17931	6.1
217.15881	3.6
219.13687	4.1
219.17493	17.1
223.16837	4.3
225.16266	2.7
227.17934	4.2
233.15379	3.6
233.18944	4.1
245.18727	3.1
247.17015	3.8
249.18541	4.0
271.16733	2.7
273.25751	3.1
285.10095	8.1
349.23682	4.5
353.28268	5.3
367.17950	4.0
368.18121	4.3
407.33167	38.4
408.33466	3.1
417.27460	3.8
425.34229	35.0
435.28842	3.4
441.32599	5.1
453.33383	19.8
471.26508	4.8
471.31122	8.4
488.72220	3.1
489.17596	3.8
489.32443	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59246	2.3
55.05513	19.6
57.07058	7.7
57.66510	2.8
67.05502	27.9
69.03423	3.4
69.07059	21.4
69.75085	22.0
71.04977	4.5
79.05489	25.1
81.03404	3.2
81.07051	44.0
83.04967	6.9
83.08623	14.6
85.02892	6.8
91.05465	27.8
93.07037	53.7
95.04957	8.6
95.08598	51.4
97.06525	6.8
97.10178	6.2
98.20794	4.1
99.08069	13.4
102.62144	2.9
105.07029	64.7
107.04933	4.1
107.08588	72.5
108.72916	2.4
109.06512	9.3
109.10154	39.0
111.08066	5.0
113.06018	3.1
115.05373	3.0
117.07009	11.4
119.08570	90.7
120.08900	3.9
121.06482	6.9
121.10128	64.4
121.11014	3.8
123.08063	8.6
123.11691	13.4
124.79675	2.6
125.05966	2.9
125.09593	5.8
129.06989	7.5
131.08557	53.2
133.06433	3.7
133.10115	63.5
135.08073	10.3
135.11681	37.1
137.05981	3.5
137.09607	4.0
137.13216	5.2
139.07535	2.7
142.07814	3.4
143.08549	11.6
145.10121	55.8
147.08051	5.5
147.11673	86.5
149.09624	7.0
149.13264	21.4
151.11154	8.9
153.09015	3.9
156.09296	3.2
157.10114	21.3
158.10867	5.6
159.11679	53.6
161.09625	6.5
161.13255	25.6
163.11205	16.1
163.14789	16.4
165.09067	5.0
165.14108	2.9
169.10123	9.9
171.11700	16.0
172.12480	6.1
173.13237	29.5
175.11258	7.0
175.14851	23.1
177.12753	9.6
177.16315	22.5
183.11580	7.0
185.13254	20.2
187.11244	5.1
187.14815	63.6
189.12727	6.3
189.16364	33.9
191.14282	6.9
191.17821	5.0
195.11833	3.7
195.13773	12.4
197.13252	6.3
199.14742	16.9
201.12723	4.2
201.16371	100.0
203.14301	8.6
203.17941	12.3
205.15874	77.1
207.17429	11.9
211.14842	6.4
213.16396	12.7
213.44986	2.9
215.14322	5.1
215.17920	7.6
217.12323	4.0
217.15855	5.4
219.13864	3.8
219.17429	21.1
221.15367	3.5
221.19101	3.9
223.16905	10.2
227.17891	8.8
229.19652	3.3
231.17458	6.0
233.15308	4.8
233.19090	3.8
235.16873	4.8
237.16313	4.6
241.19496	3.8
245.19026	5.5
253.19528	3.7
255.21123	5.6
257.19098	4.1
275.20047	14.1
277.19324	4.1
283.20541	7.3
301.21545	7.9
309.27682	3.3
337.25241	3.9
349.23822	26.7
353.28473	3.4
355.26105	4.2
389.32159	5.4
407.28638	3.5
407.33215	48.6
425.34189	28.9
435.33246	15.3
443.35010	5.2
453.34064	44.7
471.30661	10.5
471.35269	8.7
489.31683	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	489.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03102	2.7
53.03944	3.1
55.05507	26.7
57.07062	7.6
62.25943	3.3
67.05498	24.7
67.47555	3.5
69.03419	11.6
69.07064	22.2
69.60352	2.6
69.74683	7.3
69.75089	20.5
71.04984	4.4
79.05486	23.6
81.03398	4.0
81.07045	58.7
83.04968	10.4
83.08608	18.7
85.02881	9.5
85.06519	5.4
91.05470	37.0
93.07034	50.7
95.04945	12.8
95.08594	70.0
95.83531	3.1
97.02870	6.7
97.06503	9.4
97.10156	6.1
99.08092	18.4
105.07018	64.4
107.04944	5.9
107.08581	78.5
109.02814	3.2
109.06497	14.2
109.10144	64.1
111.08076	6.1
113.05997	5.4
113.09673	3.5
117.06950	8.2
119.08567	100.0
121.06471	7.7
121.10126	66.5
122.10457	3.4
123.08048	12.1
123.11682	19.5
125.05965	7.0
125.09601	7.0
127.03882	5.7
129.06998	7.1
131.08557	45.2
133.04994	5.5
133.06606	3.0
133.10118	79.6
135.08043	8.8
135.11688	44.1
135.63222	3.2
136.12012	4.2
137.05954	6.4
137.09599	15.4
137.13283	7.1
139.11148	3.6
141.06978	3.3
142.07787	7.3
143.08534	14.5
144.09297	4.4
145.10110	54.7
147.07996	7.4
147.11679	78.5
149.05948	3.8
149.09599	14.2
149.13228	24.8
151.07487	4.2
151.11198	7.4
151.14812	3.0
153.09096	3.7
156.09299	7.7
157.10092	30.7
158.10855	3.5
159.11691	56.7
160.12134	4.0
161.09607	10.7
161.13223	33.3
163.07549	3.9
163.11145	16.6
163.14783	24.3
165.09097	52.2
165.12811	6.4
165.60974	3.5
167.07053	6.2
167.10753	5.7
169.10068	6.2
170.10767	4.3
171.11656	32.8
172.12395	5.4
173.09500	3.3
173.13240	41.1
175.11139	10.0
175.14787	24.6
177.12802	16.7
177.16341	18.2
179.10567	5.0
181.04973	3.8
183.11656	14.1
185.13219	34.7
187.11188	5.5
187.14812	62.3
189.12691	7.3
189.16359	26.0
191.10689	4.3
191.14291	17.8
191.17865	5.3
193.15909	4.5
195.11906	6.3
195.13780	20.7
197.13293	7.9
199.14771	23.3
201.12659	5.6
201.16365	85.7
203.14316	11.8
203.17874	16.6
205.15860	69.8
205.19229	3.4
207.17398	14.6
211.14806	7.0
213.12854	4.6
213.16306	21.1
215.14323	5.1
215.17911	9.0
217.12271	5.5
217.15840	7.6
219.13818	4.8
219.17415	13.6
221.15334	6.5
223.14902	5.7
223.16942	8.7
225.16391	8.0
227.17963	9.8
229.15884	7.4
229.19458	5.4
231.17407	8.4
235.16917	7.0
239.17944	3.7
245.15256	4.4
245.19069	6.1
247.16917	3.2
249.18489	5.2
253.19633	4.4
255.21034	4.7
269.22714	4.1
275.20132	4.2
283.20630	7.7
301.21613	7.3
315.23032	4.1
327.08585	9.2
337.25143	4.4
355.26273	7.8
379.26208	3.2
389.32126	6.9
405.27960	5.9
407.28641	4.1
407.33200	53.4
418.96274	4.0
425.34290	34.6
435.33008	26.4
441.30099	4.4
443.30807	5.6
443.35843	5.8
453.33875	53.8
471.30771	15.3
471.34842	12.1
489.11011	4.9
489.23303	10.1
489.31998	48.0
489.80008	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	490.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	0.5
69.88814	0.4
69.89155	3.3
71.04971	0.9
71.07842	0.5
83.27405	0.5
83.84827	0.5
84.04489	0.7
85.02896	2.4
98.21185	1.5
99.04472	0.6
104.79072	0.5
129.05260	0.5
144.53960	0.4
146.08122	1.7
153.01758	1.2
163.03876	1.5
164.09254	0.6
197.06004	1.8
200.04732	0.8
215.06987	1.6
225.05400	3.1
243.06410	2.4
253.04903	8.7
271.06097	1.2
272.54581	0.6
281.01309	0.8
281.04395	13.6
282.05139	2.2
284.02957	0.6
299.05322	2.4
303.04764	1.0
309.03888	3.3
310.04688	1.1
316.08154	1.1
324.61221	0.6
327.04959	100.0
328.05255	2.4
329.06433	0.8
344.07611	46.3
345.08130	0.7
367.48206	0.6
472.12296	0.5
490.13116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.79841	0.5
55.01871	0.8
55.05510	1.9
57.03430	10.3
58.59412	0.5
59.05012	0.7
60.04512	0.8
61.02928	1.5
67.05485	0.5
69.03420	3.0
69.74078	1.0
69.74491	2.0
70.06567	0.9
71.01339	0.6
71.04984	75.6
72.08178	0.5
73.02909	2.1
75.04469	5.2
81.03404	1.3
81.07054	1.1
81.92007	0.5
83.04970	6.5
84.04510	0.7
85.02895	100.0
86.06060	0.7
86.09731	0.8
87.04446	2.8
91.05475	2.7
92.05821	0.6
93.07040	1.5
95.04964	0.5
95.08571	1.0
97.02871	4.0
98.20697	0.5
98.21268	1.4
99.04454	1.9
99.08024	0.5
103.03928	1.0
105.07034	2.7
107.04906	0.5
107.08565	1.0
109.02855	1.6
109.06519	0.7
109.10170	1.2
111.04436	2.6
116.70826	0.5
119.08595	0.8
120.08080	0.5
121.10136	0.6
123.04377	0.7
123.08058	2.5
124.05177	2.2
127.03888	3.9
129.05461	41.0
131.08598	0.9
133.06448	1.7
133.10095	0.6
137.05963	4.6
145.04945	4.0
145.06549	0.6
146.08089	1.0
147.04497	0.9
147.06496	20.7
147.11652	0.5
149.02271	1.0
149.09583	0.5
151.07550	0.6
153.05341	0.5
157.32028	0.5
162.07539	1.0
163.06061	0.9
164.09169	6.0
165.09082	9.8
167.06982	1.8
171.06564	0.5
175.07552	0.5
180.08589	1.4
189.09091	1.0
191.14310	0.6
225.14845	0.7
231.09926	1.1
237.07484	0.7
255.08551	1.6
273.09521	0.8
309.11523	0.7
322.48654	0.6
472.30725	0.6
490.26874	3.0
490.32794	1.0
491.19180	1.1
510.68558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
55.05506	7.9
57.03424	3.9
57.07066	1.0
57.28893	0.9
59.06672	0.8
62.06090	9.1
65.03929	1.1
65.44461	0.8
67.05493	13.2
69.03404	2.7
69.07066	7.3
71.04977	1.8
71.61611	1.9
79.05486	11.2
81.03405	1.4
81.07049	17.2
83.04956	4.5
83.08611	3.9
91.05469	13.5
93.07032	17.8
94.07339	1.0
95.04962	5.1
95.08592	12.3
97.06520	3.0
97.10184	1.5
98.98454	16.6
105.07018	14.6
107.04942	4.2
107.08593	12.1
108.08900	0.9
109.06510	6.8
109.10154	5.7
111.08096	1.0
115.05428	1.1
117.07036	5.3
119.08560	12.1
120.08908	1.8
121.06481	6.8
121.10130	8.1
123.08042	4.7
123.11703	1.7
125.09609	2.0
127.07520	0.9
129.07002	3.0
130.05013	1.0
131.08543	12.9
132.08844	1.1
132.31621	1.1
133.06482	1.4
133.10110	12.1
134.10393	2.2
135.08022	3.7
135.11656	4.3
136.08423	0.9
139.07437	1.0
141.06911	1.0
142.02608	1.2
143.08568	3.1
145.06433	1.9
145.10094	11.1
146.10535	1.4
147.08009	2.9
147.11658	9.1
149.09584	6.0
149.13229	3.3
151.11215	2.8
155.01041	2.4
155.08562	2.6
157.10124	3.9
159.08055	1.3
159.11653	8.7
161.09616	2.6
161.13228	3.5
163.11172	5.0
163.14819	1.6
167.10812	1.0
169.10088	1.7
171.11676	2.4
173.02090	2.3
173.09660	1.2
173.13228	6.4
175.11191	3.2
175.14835	2.0
177.12633	1.9
183.11665	2.0
185.13281	1.3
186.13562	1.4
187.11229	1.7
187.14796	1.8
189.12714	1.6
191.14282	3.1
197.13237	2.2
201.12764	2.8
201.16306	1.2
203.14420	1.1
205.15804	1.6
207.13805	3.2
211.14819	1.1
213.16261	1.1
215.14330	1.7
215.17973	2.2
219.13739	2.8
220.14157	1.1
229.19504	2.7
239.17958	3.9
244.17911	0.9
247.20593	4.3
253.62886	1.1
257.18982	9.0
275.20026	69.2
276.20294	1.8
293.21078	10.1
318.24289	2.6
349.23679	100.0
350.24142	2.9
411.19226	1.2
424.29291	1.1
429.20319	77.7
430.20450	1.0
436.29242	1.5
447.21335	17.6
454.30316	3.3
472.24609	7.1
472.31134	3.6
477.02048	1.1
490.25528	15.9
490.32410	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	490.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64662	0.4
52.03782	0.4
53.03928	0.5
55.01861	1.8
55.05503	4.3
55.67024	0.4
56.94144	0.3
57.03182	0.4
57.03429	4.0
57.07055	0.9
62.86299	0.4
67.05495	11.1
69.03413	1.3
69.06711	0.6
69.07060	7.1
69.42870	3.9
71.04974	1.3
79.05050	0.6
79.05482	7.4
81.03433	0.5
81.06570	0.7
81.07047	13.1
83.04968	3.7
83.08591	2.4
85.02882	0.6
85.06552	0.6
91.05468	8.9
93.07031	13.3
95.04960	3.4
95.08592	8.6
97.06509	1.9
97.10153	1.5
98.98473	0.9
105.07014	11.9
107.04930	2.9
107.08583	8.2
109.06511	5.6
109.10142	4.6
111.08060	1.1
115.05459	0.6
117.07022	3.2
119.08564	7.4
121.06485	5.9
121.10117	4.9
123.08035	2.7
123.11677	1.3
125.05968	0.4
125.09588	0.6
129.06970	1.4
131.08548	7.1
133.06488	1.1
133.10115	8.7
133.78009	0.4
135.08049	3.1
135.11707	3.3
137.09587	1.5
137.13231	0.6
143.08521	2.1
145.06473	0.8
145.10101	7.4
147.04395	0.6
147.08037	2.1
147.11659	5.9
149.09605	2.7
149.13232	2.5
151.11151	2.1
155.08525	1.2
157.10146	2.0
159.08046	1.4
159.11691	4.4
161.09601	1.9
161.13225	1.4
163.03876	0.6
163.11176	3.4
163.14787	0.6
165.12721	0.5
169.10164	0.6
171.11662	1.4
173.09546	1.2
173.13239	3.3
175.11163	1.5
175.14737	0.5
177.12752	1.4
183.11641	2.0
185.13266	0.8
187.11165	1.3
187.14745	1.0
189.12688	0.6
189.16261	0.6
191.12750	0.4
191.14232	1.9
193.12369	0.6
197.13193	0.9
199.14711	0.6
201.12727	1.7
201.16415	0.5
205.15884	0.6
207.13800	1.9
215.14305	1.0
215.17926	1.1
219.13782	1.4
219.17268	0.4
219.21071	0.5
229.19597	1.4
231.17448	0.5
237.07605	0.4
239.17950	1.1
247.20589	1.4
257.18942	5.5
275.20023	39.4
276.20294	0.6
280.05823	0.5
293.21075	7.2
318.24283	0.5
349.23682	100.0
350.24017	3.7
429.20215	1.2
454.29785	0.5
472.24976	0.7
472.31146	0.7
490.25647	1.4
490.32645	1.3
491.18866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46638	0.4
53.03935	1.4
55.05301	0.6
55.05510	6.8
55.45010	0.4
56.05031	0.6
57.03187	0.5
57.03432	6.9
57.07045	0.9
58.06594	22.4
65.03944	1.1
67.05498	26.0
69.07057	7.7
71.04995	0.7
71.62015	0.6
74.37280	0.4
79.05482	14.8
81.07050	22.7
82.07373	0.5
82.38366	0.5
83.04530	0.5
83.04955	2.2
83.08598	2.7
85.06519	0.8
91.05468	8.0
93.06456	0.9
93.07034	15.3
93.07618	0.9
94.07333	0.6
95.04964	1.8
95.08596	19.7
96.08925	1.0
97.06527	1.0
97.10151	1.3
99.04459	0.4
99.08079	0.5
104.69876	0.4
105.07011	5.2
106.07345	0.8
107.08585	9.7
108.08913	0.8
109.10146	8.4
110.10455	0.6
117.06996	1.6
119.08564	5.6
120.08924	0.5
121.10130	7.6
122.10447	1.0
123.08092	0.7
123.11699	2.2
125.09640	0.7
131.08562	2.8
132.08849	0.6
133.10130	3.6
134.10480	0.6
135.11682	3.5
137.09581	0.6
137.13193	0.5
143.08629	0.6
145.10091	2.3
146.10394	0.9
147.11664	2.6
148.12009	1.1
149.13234	2.1
150.13594	0.6
151.11195	0.5
156.04175	4.7
159.11703	2.0
161.13229	1.9
162.13670	0.5
163.14798	1.1
171.11684	0.4
173.13220	1.0
175.14769	0.9
176.15027	0.5
177.16379	0.9
178.83089	0.5
185.13123	0.4
187.14803	2.0
188.15111	1.2
189.16383	1.0
190.16714	0.6
191.14485	0.5
192.18262	0.4
199.14723	0.6
201.16336	1.7
202.16663	1.1
205.15837	2.7
206.16208	3.3
215.17932	0.6
216.18286	0.7
223.16914	0.6
230.07922	0.5
261.22079	0.9
335.25760	100.0
336.26108	1.3
408.33472	1.3
426.34329	1.0
443.35410	0.7
444.35526	16.5
454.33829	1.3
472.35464	1.1
490.31003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.7
57.03413	1.9
57.07064	2.1
57.29735	1.3
58.18524	1.4
58.64881	1.3
59.91120	1.2
60.47410	1.4
63.38913	1.4
67.05505	8.5
67.05810	1.5
69.07056	8.9
72.27288	1.3
75.94940	1.3
78.81582	1.5
79.05486	7.3
81.07051	19.5
83.08597	5.0
84.98386	1.2
91.05479	6.0
93.07030	12.2
95.04962	2.1
95.08594	32.3
97.10133	2.7
98.21108	8.4
98.98428	1.6
99.08060	1.7
102.95714	1.5
105.07021	12.2
107.07867	1.5
107.08585	25.2
109.06522	1.6
109.10155	16.5
117.07008	2.2
119.08565	23.8
121.09315	1.9
121.10135	25.2
123.11687	4.8
131.08554	4.8
133.10115	24.3
135.08063	1.9
135.11688	14.4
145.10121	11.3
147.11682	19.9
149.09607	2.4
149.13213	11.6
153.09059	3.5
155.01064	2.0
159.11699	9.9
161.13242	13.0
163.11145	11.7
163.14809	12.6
173.13237	5.0
175.14825	14.0
177.12683	1.4
177.16374	24.7
179.14319	3.8
185.13231	2.7
187.14801	17.9
189.16353	52.6
190.16794	1.9
191.17949	9.5
199.14690	1.9
201.16339	9.3
203.17937	66.2
204.24005	1.3
205.15855	63.6
205.19347	3.0
206.16127	2.3
207.17424	31.7
213.16278	3.4
215.17937	4.2
217.19604	2.0
219.17445	3.2
223.16856	2.6
227.17876	1.4
229.19424	2.2
231.17532	2.9
231.21075	1.8
235.16887	2.2
245.19020	2.5
247.16911	2.6
249.18507	16.8
337.27209	2.6
371.71329	1.5
391.33429	7.3
409.34604	100.0
410.34961	3.0
427.35599	7.7
437.34082	32.3
444.35596	3.8
455.35141	21.8
473.35892	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.4
57.07064	2.3
61.42978	1.7
67.05508	7.1
69.07070	10.9
69.66253	1.3
70.23940	3.5
70.24328	4.0
74.65993	1.3
79.05500	8.6
79.05888	1.4
81.07059	18.3
83.04976	1.9
83.08609	6.0
84.21716	1.3
91.05475	5.5
93.07043	16.4
95.04917	1.9
95.08608	37.5
97.10178	3.2
105.07018	15.9
107.08585	35.8
109.10153	25.2
110.89719	1.6
117.06984	1.8
119.08570	39.5
121.10137	30.0
122.10467	1.7
123.11711	6.0
131.08577	3.9
133.09175	1.2
133.10127	30.9
135.08064	2.3
135.11684	13.3
145.10089	25.0
147.11700	21.7
149.09598	2.4
149.13228	16.3
153.09093	3.3
157.10143	2.3
159.11684	38.1
161.13264	19.6
161.72968	1.4
163.11186	9.3
163.14804	16.8
167.10692	2.8
171.11778	2.3
171.29698	1.8
173.13255	5.9
175.14804	13.9
177.12697	2.0
177.16400	23.0
179.14221	1.8
185.13159	1.6
187.14810	45.6
188.15083	2.9
189.16377	59.7
191.18007	7.0
201.16409	9.8
203.17941	100.0
204.18336	3.0
205.15874	48.0
205.19522	7.7
206.16319	1.8
207.17435	7.9
213.16360	8.5
215.17998	3.8
217.19513	2.8
219.17406	2.7
219.21190	1.9
223.16934	7.6
227.18004	3.3
229.19539	2.7
231.17516	2.0
231.20985	1.7
235.16928	4.4
241.19452	2.0
249.18488	18.9
277.13721	2.8
391.33472	15.4
409.34625	74.1
410.34900	2.8
411.36124	2.5
427.35703	8.3
437.34152	73.5
438.34387	4.5
444.36172	2.1
455.35184	58.2
456.35724	4.3
473.36444	14.9
491.29572	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02367	2.0
53.03932	9.7
55.01863	4.3
55.05503	32.5
55.44802	1.8
57.03430	12.7
57.07066	3.2
59.04997	2.3
59.23577	2.0
59.74793	1.6
65.03928	4.7
67.05494	65.6
69.03412	3.4
69.07059	14.6
69.48950	16.3
71.04976	6.1
79.05480	84.3
81.03412	56.7
81.07044	63.3
81.07510	3.9
83.04979	21.0
83.08602	22.3
85.02895	13.6
85.06547	3.7
91.05469	100.0
93.07034	66.9
95.04950	41.5
95.08592	30.3
95.09151	2.9
97.02876	3.2
97.06524	6.9
97.10140	11.6
98.21455	3.9
103.05473	1.6
104.27449	1.6
105.07017	72.0
107.04922	11.3
107.08578	21.8
109.06509	9.7
109.10139	8.9
111.08064	7.1
115.05446	4.7
117.07011	20.4
119.08559	39.3
121.06498	4.8
121.10131	9.6
123.08054	6.0
123.11666	10.2
125.09602	5.8
128.06192	4.2
129.06982	30.1
131.08548	18.6
133.06467	3.9
133.10107	20.6
135.08032	3.0
135.11649	2.8
137.09602	2.4
141.06949	2.5
142.07771	4.2
143.08553	13.9
145.06506	2.5
145.10095	13.6
147.08040	6.4
147.11642	34.7
149.09598	5.1
149.13231	2.0
155.08594	4.3
157.06432	2.2
157.10123	12.6
159.11684	3.6
161.09636	2.6
161.13190	9.6
165.09114	2.2
165.12735	2.2
169.10101	2.2
171.08032	3.8
171.11670	25.3
175.11160	10.4
181.10078	2.0
183.11562	1.9
185.13222	3.9
187.13284	6.8
187.14828	2.3
189.11276	3.6
189.12723	12.5
193.12186	27.9
195.11641	2.8
201.16446	2.2
207.13754	29.4
211.13246	29.9
211.15178	1.9
225.14810	4.0
227.12732	3.9
229.15746	2.2
229.57060	2.0
231.13760	3.6
243.15886	6.4
249.14970	6.8
267.15839	28.0
277.18079	2.4
281.17410	42.2
305.17346	5.5
335.23608	1.8
353.24719	2.9
363.22971	2.0
381.24478	4.7
399.25256	7.1
445.29773	2.6
455.28049	2.8
473.28934	66.2
491.23477	2.4
491.29861	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	491.2998
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03930	7.8
55.01878	7.1
55.05503	33.6
57.03419	12.9
65.03920	5.8
67.05167	6.1
67.05495	69.3
69.03413	6.2
69.07071	19.4
69.80697	3.2
70.59644	11.3
71.04969	9.9
76.30634	3.3
77.03893	2.9
79.05051	6.0
79.05483	83.8
80.13506	2.8
81.03413	56.6
81.07048	76.8
83.04967	21.6
83.08609	30.5
85.02885	10.5
85.06541	4.5
89.62852	2.9
91.05473	100.0
93.07032	60.6
94.25452	2.9
95.04961	40.5
95.08590	44.5
97.06507	12.0
97.10140	14.5
99.08070	13.6
105.04488	3.5
105.06370	5.5
105.07017	63.1
107.04924	11.0
107.08582	35.6
109.06489	13.3
109.10155	15.7
111.08057	10.0
115.05456	3.8
117.06448	2.3
117.07020	23.4
119.04916	3.3
119.08559	43.3
121.06454	8.1
121.10120	24.3
123.08038	11.2
123.11681	18.9
125.09609	9.5
127.07556	6.7
128.06203	5.9
129.06995	24.0
131.08543	22.7
133.06532	3.5
133.10107	25.5
135.08031	8.0
135.11642	8.2
137.09573	5.2
141.06923	3.2
142.07718	4.1
143.08536	19.6
145.06436	4.0
145.10123	25.0
147.08064	4.4
147.11670	38.5
149.09613	8.9
151.11168	6.8
155.08459	3.9
157.10124	13.6
159.11662	7.7
161.09618	5.9
161.13203	15.6
163.11142	6.1
165.12698	4.8
171.11661	28.1
173.13228	5.8
175.11160	12.7
175.14812	3.5
176.15169	2.9
177.12732	3.7
183.11652	3.9
185.13210	9.4
187.13223	7.4
187.14793	7.7
189.11195	6.3
189.12752	13.0
193.12196	24.9
195.11653	3.6
203.14288	6.2
205.15800	5.7
207.11984	5.4
207.13728	24.9
211.13249	15.8
219.13858	4.4
225.14755	3.9
227.12793	9.3
243.15919	5.6
249.14854	16.1
259.61087	3.3
267.15875	41.8
276.04019	3.3
276.20282	4.7
277.18250	2.9
281.17474	37.8
283.16339	3.1
305.17371	4.6
316.85587	3.7
350.24048	5.0
363.22971	6.0
381.24417	5.8
399.25266	9.8
421.25647	3.0
455.27359	4.1
473.28754	95.7
491.29926	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	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01858	2.8
55.05507	9.5
57.03426	1.8
57.07064	1.5
59.04995	0.8
59.50582	0.6
60.35640	0.6
62.35666	0.6
67.05499	17.1
69.03423	1.1
69.07060	7.1
69.49509	4.5
71.04987	4.9
74.03040	0.6
79.05482	13.4
81.03416	2.6
81.07049	21.5
83.04998	3.9
83.08604	5.1
85.02888	1.3
85.06521	2.0
91.05466	9.7
93.07037	16.9
95.04965	6.9
95.08599	13.2
97.06530	2.7
97.10164	6.5
99.04443	0.8
99.08070	1.2
103.05458	1.3
105.07018	9.1
107.04263	1.2
107.04942	12.8
107.08582	9.4
109.06516	7.2
109.10143	13.0
111.04486	0.7
111.08085	1.6
111.11671	1.1
115.05449	0.7
117.07020	4.8
119.08565	9.6
121.06491	10.0
121.10133	9.5
122.07259	1.6
123.04389	1.8
123.08035	2.7
123.11700	8.8
125.05981	0.8
125.09599	4.6
127.11155	0.8
129.07024	2.7
131.04913	1.4
131.08539	8.0
133.06462	2.1
133.10124	4.5
134.03580	0.9
135.08028	3.8
135.11687	1.8
137.05943	1.6
137.08627	1.1
137.09605	13.2
137.13231	1.6
139.07498	0.8
139.11189	1.4
141.07004	1.7
142.07666	0.9
143.08556	2.7
145.06445	3.3
145.10123	5.7
147.04434	1.0
147.08087	3.3
147.11661	2.6
149.09583	3.3
149.13239	2.1
151.07516	1.1
153.09131	1.0
153.12688	0.9
155.08540	2.0
155.10683	1.2
157.06462	1.2
157.10126	2.0
159.08069	1.8
159.11679	2.7
161.05981	0.8
161.09625	2.7
161.13254	1.8
163.11140	1.8
163.14836	1.2
165.09096	100.0
167.10683	1.8
169.10110	2.2
171.08040	0.9
171.10164	0.7
171.11691	2.1
173.09634	1.3
173.13226	3.7
175.07567	1.6
175.11156	2.2
175.14824	1.4
177.09157	1.3
177.12788	1.0
177.16342	1.0
179.18005	0.8
180.23433	0.6
181.12196	0.7
183.10176	0.6
183.11740	1.0
185.13188	1.8
187.11163	1.2
187.14813	1.4
189.09416	0.6
189.11197	2.1
189.12766	1.6
191.14357	3.1
193.12119	1.3
195.11742	1.0
197.09605	0.8
197.13281	1.0
199.11218	1.0
199.13266	2.0
201.11124	1.5
201.12778	1.2
201.16380	0.9
203.14258	1.8
205.12241	0.6
205.15875	1.0
207.13736	0.9
209.13339	0.8
209.15263	0.8
213.12589	1.1
215.14304	1.7
219.13812	4.3
221.15318	1.1
225.12827	0.6
233.15396	1.6
237.12733	0.8
249.14816	2.3
255.13667	0.7
257.15411	0.9
267.13791	0.8
271.16843	0.6
273.14804	2.4
275.16394	2.5
275.27448	0.8
281.28439	0.8
293.17749	0.6
293.28339	1.1
305.17484	0.6
321.24136	0.9
339.25415	1.1
349.21552	2.9
350.24030	2.7
365.20932	0.7
367.22580	7.9
385.23697	10.7
399.21381	0.7
403.24701	2.6
404.63730	0.7
405.23965	0.7
417.26074	0.8
441.26166	1.8
455.31573	1.3
459.27362	31.8
473.32437	3.0
491.18024	1.3
491.29858	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	491.3362
Annotation	Phlomisin
Peak:m/z	Relative Intensity
51.62346	3.0
55.05504	19.2
57.03430	4.8
65.03907	4.9
67.05500	25.9
69.07072	16.3
71.37139	5.9
71.37458	3.3
79.05485	28.6
81.03388	5.2
81.07043	43.5
83.04967	6.1
83.08616	12.8
91.05460	28.2
93.07032	43.4
93.66147	2.8
95.04948	11.8
95.08595	45.7
97.06493	6.9
97.10182	7.0
105.07014	32.0
106.07298	3.6
107.04917	5.5
107.08580	47.2
109.06499	8.3
109.10152	34.4
111.08060	8.6
117.06986	13.8
119.08556	43.9
121.06499	8.1
121.10154	22.6
123.08028	8.6
123.11673	7.3
125.05964	3.5
125.09624	6.8
129.06973	11.0
131.08577	22.7
133.06439	3.4
133.10123	27.8
135.08040	10.5
135.11639	18.0
137.09602	5.7
139.03929	3.4
142.07756	5.4
143.08542	11.7
143.39574	3.6
145.10112	23.1
147.08038	9.9
147.11682	19.2
149.09581	7.1
149.13226	9.9
155.08488	4.3
155.83566	3.4
157.10152	19.7
157.11240	4.3
159.07945	4.3
159.11702	27.4
161.09572	9.4
161.13231	13.9
163.11122	9.4
163.14819	6.5
165.09102	8.2
169.10179	6.2
171.11703	12.9
173.11943	3.5
173.13220	24.0
175.14842	17.5
177.12682	6.7
177.16347	3.7
185.13191	14.1
187.11076	6.5
187.14784	12.6
189.12784	17.0
189.16396	4.2
191.14310	4.2
193.12215	5.8
197.13211	3.4
201.12708	7.0
201.16351	7.1
203.14261	24.8
205.16072	4.8
207.11755	4.0
207.13710	6.8
209.13240	5.7
211.14848	5.4
212.76543	3.0
213.12776	3.0
215.14265	4.3
217.04692	3.9
217.15767	6.8
219.13860	17.6
221.15364	12.6
227.12711	7.4
229.15833	5.3
235.16914	11.0
236.64696	3.4
249.22406	3.9
294.21310	5.0
407.29395	5.6
419.29236	9.7
425.30481	100.0
437.30573	20.7
455.31610	43.9
466.33319	5.2
473.33569	24.6
491.19907	4.3
491.26306	6.5
491.34021	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	491.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01851	3.3
55.05510	19.4
57.03431	3.6
57.07071	11.0
62.97552	1.4
66.45768	1.3
67.05166	2.4
67.05499	32.2
69.03410	4.8
69.07061	51.7
70.28680	1.5
70.98740	1.2
71.04984	3.1
71.08566	4.6
78.72820	1.5
79.05484	12.0
81.03418	6.3
81.07050	100.0
83.04989	1.9
83.08614	33.1
85.02904	8.9
85.06538	15.1
85.10159	2.1
91.05473	9.0
93.07036	23.0
93.66310	1.3
95.04943	3.7
95.08598	97.5
97.02843	2.8
97.06532	2.7
97.10162	21.3
99.08067	9.4
105.07014	8.3
107.04933	3.9
107.08580	21.3
109.02904	1.9
109.06518	6.1
109.10144	59.8
111.04355	1.4
111.08099	3.1
111.11693	18.5
113.09613	3.8
117.06986	3.3
119.08537	7.2
121.06496	4.0
121.10120	11.9
123.04388	2.0
123.11707	32.9
125.09634	2.4
125.13254	8.8
127.03860	1.9
127.11153	3.3
129.06940	2.4
129.12729	2.1
131.08554	4.6
133.10133	5.5
134.05846	1.4
135.04436	1.6
135.08087	3.2
135.11662	11.4
137.09637	2.0
137.13261	15.8
139.11157	1.5
139.14824	2.9
143.14302	3.8
145.04941	1.7
145.06497	1.8
145.10126	5.5
147.08044	1.8
147.11624	3.3
149.09650	2.4
149.13232	18.1
151.14812	22.1
153.12704	3.5
155.14279	1.9
157.10098	3.3
159.11720	3.8
161.09540	1.6
161.13196	2.2
163.03938	2.0
163.11223	1.6
163.14851	9.6
165.16386	10.1
167.07027	2.2
169.15823	2.8
173.13242	3.0
173.15254	1.7
175.07599	1.7
177.00676	1.5
177.12759	1.8
177.16348	2.1
179.17943	5.0
185.13281	2.3
187.14780	1.6
191.17899	3.3
193.19496	2.8
199.03864	1.4
201.12746	2.7
203.14236	1.8
205.19569	3.0
206.31241	1.5
207.21082	2.0
211.20473	1.5
219.13850	2.0
219.21181	3.1
237.21974	1.6
249.26114	1.4
263.27161	2.1
275.27228	9.4
281.28418	3.3
293.28412	18.3
311.29419	11.2
330.44061	1.4
337.14240	2.0
367.22394	1.8
384.22595	1.3
385.23959	2.9
401.13190	1.3
401.30527	2.5
419.31171	1.3
455.31418	2.5
459.27686	7.1
473.32602	4.4
491.19879	7.0
491.30701	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
54.72142	1.8
55.01858	3.5
55.05497	26.3
55.50896	2.0
57.03425	4.5
57.07064	17.3
59.04971	2.3
59.29717	1.9
67.05167	2.6
67.05500	33.9
69.03400	3.4
69.07059	62.2
69.07440	3.0
69.46263	14.2
70.95501	1.6
71.04975	2.6
71.08636	9.2
72.31174	1.8
72.38873	1.8
79.05468	16.0
81.03397	3.9
81.07047	98.5
83.04974	2.4
83.08605	35.4
85.02893	10.2
85.06533	12.2
85.10209	2.9
91.05476	12.7
93.07025	28.2
95.04941	5.7
95.08592	100.0
96.40652	2.0
97.06507	5.4
97.10150	23.0
99.08076	17.6
103.05415	2.0
105.07004	11.0
107.04945	2.3
107.08579	28.9
109.02863	2.8
109.06525	4.5
109.10139	68.2
111.08080	4.4
111.11694	19.5
113.09617	3.3
117.07025	2.5
117.33275	1.9
119.08537	11.4
121.06517	3.0
121.10126	18.6
123.04412	3.5
123.08045	3.8
123.11682	42.3
125.09621	5.3
125.13228	8.4
127.07579	2.6
127.11195	6.9
129.06976	2.6
131.08549	5.4
133.10109	5.9
135.08083	3.1
135.11664	14.9
137.13242	25.1
139.07581	2.1
139.11133	2.7
139.14772	3.9
141.12686	2.0
143.08542	3.2
143.14297	2.1
144.09241	1.9
145.10110	5.6
147.11662	6.9
149.13229	28.8
151.14801	23.7
153.05389	2.3
153.09067	2.2
153.12697	2.9
155.14255	3.6
157.10135	4.8
159.11658	4.8
161.09659	2.5
161.13217	2.9
163.03871	2.1
163.11113	2.7
163.14795	9.5
165.09050	4.4
165.16365	7.5
167.14360	4.7
168.09235	2.0
169.15877	3.4
173.13184	5.4
175.14847	3.2
177.16354	4.4
179.10657	2.0
179.17908	5.6
187.14876	4.0
193.08519	2.2
199.14879	3.1
201.12712	2.3
201.16386	2.6
203.14287	3.3
205.12239	2.4
205.19434	2.5
219.21063	3.3
220.95528	1.8
223.20615	2.5
275.27420	14.1
281.28433	10.3
293.28348	24.7
311.29474	8.9
437.30353	3.2
455.31870	3.9
473.32828	10.6
491.18912	7.1
491.26126	5.2
491.33246	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	492.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	4.8
57.95946	1.2
70.13873	4.2
70.14278	2.6
71.04983	32.9
72.05304	1.3
73.02906	1.4
75.04468	2.0
75.83273	1.3
81.03419	1.5
83.04935	1.2
85.02893	32.3
86.63905	1.2
91.05504	1.5
93.23093	1.3
103.05473	3.4
104.74755	1.3
109.10156	1.5
111.04420	2.6
118.06545	2.3
119.04946	2.1
121.06534	2.7
123.04412	2.3
127.03834	1.6
129.05486	5.4
135.04410	3.9
137.02313	28.7
137.03377	2.1
137.05925	3.7
146.05954	2.0
147.04428	3.0
147.06535	1.9
149.05974	3.5
153.01794	12.9
163.03900	15.3
164.07039	15.8
166.08640	8.4
192.06528	24.2
194.08148	4.4
210.07619	2.4
214.73972	1.2
221.04369	1.6
227.07011	1.6
237.05467	4.8
243.06544	1.8
244.06075	2.1
255.06546	5.5
257.04376	2.6
265.04987	6.2
272.06763	3.5
273.07581	13.2
283.05975	30.0
285.07455	1.6
287.05487	1.7
293.04437	2.4
300.08646	2.0
301.06888	1.3
303.04962	20.6
304.05338	2.3
305.05615	2.2
311.05441	71.5
312.06042	3.1
328.08154	16.9
329.02917	6.6
329.06464	70.3
346.09186	100.0
347.09525	1.7
474.13089	1.3
492.29559	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	492.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01856	0.8
55.05503	1.1
57.03438	4.1
59.04989	0.6
60.84902	0.5
61.02901	1.8
67.05476	1.0
69.03425	4.5
70.75465	1.1
71.04984	13.7
73.02921	3.2
79.05476	0.9
81.03391	1.5
81.07041	1.4
83.04967	1.0
85.02894	28.7
86.09708	0.6
87.04439	1.0
88.81908	0.5
91.03976	0.7
91.05476	1.9
93.07008	1.1
95.04927	1.8
95.08592	1.2
97.02863	4.5
99.04467	1.0
105.07011	3.3
107.04939	1.1
107.08544	0.9
109.02849	2.2
111.04414	0.7
115.03887	0.7
115.05396	0.6
117.03384	1.6
119.08555	1.5
121.06498	1.0
121.10120	0.9
123.04428	0.9
123.08069	5.3
127.03913	5.1
129.05481	3.2
131.04900	1.3
131.08553	1.4
133.02869	0.7
133.06546	0.8
133.10118	2.4
135.04462	0.7
135.08035	1.2
136.25848	0.6
137.05965	9.1
138.06729	0.8
139.03862	1.9
145.04941	8.5
147.04413	1.7
147.11670	0.8
149.02231	0.7
149.05957	1.1
150.06732	1.0
151.03932	0.9
151.07544	1.1
151.11177	10.9
153.01819	2.3
153.05452	2.4
153.06622	0.6
161.05956	8.7
161.09607	2.2
162.06735	3.2
163.03877	1.0
163.05994	2.6
163.07541	1.6
165.01831	1.1
165.07031	1.9
167.07133	1.2
167.08569	1.5
174.06757	1.1
175.07596	1.2
177.09116	1.4
178.07768	1.9
179.08594	1.2
181.04996	1.0
181.06416	1.3
187.07542	0.6
189.09123	3.2
191.08569	0.6
191.14275	1.2
192.09146	0.7
193.06445	1.1
193.10123	1.3
194.07291	1.5
195.08064	2.1
197.05957	1.0
203.08597	1.1
205.06464	1.2
206.07233	2.2
206.09103	1.0
207.08078	2.2
207.10143	8.0
209.09621	1.5
210.06769	1.7
211.07565	1.5
212.08270	0.8
219.08063	1.6
220.08748	2.7
221.05963	1.6
221.09605	4.0
222.06711	0.8
223.07486	4.2
224.08247	1.2
225.09047	4.3
230.05876	0.8
231.08067	0.8
234.06740	1.9
235.07487	1.8
235.11212	0.7
237.05322	1.2
237.09045	2.9
238.09853	3.0
239.07005	1.9
239.10510	0.7
240.07762	1.6
248.08319	4.6
249.09158	2.6
250.06207	1.0
250.09787	1.0
251.07063	2.9
252.07739	0.9
253.08542	6.0
253.11308	0.6
253.12407	1.0
254.09230	0.8
255.10144	2.3
258.05240	1.6
259.06100	0.7
261.08994	0.6
263.07260	0.8
263.10669	1.2
264.07629	1.1
264.11423	0.6
265.08536	6.2
266.09314	8.3
267.10089	2.1
268.07275	2.5
269.11691	0.9
271.09616	0.6
277.08475	1.6
279.10126	1.2
280.07108	0.6
280.10861	1.2
281.08035	4.4
281.11667	2.1
282.12387	1.3
283.09735	5.7
285.03525	0.7
285.11111	1.5
286.04681	2.2
286.11807	3.6
287.05536	2.8
291.08426	0.7
292.10840	1.0
293.11731	0.7
294.08832	1.1
296.10330	0.7
297.11176	2.4
298.11969	3.9
299.12906	1.8
303.04987	0.8
309.11093	4.1
310.11942	10.4
311.12723	6.5
315.05023	1.0
318.06824	0.6
326.11218	1.0
327.12247	43.7
328.12656	1.0
329.13867	3.7
330.14572	18.7
331.04474	1.9
332.05414	1.3
341.13864	2.3
342.14587	100.0
343.15091	3.3
347.07568	41.6
369.61038	0.6
371.14880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01851	0.8
55.05489	1.1
57.03417	1.5
57.07061	1.6
58.99563	1.3
59.04997	0.5
60.04515	0.6
61.02905	1.3
62.21327	0.4
67.05486	2.0
69.03420	36.3
69.07056	2.5
70.06561	0.8
71.04974	1.0
71.36899	0.6
76.02217	3.8
79.05497	2.1
81.03391	1.6
81.06724	0.3
81.07054	3.9
83.04968	2.6
83.08592	1.3
83.41108	0.4
85.02416	0.6
85.02897	9.9
85.03407	0.5
85.06511	1.7
86.99015	0.7
91.05460	2.2
93.07028	3.2
95.04949	0.7
95.08595	7.1
97.02865	3.0
97.06532	2.2
99.04416	0.8
105.00064	1.6
105.07034	3.6
107.04904	0.8
107.08582	11.4
108.24742	0.4
109.02837	0.8
109.06508	3.7
109.10125	1.5
111.08098	2.4
117.07046	0.4
119.08556	3.8
121.06505	2.1
121.10124	11.9
122.02709	20.7
123.08045	2.7
123.11691	6.2
125.09610	18.3
127.03857	1.9
130.76732	0.4
131.08543	5.4
133.10089	4.5
135.08029	9.5
135.11653	4.2
137.09599	0.7
139.03894	0.5
141.45497	0.4
143.08542	0.8
144.09311	0.5
145.04948	1.0
145.10068	3.2
147.04379	0.5
147.11682	3.0
149.09604	9.4
149.13216	2.6
151.11160	1.2
153.09091	6.0
158.10909	2.4
163.11183	2.2
163.14819	5.1
165.12724	3.7
167.05203	1.1
167.10652	1.5
173.13239	17.4
176.11896	0.6
181.06900	0.5
191.14278	65.7
192.14577	0.6
197.09969	0.9
200.03720	1.0
209.15337	100.0
210.15666	1.1
223.11525	4.6
241.12547	5.9
248.05885	0.7
284.07809	0.4
330.13333	0.8
330.17282	13.8
334.34222	0.4
403.02829	0.5
492.15195	0.6
492.22150	1.6
493.06177	0.5
493.12796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.3
57.03436	6.3
57.07063	1.5
58.02349	0.8
58.06595	19.3
65.03931	1.0
67.05165	1.4
67.05496	19.4
69.07063	12.4
70.05341	2.0
70.05740	1.9
71.04973	1.8
78.12755	0.9
79.05481	7.0
81.07049	21.4
83.04977	1.0
83.08593	5.7
85.06506	1.2
91.05470	5.9
93.07027	6.8
95.04974	1.7
95.08591	16.8
97.06467	0.9
97.10149	3.9
98.21386	1.0
105.07018	2.5
107.08573	4.3
109.10140	4.6
115.98487	0.8
117.62249	0.9
119.08598	2.7
121.10123	2.7
123.11688	2.2
133.10121	2.4
133.92609	0.8
135.11755	1.3
137.13245	1.4
147.11696	1.9
147.56383	0.8
156.04190	3.6
175.14761	1.4
230.07893	1.0
337.27319	100.0
338.27716	1.7
446.36169	1.6
474.29141	1.1
492.33047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Myricetin 3',4'-dimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
50.08775	0.5
50.22756	0.5
55.05501	0.8
57.03435	4.9
67.05482	0.9
69.03406	1.6
70.77412	1.5
71.04986	29.4
73.02883	1.3
75.04486	0.6
79.05473	1.1
80.39700	0.5
81.03391	0.5
81.07048	1.2
83.04956	1.0
85.02897	31.7
86.03229	0.8
87.04485	0.6
91.05456	2.2
93.07036	1.3
95.04935	0.8
95.08598	0.6
97.02847	1.0
99.04435	0.7
103.05434	1.5
105.07005	2.1
107.08588	1.0
109.10121	0.6
110.54034	0.5
111.04445	1.4
116.98586	0.5
119.08556	0.6
121.02872	0.8
121.10135	0.6
122.03623	0.8
124.53739	0.5
127.03845	0.6
129.05486	7.2
129.07008	0.7
131.04895	1.2
131.08542	0.6
133.06493	1.0
133.10092	1.2
135.07979	0.6
135.85793	0.6
137.05002	0.7
137.05975	13.0
139.03871	3.5
140.07013	0.5
145.04874	0.7
145.10046	0.6
147.06461	1.4
149.05994	1.2
151.07503	3.6
151.11188	0.8
153.01831	5.5
153.05424	2.8
159.68649	0.5
161.05911	1.3
163.07515	2.2
165.01816	1.4
167.07050	0.8
175.07541	1.0
177.09100	4.4
181.04944	1.2
183.02881	0.6
187.07584	0.8
189.09042	1.0
193.12198	0.9
195.07909	0.7
207.10103	0.7
216.04135	0.8
221.06058	0.6
221.09564	0.6
229.04939	0.9
230.05650	0.7
244.03679	1.5
253.08403	0.7
254.09100	0.7
255.02879	0.7
255.10239	1.1
257.04568	0.9
258.05359	4.4
259.05737	1.2
267.10080	0.8
269.04431	1.5
272.03088	0.8
283.01929	0.6
285.03897	1.1
286.04675	3.4
287.05484	7.1
287.12732	1.8
289.03226	0.8
291.08582	1.7
299.12366	0.9
303.04999	1.9
310.11414	0.7
311.12277	1.4
313.14282	1.1
314.04306	1.0
315.04764	2.9
327.12259	1.3
328.12622	4.7
330.14560	0.8
331.04428	4.4
331.14932	1.3
332.05148	2.7
342.14468	2.4
343.14935	12.1
347.07574	100.0
348.07901	1.8
351.16003	0.8
368.31573	0.7
493.23636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2791
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.29361	0.8
53.03933	4.6
55.01619	1.0
55.01865	12.3
55.05505	25.2
57.03427	12.3
57.07082	1.8
58.94674	0.7
59.04989	3.0
61.02881	1.0
62.43435	0.8
65.03916	1.9
67.05499	31.4
67.05863	1.5
69.03414	6.7
69.06776	0.7
69.07062	9.8
69.50574	6.2
71.01328	0.9
71.04991	7.0
71.08607	1.0
72.08133	0.9
73.02889	1.7
77.03927	1.2
79.05482	38.3
81.03408	55.9
81.07047	42.3
83.01327	5.5
83.04971	21.1
83.08125	1.6
83.08607	26.4
85.02897	25.5
85.06522	3.2
91.05468	38.8
93.07035	37.9
95.04960	29.6
95.08595	18.2
97.02864	5.7
97.06518	6.9
97.10162	6.1
99.04425	2.4
99.08083	2.0
105.04485	0.8
105.07017	27.1
107.04942	11.3
107.08578	19.0
109.02907	1.1
109.06506	8.7
109.10142	6.3
111.04420	6.0
111.08052	8.7
113.05976	2.7
115.05447	1.8
117.06998	9.6
119.04943	1.4
119.08569	24.2
121.06490	5.5
121.10136	17.8
123.04419	1.5
123.08055	9.4
123.11674	2.1
125.05997	2.1
125.09602	3.4
127.03903	1.3
128.06186	1.0
129.05482	1.0
129.06993	10.4
130.07788	1.3
131.04988	1.3
131.08554	13.7
131.77036	0.9
133.06480	3.0
133.10121	11.6
135.08029	3.2
135.11676	11.4
137.05949	1.6
137.09618	3.4
139.03905	1.3
142.07774	3.6
143.08543	2.9
145.06470	1.9
145.10098	17.1
147.08014	4.4
147.11662	11.6
149.09581	5.7
149.13313	0.9
153.12700	4.4
155.08540	3.1
157.10109	11.3
159.08000	1.3
159.11694	2.8
161.09531	1.1
161.13205	0.9
163.11169	26.0
165.09164	1.0
165.12752	2.4
171.07985	1.0
171.11589	1.6
173.09584	3.7
173.13272	2.1
175.11143	10.9
175.14801	1.2
181.10805	0.7
181.12169	5.6
183.11661	1.1
185.13269	1.5
189.11191	1.3
191.10608	4.9
193.12221	41.3
194.80637	0.7
209.11664	7.7
211.13268	49.3
227.12672	6.7
249.14926	1.5
265.14346	1.1
267.15857	5.8
275.20062	1.4
277.21655	0.9
283.15237	4.1
285.09998	1.3
294.75464	1.0
352.25562	2.1
355.22482	0.9
373.23672	1.2
383.17444	1.8
383.21588	3.8
384.18045	1.0
401.23123	2.1
443.27899	1.0
457.26279	1.1
457.32745	1.1
461.29144	2.2
475.26544	7.2
493.27850	100.0
494.27707	2.6
498.05069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01863	7.8
55.02071	1.2
55.05503	24.2
56.96559	1.8
57.03432	12.0
57.07054	2.7
59.04990	1.5
61.02903	2.9
65.03928	2.1
65.60314	1.5
67.05493	39.1
69.03414	8.6
69.07056	11.6
69.68410	1.3
71.04971	8.0
71.63336	2.0
73.02926	2.0
79.05482	47.0
80.05779	1.3
81.03406	60.6
81.07042	40.0
83.04970	12.6
83.08136	1.7
83.08601	26.2
85.02888	15.4
85.06520	3.3
91.05470	36.4
93.07031	49.5
95.04357	1.7
95.04956	30.4
95.08595	47.1
97.02883	8.2
97.06531	7.0
97.10152	5.4
99.04430	4.3
105.04535	1.5
105.07010	27.4
107.04932	14.8
107.08577	32.2
109.02818	2.6
109.06493	7.3
109.10144	9.4
111.04442	7.0
111.05076	1.4
111.08063	9.9
113.06022	2.0
115.05444	1.9
117.07008	13.3
119.08566	29.2
121.02839	2.2
121.06479	11.2
121.10120	19.1
123.08038	4.8
123.11671	3.3
125.05961	3.9
125.09606	4.0
128.06140	1.3
129.06989	9.8
130.07724	2.6
131.08560	10.3
133.06509	1.7
133.10115	11.6
135.08052	3.6
135.11667	44.9
139.03879	6.5
139.07500	1.7
142.07703	2.2
143.08533	2.6
145.06464	2.4
145.09012	2.7
145.10103	31.5
147.08052	3.4
147.11684	11.1
149.09593	6.3
149.13304	1.8
149.60118	1.4
151.03891	1.5
153.12715	4.3
155.08530	2.1
157.10097	10.7
159.11610	1.8
161.09570	2.0
163.03914	1.9
163.11162	55.4
173.09595	1.6
173.13147	1.7
175.11179	11.5
181.12199	11.8
191.10640	2.3
193.12219	35.6
194.12469	1.4
209.11659	5.6
211.13254	44.3
227.12738	100.0
229.14343	1.6
231.13745	2.0
247.13309	5.6
249.14775	3.7
267.09106	2.7
267.15872	39.0
283.15329	16.2
285.10010	5.0
299.05609	1.9
370.23816	1.6
383.22159	3.6
401.12814	4.2
401.23450	2.2
457.25696	1.7
457.32684	1.8
475.26868	31.6
475.33563	3.2
493.27844	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01871	2.0
55.75283	0.5
57.03428	4.3
61.02924	8.0
64.40582	0.4
65.03928	0.5
69.03064	1.0
69.03426	15.3
69.03805	0.8
70.06582	0.9
71.04988	2.1
71.24215	0.7
71.24564	0.9
73.02917	3.9
80.69796	0.4
81.03416	5.1
85.02900	100.0
86.03276	0.5
86.09724	0.4
87.04459	2.6
89.05144	0.6
91.03957	6.3
91.05487	1.1
97.02887	24.7
99.04445	3.9
103.03981	0.5
109.02872	7.5
115.03939	0.9
121.02864	21.2
122.06049	1.1
123.04456	0.7
127.03909	28.3
139.03868	0.6
145.04950	50.5
147.04414	0.8
151.45831	0.5
153.05453	33.5
156.36745	0.5
163.06004	19.0
181.07114	0.9
183.10103	0.7
267.79694	0.6
271.08237	1.0
325.11404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05016	0.5
57.03424	0.4
57.07071	0.2
58.06631	0.4
60.08156	5.1
66.76768	0.1
67.05489	0.4
69.07056	0.5
69.31254	0.8
69.31685	0.8
70.06582	0.2
71.07365	2.4
71.08640	0.2
73.46675	0.1
79.05493	0.2
81.07046	0.5
83.08629	0.3
86.09693	27.4
88.07616	0.3
93.07035	0.4
93.95985	0.1
95.08607	0.5
97.10155	0.2
98.98449	2.3
102.09165	0.2
104.10732	2.8
107.08553	0.2
109.10161	0.2
121.10123	0.3
124.99987	18.5
135.11688	0.2
143.01035	0.3
149.02301	0.6
184.07315	100.0
185.07686	0.3
193.04910	0.8
237.07538	0.7
284.29407	0.5
303.26950	0.2
311.26147	0.3
400.00821	0.2
453.33713	0.3
476.31357	1.0
494.32486	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	495.1126
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03931	0.7
55.01854	0.8
57.03424	1.0
57.81124	0.4
61.02907	1.4
67.05507	0.4
69.03417	3.8
69.29446	2.8
69.29871	1.2
70.06573	0.4
71.04971	0.4
73.02905	0.5
79.05438	0.4
81.03413	2.1
85.02419	0.6
85.02892	10.3
87.04423	0.7
91.03968	0.5
91.05460	0.5
93.07046	0.3
95.04980	0.4
95.08584	0.4
97.02871	3.9
99.04420	0.5
107.08584	0.4
108.02065	0.3
109.02874	3.0
111.04421	0.4
120.48089	0.4
127.03909	1.8
137.02316	0.8
137.05960	0.8
145.04955	1.9
145.10168	0.4
153.01823	5.1
165.01880	0.5
167.10004	0.4
179.03346	0.5
201.05533	0.3
205.05000	0.8
206.05629	1.2
208.03479	0.8
216.04268	0.4
217.04970	0.7
219.02863	6.7
220.01434	0.3
232.03578	0.5
233.04384	3.8
234.05238	1.5
243.02849	0.8
244.03629	2.1
245.04274	1.7
247.02382	0.9
261.03986	1.4
273.03915	1.0
277.05139	0.7
287.05630	0.4
289.03418	3.1
290.04169	3.3
298.11694	0.4
300.02493	0.5
301.03363	3.5
315.04984	0.4
318.03659	36.5
319.03922	0.8
333.05991	100.0
334.06253	1.6
343.04651	0.5
421.74243	0.4
495.05481	0.4
495.12683	0.4
495.25751	0.7
524.51880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.05505	20.6
56.78828	0.6
57.03431	13.1
59.04972	1.3
65.03916	1.4
67.05496	32.3
69.03417	4.8
69.07061	8.3
71.04973	7.4
73.02882	0.7
79.05485	31.1
81.03410	73.1
81.07047	37.9
83.04972	15.6
83.08609	28.4
84.31277	0.6
85.02895	39.2
85.06510	2.8
91.05471	40.4
93.06467	1.0
93.07035	20.7
95.04958	36.1
95.08040	0.9
95.08598	12.6
97.02882	3.9
97.06514	4.5
97.10155	5.5
99.04466	0.9
99.08064	1.2
103.05432	0.9
105.04461	0.7
105.07014	27.1
107.04949	8.1
107.08581	10.7
109.06507	6.3
109.10141	4.0
111.04415	3.6
111.07338	1.0
111.08060	12.4
113.06010	3.4
115.05419	1.8
117.07007	3.1
119.04884	0.9
119.08568	24.9
121.06487	2.6
121.10129	12.1
123.08025	2.9
123.11667	1.7
124.34858	0.6
125.09610	3.6
129.06995	15.7
131.07570	1.1
131.08546	14.7
133.06464	3.9
133.10117	12.3
135.08031	1.3
135.11656	1.4
137.09576	2.4
142.07718	3.8
143.08537	0.7
145.06465	1.0
145.10092	2.6
145.70036	0.7
147.08043	3.6
147.11673	18.9
149.09589	7.6
151.11154	1.2
155.08546	0.8
157.10107	16.3
163.11162	1.4
165.12755	4.1
175.11157	18.3
189.11205	1.3
193.12222	67.1
194.12424	0.7
197.13187	0.6
205.12190	0.7
211.13271	87.3
212.13611	1.6
227.12663	1.0
261.29346	0.6
267.15878	10.2
285.16876	4.4
357.24176	1.0
359.22141	1.4
367.22620	1.5
385.23715	2.0
403.24817	0.9
433.25845	1.3
441.48608	0.6
451.26834	0.8
459.27466	5.0
477.28424	8.5
495.29492	100.0
496.29758	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	495.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35746	0.7
51.02362	0.8
53.03938	2.5
54.37835	0.8
55.01858	3.5
55.05255	1.2
55.05503	15.4
57.03430	11.2
57.07054	0.9
59.04980	1.6
63.14018	0.7
65.03928	2.2
67.05498	26.3
69.03412	4.7
69.07060	7.2
70.84036	1.3
70.84377	1.1
71.04984	6.5
79.05485	30.2
81.03407	63.4
81.07047	33.2
83.04973	13.9
83.08219	0.5
83.08608	28.3
85.02898	35.2
85.06539	2.3
91.05468	34.4
93.07033	19.9
95.04956	31.8
95.08591	12.6
96.38690	0.8
97.02895	2.9
97.06497	4.0
97.10152	4.4
99.04486	0.9
99.08101	1.6
100.11243	1.3
100.55514	0.7
101.28893	0.8
103.05423	0.8
104.33691	0.8
105.07017	24.5
107.04940	8.1
107.08578	9.5
109.06508	8.3
109.10157	3.6
111.04465	2.3
111.08073	11.5
113.06009	3.4
115.05462	1.3
117.06990	2.8
119.04967	1.1
119.07771	1.6
119.08572	21.9
121.06472	2.3
121.10127	11.1
123.08056	2.6
123.11700	2.9
123.62206	0.8
125.05981	1.1
125.09624	3.1
126.30874	0.8
128.06233	1.3
129.06984	13.5
131.08554	12.8
133.06516	4.0
133.10115	11.4
135.08051	1.9
135.11734	1.8
137.06052	0.9
137.09575	1.9
139.03870	1.1
142.07742	3.9
145.10091	3.9
147.08063	3.5
147.11679	15.7
149.09605	7.1
153.01863	2.1
155.08580	1.1
157.10118	15.5
159.11598	0.9
165.12732	2.8
171.11679	1.3
173.09517	0.9
175.11157	13.8
175.12518	1.2
189.11267	1.7
193.12218	60.5
194.12674	1.2
211.13272	85.0
212.13600	1.9
227.12831	1.3
247.63432	0.9
249.14447	1.1
259.95630	0.7
267.15857	11.9
285.16913	4.4
339.05060	1.8
349.21555	0.9
359.22211	1.4
367.22653	1.1
377.73856	0.7
385.23932	2.2
397.08182	0.9
403.24780	2.3
433.25452	0.8
451.26843	1.2
459.27371	4.9
477.15265	4.2
477.28409	9.9
495.29507	100.0
496.29886	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	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01853	3.2
55.05254	1.5
55.05502	16.4
56.96550	0.9
57.03429	12.0
57.07051	1.4
58.18894	0.7
59.04992	1.0
61.02932	1.4
64.88637	0.7
65.03603	0.8
65.03940	2.2
67.05493	27.6
69.03413	5.8
69.07056	9.1
69.93959	0.7
70.76766	3.0
71.04982	6.5
73.02940	1.8
74.86964	0.7
75.90235	0.9
79.05479	31.9
81.03405	62.0
81.07043	33.3
83.04968	13.5
83.08603	23.7
83.09096	1.0
83.36768	0.7
85.02888	37.4
85.06525	1.9
91.03920	1.3
91.05464	36.9
93.07025	24.1
95.04955	27.4
95.08020	1.5
95.08591	13.5
97.02877	5.0
97.06513	4.5
97.10149	4.1
99.08098	1.5
105.04517	0.8
105.07016	29.7
107.04932	6.5
107.08571	11.1
109.06498	5.7
109.10149	5.7
111.04444	2.2
111.08067	12.4
113.05994	3.9
115.05428	1.6
115.35735	0.9
117.07031	3.7
119.04967	1.2
119.08564	27.8
121.06506	2.7
121.10115	12.4
121.60284	0.9
123.08052	2.6
123.11678	2.0
125.09586	2.7
128.06198	1.2
129.06985	11.6
131.08548	17.5
133.06485	3.2
133.10112	11.9
135.04227	0.8
135.08022	1.5
135.11682	2.3
137.09605	1.8
141.06961	1.3
142.07794	3.9
143.08530	1.3
145.06493	0.9
145.10091	5.2
147.08044	3.1
147.11650	17.0
147.12753	1.1
149.09589	7.2
149.13240	1.4
151.11107	0.9
155.08609	2.0
157.10089	13.9
159.11690	2.9
161.13274	1.2
163.11224	1.1
165.12750	3.4
169.10100	1.1
171.11610	1.4
173.13223	1.1
175.11160	18.3
175.14767	1.1
183.11676	1.8
187.11232	1.1
187.14696	1.0
189.16425	1.0
191.18001	1.1
191.58487	0.8
193.12212	52.1
198.94101	1.0
199.14726	1.1
211.13248	76.2
212.13692	1.9
224.92128	0.9
225.16435	0.9
227.04004	0.9
259.20566	1.2
267.13211	1.6
267.15839	10.5
269.91891	0.8
285.16791	4.1
367.22757	2.7
375.25204	1.5
385.23740	2.3
403.24753	1.2
417.26541	1.2
417.31549	1.4
433.25931	1.0
435.32578	2.7
441.26337	2.2
453.89178	0.8
459.27408	6.7
464.17590	0.9
477.28387	11.2
477.34521	1.2
489.43521	1.0
495.29507	100.0
496.29736	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	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05507	0.4
56.05027	1.2
57.03435	0.4
57.07069	2.9
57.49934	0.2
58.06566	1.4
59.07386	0.4
60.08157	16.2
61.85272	0.2
61.87679	0.2
64.28380	0.2
65.03908	0.2
67.05489	0.7
69.07063	0.6
69.27927	0.2
70.06570	0.2
70.25066	0.4
70.25457	0.3
71.07368	6.2
71.08619	2.1
81.07047	0.9
83.08614	0.7
85.10177	1.4
85.98433	0.2
86.09697	50.4
87.09998	0.2
95.08585	1.0
97.10155	0.2
98.98460	3.2
104.10733	100.0
105.11059	0.5
109.10123	0.5
123.11667	0.4
124.99991	28.1
143.01044	0.3
146.14470	0.2
147.04395	0.2
149.28827	0.2
151.37347	0.2
163.01575	0.9
166.02724	0.2
181.02620	0.2
184.07321	95.4
185.07680	0.6
196.66878	0.2
201.16180	0.2
224.97113	0.2
233.08131	0.2
235.83517	0.2
258.10925	0.9
313.27368	1.8
321.22955	0.2
365.04251	0.2
419.25458	0.4
478.32904	9.0
479.33011	0.3
496.33936	39.5
497.34204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
56.05030	0.6
57.03425	0.2
57.07064	0.6
58.06621	0.6
60.08158	5.8
67.05492	0.2
67.47108	0.1
69.07049	0.2
71.07365	2.5
71.08613	0.4
74.06554	0.1
81.07050	0.2
83.08599	0.1
85.10160	0.3
86.09695	27.8
87.10030	0.1
95.08607	0.3
98.98447	2.4
104.10738	3.0
124.99989	19.9
131.64217	0.1
134.03453	0.1
143.01027	0.4
145.60674	0.1
159.11765	0.1
184.07317	100.0
185.07669	0.5
189.16347	0.2
210.24556	0.1
258.10834	0.2
313.27292	0.2
320.07321	0.1
478.32962	1.3
496.33798	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	496.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	8.6
67.05499	10.2
69.07048	14.3
71.33400	6.6
71.33718	9.2
79.05478	7.2
81.07047	24.8
91.05486	7.9
93.07027	15.7
95.08609	34.7
100.61446	4.8
105.07041	16.8
107.08568	28.6
109.10131	24.8
115.70938	5.7
119.08586	38.3
121.10140	44.8
123.11711	16.3
133.10135	35.7
135.11678	16.1
135.16695	6.2
137.13264	8.3
139.12389	5.9
145.10159	14.3
147.11696	32.8
149.13264	16.8
159.11671	15.7
161.13237	14.9
163.14816	35.8
175.14856	8.6
177.16400	10.3
184.49066	5.8
187.14783	28.7
189.16376	27.2
201.16351	23.0
203.17938	21.1
207.17468	12.0
215.17876	8.8
221.18959	7.8
247.16895	9.0
385.62817	6.5
391.33301	8.4
397.30972	11.7
406.15656	5.6
409.34586	41.4
437.34048	11.6
442.72147	6.4
455.35092	58.9
483.36749	8.3
496.34454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0925
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
55.01848	0.9
55.55837	0.3
57.03415	0.9
61.02921	1.4
65.03970	0.3
68.99780	1.0
69.03426	3.5
70.06570	0.7
71.04967	0.8
71.61447	0.5
72.08143	0.3
73.02894	0.6
79.01845	0.4
80.91966	0.3
81.03406	1.9
81.07023	0.3
84.08172	0.3
85.02895	9.9
86.09657	0.5
87.04452	0.4
91.03937	0.3
91.05453	0.6
93.06982	0.3
95.04924	0.3
95.08604	0.4
97.02869	4.0
97.06520	0.4
99.04424	0.5
105.07012	0.7
107.01328	0.5
107.08541	0.4
109.02869	1.4
109.06493	0.3
109.10150	0.3
110.88908	0.2
111.00791	0.3
111.04413	0.5
112.35914	0.3
116.92278	0.3
121.02856	0.3
121.06526	0.3
121.10134	0.5
123.00764	0.3
125.02333	1.5
127.03886	2.4
131.04875	0.4
133.10103	0.6
137.02309	0.9
137.06001	0.5
139.03867	1.3
141.01875	0.4
143.03384	0.5
145.04916	1.2
146.05942	0.4
147.04405	0.4
151.03862	0.4
153.01807	14.4
159.04414	0.5
159.11714	0.3
163.03853	0.8
164.06992	0.3
165.01839	1.2
165.05420	0.4
166.02547	0.5
169.01306	5.3
171.02864	0.4
177.05466	0.6
179.03348	0.8
181.01323	1.4
185.00786	0.7
187.03880	0.8
191.03348	0.6
193.04921	0.4
195.02896	0.7
204.00151	0.3
205.04884	1.4
210.01537	0.3
215.03339	2.2
219.02856	1.0
233.04398	2.9
235.02213	0.3
237.03845	0.3
243.02960	1.5
249.03999	0.4
261.03903	3.9
271.02383	1.1
273.03867	0.3
279.04874	0.8
289.03387	10.7
291.04959	0.5
299.01883	0.7
306.03635	0.7
307.04294	0.4
317.02866	9.1
319.04495	1.2
335.03928	100.0
336.04337	1.2
436.95816	0.3
497.19666	0.3
497.28638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
57.03427	0.6
58.11874	0.3
61.02917	1.0
64.94645	0.2
65.03938	0.4
65.20226	0.2
67.05499	1.2
69.03419	2.6
69.07063	34.3
70.70287	0.7
71.04992	0.5
73.02921	0.3
79.05493	0.7
80.05015	0.2
81.03407	1.0
81.07053	2.3
82.06568	0.2
85.02901	6.0
91.03932	0.3
91.05444	0.3
92.04990	0.4
93.06991	0.3
94.06566	1.7
95.04964	0.9
96.08102	0.3
97.02890	1.8
97.06522	6.3
97.07123	0.4
108.04462	0.4
109.02879	0.5
109.06493	0.5
116.56943	0.3
119.03677	0.3
120.04436	0.3
121.05233	0.5
121.06535	0.3
122.06012	3.6
124.07587	1.1
125.05995	0.9
127.03914	0.7
132.08055	0.3
137.05934	1.7
138.05499	2.7
140.07030	3.2
141.07802	0.5
142.08656	0.5
143.07249	0.3
144.08080	0.9
145.04968	0.6
145.08900	1.4
145.09959	0.4
146.09616	1.9
148.03949	0.6
150.05493	41.9
152.03423	0.5
154.08690	0.3
157.08884	0.8
158.09579	0.3
159.10406	0.6
160.07542	0.6
160.11206	0.4
161.08342	2.3
162.09137	1.8
163.04980	0.4
164.03384	0.4
165.04155	0.4
166.04980	9.9
167.07188	0.3
168.06552	0.7
170.09572	0.3
171.06786	0.3
172.07603	0.8
172.11185	2.2
173.08342	1.2
174.05559	0.2
174.09128	0.7
174.12784	3.2
176.03394	2.8
178.04997	1.1
182.04485	0.3
182.09624	0.4
185.08339	1.0
186.07622	0.5
186.09120	0.5
188.07088	0.4
188.10715	0.7
190.08604	0.6
190.12259	3.4
192.02940	0.5
194.04521	1.6
198.07664	0.4
198.09239	0.4
199.06200	0.3
200.07005	0.8
200.10703	3.6
202.08582	0.3
202.12239	4.5
204.10020	0.4
206.11739	0.5
213.10207	0.6
216.10205	2.9
218.08180	1.0
218.11755	13.2
219.11859	0.3
225.10228	0.5
226.08626	0.7
227.11792	0.5
228.10190	7.4
229.13364	0.9
230.11877	0.3
233.09041	0.3
234.11194	2.1
241.09624	0.4
243.11273	0.8
244.09875	1.5
245.12869	0.8
246.11246	10.7
253.09764	0.4
254.08272	0.4
255.11273	0.5
256.09653	0.8
257.09183	1.1
261.08704	0.6
261.12338	0.6
262.10724	0.5
271.10751	2.5
272.09219	1.9
273.12363	1.5
274.10681	1.9
287.10251	4.5
288.11008	0.4
289.08514	0.3
289.11795	5.1
290.10199	1.0
291.13446	0.5
299.10229	3.9
305.69922	0.3
317.11307	21.8
318.09790	1.0
335.12335	100.0
336.12769	1.5
391.70450	0.3
412.37158	0.3
497.10721	0.4
497.17526	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	497.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.0
52.95277	1.8
53.03924	2.7
55.05509	12.6
57.03424	2.8
57.07064	7.1
59.04993	4.8
61.02903	2.1
67.05494	23.4
69.03423	2.3
69.07061	27.2
70.79533	4.7
70.79903	3.6
71.04949	3.3
79.05486	13.6
80.76747	1.9
81.07047	49.2
83.04971	2.7
83.08601	10.0
85.06536	3.4
89.51373	1.7
91.05467	26.7
93.07035	47.1
95.04970	4.9
95.08596	83.1
97.06520	4.7
97.10141	4.3
105.07014	54.2
107.08582	58.9
109.06525	5.2
109.10137	34.5
111.08082	5.6
115.05450	3.5
117.07034	12.0
119.08565	65.5
121.06522	3.8
121.10133	51.0
123.08060	7.5
123.11681	21.0
123.32037	1.9
125.09628	2.5
128.06244	5.8
128.67421	2.2
129.06981	11.1
130.07771	2.9
131.08548	46.5
133.10112	51.7
133.11067	3.6
135.08028	3.2
135.11687	36.8
137.13258	12.6
141.06982	6.2
142.07761	7.4
143.08545	25.8
144.09296	2.2
145.06502	2.9
145.10115	54.7
147.08041	2.6
147.11667	33.5
149.09644	2.5
149.13220	17.7
151.14763	2.0
153.06984	2.2
154.07793	6.4
155.08530	12.5
156.09358	8.0
157.10098	34.5
158.10892	2.5
159.08005	5.8
159.11668	37.6
160.12405	3.7
161.09624	7.6
161.13220	22.6
163.11198	2.8
163.14821	8.5
167.08562	5.7
168.09317	4.4
169.10097	40.9
170.10896	7.8
171.11647	25.6
172.12407	2.6
173.09641	7.2
173.13219	25.6
175.11186	3.3
175.14828	20.9
177.12740	4.2
177.16368	6.7
179.08490	2.2
179.14340	2.5
180.09267	2.4
181.10051	9.9
182.10910	6.8
183.11696	19.2
184.12303	2.3
185.13249	25.7
186.14058	2.6
187.11151	6.8
187.14810	26.0
189.12743	4.7
189.16377	36.3
191.14316	5.6
191.17921	100.0
193.10089	4.0
195.11703	9.1
196.12486	7.2
197.13235	21.3
199.11081	2.9
199.14827	23.3
201.12744	8.7
201.16324	27.7
203.14349	6.7
203.17918	26.3
205.15892	3.1
205.19498	5.6
207.11681	3.9
207.17455	2.6
208.12587	2.5
209.13245	5.6
211.14789	33.4
213.12794	3.4
213.16394	7.8
215.14316	14.4
215.17894	6.7
217.15831	13.9
217.19466	7.5
219.17426	2.9
221.13280	4.6
223.14830	6.6
225.16414	7.9
227.14418	4.1
227.17949	4.7
229.15840	45.4
229.19563	5.4
231.17374	3.2
233.13135	2.5
233.15335	3.5
235.14748	3.4
236.15485	2.0
237.16360	5.7
239.17989	6.3
241.19400	2.4
243.17476	4.9
243.21040	3.3
247.16927	14.2
249.16409	4.1
251.17873	10.2
253.19595	4.7
255.17429	3.8
263.17911	3.2
265.19592	4.6
267.17282	2.2
267.21014	2.8
269.19037	6.9
276.99466	2.0
279.20950	3.4
281.18961	5.5
283.20602	6.3
289.18048	4.4
309.25601	2.4
311.23715	6.8
312.96274	2.3
321.25916	2.5
329.21320	2.5
329.24857	8.5
351.26871	3.7
361.28897	2.2
377.28299	2.7
389.31995	6.8
401.32001	14.1
402.62195	2.2
407.33240	11.8
419.33054	69.0
437.34161	42.8
479.35141	40.1
497.30078	2.7
497.36462	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	497.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.9
57.03431	4.6
57.07068	6.9
60.55164	2.8
65.03936	2.9
67.05492	26.3
69.03426	5.1
69.07059	33.3
71.04966	3.7
71.61882	4.5
78.71479	2.7
79.05483	29.0
81.03416	5.2
81.07048	59.2
83.04973	6.8
83.08623	19.8
85.02909	9.2
91.05468	29.3
93.07037	49.0
94.32610	3.2
95.04962	11.9
95.08594	89.2
97.06524	6.7
97.10151	8.8
105.07016	53.3
107.08582	76.6
109.06543	6.6
109.10139	37.6
111.08070	6.7
114.35000	2.9
115.05472	4.0
117.07013	11.9
119.08569	64.2
121.06458	3.9
121.10119	50.5
123.08035	9.5
123.11698	20.6
125.09554	3.6
128.06200	4.8
129.07004	7.9
130.07800	3.7
131.08536	43.2
133.10103	44.0
134.96976	3.1
135.08037	8.8
135.11668	48.0
135.19507	3.2
137.13226	12.8
139.03911	6.4
141.07065	3.8
142.07773	9.1
143.08545	27.6
144.09264	5.9
145.10100	57.2
145.11124	5.0
147.08006	4.2
147.11668	40.3
149.09570	3.6
149.13240	18.6
154.07745	4.8
155.08536	17.3
156.09349	11.2
157.10114	34.8
158.10803	3.4
159.08038	5.1
159.11653	37.7
161.09622	7.7
161.12120	3.4
161.13232	21.8
163.03819	4.2
163.11218	5.0
163.14842	9.4
167.08566	6.2
168.09367	4.8
169.10101	40.1
170.10918	9.2
171.11700	32.6
173.09633	9.9
173.13228	27.3
175.11191	4.7
175.14835	24.8
177.12650	4.4
177.16335	6.1
179.14325	4.7
181.10104	11.1
182.10928	4.4
183.11690	18.8
185.09750	3.8
185.13228	28.3
187.11151	7.9
187.14699	21.3
189.12782	4.9
189.16371	35.9
191.17931	100.0
194.10832	3.8
195.11662	7.0
196.12421	9.0
197.13188	15.8
199.11156	5.4
199.14767	25.3
201.12715	11.9
201.16374	24.8
203.14458	6.3
203.17900	29.3
207.11662	4.5
209.13263	7.7
211.14778	29.2
213.12802	3.5
213.16272	8.3
215.14311	14.9
215.17841	7.5
217.15833	16.6
217.19501	6.0
223.14859	5.6
225.16444	7.5
227.17914	4.3
229.15845	42.8
229.19484	7.8
231.17467	5.6
235.14774	6.2
237.16327	4.2
239.18004	3.7
239.35204	3.7
241.15802	4.6
243.17500	5.0
247.16905	11.0
251.17934	6.9
255.17566	4.1
265.19373	3.8
269.18991	8.2
275.81760	3.3
281.19055	6.9
283.20383	4.9
289.17880	4.7
311.23743	6.9
333.04645	3.2
339.12302	3.0
340.31091	3.3
351.26758	7.4
389.32037	8.5
391.33447	4.2
392.38782	3.2
401.31897	19.3
407.33099	14.4
419.33038	62.6
437.34119	40.3
461.34436	4.2
479.28503	4.6
479.35208	38.2
497.27753	11.2
497.31082	6.5
497.37158	27.7
498.35754	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
54.61349	2.1
55.05502	16.2
57.07062	6.4
59.04991	3.7
59.62626	1.9
67.05501	27.6
69.07054	24.2
69.59728	16.7
76.14246	2.1
79.05476	21.0
81.03418	4.9
81.07042	50.5
83.04941	3.6
83.08599	11.8
85.02875	2.9
85.06508	2.1
91.05471	26.5
93.07034	43.4
95.04967	7.2
95.08595	85.0
97.02919	2.7
97.06532	7.0
97.10166	5.0
105.07019	48.8
107.08581	49.9
109.06502	8.4
109.10147	37.8
111.08067	7.5
115.05448	2.6
117.06993	11.7
119.08568	50.8
121.06518	4.7
121.10133	41.9
123.08054	5.2
123.11687	18.3
125.09629	2.2
128.06232	4.0
129.06995	9.6
130.07787	3.7
131.08554	41.8
133.06473	3.1
133.10103	44.2
135.08022	3.8
135.11687	36.4
137.09680	2.5
137.13246	7.5
139.03981	3.2
141.06976	5.0
142.07776	10.1
143.08556	21.9
144.09375	3.7
145.10107	59.5
147.11687	35.5
149.09612	3.4
149.13237	13.6
154.07837	3.2
155.03436	2.4
155.08542	15.0
156.09332	9.2
157.10114	32.9
159.08093	5.4
159.11671	36.7
161.09618	8.2
161.13246	19.9
163.03996	3.0
163.14809	7.9
166.81427	2.2
167.08591	6.6
168.09317	3.3
169.10118	29.4
170.10890	10.2
171.11668	24.3
173.09563	7.9
173.13257	26.0
175.11200	2.6
175.14832	14.8
177.12617	2.8
177.16371	4.7
181.10127	9.0
182.10902	7.8
183.11694	13.9
184.12459	2.6
185.13246	19.7
187.11185	7.0
187.14798	21.0
189.12709	3.2
189.16371	26.4
191.14291	4.6
191.17920	100.0
193.10091	2.5
193.12262	3.2
195.11728	6.0
196.12469	8.7
197.13283	19.0
199.11145	2.9
199.14822	21.1
201.12767	6.2
201.16341	23.9
203.14256	7.3
203.17917	23.8
207.17372	2.7
209.13290	9.6
211.13106	3.8
211.14838	29.2
213.16440	4.9
215.14339	13.0
215.17944	7.3
217.15886	21.1
217.19502	7.6
223.14864	6.7
225.16344	3.9
227.14410	3.6
227.17987	6.1
229.15871	40.7
229.19441	4.6
231.17368	3.0
233.15327	3.0
235.14857	2.6
237.16306	4.9
239.18002	3.8
241.15897	3.5
241.19522	4.0
243.17355	4.5
247.16954	15.0
251.17958	4.8
255.17462	2.3
257.19052	2.7
263.17963	3.1
265.00241	2.9
265.19391	5.4
269.19052	7.0
269.41650	2.4
279.21021	3.9
281.18994	3.4
283.20575	3.7
289.17960	5.8
291.21399	2.4
293.22717	3.3
297.07626	3.7
297.22025	3.5
310.39825	2.2
311.23306	3.3
321.25803	6.4
325.24976	2.3
329.21155	3.3
329.24771	5.4
351.26910	5.1
389.32144	4.5
401.32108	15.4
407.33072	8.7
419.33066	54.7
437.34189	36.8
461.16391	2.9
461.34247	3.1
479.17096	14.5
479.35123	29.5
497.28156	6.9
497.36154	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	498.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05498	0.7
57.03420	0.9
66.57516	0.3
67.05498	3.3
69.03412	0.6
69.07053	1.3
70.06606	0.3
71.04975	0.9
71.63311	0.4
71.63661	0.3
72.54829	0.3
79.05476	0.9
81.03400	0.6
81.07049	5.4
83.04958	0.4
83.08595	0.4
85.02879	0.8
85.06509	0.6
87.04443	0.3
90.12482	0.3
91.05457	1.1
93.07027	1.9
95.04953	0.7
95.08588	1.0
97.02857	0.5
97.06541	0.3
99.04379	0.3
99.08118	0.3
105.07001	0.9
107.08586	1.1
108.04462	2.2
109.02857	0.3
109.10148	0.8
111.08049	0.4
117.06960	0.3
119.08537	0.8
121.10139	0.3
122.06042	0.7
123.11689	0.7
124.07572	0.7
127.03907	0.3
131.08507	0.6
133.10109	1.3
135.08101	0.3
138.05479	0.9
139.03902	1.7
140.07030	0.9
145.10048	0.5
146.05980	1.0
147.04404	0.4
148.03954	0.4
148.07550	0.8
149.13237	0.9
150.05467	0.3
151.03812	0.3
151.11082	0.5
157.10126	0.4
159.11681	1.4
161.13271	0.3
163.03912	0.8
166.05025	0.8
168.06531	3.6
169.10112	4.2
169.12169	0.3
173.06003	0.4
174.05487	0.9
175.14857	0.4
177.05431	0.4
177.12753	1.8
179.14316	1.1
187.13309	0.7
204.06564	0.7
206.08134	1.2
211.08638	3.6
211.12241	0.6
212.09442	1.0
213.10243	0.6
221.10654	0.7
222.09096	1.3
223.08653	0.6
223.12267	0.5
224.10870	0.6
225.10176	3.0
226.10893	0.4
227.08076	0.4
237.10266	0.4
238.10826	0.4
239.11748	6.7
240.08777	0.6
240.12506	0.5
241.09740	1.5
241.13347	0.6
243.15910	4.1
249.10329	0.7
250.08641	0.9
251.08157	1.1
251.11734	0.4
251.16373	0.6
252.08952	0.9
253.09750	3.6
254.10544	0.5
256.12057	0.4
257.13098	0.4
267.11279	7.9
269.12772	1.3
269.17459	11.8
284.11542	0.6
285.12427	0.9
295.10748	4.8
297.12170	0.7
299.10028	0.4
301.20081	1.2
313.11792	32.6
314.12256	0.5
323.10205	1.1
341.11276	3.7
355.12741	2.2
359.12402	0.9
373.13913	100.0
374.14316	2.7
458.33362	0.3
466.19650	1.8
480.21152	0.4
498.21579	0.9
498.28375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05471	0.4
57.03395	0.3
58.27152	0.2
60.06757	0.2
62.06065	0.4
67.05492	1.2
69.03391	0.4
69.07017	0.8
69.97565	0.5
69.97976	1.1
71.04965	0.4
79.05444	0.7
81.07037	1.6
84.07970	0.2
85.02877	1.1
91.05470	1.2
93.06985	0.6
94.06493	0.2
95.04933	0.4
95.08559	0.5
96.04385	0.3
97.02837	0.4
98.20788	0.3
105.06978	0.6
107.08504	0.3
108.04482	1.7
109.10035	0.4
116.98570	0.3
119.08498	0.4
121.10062	0.4
122.05973	0.7
123.11700	0.2
124.07514	0.5
127.03900	0.3
133.10048	0.8
134.05984	0.3
138.05452	0.6
139.03912	1.8
140.07022	0.9
145.10080	0.4
146.05911	0.9
147.04402	0.3
147.11684	0.3
148.07489	0.7
149.05904	0.2
149.13190	0.5
150.05338	0.5
151.11154	0.2
159.11627	0.4
161.09557	0.2
163.03886	0.6
166.04942	0.7
168.06544	3.0
169.10098	1.3
173.13240	0.4
174.05476	0.6
177.12708	0.4
180.06461	0.2
206.08142	1.2
211.08661	3.6
211.12262	0.9
212.09367	1.0
213.10132	0.7
221.10703	0.7
221.62073	0.2
222.09073	1.3
223.08621	0.5
223.12227	0.5
223.72163	0.2
224.11040	1.2
224.81290	0.3
225.10202	3.5
226.10965	0.6
227.08197	0.3
237.10001	0.2
238.10939	0.3
239.08063	0.5
239.11754	7.7
240.08731	0.4
240.12401	0.6
241.09636	1.0
241.13318	0.9
243.15837	0.6
249.10178	0.7
250.08711	1.1
250.10901	0.3
251.08165	0.7
251.11681	0.4
252.09006	1.1
253.09712	5.0
254.10410	0.8
255.11354	0.3
256.12051	0.3
257.12833	0.7
267.11267	10.6
268.09531	0.2
268.12073	0.4
269.12869	1.2
269.17389	1.5
280.08508	0.4
281.09207	0.7
283.10626	0.4
284.11639	0.6
285.12277	1.4
295.10715	5.4
296.09140	0.3
297.12271	0.4
301.11749	0.4
313.11771	38.5
314.12210	0.7
315.12915	0.3
323.10168	0.6
327.13287	0.5
331.74176	0.3
341.11301	4.8
349.15775	0.2
355.12958	1.7
359.12335	1.2
373.13898	100.0
374.14313	2.5
434.17279	0.2
466.19766	0.9
498.21432	0.5
498.28235	0.3
499.19226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69294	0.7
55.05511	4.2
57.03428	4.1
57.07062	0.9
61.02908	2.0
65.03935	0.8
66.62670	0.7
67.05495	21.6
69.03438	0.9
69.07054	4.8
69.55641	1.7
69.56062	4.1
71.04989	4.7
73.02898	1.6
73.06538	0.8
79.05488	7.4
81.03395	1.1
81.07050	34.8
81.86799	0.6
83.04979	2.2
83.08599	3.7
83.80759	0.6
85.02904	3.3
85.06543	4.8
85.76793	0.6
86.11603	0.6
91.03929	0.8
91.05479	7.5
91.45279	0.6
93.07038	13.0
95.04954	2.8
95.08602	5.3
97.02877	1.7
97.06528	4.1
97.10140	0.6
99.08072	1.4
101.19817	0.7
105.06991	3.9
107.08600	7.9
108.04475	3.7
108.76620	0.7
109.06526	1.0
109.10125	3.6
111.04453	0.6
111.08056	1.2
113.05968	0.7
117.07030	4.1
119.08572	1.9
121.10120	2.6
122.05971	0.8
123.04408	1.6
123.11682	5.4
124.07592	2.0
131.08566	3.9
133.10123	9.0
135.08041	1.4
135.11694	2.3
137.05925	1.0
138.05598	0.6
139.03877	4.0
140.07050	0.9
145.04959	0.9
145.10143	0.9
146.06000	2.1
147.11697	0.9
148.07614	0.8
149.13252	7.2
151.11153	3.1
159.11681	15.9
161.05949	0.7
161.13216	1.4
163.03928	1.5
164.72937	0.7
166.04942	0.7
167.07085	1.7
168.06544	4.9
169.10109	1.8
173.05945	1.1
174.05482	1.8
177.05473	0.8
177.12737	21.0
179.14301	5.1
183.11707	0.7
187.13213	4.2
195.13803	3.0
204.06578	1.8
206.08125	2.8
211.08655	5.2
211.12204	0.8
212.09344	1.4
213.10306	1.1
213.14815	1.3
221.10771	0.8
222.09181	1.2
223.08618	1.0
224.10892	1.5
225.10246	5.3
233.15353	1.0
239.11737	8.9
240.08922	1.2
240.12561	1.1
241.09761	1.6
243.15903	24.8
250.08548	1.2
251.08167	0.8
251.16391	9.2
252.08942	2.0
253.09688	6.5
254.10320	1.0
257.17453	1.8
267.11273	10.8
268.11896	0.8
269.12769	2.3
269.17459	71.4
270.10513	0.7
281.09122	1.2
283.10706	0.9
284.11566	0.8
285.12305	0.9
295.10733	6.9
297.12289	2.8
299.10110	0.9
301.20032	14.6
302.20596	0.8
313.11765	41.3
314.12228	1.6
323.10229	1.3
341.11276	14.5
355.12921	2.3
359.12384	3.0
373.13913	100.0
374.14172	3.9
431.97305	0.8
445.24292	6.2
448.18683	0.7
449.03323	0.7
450.93719	0.7
466.19644	6.6
467.19559	0.7
480.21310	1.5
481.18616	1.6
498.22440	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	498.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05474	1.8
55.05715	0.4
57.03428	6.2
57.07043	0.6
58.06593	27.5
59.07376	9.1
60.07877	0.7
60.08155	9.7
65.03873	0.4
67.05504	5.8
69.07051	2.5
70.72207	1.5
73.02908	0.6
75.04477	3.2
79.05486	2.7
81.06640	0.5
81.07047	5.4
83.04950	0.6
83.08598	1.1
85.02901	2.6
87.04453	4.8
89.01726	0.4
91.05462	1.1
93.05485	0.8
93.07019	1.6
95.08620	2.7
97.06521	0.6
105.05476	1.1
105.07006	1.2
107.08566	1.4
109.10106	0.8
113.05908	0.5
119.08540	0.7
121.10146	0.9
123.07946	0.4
131.07071	2.0
131.08699	0.5
133.10075	0.5
135.11685	0.4
137.06470	0.5
144.10172	8.5
149.13196	0.6
162.11246	4.6
236.14899	100.0
237.15355	0.6
269.17578	2.0
277.41711	0.5
359.08078	0.5
463.30347	1.3
480.36768	28.4
481.37091	0.7
498.37854	94.0
499.38257	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
55.95545	1.1
56.16798	1.0
57.07069	35.1
69.07066	1.7
69.53860	9.4
71.08624	26.5
73.06540	5.5
83.08615	2.6
85.10176	21.0
87.04440	2.3
89.06021	100.0
97.10166	2.7
99.11734	4.9
105.44102	1.2
107.07054	4.3
108.67825	1.2
117.09102	5.1
124.20252	1.1
130.08627	4.9
133.04469	1.3
133.08591	52.0
135.10184	1.3
142.90601	1.4
155.17915	4.4
166.92065	1.4
177.11200	23.0
181.93195	1.3
195.12230	1.2
199.20549	4.6
216.42226	1.1
221.13797	2.9
239.14828	2.2
240.23212	2.5
243.23184	13.7
283.17599	3.2
287.25726	8.7
327.20126	14.3
393.31958	1.9
481.37296	27.8
498.36356	2.1
499.34335	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48939	0.7
58.99853	1.7
69.03395	1.2
69.92364	4.6
69.92752	2.0
70.64057	0.9
77.00891	2.0
82.99854	2.5
94.99879	1.3
97.02877	1.9
98.97547	2.4
101.00866	9.4
102.62168	0.9
102.74670	0.8
103.02417	4.9
109.02821	1.7
113.00852	3.2
116.36603	0.8
119.01907	33.9
120.01942	1.2
120.17173	0.8
121.03440	2.9
127.02400	7.9
129.03923	1.3
131.00331	0.9
131.01897	20.1
133.03441	8.5
135.88991	0.8
137.02968	6.0
139.02350	2.6
142.03464	1.8
143.01886	23.3
144.55478	0.8
145.03450	55.4
146.03535	1.4
147.01366	3.9
147.05032	1.9
149.01236	1.9
149.02954	5.3
151.04503	5.0
154.03500	1.0
155.01871	26.8
157.03448	21.8
158.99751	0.8
159.01297	0.9
159.04974	1.9
161.02946	36.5
162.03090	1.4
163.04500	10.3
167.01889	12.0
168.05078	1.9
169.03427	5.6
171.01382	7.6
171.05038	4.9
173.02948	64.1
175.04518	12.2
178.02711	0.9
179.01842	3.6
181.03381	1.4
183.01346	1.7
183.05104	1.0
184.04642	1.5
185.02936	57.5
186.03091	1.4
187.04518	10.9
189.02415	9.5
189.05986	1.7
191.02042	1.0
191.03926	3.2
193.01910	1.4
196.04605	2.4
197.02946	21.7
199.00836	3.0
199.04558	5.9
201.02400	1.6
201.06042	3.2
203.03998	19.3
208.04482	1.8
209.02966	3.2
211.00717	0.9
211.04448	3.0
213.02498	0.9
215.03964	11.4
215.43951	0.9
217.01923	51.4
217.05501	4.5
218.02010	1.9
219.01746	1.3
221.05139	5.7
227.04021	10.4
229.01910	10.8
229.05386	1.3
235.02982	26.7
237.02686	1.4
239.04092	2.1
245.05051	100.0
246.05261	2.4
247.02989	13.1
247.06572	3.1
253.03976	3.1
257.05011	13.3
258.04657	1.6
259.02930	1.2
261.02756	1.3
263.06116	13.4
265.03928	3.1
273.08386	1.3
275.06085	15.7
277.04037	20.6
277.07281	1.9
293.07095	3.7
295.05243	2.0
295.08664	8.3
301.04028	11.3
305.07153	12.6
307.09055	1.0
319.05087	29.0
335.08221	5.9
337.06140	42.6
337.09723	2.3
365.09280	12.9
383.10037	1.4
439.12857	10.2
454.39722	1.0
499.11310	49.5
500.11447	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
57.03430	0.4
61.02926	0.4
65.03936	0.4
68.99783	0.4
69.03410	1.1
70.06580	0.7
70.31154	0.7
70.31542	0.9
71.04985	1.7
73.02909	0.4
74.28654	0.3
74.49033	0.3
79.05484	0.7
81.03406	0.5
81.07026	0.6
85.02893	3.3
86.09686	0.4
91.05466	1.3
93.07015	0.6
95.08588	0.4
97.02880	1.0
105.07010	0.8
107.08588	0.8
109.02853	0.4
111.04436	2.6
112.65975	0.3
118.14267	0.3
119.08578	1.1
121.06531	0.5
126.09137	2.5
127.03883	0.6
129.07039	0.4
131.08542	0.4
133.10150	0.7
139.03889	4.8
141.07018	0.3
143.08524	0.5
145.10101	1.0
147.04399	1.2
147.11670	0.6
150.05518	0.4
153.01779	1.4
157.10167	0.7
159.11742	0.8
163.03900	0.4
163.07484	0.3
166.04939	1.7
171.11713	0.3
173.13216	0.5
175.03668	1.1
181.04951	1.2
185.04308	0.6
187.14795	0.6
189.12785	0.5
194.04514	1.1
201.12686	0.5
203.05307	1.2
212.05505	0.4
241.16071	0.3
259.07898	1.5
273.03931	0.4
283.10828	0.4
301.11819	1.0
319.04468	9.4
319.12726	1.8
329.03165	0.3
337.08987	0.8
345.05969	0.5
347.09454	11.2
439.06693	0.4
451.28217	0.5
499.14197	100.0
500.14600	3.0
507.02679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
61.02896	1.2
65.03928	4.6
69.03416	2.1
70.06583	2.6
70.29893	2.8
70.30297	2.2
71.04987	3.0
81.03411	1.2
81.07022	1.5
85.02899	8.3
91.05481	5.3
92.05004	3.8
93.03413	3.2
95.08611	2.5
96.08121	3.3
98.21516	1.0
101.17320	1.2
105.07012	2.0
105.23628	1.0
109.06492	1.1
109.10139	1.6
111.04428	16.6
120.04475	1.3
122.05983	1.1
124.07545	2.6
126.09141	8.7
127.03934	1.8
129.05467	1.2
131.08525	1.0
135.04370	1.2
137.02295	1.8
138.09129	3.1
139.03891	33.8
143.08566	1.4
145.10080	2.3
147.11633	1.2
148.03976	1.8
150.05473	1.9
151.11246	1.2
152.07050	27.0
152.08260	1.9
152.24460	1.0
153.01814	11.9
157.10091	1.4
159.11610	1.6
165.01894	2.6
166.04988	49.7
169.12242	1.1
173.13257	2.2
175.07639	1.3
176.03418	8.2
179.03362	1.4
181.04948	6.8
182.04480	9.8
183.11641	1.0
185.07024	1.0
185.13164	1.5
187.14844	1.4
189.12643	1.5
194.04520	4.7
195.11819	1.0
199.08621	1.6
200.10600	2.0
205.01198	1.4
211.08638	1.4
212.09224	1.3
215.08125	1.6
217.04854	3.0
225.10136	1.5
227.11737	5.3
228.10184	2.6
233.09193	2.5
240.08963	2.0
241.09654	1.2
243.11090	1.3
245.04385	2.0
253.09645	3.1
255.11324	3.1
257.09216	2.1
259.07135	2.1
261.12195	1.6
271.10754	9.9
272.09393	1.2
272.18878	1.3
273.03928	2.9
273.12262	4.2
283.10767	38.8
283.13965	2.2
284.16525	1.2
289.11832	7.0
290.04074	1.1
290.59238	2.0
301.11810	29.9
305.09650	2.2
319.04501	76.8
319.12823	100.0
320.04736	3.5
320.13016	2.0
329.02930	4.2
337.13797	2.0
347.03702	1.5
389.04779	2.7
439.06375	1.7
453.08002	1.7
499.08405	7.8
499.16461	1.0
500.09055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86058	0.5
55.05497	0.7
56.05039	0.6
57.03430	0.7
61.02916	0.6
65.03923	2.0
67.05490	0.7
69.03427	2.5
69.86508	2.8
69.86919	1.1
70.06586	0.9
72.93755	0.7
79.05471	0.9
80.04128	0.5
81.03394	0.7
81.06998	0.8
83.04963	0.5
83.78510	0.5
85.02886	3.8
90.94839	0.7
91.05467	0.7
92.04987	3.4
93.07019	0.7
96.08122	2.9
97.02852	1.4
97.06503	0.5
98.97578	0.7
105.06987	0.5
109.02859	0.7
109.06499	0.5
115.96124	0.5
116.98640	1.1
119.04893	0.6
122.05989	1.2
123.04436	0.6
124.07591	3.3
126.09132	9.5
127.03926	0.9
137.02379	0.8
138.05460	0.9
138.09140	2.6
139.03882	1.5
143.08534	0.6
147.04404	3.2
148.03920	1.3
150.05473	1.8
152.03331	0.5
152.07050	26.3
153.01840	0.8
155.03328	0.8
157.10094	0.9
163.03810	0.7
164.03300	0.6
166.04980	45.6
167.03427	0.9
171.11703	0.8
173.07069	0.7
175.52754	0.6
176.03375	7.4
178.05110	0.5
182.04482	7.3
185.08437	0.6
194.04440	5.1
198.07693	0.9
199.08646	1.9
200.10661	1.9
207.01054	1.3
209.02771	0.5
209.10719	0.7
211.08583	0.9
212.09375	2.3
213.10048	0.7
215.05281	0.7
215.08041	0.7
217.06763	1.5
225.10136	1.3
227.08098	0.8
227.11734	3.9
228.10239	2.5
229.13301	1.2
233.09169	2.6
237.02716	0.7
240.08734	2.8
241.09683	1.8
242.10378	1.0
243.11229	0.8
245.09109	1.0
253.09637	3.3
254.08179	0.9
255.11183	4.2
257.09192	2.3
257.12808	1.6
259.07013	2.6
261.12311	2.0
270.09991	1.0
271.10724	9.1
272.09125	1.6
273.09064	1.0
273.12320	2.7
275.07199	1.6
283.10733	39.6
288.11084	1.0
289.11792	7.6
293.08325	5.6
301.11792	30.4
302.12164	1.0
307.06357	0.7
318.34775	0.5
319.12842	100.0
320.13092	2.0
337.07339	2.6
337.13925	1.9
379.08264	9.0
391.08282	1.5
400.99539	0.5
481.17883	1.2
499.12701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03934	1.8
55.01857	1.7
55.05503	5.1
56.42075	0.8
57.03415	1.5
61.61725	0.9
65.03924	1.9
67.05497	12.3
69.03423	16.6
69.07056	6.9
70.43716	1.0
71.04991	2.6
71.61499	1.7
75.02348	0.9
79.05486	13.7
81.03418	2.6
81.06567	1.7
81.07044	23.1
83.04967	3.3
83.08607	3.0
84.63490	1.0
85.02888	3.6
85.06499	1.1
86.09700	1.1
90.87936	0.9
91.04948	1.6
91.05470	18.7
93.07032	27.3
95.04954	11.0
95.08033	1.8
95.08597	23.9
97.02876	4.1
97.06530	5.9
98.21131	1.0
99.04457	7.4
99.08041	1.5
103.05452	1.5
105.07016	43.6
107.04942	1.6
107.08582	28.4
109.02862	1.1
109.06486	5.9
109.10138	10.9
111.04433	2.2
111.08076	2.0
115.03885	5.8
115.05447	2.9
115.07545	2.7
117.06995	12.1
119.04969	1.8
119.08565	53.7
121.06509	7.0
121.10122	20.5
123.04414	3.4
123.08050	4.7
123.11681	3.9
125.09605	1.1
127.03883	2.3
128.06166	4.4
129.06981	10.3
130.07800	2.3
131.04898	1.3
131.08553	33.6
133.06476	3.7
133.10123	25.3
133.11024	0.6
135.04350	1.3
135.08005	6.3
135.11670	7.6
137.05960	5.2
137.09602	3.4
137.13257	1.1
139.03879	15.3
139.07526	1.2
141.07008	3.4
142.07755	5.7
143.08537	23.2
144.09312	3.4
145.06474	3.0
145.10104	46.3
147.08047	7.3
147.11671	18.8
149.05956	2.6
149.09583	5.6
149.13229	11.0
151.07547	2.3
151.11195	1.2
153.06976	1.2
154.07776	1.2
155.08521	9.6
156.09332	7.0
157.06479	1.2
157.09042	0.6
157.10109	28.3
158.10886	4.4
159.08066	5.9
159.11668	41.4
161.05952	1.0
161.09593	8.4
161.11917	1.5
161.13242	14.0
163.03847	1.8
163.07558	3.5
163.11159	3.7
163.14789	4.3
165.05545	1.7
165.06999	1.2
165.12735	1.9
166.07745	1.9
167.07027	2.6
167.08498	1.6
168.07600	0.9
168.09360	3.7
169.10103	12.7
170.10913	5.1
171.08043	1.7
171.11676	31.1
172.08795	1.6
172.12375	1.4
173.09604	7.3
173.13242	32.8
175.07480	2.3
175.11189	8.6
175.14790	9.9
177.05469	2.6
177.09050	1.8
177.12733	4.3
177.16371	1.5
178.07576	1.2
179.08591	1.0
181.10112	6.6
182.10915	3.1
183.11679	21.2
184.12462	1.6
185.09669	3.2
185.13239	22.4
186.10461	1.4
187.11197	10.1
187.14787	30.3
189.05444	1.2
189.09184	1.4
189.12712	29.5
189.16357	4.2
190.13057	1.2
191.07030	1.0
191.14288	5.7
193.10146	1.8
195.11681	6.1
197.13232	11.3
199.11156	28.0
199.14789	19.8
201.11031	0.6
201.12730	18.4
201.16339	11.1
203.14331	11.1
203.18071	1.3
205.12193	15.7
205.15855	2.7
207.11777	2.1
207.13564	1.1
208.83559	0.9
209.13306	4.5
209.15089	1.0
211.14778	6.7
213.12773	6.0
213.16400	4.0
215.10977	0.9
215.14288	10.1
215.17766	1.0
217.12209	39.9
217.15857	3.9
219.13788	6.8
221.13220	2.3
221.15372	6.2
223.14783	3.5
225.12659	1.6
225.16333	4.1
227.14288	3.2
227.18007	2.3
229.15858	3.4
231.13757	4.7
231.17340	1.2
232.43384	1.0
233.15288	7.9
235.13054	1.6
235.15042	1.3
237.16383	2.0
239.14345	1.3
239.17924	1.8
241.15793	1.4
243.13684	2.2
245.11557	4.8
245.15375	5.1
247.13190	1.5
249.14612	1.1
251.17706	1.5
255.17323	1.3
257.15408	1.5
263.12741	44.1
275.17734	1.1
277.14462	1.3
301.18817	1.1
315.20920	1.0
318.03745	1.4
319.13052	1.2
329.17755	1.2
331.19193	1.1
360.83994	1.0
361.25336	1.2
371.27054	1.2
387.26752	3.9
389.28506	4.5
399.26563	1.7
401.28149	1.5
405.27838	8.7
407.29370	3.9
417.27765	6.2
419.29456	2.4
423.28888	1.6
425.26801	3.2
433.27420	7.3
435.28964	6.7
437.30621	1.9
445.27390	3.1
451.28387	18.1
453.30078	4.1
455.31665	4.3
463.28369	11.9
469.29370	2.1
481.18445	1.2
481.29462	17.7
499.30515	100.0
500.30884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	11.7
63.01996	2.5
67.05479	12.6
69.03404	13.0
69.07057	7.3
71.13533	4.7
79.05481	16.2
81.07045	25.6
83.08604	5.0
85.02879	5.8
85.14684	2.5
91.05470	27.1
93.07030	32.4
95.04961	9.0
95.08592	37.2
96.10640	2.6
97.02869	9.1
97.06499	4.8
97.10141	2.7
99.04433	2.9
105.07014	54.3
107.04890	4.5
107.08589	41.2
109.02814	2.9
109.06476	8.3
109.10163	16.4
111.08049	3.4
113.05914	2.8
115.03932	26.8
115.05382	2.6
117.06999	15.3
119.08569	89.7
121.06503	15.6
121.10126	21.3
123.08079	5.2
123.11662	4.0
127.07587	3.2
128.06223	6.4
129.05557	2.6
129.06972	12.3
130.07718	3.0
131.08551	50.4
133.06445	4.3
133.10114	39.7
135.08022	10.3
135.11662	6.9
137.05986	4.9
137.09573	3.5
139.07562	3.1
141.06950	4.6
142.07770	6.5
143.08533	31.4
144.09317	7.8
145.06448	6.4
145.10114	100.0
147.08046	18.2
147.11671	25.3
149.09554	5.4
149.13235	16.1
151.07483	5.3
155.08565	12.2
156.09331	15.7
157.10101	44.0
158.10872	7.8
159.08005	13.5
159.11676	75.0
161.09631	20.2
161.13231	16.3
163.07503	12.3
163.11183	8.4
163.14783	8.0
168.09367	6.4
169.10101	12.5
170.10880	13.9
171.08073	6.7
171.11668	44.9
173.09593	10.4
173.13234	57.1
175.11174	12.8
175.14807	15.4
177.09117	6.3
177.12743	10.5
180.09299	3.4
182.10912	3.5
183.11638	31.5
185.09564	5.4
185.13228	48.9
187.11179	21.1
187.14803	81.8
189.12753	41.1
189.16444	13.5
189.18095	3.0
191.10594	3.1
191.14296	6.2
195.11674	8.4
195.33847	2.5
197.13246	14.7
199.11137	20.0
199.14798	55.4
201.12718	34.1
201.16330	43.0
203.10628	3.1
203.14259	9.1
203.17924	5.1
205.12212	56.0
207.13850	2.8
209.13239	4.6
211.14761	9.9
213.12682	12.7
213.16374	11.3
215.14235	19.1
217.12160	11.4
217.15866	10.2
219.11856	5.0
219.13725	21.1
221.15541	3.4
223.14857	3.3
225.16370	5.1
227.14351	6.2
227.17947	4.4
229.15820	4.9
231.13734	9.5
231.17319	3.3
233.15396	15.6
239.17950	4.2
241.15808	3.4
245.15349	14.8
247.16861	4.2
253.14211	2.9
253.19522	3.1
255.21074	3.6
263.12726	9.0
267.15936	4.1
295.24258	2.9
323.20227	3.3
360.80948	3.3
371.27060	4.2
377.05060	2.6
387.26700	12.4
389.28448	14.7
399.26782	6.5
401.28748	3.1
405.27780	18.0
407.29349	10.1
415.25909	3.6
417.27789	7.7
419.29272	6.2
433.27429	24.1
435.28860	13.8
437.30832	3.5
445.27151	6.8
451.28409	33.7
453.29715	9.1
455.31332	13.9
463.28271	15.1
481.29550	15.3
499.30508	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	5.2
55.01858	6.8
55.05500	13.0
57.03411	3.0
57.07041	3.7
65.03909	3.5
67.05486	16.3
69.03423	22.4
69.07061	15.0
69.90041	15.4
71.04971	4.7
71.48100	2.7
75.55952	2.9
79.05470	17.3
81.03389	7.2
81.07051	30.6
83.04956	6.1
83.08646	4.3
85.02886	9.5
85.06547	6.1
87.04465	4.2
90.88222	2.7
91.05466	36.5
93.07038	32.3
95.04948	12.0
95.08593	36.4
97.06526	7.8
99.04446	8.1
99.08096	7.3
105.07011	58.0
107.04920	4.8
107.08585	39.1
109.02871	7.9
109.06499	8.5
109.10133	17.4
111.04451	6.5
111.08062	6.4
115.05449	5.2
117.07027	15.3
119.08571	100.0
121.06483	12.1
121.10111	26.0
123.04397	21.0
123.08015	8.9
123.11678	5.9
125.05993	4.4
125.09613	3.2
127.03928	6.9
127.07571	3.8
128.06189	6.3
128.52721	2.9
129.07019	14.0
130.07765	6.1
131.04893	3.4
131.08540	49.4
133.06467	5.6
133.10117	40.9
135.08046	10.8
135.11696	12.2
137.05962	10.1
137.09572	5.9
139.03888	30.9
141.06973	7.5
142.07765	12.3
143.08534	26.2
144.09303	5.3
145.06447	8.3
145.10101	82.4
146.06001	4.8
147.04408	6.0
147.08063	15.2
147.11671	28.6
149.05891	4.4
149.09596	6.8
149.13228	11.0
151.03914	4.1
151.07486	4.9
155.04897	3.3
155.08507	15.7
156.09332	15.2
157.10115	45.5
158.10831	7.3
159.08026	10.8
159.11679	59.0
161.09604	15.2
161.13248	19.7
163.03889	12.9
163.07538	8.8
163.11156	6.5
163.14818	4.7
165.05432	8.1
165.06921	3.4
168.09361	5.1
169.10115	21.8
170.10860	11.5
171.08080	4.1
171.11671	39.9
173.06024	4.0
173.09604	10.2
173.13231	50.5
175.07574	4.4
175.11159	12.1
175.14766	16.8
177.05498	11.1
177.09064	4.7
177.12711	8.7
177.16331	3.3
179.10626	3.2
181.10124	6.6
182.10837	4.8
183.11693	34.0
184.12450	3.8
185.09595	3.5
185.13229	48.1
187.11147	8.8
187.14807	60.9
189.05510	4.0
189.09059	3.8
189.12735	35.3
189.16376	9.8
191.10501	4.0
191.14275	10.3
193.10101	3.5
193.12003	4.0
193.15862	5.5
195.11681	7.7
197.13213	16.5
199.11133	8.2
199.14806	42.4
201.12700	17.7
201.16353	28.1
203.14200	18.6
203.18022	3.6
205.12253	11.4
205.15904	6.1
206.10909	3.7
207.11787	3.4
207.13765	5.0
209.13206	7.6
211.14757	7.5
213.12737	10.7
213.16322	13.7
215.14308	15.4
215.17912	4.4
217.12318	4.6
217.15849	4.9
219.13742	17.3
221.13330	3.7
221.15294	5.2
223.08635	4.0
223.14874	4.6
225.16347	6.1
227.14246	7.4
227.17821	3.8
229.15811	4.1
231.13777	12.3
233.15335	12.3
239.17973	4.4
245.15341	8.7
247.13268	3.5
247.16989	3.3
249.14676	4.6
251.08237	8.4
259.17044	4.1
269.09344	3.8
270.17828	7.8
279.07513	9.1
295.07047	3.0
297.08667	5.4
337.29541	2.8
338.11081	4.1
347.09549	3.4
347.14523	2.8
356.12381	21.0
383.26828	3.6
384.11917	12.0
387.26926	4.7
389.28412	4.3
399.27103	4.4
405.27838	8.3
417.27631	9.2
419.29352	5.1
433.27179	7.9
435.29138	18.5
437.30707	5.1
445.16107	3.3
445.27448	8.7
451.28241	6.8
453.29828	10.5
463.17349	11.4
463.28201	10.0
467.19949	3.4
481.18179	9.6
481.29694	16.0
499.20770	14.7
499.30954	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	499.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05500	11.3
57.03410	2.7
57.07059	3.0
59.04985	1.7
67.05497	14.1
69.03426	19.2
69.07066	12.2
70.71548	6.4
71.01328	1.8
71.04974	3.5
71.95448	1.9
79.05486	16.3
81.03397	4.7
81.07043	33.4
83.04967	5.5
83.08588	6.9
85.02879	9.2
91.05465	25.5
93.07033	27.7
94.07359	1.8
94.46641	1.9
95.04942	10.8
95.08029	3.4
95.08591	42.7
97.02888	14.2
97.06494	6.0
97.10143	1.9
98.97542	1.6
99.04413	2.2
103.05439	2.8
105.07011	56.1
107.04922	6.3
107.07848	2.5
107.08576	42.6
109.02870	2.8
109.06486	12.6
109.10164	17.3
111.04409	4.3
111.08070	3.8
115.03916	19.8
115.05410	5.0
117.07006	19.4
119.08562	90.8
121.06488	16.4
121.10137	24.9
123.04392	2.7
123.08054	6.5
123.11706	3.5
125.05956	2.6
127.03871	3.8
127.07513	3.0
128.06201	6.3
129.05475	2.1
129.06999	13.9
130.07755	4.5
131.08560	55.0
133.06453	8.1
133.10110	36.8
135.04396	2.7
135.08037	12.1
135.11659	14.2
137.05937	6.8
137.09579	4.1
139.03873	10.7
139.07497	2.6
141.06987	7.1
142.07736	9.5
143.08551	35.5
144.05623	1.6
144.09311	8.1
145.06465	8.1
145.10106	100.0
147.04317	1.8
147.08014	15.4
147.11671	27.5
149.05998	2.7
149.09550	4.3
149.13242	15.1
151.07509	5.7
151.11142	2.2
153.09084	2.0
155.08482	9.8
156.09322	18.3
157.06444	2.2
157.10114	52.9
158.10860	4.2
159.07980	11.1
159.11678	73.9
161.09602	15.7
161.13225	20.6
163.03958	10.4
163.07483	11.1
163.11143	6.4
163.14790	11.0
165.06944	1.9
165.09056	2.0
165.12694	3.0
167.08571	3.5
168.09288	4.3
169.10118	16.6
170.10910	11.8
171.07979	4.3
171.11678	39.4
172.08807	2.4
172.12486	2.7
173.09613	11.0
173.13245	54.6
175.07520	2.9
175.11166	15.7
175.14787	15.8
177.09079	7.0
177.12747	10.0
177.16333	3.7
180.09406	2.1
181.08672	2.3
181.10127	5.1
182.10884	4.1
183.11652	29.1
184.12439	3.3
185.09569	5.0
185.13242	43.8
186.10307	2.8
187.11192	15.8
187.14798	76.1
189.12711	30.5
189.16350	15.7
191.14273	7.7
193.10182	2.9
193.12219	2.4
194.10982	1.9
195.11652	6.9
197.13226	22.2
199.11096	12.3
199.14783	38.2
201.09378	1.9
201.12709	28.4
201.16344	33.1
202.54382	2.0
203.10643	2.5
203.14334	11.2
205.12196	50.9
205.15698	2.2
207.11749	3.4
207.13737	3.9
209.13234	8.9
211.11256	3.0
211.13058	2.5
211.14825	8.9
213.12711	11.0
213.16223	8.6
215.14285	15.7
215.17967	4.5
217.12199	9.1
217.15865	6.5
219.13690	15.8
221.13342	2.3
221.15324	2.5
223.14825	5.5
225.12679	3.6
225.16321	7.0
227.14429	3.7
227.17932	6.2
229.12218	2.4
229.15793	2.4
231.13760	7.9
233.13287	2.8
233.15338	13.4
235.14886	2.9
237.16373	3.2
239.17953	4.4
245.15372	15.7
247.16957	4.3
253.19458	2.7
257.15366	3.3
263.17896	2.6
265.15948	1.9
265.19391	3.4
267.15695	3.5
288.45203	2.0
337.21606	2.2
367.26514	2.7
387.26773	11.6
389.28503	12.1
399.26779	3.9
405.27753	20.8
407.29550	5.6
417.27927	12.4
419.29346	3.4
433.27380	22.3
435.29050	9.6
437.30472	5.6
445.27463	3.6
451.28293	37.6
453.30145	8.5
455.31537	9.2
463.28455	14.5
481.18234	7.2
481.29648	10.1
499.19684	16.7
499.31027	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	499.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	11.9
57.07046	2.6
67.05493	15.9
69.03412	12.5
69.07044	12.0
70.76242	7.8
71.64220	2.1
79.05479	14.9
81.07042	23.3
83.04972	4.6
83.08601	5.5
85.02900	9.5
85.06491	2.1
91.05460	24.5
93.07032	32.1
95.04958	8.4
95.08596	39.5
97.02856	12.1
97.06532	4.7
97.10146	2.8
105.07018	47.5
107.04952	4.6
107.08578	35.6
109.02864	2.5
109.06487	11.8
109.10131	12.6
111.04419	4.6
111.08064	2.8
113.05978	2.9
115.03912	22.9
115.05505	3.8
117.06995	13.9
119.08564	100.0
121.06480	16.3
121.10123	22.0
123.04394	2.8
123.08055	4.6
123.11685	5.3
125.05937	3.1
125.09653	2.5
128.06235	5.5
129.07004	15.2
131.07590	2.9
131.08559	49.4
133.06462	6.8
133.10112	36.1
135.08023	14.8
135.11693	9.2
137.05968	6.1
137.09605	3.0
139.03868	10.0
139.07524	2.6
142.07785	10.5
143.08533	29.8
144.09351	7.4
145.06480	8.8
145.10098	88.3
147.08020	16.4
147.10582	4.2
147.11662	28.3
149.06062	3.4
149.09607	8.5
149.13266	16.3
151.07533	4.2
155.07181	2.4
155.08501	9.5
156.09323	13.4
157.06517	3.0
157.10109	42.4
158.10887	3.9
159.08066	10.5
159.11667	66.1
161.09586	18.1
161.13283	18.3
163.03896	12.7
163.07535	15.2
163.11180	5.6
163.14807	9.5
167.08517	4.3
168.09309	3.1
169.10124	16.5
169.37689	2.5
170.10928	10.9
171.08041	5.3
171.11690	32.6
172.12622	2.8
173.09622	10.2
173.13226	54.3
175.11183	18.4
175.14842	9.4
177.09068	5.7
177.12732	9.2
177.16377	5.6
181.10110	5.4
182.10898	4.8
183.11652	32.2
184.12407	4.2
185.09622	7.8
185.13234	49.5
187.11206	19.2
187.14798	79.7
189.12717	23.4
189.14288	3.1
189.16289	13.5
191.14296	7.2
195.11708	8.9
197.13203	18.5
199.11116	16.2
199.14801	45.1
201.12704	30.7
201.16356	31.6
203.14294	8.3
205.12201	37.2
207.11792	3.6
207.13695	3.2
209.13210	5.8
211.14816	6.8
213.12679	8.5
213.16257	13.0
215.14392	14.0
215.18233	2.8
215.71187	2.3
217.12231	7.6
217.15895	7.3
219.13768	17.5
221.15353	3.1
223.14749	6.8
225.12688	2.8
225.16322	3.5
227.14250	4.0
227.17882	4.8
229.15845	6.4
231.13844	7.1
233.15277	14.4
245.15399	14.9
247.17000	3.0
249.14700	3.9
251.17949	4.2
257.15396	2.6
267.15952	4.6
305.18875	3.1
343.24091	2.5
371.27194	3.3
373.16257	3.1
387.26746	17.8
389.28296	11.4
405.27823	24.4
407.29611	8.2
417.27872	10.4
419.29370	6.9
433.27249	24.0
435.29068	12.5
437.30362	5.7
445.27441	3.8
451.28363	37.4
453.29977	9.9
455.31549	8.8
463.28568	19.0
481.18375	7.6
481.29376	9.9
499.19318	14.5
499.30881	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	499.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
54.01870	2.5
54.14436	2.5
55.01865	3.1
55.05511	14.8
57.03424	3.7
65.03928	3.1
65.09765	2.5
67.05503	17.2
69.03416	16.9
69.07061	30.2
70.07384	3.9
70.16584	12.3
79.05479	17.7
81.03430	3.2
81.07051	29.6
83.04964	3.9
83.08615	7.4
85.02901	15.5
91.05466	29.2
93.07027	31.7
95.04958	9.1
95.08597	41.3
97.02879	11.8
97.06512	8.0
98.21102	6.6
99.04443	4.0
105.06298	3.0
105.07010	58.0
107.04943	8.5
107.08571	44.7
109.02867	10.0
109.06496	9.7
109.10156	19.6
111.04422	17.2
111.08038	4.0
113.05958	3.7
115.03917	21.4
115.05451	4.5
117.07018	14.4
119.04938	5.7
119.08565	80.4
121.06501	16.0
121.10124	27.2
123.04393	5.3
123.06395	3.0
123.08098	3.5
123.11706	5.2
125.09621	5.5
127.03872	6.1
127.07560	4.1
128.06171	5.4
129.05521	3.6
129.06998	14.9
130.07779	4.9
131.08553	51.8
133.06470	10.5
133.10110	42.1
135.04410	7.2
135.08047	15.0
135.11638	12.9
137.02306	3.6
137.05946	12.2
139.03894	48.5
141.06981	6.9
142.07755	11.2
143.08556	33.8
144.09355	6.4
145.06436	5.2
145.10107	87.8
147.08028	18.9
147.11661	23.5
149.05936	2.7
149.09592	8.1
149.13208	12.4
150.05478	15.6
151.05904	7.0
151.07512	8.0
153.01819	20.4
155.07080	4.5
155.08510	13.1
156.09348	11.1
157.10117	53.0
158.10855	7.3
159.08026	10.0
159.11679	62.8
161.09619	19.8
161.13239	26.1
163.03891	3.1
163.07584	13.1
163.11157	6.5
163.14795	8.9
166.04858	3.4
167.05334	3.0
167.06976	4.4
167.08502	4.3
168.09277	4.1
169.10100	17.7
169.12163	3.1
170.10883	12.0
171.11674	43.9
172.12415	3.4
173.09615	8.9
173.13246	51.3
175.07475	4.6
175.11165	17.3
175.14784	11.8
175.46902	2.5
177.05540	4.7
177.09087	7.9
177.12766	16.3
177.16351	3.5
179.08490	2.9
179.14185	3.1
181.04991	3.9
181.10039	5.9
182.10876	5.9
183.11659	38.6
184.12454	3.3
185.13249	45.4
187.11221	17.7
187.14795	78.7
189.09068	6.6
189.12701	28.0
189.16368	12.6
191.10573	3.1
191.14314	7.8
195.11681	10.3
197.13248	21.5
199.11127	14.9
199.14801	42.0
201.12752	22.5
201.14342	2.9
201.14684	3.3
201.16338	27.4
203.12576	3.1
203.14168	12.5
205.12215	43.7
206.05571	3.0
207.13725	3.0
208.03668	5.3
209.13278	7.7
211.14763	14.0
213.12718	9.6
213.16309	11.7
215.14316	17.1
217.04991	3.5
217.12184	6.1
217.15836	8.1
219.02896	24.6
219.11949	3.1
219.13782	12.2
220.12173	3.2
221.13261	6.0
221.15245	4.8
223.10838	2.9
223.14836	8.1
225.16360	8.2
227.14308	5.6
227.17935	6.4
229.15903	4.9
231.13797	10.1
233.04419	10.3
233.15327	12.3
234.05371	3.6
237.16388	4.8
239.14426	3.4
239.17863	4.1
241.15756	3.4
243.13806	4.2
244.03607	7.7
245.04402	5.8
245.15382	14.9
247.16957	3.7
248.11859	3.9
251.17955	4.5
253.19400	3.1
257.15253	4.1
261.03830	5.0
273.04144	4.8
279.21100	3.1
289.03403	7.5
290.04227	7.2
301.03540	3.6
302.16812	3.8
305.22525	3.7
311.19885	2.9
317.02805	5.4
317.11234	3.1
318.03687	100.0
319.04407	53.1
319.11871	10.1
335.12463	13.3
336.12531	12.8
337.12854	34.5
367.26257	3.1
387.26669	16.0
389.28333	18.5
399.26767	6.8
405.27954	23.6
407.29749	12.4
415.26468	4.1
417.27814	13.5
419.29352	7.0
423.29300	3.4
433.27429	29.4
435.29010	17.0
437.30612	7.1
445.27271	5.4
451.28378	60.1
453.30103	16.5
455.31284	9.6
463.28201	26.4
481.29816	16.0
499.08685	72.5
499.20285	3.9
499.30508	14.9
500.08997	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	499.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.67402	2.4
55.01877	2.9
55.05498	13.5
56.96546	2.8
57.03421	2.5
67.05495	14.7
69.03423	19.7
69.07045	10.2
70.73957	7.3
71.04976	4.3
79.05505	18.4
81.03403	3.7
81.07049	28.4
83.04959	6.4
83.08608	4.0
83.71731	2.4
85.02893	12.3
85.06521	4.3
86.09677	3.0
88.59886	2.4
91.00805	2.5
91.05471	41.4
93.07029	38.2
95.04939	10.3
95.08592	39.3
97.02883	15.4
97.06522	8.0
97.10147	2.9
99.04433	3.2
103.05428	3.2
105.07021	56.2
105.07714	2.5
107.04928	8.5
107.08569	47.3
109.06505	10.5
109.10130	19.7
111.04424	4.8
111.08086	3.1
115.03926	16.9
115.05449	6.1
117.07005	18.1
119.08568	100.0
120.08122	3.6
121.06514	17.1
121.10148	23.4
123.04417	7.0
123.08064	8.1
123.11664	3.5
125.05977	3.0
127.03899	6.2
128.06287	6.2
129.05492	3.7
129.07030	14.6
131.08549	57.3
133.06477	9.9
133.10106	39.1
135.04332	3.5
135.08037	11.6
135.11708	12.8
137.05957	16.4
137.09579	5.6
139.03874	22.5
141.06885	2.6
142.07710	10.4
143.08548	35.4
144.09309	6.5
145.06448	10.6
145.10107	98.2
147.08066	18.7
147.11673	26.0
149.05957	3.8
149.09567	7.8
149.13249	11.6
151.03839	4.3
151.07530	5.9
155.08516	11.0
156.09279	14.5
157.06512	3.0
157.10104	41.9
158.07156	2.6
158.10907	8.4
159.08026	12.1
159.11684	72.0
161.05927	3.6
161.09596	20.5
161.13203	21.0
163.03883	3.5
163.07526	9.4
163.11186	6.7
163.14799	9.8
165.07002	5.3
165.09155	2.6
168.09366	7.7
169.10132	16.8
170.09662	2.9
170.10890	15.1
171.11647	41.8
172.08917	3.1
173.09645	14.2
173.13245	55.1
175.07515	3.4
175.11128	17.1
175.14783	12.4
177.09070	7.5
177.12709	15.5
181.10077	7.7
182.10909	5.3
183.11682	36.4
185.09647	6.4
185.13239	44.7
187.11165	14.3
187.14806	78.8
189.09142	5.2
189.12721	32.8
189.16373	15.1
191.10681	4.1
191.14287	10.9
193.10100	3.0
193.12083	2.9
195.11690	8.3
197.09589	2.9
197.13248	17.1
199.11191	17.3
199.14783	53.8
201.12724	32.6
201.16348	34.9
203.14351	9.5
205.12225	46.4
207.11748	4.0
207.13699	4.8
209.13246	9.2
211.14832	8.4
213.12743	9.9
213.16321	7.8
215.14246	16.8
215.17876	5.6
217.12206	8.3
217.15855	7.3
219.13751	17.3
221.15382	4.4
225.12807	5.5
225.16357	3.4
227.14395	5.0
227.17821	3.1
229.15895	4.9
231.13788	11.9
233.15361	11.8
235.17088	3.4
237.03032	2.8
237.16367	6.4
239.18002	4.9
245.15376	9.7
247.17033	3.5
251.17900	2.9
253.19440	4.0
257.15479	3.3
259.17029	3.4
275.93460	2.6
279.20700	3.0
351.23306	3.0
371.27313	4.2
387.26715	10.6
389.28455	13.7
399.26639	4.9
405.27942	23.6
407.29416	9.2
417.27646	8.5
419.29422	6.1
433.27313	19.5
435.28802	9.5
437.30457	4.7
439.05576	7.1
445.27277	3.4
451.28329	41.3
453.29846	8.5
455.31360	9.5
463.28284	16.2
481.29269	10.1
499.14539	4.5
499.21515	19.2
499.30435	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	499.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
53.47463	3.0
55.01867	3.4
55.05507	16.8
57.03434	4.1
57.07058	2.7
61.28304	2.8
67.05513	16.0
69.03417	16.6
69.07059	16.0
69.59299	6.2
69.59710	18.0
70.43402	2.7
71.04985	4.6
79.05477	23.5
81.03409	5.3
81.07053	46.2
81.61433	2.5
83.04966	5.6
83.08598	9.8
85.02886	15.2
86.09681	3.8
91.05463	33.9
93.07029	45.0
95.04956	10.8
95.08596	43.4
97.02882	13.0
97.06507	9.0
97.10156	5.0
105.07029	50.5
107.04948	8.6
107.08576	54.9
109.06522	18.4
109.10118	19.8
111.04413	6.4
111.08071	4.4
115.03915	16.2
115.05511	4.5
117.07013	18.4
119.04916	3.8
119.08571	98.9
121.06486	19.2
121.10122	30.7
123.04461	13.8
123.08067	11.1
123.11660	6.7
125.06006	5.5
127.03889	7.7
128.06227	8.0
129.06969	15.9
130.07761	3.4
131.04939	4.3
131.08546	56.1
133.06471	5.5
133.10127	43.1
135.08026	10.9
135.11671	12.1
137.05988	15.3
137.09567	3.9
139.03877	23.5
141.06990	4.8
142.07751	9.9
143.08549	39.2
144.09315	6.4
145.06458	7.0
145.10106	100.0
147.08009	14.2
147.11684	25.7
149.05887	3.3
149.09596	8.3
149.13277	13.2
151.03859	4.0
151.07481	8.5
153.06938	3.4
155.08569	10.2
156.09309	16.9
157.08916	4.1
157.10112	44.8
159.08023	10.9
159.11679	64.8
161.09625	15.4
161.13251	22.2
163.03899	8.2
163.07510	17.2
163.11150	13.0
163.14790	6.0
165.06987	3.9
165.12708	5.3
167.08464	3.2
167.10689	3.0
168.09293	4.4
169.10085	16.0
170.10880	12.4
171.08061	3.1
171.11671	42.8
172.12477	4.8
173.09644	10.0
173.13248	45.2
175.11192	15.9
175.14789	19.2
177.09099	9.5
177.12772	17.3
177.16350	6.7
178.13072	3.9
180.09424	3.4
181.10126	8.5
182.10875	7.2
183.11665	29.1
185.09581	8.1
185.13260	45.9
187.07567	6.2
187.11237	14.9
187.14806	59.0
189.05411	4.3
189.09050	5.4
189.12717	28.0
189.16400	12.6
191.14275	7.9
195.11687	13.5
197.13293	18.7
199.11172	10.6
199.14792	48.6
201.12781	19.1
201.16359	40.1
203.10536	4.2
203.14310	10.3
205.04988	3.4
205.12227	39.4
207.11606	3.2
208.12358	4.1
209.13312	8.8
211.13104	4.1
211.14919	6.1
213.12747	10.1
213.16347	11.5
215.14247	16.9
215.17911	4.1
217.12192	9.3
217.15816	8.8
219.13704	16.2
221.15306	5.4
223.14882	6.2
225.16292	6.7
227.17923	5.1
229.12279	5.1
229.15938	3.8
231.13805	11.9
233.15359	12.6
235.13072	5.5
241.19550	3.7
243.13686	3.8
243.15849	3.6
244.16493	4.5
245.15265	14.3
247.13300	2.9
247.16879	7.6
251.17915	2.9
253.19481	3.6
257.15369	3.6
269.17551	3.5
270.17712	9.9
345.21951	3.1
361.17017	3.5
374.14124	4.3
379.26401	4.7
383.21796	3.6
387.26779	12.1
389.28287	8.9
399.26736	6.9
405.27792	16.1
407.29825	7.6
417.27988	18.3
419.29208	7.8
423.29092	5.0
425.04199	3.4
433.27396	28.2
435.28888	19.4
437.30304	3.7
451.28482	27.4
453.29950	23.4
455.31390	11.3
463.17914	6.4
463.28159	16.8
481.18204	9.3
481.29498	19.5
499.19580	6.4
499.30954	17.6
518.40088	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	499.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36722	1.7
50.48737	1.8
52.61930	1.7
55.01862	3.6
55.05505	9.5
55.61185	1.8
57.03424	4.9
57.07064	2.7
58.39458	1.9
63.62202	1.8
65.03938	3.5
67.05495	13.6
69.03419	16.0
69.07066	10.2
70.06583	3.1
70.29263	4.6
70.29654	4.3
71.01347	3.0
71.04967	3.1
73.02892	1.8
79.05483	15.2
81.03428	4.3
81.07037	25.2
83.04965	6.1
83.08605	6.0
85.02886	14.5
85.06507	2.2
86.09720	1.9
91.05464	29.3
93.03384	2.2
93.06464	2.4
93.07030	29.7
95.04945	9.0
95.08593	41.2
97.02879	13.3
97.06510	5.0
98.21288	3.8
99.04431	4.6
103.05484	3.6
105.07018	49.6
107.04933	8.2
107.08582	40.5
109.02872	5.2
109.06503	12.7
109.10132	13.3
111.04424	16.9
111.08077	3.5
115.03916	20.7
115.05372	3.0
117.06988	21.1
119.04951	2.1
119.08564	90.2
120.06672	1.7
121.06491	17.2
121.10124	25.1
122.87775	1.9
123.04388	3.6
123.07142	2.1
123.08048	6.4
123.11675	3.2
125.05998	4.5
127.03898	5.7
128.06172	5.7
129.05493	3.1
129.07010	14.8
130.07747	3.6
131.08545	49.0
133.06470	8.0
133.10107	41.0
135.04411	8.8
135.08049	10.1
135.11696	13.3
137.05980	11.8
137.09532	3.2
139.03888	12.2
141.06956	3.1
142.07729	10.3
143.08542	35.7
144.09320	5.5
145.06462	8.7
145.10101	100.0
147.08040	17.3
147.11662	27.4
149.05936	3.8
149.09633	10.0
149.13248	13.5
151.07521	5.4
153.01791	3.3
153.07024	2.4
155.08507	11.6
156.09276	14.2
157.06512	2.3
157.10109	54.2
158.10899	7.3
159.08049	15.3
159.11667	73.4
160.08780	2.5
161.06013	2.3
161.09581	17.0
161.13263	19.5
163.03827	4.6
163.07524	10.3
163.11172	8.0
163.14813	8.5
167.07080	3.1
167.08507	4.1
168.09293	3.3
169.10085	17.2
170.10883	13.5
171.08055	4.4
171.11673	44.5
172.08739	2.9
173.09622	11.8
173.13245	56.2
175.07498	4.9
175.11140	14.7
175.14799	12.8
177.09094	5.7
177.12688	12.3
177.16429	3.1
181.08667	2.5
181.10121	5.4
182.10867	4.6
183.10197	3.7
183.11665	35.6
184.12466	3.4
185.09645	5.7
185.13225	48.0
186.10381	3.1
187.11179	19.9
187.14796	80.0
189.09067	5.2
189.12729	33.1
189.16321	11.5
191.10706	2.7
191.14302	7.1
193.10181	2.6
193.12277	3.1
195.11670	8.0
197.13188	18.2
198.10603	2.0
199.11159	13.6
199.14787	44.0
201.12694	28.7
201.16362	30.5
203.10538	2.8
203.14290	7.6
205.12195	47.9
207.11844	3.0
207.13736	3.5
209.13252	6.7
211.11282	2.1
211.14880	9.3
213.12662	9.6
213.16341	8.7
215.14342	12.7
215.17931	3.0
217.12225	5.8
217.15794	4.8
219.13739	14.5
221.13364	4.0
221.15401	3.6
225.16382	6.3
227.14252	4.4
227.17900	3.7
229.15862	4.8
231.13747	10.5
233.13316	2.8
233.15332	14.9
239.17851	4.4
243.13684	3.4
245.15327	14.0
247.16910	2.7
253.19397	2.6
257.15323	3.5
267.15674	2.6
269.18994	1.9
284.15765	3.2
289.05304	5.1
303.05011	3.7
318.03540	3.3
319.04373	8.3
351.22845	3.0
371.27368	2.7
387.26804	11.6
389.28433	14.0
399.26797	3.3
405.27841	18.0
407.29758	10.2
417.27853	10.2
419.29382	2.6
433.27277	21.6
435.29163	9.6
437.30267	7.2
451.28384	32.1
453.29904	11.7
455.31534	10.2
463.28131	12.2
481.29376	9.7
499.08743	14.0
499.20929	10.8
499.30429	15.0
500.08640	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83496	3.8
51.37244	3.3
55.01868	3.8
55.05492	11.6
55.57950	3.2
57.03439	4.8
62.35496	3.2
67.05498	20.8
69.03433	20.2
69.07052	10.0
70.06575	5.8
71.04984	18.5
71.61448	4.8
73.02940	3.4
79.05482	16.4
81.03423	4.7
81.07029	28.0
83.04961	5.7
83.08592	6.2
85.02896	35.0
85.06509	3.8
91.05456	26.7
93.07025	33.6
95.04962	14.2
95.08585	35.0
97.02877	15.5
97.06547	5.5
103.05518	3.8
103.60015	3.4
105.07005	58.9
107.04947	7.7
107.08568	43.6
109.02862	6.2
109.06497	13.7
109.10142	14.4
111.04426	7.1
115.03907	24.2
117.06979	18.8
119.08559	96.2
121.06486	17.5
121.10151	26.1
123.08039	8.4
123.11661	4.8
124.07562	4.2
125.05966	4.6
127.03879	9.6
128.06178	7.5
129.05472	8.5
129.06970	12.8
130.07776	4.3
131.08554	61.1
133.06490	8.6
133.10106	41.2
135.08011	8.4
135.11678	13.4
137.05972	8.2
139.07420	3.4
141.06972	4.8
142.07784	14.8
143.08560	32.0
144.09338	8.2
145.06360	3.4
145.10092	100.0
147.07977	19.0
147.11662	31.1
149.05977	4.5
149.09538	5.2
149.13242	11.2
151.07465	6.1
155.08456	8.8
156.09311	16.6
157.10097	54.7
158.10890	5.0
159.08069	10.7
159.11668	72.7
161.09573	21.3
161.13203	17.1
163.07549	13.5
163.11145	7.3
163.14813	12.8
165.06969	4.1
167.08461	4.0
168.09322	5.7
169.10104	15.6
169.15984	4.0
170.10887	14.0
171.11655	38.8
172.08772	4.7
173.09581	8.2
173.13269	52.8
175.11082	16.4
175.14789	15.1
177.09134	7.9
177.12721	14.4
177.16324	3.8
181.10109	9.0
182.10892	7.0
183.11630	34.5
185.09668	5.3
185.13240	49.3
187.11182	13.8
187.14787	74.0
189.09082	7.2
189.12779	26.8
189.16362	11.8
193.36874	3.6
195.11649	8.1
197.13242	17.4
199.11128	15.8
199.14760	46.8
201.12656	31.8
201.16393	30.2
203.14328	10.1
205.12206	45.4
205.15828	4.8
207.11722	6.1
207.13559	4.2
209.13283	8.2
211.14790	10.7
213.12672	8.5
213.16322	16.3
215.14326	17.5
217.12238	7.9
217.15918	11.2
219.13727	9.3
221.15135	5.9
223.14688	4.9
225.12831	4.0
225.16420	7.2
227.14253	6.4
227.17874	8.4
231.13928	3.9
233.15311	18.9
237.02760	3.6
245.15370	11.9
247.16953	3.8
251.17885	4.4
275.17914	4.2
291.20956	5.0
303.05124	4.8
319.12659	3.8
333.11777	6.4
365.25378	3.7
367.52914	3.8
373.78601	4.0
387.26724	16.9
389.28329	14.8
391.68872	3.7
391.83557	3.4
399.26791	4.1
405.28009	24.1
407.29614	8.7
417.27756	13.5
419.29129	5.8
433.27350	22.5
435.28760	11.1
437.30411	4.8
439.06155	4.2
445.27240	6.2
451.28372	58.7
453.30035	8.9
455.31396	14.8
463.28381	16.5
481.29221	11.8
499.21466	4.8
499.30246	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	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12757	2.3
53.03936	6.9
55.01864	8.9
55.05507	24.7
57.03432	25.1
57.07055	10.4
58.96203	2.5
60.13917	2.5
61.02921	73.9
67.05495	75.8
69.03425	37.5
69.07063	39.6
71.01372	5.5
71.04990	5.5
71.08630	2.9
71.61389	3.0
71.61823	3.0
73.02912	37.2
75.04493	4.9
79.05487	26.3
81.03418	21.9
81.07051	79.7
83.04984	8.3
83.08610	22.6
85.02898	64.2
86.09695	10.4
87.10038	4.3
91.03950	42.0
91.05459	19.5
91.91111	3.6
93.06524	3.9
93.07044	28.9
95.04976	3.5
95.08600	71.9
97.02888	60.3
97.06536	3.9
97.10163	12.4
99.04462	13.2
101.02365	13.5
103.03936	12.5
104.10747	15.8
105.07016	22.1
105.11081	6.5
107.08572	17.9
109.02872	12.5
109.06530	3.5
109.10149	30.9
111.04427	4.6
111.11713	4.4
115.03916	4.7
117.05504	5.2
117.07014	4.4
119.08569	19.6
121.10140	15.8
123.08020	2.7
123.11701	16.5
125.00022	4.4
125.09634	4.2
127.03901	27.2
129.05455	6.0
129.26123	2.7
131.08562	4.7
133.10112	14.8
135.11693	10.3
137.09651	3.8
137.13269	5.5
145.04961	10.5
145.10088	5.0
147.11694	11.5
149.13240	6.7
151.14783	3.6
159.06529	3.2
161.13284	6.4
163.14819	6.5
165.12708	3.1
171.06598	2.8
175.14825	5.3
179.14412	3.7
183.06563	6.2
184.07304	8.5
185.07657	5.7
186.07799	8.7
189.16460	3.0
201.07532	5.1
209.69449	2.8
219.08620	3.8
245.22672	12.7
263.23721	29.3
271.43811	3.4
311.25778	4.9
326.58368	2.9
327.83444	2.7
337.27325	100.0
338.27625	4.3
365.26712	2.9
371.25934	3.7
378.18478	2.7
407.27963	3.3
481.31827	10.6
499.32870	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	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.01859	4.3
55.05506	30.6
57.03433	26.2
57.07054	8.6
61.02634	3.6
61.02923	50.2
63.68948	2.1
65.03912	3.0
67.05498	80.8
69.03419	34.5
69.07063	34.8
71.01337	5.9
71.04975	7.6
71.08620	3.4
71.62769	3.8
73.02906	28.6
79.05482	33.7
81.03400	19.6
81.07047	97.6
83.04978	6.4
83.08628	18.9
85.02411	4.3
85.02892	54.2
85.06496	1.8
85.10187	3.0
86.93352	1.9
87.04447	2.9
91.03946	32.9
91.05472	21.5
93.07036	35.3
95.04941	9.6
95.08596	72.7
97.02892	44.1
97.06510	7.0
97.10151	11.9
99.04459	11.8
99.08072	3.6
101.02371	14.5
103.03938	9.8
105.07014	20.8
107.08570	21.9
109.02862	10.0
109.06512	3.4
109.10152	28.0
111.04411	3.5
111.08067	4.5
111.11738	2.2
113.09573	2.8
115.03908	6.2
117.05465	3.3
117.07008	3.9
119.08562	22.3
121.10133	20.8
123.11703	14.3
125.09640	2.7
127.03920	21.3
129.05467	7.6
129.06995	3.5
131.08574	9.9
133.10138	14.0
135.11646	11.0
137.09639	3.5
137.13242	4.7
139.11253	3.5
143.08525	5.4
145.04967	8.9
145.06329	2.3
145.10124	8.4
147.08104	3.6
147.11691	11.3
149.09688	2.2
149.13234	9.3
151.14786	3.1
153.12805	2.9
155.01033	2.5
157.10123	3.3
159.11707	5.1
161.13232	10.6
163.11194	2.7
163.14778	8.3
165.12666	2.6
171.11703	3.7
175.14853	5.2
177.16313	4.6
179.14305	4.0
183.06487	6.0
183.11667	2.5
185.13280	2.9
187.14792	4.4
189.16420	5.4
197.13257	4.2
201.07561	4.8
203.14214	3.2
203.18033	2.4
205.15973	2.7
217.15825	2.2
221.68668	2.5
227.12616	2.5
245.22658	8.7
250.77232	2.5
257.87003	2.2
263.23639	30.7
273.18436	3.9
275.23724	2.7
283.24033	2.1
291.19489	3.6
292.19775	5.5
303.79462	2.6
305.24832	5.3
321.24295	2.9
337.27328	100.0
343.26230	3.4
347.25830	3.0
365.26941	5.8
371.25580	6.2
407.28036	4.1
445.29407	5.3
453.29611	2.5
463.30472	4.4
481.31277	8.2
499.32599	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	500.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01860	2.3
55.05510	1.7
56.96555	2.8
57.03182	0.9
57.03431	4.9
57.18682	0.8
59.04977	1.3
60.04539	1.1
61.02922	10.4
61.41174	0.8
67.05495	2.1
68.99789	0.9
69.03069	1.7
69.03424	25.3
69.07073	1.1
69.70673	6.0
70.03754	1.1
70.06578	3.3
71.04978	3.7
72.08131	1.2
73.02902	4.5
76.02217	1.8
79.05476	2.7
81.03412	12.0
81.07034	3.2
82.03727	1.0
83.01365	1.0
83.08618	1.2
84.04514	0.9
85.02895	54.9
86.03236	1.6
86.09697	2.3
87.04464	6.2
87.77731	1.0
91.03948	4.6
91.05466	3.0
93.07021	3.3
95.08613	3.0
97.02881	23.4
98.97559	1.4
99.04443	4.6
105.07008	7.5
107.08573	4.6
109.02869	7.0
109.06534	1.7
109.10133	1.6
111.00794	2.1
115.03923	1.8
115.05440	1.2
117.06962	1.4
119.08578	7.5
119.57546	0.8
120.08936	0.9
121.06479	1.6
121.10117	2.7
123.08064	0.9
126.09145	1.0
127.03905	16.4
131.08562	5.5
133.06468	4.0
133.10143	3.0
135.08018	1.2
135.11699	1.2
137.02345	1.1
137.05986	2.1
142.07750	2.0
143.08540	3.4
145.04955	5.8
145.10078	8.6
147.08057	1.9
147.11636	2.6
152.07056	2.4
153.01823	6.4
153.07413	1.7
156.09268	1.4
157.10150	4.8
159.07922	1.1
159.11702	5.5
161.05928	4.9
161.09616	1.6
161.13220	1.5
165.01807	1.9
166.05022	6.7
167.05371	1.6
169.10054	1.8
171.11676	2.3
173.13217	4.1
175.11255	1.0
175.14740	1.7
176.03444	1.5
179.04825	2.2
183.11707	2.9
185.13306	4.2
187.14780	4.4
188.15138	1.1
189.12715	2.7
193.08612	2.6
193.12219	1.2
194.01669	1.1
197.13235	2.2
198.13684	1.0
199.11316	1.1
199.14742	4.3
201.12683	2.1
201.16364	2.1
205.12245	1.7
209.13167	1.2
213.16405	1.1
215.14397	1.5
217.04994	1.2
219.01614	1.2
219.13799	1.2
245.04280	2.2
273.03961	1.9
283.10675	2.5
284.11093	3.9
285.17020	1.9
290.12305	1.4
301.00049	1.5
301.11795	2.6
302.12198	2.7
308.09079	4.3
319.01334	2.8
319.04465	61.7
319.12570	7.1
320.04797	6.8
320.13165	14.4
337.02475	1.4
351.00430	1.0
356.98907	6.5
375.00137	7.0
389.28821	0.9
393.01239	100.0
394.01489	11.5
411.02316	57.3
411.07895	1.9
412.02695	5.7
416.02884	10.2
417.02283	1.4
419.04419	25.9
419.54547	7.4
434.03900	2.3
435.02417	5.6
435.29208	1.0
439.55545	1.7
451.28275	3.3
452.28735	1.9
459.02209	1.9
463.28018	1.7
477.04013	1.1
500.21387	1.5
501.03201	1.0
519.04504	15.6
520.04681	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.31861	0.3
55.01871	1.1
57.03416	0.7
61.02931	0.5
65.03934	4.3
67.05505	0.9
68.99795	0.7
69.03440	1.9
70.06593	1.0
71.01358	0.7
71.04980	1.0
71.63267	0.4
71.63715	0.4
72.77105	0.3
73.60510	0.3
81.03415	4.0
83.01270	0.4
83.05006	0.5
85.02891	6.0
86.09698	0.4
87.04472	0.4
91.05473	0.7
92.05012	1.0
93.03409	2.4
95.04970	0.8
97.02887	2.1
99.04435	0.5
107.01260	0.4
109.02875	3.5
110.06056	1.8
111.04431	24.6
116.98538	0.4
127.03907	3.5
137.02327	100.0
138.02672	0.8
139.03885	55.7
140.04230	0.6
145.04951	1.3
147.04355	0.8
147.61000	0.3
149.02280	0.3
155.03372	51.7
156.77554	0.4
163.03871	0.5
165.06863	0.4
166.04987	0.5
167.03383	56.3
177.00677	0.4
184.66423	0.4
185.04460	2.4
196.06067	0.5
208.06158	0.4
209.52681	0.4
258.06052	0.4
281.06442	1.6
299.07480	2.2
320.04910	0.4
321.05792	0.7
338.19415	0.4
371.84912	0.3
441.10251	0.7
483.41504	0.5
500.14355	4.2
500.24817	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	500.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31875	0.2
55.05517	0.3
56.05019	0.4
58.06626	0.5
59.04990	0.3
60.07866	0.4
60.08155	5.5
66.98427	0.2
67.05497	0.3
70.01014	1.1
71.07362	2.4
72.08163	0.2
79.05480	0.2
81.03411	0.4
81.07040	0.6
83.04991	0.2
85.02901	0.3
86.09694	25.9
87.09997	0.2
91.05441	0.2
93.07024	0.4
95.04919	0.2
95.08568	0.2
97.06507	0.2
98.98447	1.9
100.11240	0.2
104.10725	2.9
104.92400	0.2
105.07032	0.6
107.08556	0.2
119.08569	0.4
121.10153	0.2
124.99988	18.1
127.03986	0.2
131.08540	0.5
133.10085	0.3
137.02309	0.3
143.00978	0.2
143.08513	0.2
145.10059	0.3
147.11664	0.3
149.09586	0.3
157.10075	0.2
159.11620	0.3
173.13225	0.2
176.54022	0.2
184.07315	100.0
185.07671	0.6
187.14857	0.3
187.80673	0.2
199.14653	0.3
213.99496	0.2
253.82565	0.2
258.10992	0.2
267.15924	0.3
300.01700	0.2
432.21487	1.2
450.22449	11.1
451.22534	0.2
454.34589	0.2
455.34543	0.4
482.25357	0.3
500.20724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2115
Annotation	Verrucarin L
Peak:m/z	Relative Intensity
55.01859	0.7
55.05489	1.3
57.07087	0.3
63.84513	0.4
65.03926	0.9
67.05478	1.3
68.99774	1.1
69.51770	3.0
71.90964	0.3
79.05481	0.5
81.07050	1.2
83.04971	0.9
93.03396	0.7
93.07055	0.5
95.04935	0.6
95.08585	0.9
97.02843	0.5
97.10135	0.4
105.07012	0.8
107.08553	0.6
109.10130	0.7
111.04436	3.3
115.05493	0.5
117.06989	0.7
119.08532	0.6
120.42270	0.4
121.10115	0.5
123.04411	2.7
126.05078	0.3
127.03875	0.5
129.07027	0.6
131.04900	0.7
131.08534	0.6
139.03883	100.0
141.07010	0.4
145.06500	0.7
145.10104	0.5
147.11638	0.6
149.05951	1.2
151.03926	1.7
153.05440	0.6
153.06889	0.4
159.08049	0.5
159.11697	0.4
161.05963	3.7
163.02519	0.6
163.03886	8.8
163.05214	0.6
163.07564	0.6
165.05402	0.4
169.06369	0.4
173.05965	7.3
173.13211	0.4
175.07513	0.6
177.05414	0.5
179.03375	2.0
181.04939	0.8
181.06441	0.8
185.05936	0.6
187.07538	3.4
187.14842	0.6
189.05464	1.2
195.07935	0.5
197.06015	0.5
199.07510	2.3
201.05435	0.4
201.09097	3.4
211.07520	1.2
213.09061	1.9
215.07130	0.6
223.14783	0.4
225.09164	0.9
227.06998	0.9
237.09065	0.4
267.13672	0.8
269.15353	1.0
271.06198	0.5
273.14923	0.4
279.13736	0.6
285.14844	1.9
287.16418	0.9
293.15353	0.6
295.06079	0.6
295.09537	0.4
297.14935	0.5
309.14859	0.4
311.16550	0.6
313.07196	0.7
313.14276	0.7
315.15869	7.2
323.09290	0.5
327.15894	1.6
329.17441	0.5
333.16870	1.9
338.08362	0.6
339.15945	3.2
345.17017	1.6
357.16995	2.5
421.16583	1.0
447.17944	1.5
465.19235	2.2
465.29770	0.4
483.20508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01858	2.3
55.05498	13.7
57.07066	2.2
61.31425	1.5
64.63680	1.5
65.03928	2.7
66.66957	1.6
67.05492	14.4
68.99751	2.8
69.03067	2.7
69.03416	36.7
69.07052	8.0
69.42448	15.9
71.04981	3.6
79.05484	11.8
80.29350	1.9
81.03397	3.8
81.07050	25.9
83.04951	5.3
83.08596	6.6
85.02894	3.2
85.06550	1.7
91.05466	19.9
93.07031	25.2
95.04946	10.2
95.08591	26.3
97.02872	1.9
97.06513	4.9
97.10123	5.1
99.04442	18.9
99.08075	11.5
100.11255	2.4
103.05431	2.8
105.07014	40.2
107.04993	1.5
107.08584	34.8
109.02843	6.1
109.06476	4.8
109.10141	12.7
111.04416	7.8
111.08063	1.8
113.05963	1.6
115.05420	4.8
116.05293	3.1
117.06999	10.4
119.08563	71.9
120.84595	2.2
121.02855	2.6
121.06488	4.7
121.10129	16.7
123.04395	6.9
123.08051	4.5
123.11700	8.3
125.09613	3.3
126.25864	1.6
127.03896	4.5
128.06168	5.0
129.06949	8.1
131.04890	6.7
131.08557	35.6
133.06444	3.4
133.10114	38.0
133.72017	1.5
134.15720	1.8
135.07967	4.0
135.11638	10.7
137.05919	5.9
137.09601	2.7
139.03883	100.0
140.04269	1.9
141.06947	4.0
142.07739	4.3
143.08537	22.1
144.09300	3.0
145.06477	3.4
145.09007	3.0
145.10094	41.0
147.04366	2.3
147.08034	4.4
147.11649	22.9
149.05923	8.2
149.09605	4.5
149.13229	7.9
151.03825	2.5
151.07527	3.5
153.06970	2.3
155.08522	10.4
156.09296	6.2
157.06485	3.2
157.10091	26.8
158.10814	3.1
159.08043	5.0
159.11678	38.3
161.05974	11.9
161.09595	10.2
161.13251	21.6
163.03885	88.2
163.07498	5.9
163.11176	3.6
163.14801	4.9
164.04248	1.8
165.05399	2.9
165.06877	1.9
167.07130	1.8
167.08556	4.0
168.09213	2.5
169.10101	12.3
170.10876	4.2
171.07887	2.1
171.11655	20.8
172.12228	2.2
173.05960	42.9
173.09595	5.2
173.13260	24.8
175.07471	3.8
175.11151	8.1
175.14763	10.7
177.05522	2.7
177.09062	2.3
177.16356	3.5
179.08450	2.7
179.14244	1.6
181.04980	2.2
181.06529	1.7
181.10133	6.0
182.10901	6.3
183.11659	23.0
185.05908	2.2
185.09711	2.2
185.13228	34.4
187.07498	7.7
187.11174	5.2
187.14792	59.5
189.05434	5.7
189.12711	17.8
189.16371	10.8
191.14304	5.8
193.10162	2.7
195.07970	1.7
195.11711	10.4
197.09729	1.9
197.13196	14.7
199.07486	8.4
199.11105	4.1
199.14757	16.7
201.09033	4.1
201.12746	10.6
201.16344	22.3
203.14282	20.9
203.17928	2.6
205.12195	5.7
205.15860	7.0
207.11839	1.9
207.13669	2.6
209.13268	7.9
209.27081	1.8
211.07455	4.6
211.14745	6.6
213.09036	2.2
213.12721	6.7
213.16388	4.8
215.14278	17.3
215.17662	2.0
217.15863	5.8
219.11723	1.8
219.13757	5.5
219.17398	4.0
221.13194	3.2
221.15167	3.6
223.14798	3.4
225.16333	3.2
227.14380	2.8
229.15871	5.6
231.13629	3.7
233.15315	10.5
235.14795	2.4
239.18028	2.8
243.17265	1.8
245.15260	3.8
247.17026	2.0
249.12619	2.1
249.14709	8.6
251.16370	3.5
259.16913	2.4
267.13718	4.7
285.14893	14.2
287.16199	2.8
289.14316	3.8
295.05939	3.5
299.16681	1.9
303.15775	2.1
305.17462	2.0
307.15161	4.0
311.08902	1.8
315.15750	7.8
317.22501	2.2
333.16827	2.9
339.15680	3.3
339.26761	3.2
367.26413	3.3
383.26904	2.3
389.28320	7.3
395.63681	1.9
401.28323	7.9
407.29672	8.1
417.27661	2.3
419.29550	13.9
421.16455	2.2
421.30814	2.8
435.28922	4.7
437.30484	13.6
439.31186	1.9
447.17953	3.7
447.28738	9.6
453.29803	7.3
455.31522	9.6
465.18994	10.3
465.29938	12.0
483.19879	2.4
483.30954	13.2
501.22473	5.7
501.31961	18.9
525.07697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82955	2.4
53.03953	2.4
55.01871	3.2
55.05497	11.6
57.07066	3.4
62.54702	2.9
65.03938	2.3
67.01317	2.5
67.05501	14.9
69.03428	6.2
69.07065	11.6
69.44208	21.4
69.44624	6.3
72.34030	2.5
79.05482	17.1
81.03391	2.6
81.07047	30.9
83.04964	6.9
85.06496	3.4
87.45307	2.3
91.05463	33.3
93.07032	36.4
95.04953	7.2
95.08596	41.8
97.06524	5.6
99.04423	2.9
103.05482	2.7
105.07014	56.5
107.04921	3.3
107.08576	44.2
109.06498	8.6
109.10158	14.8
111.08064	2.9
113.06014	5.0
117.06992	20.2
119.08571	94.2
121.06524	6.7
121.10136	26.3
123.04488	3.3
123.08076	7.2
123.11694	4.1
125.05915	3.5
125.09629	3.2
125.57410	2.3
128.06172	3.4
129.07018	12.6
130.07726	2.9
131.08557	54.5
133.06464	7.3
133.10118	43.3
135.08076	11.5
135.11691	10.0
137.09601	4.6
139.03906	8.8
142.07741	12.3
143.08534	35.0
144.09360	6.2
145.10107	100.0
147.08014	11.7
147.11696	27.4
149.05981	5.4
149.09642	7.2
149.13211	14.7
151.11186	3.2
155.08545	11.7
156.09337	12.3
157.10109	48.4
158.10936	4.0
159.08043	5.4
159.11681	61.9
159.64207	2.8
161.09627	16.2
161.13234	22.6
163.03897	9.3
163.07518	6.4
163.11133	3.2
163.14784	13.1
165.06975	2.6
165.09006	3.2
168.09354	3.8
169.10175	12.4
170.10941	11.6
171.11671	33.0
173.05974	4.3
173.09641	7.1
173.13237	59.2
175.11185	9.1
175.14816	22.9
177.09067	2.8
177.12776	6.9
177.16382	3.2
181.10170	6.6
182.10904	5.5
183.11662	29.8
185.13257	44.6
187.11182	8.0
187.14804	94.9
189.12714	28.4
189.16377	14.5
191.14323	7.6
195.11673	5.6
197.13242	16.2
199.11166	3.6
199.14781	49.3
201.12794	12.9
201.16359	55.0
203.14302	33.3
203.17857	4.6
205.12178	4.3
205.15820	4.6
207.13734	20.6
209.13202	5.8
211.14841	10.6
213.16347	12.2
214.96954	2.9
215.14368	14.1
215.17897	3.7
217.15753	12.1
219.13766	5.5
221.15350	11.3
223.14793	3.1
225.16333	4.9
227.14351	3.5
227.17923	4.4
229.15916	9.8
233.15376	11.3
237.16490	3.3
241.15833	4.3
245.15381	4.2
247.16905	5.6
253.19374	3.2
255.21178	3.4
265.19629	3.1
269.18988	2.5
287.46793	2.4
333.25372	2.7
360.45154	3.2
363.26889	3.2
389.28143	12.7
391.29849	8.2
401.28241	4.1
403.29852	7.4
407.29443	3.8
415.46234	2.7
419.29407	11.4
421.30917	5.8
422.04486	2.5
435.28824	33.1
437.30386	14.4
447.28937	6.5
453.29959	66.7
455.31708	5.2
457.32843	6.9
465.29706	10.3
483.30759	8.8
501.23248	12.6
501.32056	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	501.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.05508	5.7
65.03921	1.9
67.05489	7.4
68.99775	1.1
69.03412	2.5
69.07062	3.5
71.04976	1.5
71.62135	1.4
78.40781	0.6
79.05484	7.0
81.03409	4.9
81.07050	11.2
83.04971	3.9
83.08619	3.4
85.02894	1.4
85.06542	0.9
91.05470	9.8
93.03420	1.1
93.07044	11.3
95.04966	4.9
95.08600	9.3
97.02885	1.8
97.06516	2.1
97.10155	2.2
99.04451	1.1
99.08065	1.7
103.05490	1.1
105.07015	16.3
107.04897	1.7
107.08589	13.0
109.06495	3.0
109.10151	5.1
111.04422	5.0
111.08087	2.0
113.06008	0.7
115.05467	1.3
117.07036	4.0
119.04885	0.8
119.08568	21.8
121.02842	0.9
121.06490	3.1
121.10135	8.6
123.04427	11.1
123.08073	2.2
123.11680	2.4
125.09615	1.6
127.03899	2.6
128.06271	0.9
129.06984	3.1
130.07802	0.7
131.04889	1.2
131.08557	13.5
133.06490	1.3
133.10117	9.9
135.04451	1.4
135.08070	3.0
135.11659	4.3
137.05940	1.4
137.09612	1.4
139.03886	100.0
139.11243	0.9
140.04237	2.9
141.06905	1.0
142.07790	2.3
143.08534	6.2
144.09271	0.8
145.06483	1.7
145.10106	17.5
147.04346	0.8
147.08043	3.2
147.11681	7.7
149.05972	2.4
149.09598	3.0
149.13248	3.1
151.03874	2.3
153.05490	1.0
155.08517	3.2
156.09305	2.2
157.06496	1.4
157.10120	10.4
159.08000	2.6
159.11671	9.3
161.05971	2.0
161.09639	3.5
161.13226	5.5
163.03897	34.6
163.07567	1.9
163.11165	2.1
163.14865	2.1
164.04309	1.8
167.08470	1.1
169.10138	4.6
170.10898	2.0
171.11693	7.3
173.05977	2.6
173.09621	2.2
173.13226	11.3
175.03886	1.3
175.07481	0.9
175.11192	3.1
175.14824	4.4
177.05455	1.0
177.12704	1.7
177.16360	1.4
179.34247	0.7
181.04958	2.0
181.10153	2.0
182.10936	1.0
183.11667	6.0
185.13254	8.0
187.07491	1.7
187.11209	1.4
187.14801	12.6
189.12701	4.5
189.16359	2.1
191.14302	2.0
192.51425	0.8
193.12254	2.9
195.11655	1.6
197.09637	0.9
197.13249	4.3
199.07602	0.8
199.11128	2.0
199.14781	8.8
201.12726	7.1
201.16364	7.2
203.07048	0.9
203.10646	1.2
203.14330	5.0
203.18098	1.3
205.10312	0.7
205.12184	1.9
205.15900	2.1
207.13809	1.4
209.13206	2.4
211.12979	3.4
211.14851	3.0
213.12785	1.6
213.16344	3.6
215.14320	3.0
215.90729	0.8
217.12283	1.6
217.15881	2.0
219.13812	2.4
219.17368	0.9
221.13278	0.7
221.15393	1.8
223.14822	1.0
225.16339	1.1
227.14264	1.4
227.17899	1.1
229.12074	0.8
229.15894	1.5
229.19835	0.7
231.13835	1.0
233.15344	3.1
237.16360	1.3
243.13770	1.6
243.17395	0.9
245.15392	1.8
247.13347	2.5
247.16972	0.8
249.14761	1.7
253.19566	1.5
259.16953	1.3
267.17038	0.7
269.15472	1.1
271.05942	0.8
273.07712	0.8
283.17160	0.7
285.14951	0.9
287.16443	0.8
289.19391	0.8
315.15884	1.8
333.16907	12.9
334.17191	0.9
357.16812	0.9
378.28860	0.7
389.28265	1.8
391.29929	1.3
401.28348	1.8
403.29996	1.3
407.29465	1.0
417.28348	1.0
419.29248	4.7
421.16409	2.5
421.30884	1.3
429.16907	1.1
435.28928	4.2
437.30603	5.1
439.32361	1.1
447.17908	7.2
447.28522	2.3
453.29944	17.7
455.31851	5.6
457.32956	1.1
465.19150	18.6
465.29807	5.4
466.19839	3.5
483.20352	8.3
483.31274	5.5
484.20337	1.3
494.32581	0.9
501.32523	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	501.3203
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
53.03922	0.7
53.38578	0.4
55.05499	2.6
67.05500	4.8
67.79465	0.6
69.03420	1.3
69.07045	2.3
70.59587	0.6
70.59933	1.7
71.04965	1.0
79.05469	3.7
81.07052	6.7
82.58430	0.5
83.04951	1.8
83.08596	2.1
85.06544	0.6
91.05450	4.6
93.07027	7.2
95.04947	3.2
95.08593	10.2
97.06513	1.6
97.10152	1.1
105.07015	11.7
107.04919	0.9
107.08581	11.1
109.06500	4.5
109.10142	4.8
111.08044	1.5
112.54079	0.5
113.06024	1.2
117.06990	1.1
119.04929	0.5
119.08564	15.9
121.06527	2.4
121.10128	7.6
123.08086	3.3
123.11658	1.4
125.05987	0.8
125.09596	1.1
129.06990	1.7
130.07774	0.5
131.08562	5.6
133.06459	1.8
133.10115	7.9
135.08035	8.3
135.11673	3.6
137.05969	0.7
137.09572	1.2
141.07068	1.0
142.07738	0.8
143.08514	4.1
144.09355	0.7
145.06430	1.0
145.10107	6.3
147.04407	0.8
147.08043	3.1
147.11661	5.7
149.09566	3.4
149.13231	1.7
151.07523	1.1
153.09096	1.3
155.08559	1.4
156.09305	0.6
157.10104	4.5
158.10899	0.6
159.08028	0.9
159.11678	6.4
161.09596	5.1
161.13252	4.2
163.11160	1.9
163.14806	1.7
165.09097	3.0
169.10118	1.1
171.11647	4.5
173.09541	1.2
173.13210	6.1
174.15244	0.5
175.11099	3.1
175.14806	7.9
177.12677	0.9
177.16336	1.1
179.10684	0.6
182.10857	0.8
183.10187	0.6
183.11653	2.4
185.09599	1.1
185.13208	2.7
187.11235	2.8
187.14819	4.3
189.12721	3.6
189.16304	6.1
191.10556	0.6
191.14305	1.4
191.17932	1.1
193.12175	0.6
195.11610	1.0
197.13274	2.2
199.11174	1.9
199.14793	3.5
201.12747	3.3
201.16373	1.1
203.10661	0.9
203.14308	1.9
205.12140	1.2
207.11826	0.9
207.13649	1.3
209.13245	1.4
211.14804	1.9
213.12708	1.4
213.16277	1.1
215.14301	2.5
217.12219	1.0
217.15768	3.8
219.13751	1.3
223.14755	0.8
225.12671	0.7
225.16409	1.0
227.14285	1.2
227.17979	2.6
229.12230	1.9
229.15819	0.9
229.19431	0.6
231.13802	1.4
231.17462	0.7
235.16954	1.2
237.16466	0.8
239.17970	0.6
240.34813	0.6
241.19444	0.9
243.17352	0.9
245.15437	0.7
247.13341	1.5
253.15697	0.6
253.19647	0.9
257.18961	0.6
265.14301	4.3
265.19669	0.6
267.20932	1.1
267.70029	0.5
271.16943	0.5
271.20508	0.9
273.18497	1.2
281.19052	0.6
289.18036	0.6
309.22079	0.7
315.19775	0.5
323.20132	0.5
323.23666	1.2
341.21216	0.9
349.17175	0.6
355.22647	0.5
369.24316	1.7
370.25061	1.7
371.25931	0.8
383.25833	1.0
391.30042	0.8
401.28494	0.6
419.29489	2.4
423.28900	1.0
435.28976	1.4
437.30594	5.6
447.28635	1.5
453.29807	1.9
455.31494	5.4
465.29962	10.4
478.39532	0.6
483.31012	32.7
484.31366	0.8
495.46988	0.6
501.32053	100.0
502.32565	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	501.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15866	1.9
55.05499	9.5
57.03417	3.4
61.61084	2.2
62.55178	2.2
67.05499	15.9
69.03413	11.3
69.07066	12.0
70.06571	6.8
71.04955	4.7
71.61450	2.6
72.08126	2.7
76.02230	3.1
79.05484	15.6
81.03410	2.7
81.07049	37.3
83.04967	3.1
83.08616	5.2
84.04465	2.7
85.02915	10.6
85.06514	3.4
85.07635	2.6
86.09690	7.3
91.05469	26.1
93.07039	33.7
95.04935	10.4
95.08038	2.6
95.08604	38.3
97.02863	4.2
97.06508	5.0
99.08070	5.1
103.05470	2.2
105.07017	61.6
106.07348	3.2
107.07858	2.5
107.08578	41.0
109.06489	8.1
109.10146	19.6
111.08022	3.8
115.05419	4.0
115.08639	2.5
116.06278	2.1
117.07007	14.8
119.08566	85.0
120.08046	2.9
121.06490	9.7
121.10137	22.0
123.08035	6.0
123.11673	4.1
127.03906	4.6
128.06178	5.1
129.06976	9.8
130.07759	2.1
131.04910	2.1
131.08549	45.6
133.06456	7.1
133.10112	40.1
135.08000	7.2
135.11644	11.5
137.05925	6.9
137.09590	6.1
141.06924	4.5
142.07771	8.4
143.08549	29.0
144.09322	3.8
145.10100	68.7
146.10495	2.4
147.04376	3.8
147.08025	11.4
147.11691	26.4
149.05901	3.4
149.09599	6.5
149.13208	9.7
151.11142	2.6
155.08595	10.3
156.09293	7.9
157.10101	41.5
158.10855	4.0
159.08014	4.0
159.11676	50.5
161.05956	7.1
161.09583	14.9
161.13223	21.3
162.58064	2.3
163.07533	5.0
163.11166	3.6
163.14803	7.7
165.09122	2.5
167.08493	2.7
168.09221	2.6
169.10072	15.0
170.10876	8.3
171.11690	32.0
172.12489	2.1
173.09665	2.4
173.13235	41.8
174.75703	2.3
175.11148	7.8
175.14812	24.9
177.09222	2.1
177.12733	6.2
177.16229	2.1
179.10661	2.6
181.10014	5.5
182.10910	3.8
183.11641	20.9
184.12474	4.2
185.13235	47.5
187.11166	5.6
187.14795	60.1
189.12730	25.9
189.16328	13.8
191.10648	4.4
191.14244	7.3
193.10115	3.0
193.15831	2.8
195.11629	2.8
197.13258	19.5
199.14799	43.8
201.12701	8.8
201.16327	29.6
203.06989	2.5
203.14264	23.1
203.17940	2.3
205.15849	4.3
207.11900	3.6
207.13773	10.8
209.13280	5.6
211.14760	9.7
213.12704	2.8
213.16333	9.5
215.14310	16.0
215.17793	4.2
217.12277	2.5
217.15814	14.0
219.13718	7.2
219.17473	2.4
221.15349	8.0
223.14851	2.9
225.16402	8.3
227.14374	3.6
227.18036	2.6
229.15796	7.6
231.13779	4.5
233.15411	10.5
235.16884	3.3
239.18083	2.8
241.15907	2.9
245.15292	6.4
247.17010	3.6
251.16292	2.4
255.17387	2.2
263.18130	2.2
265.19467	2.5
289.20886	2.1
338.38278	2.1
365.95001	2.0
389.28284	8.4
391.29657	5.8
401.28241	5.7
403.29919	3.7
407.29413	5.3
419.29239	10.6
421.31079	3.6
435.28824	23.4
437.30505	10.9
439.32108	3.6
447.28885	8.4
453.29919	100.0
455.31516	5.2
465.29950	12.6
483.30740	8.2
494.32547	3.3
501.19086	3.6
501.23761	2.7
501.32117	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	501.3207
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03947	4.1
55.05502	10.6
55.09558	2.5
57.03434	2.8
57.07054	3.2
65.03944	4.7
67.05508	13.2
69.03429	18.6
69.07051	10.9
79.05490	19.3
81.07042	33.1
83.04977	7.6
83.08614	6.7
85.02891	11.6
85.06536	3.3
85.48010	2.7
86.47350	2.9
91.05468	25.6
93.07030	43.1
95.04947	10.9
95.08595	43.1
97.02881	15.6
97.06532	13.0
99.04446	2.7
99.08086	5.5
105.07014	58.5
107.04910	3.0
107.08587	60.3
109.02871	4.5
109.06512	12.7
109.10162	24.5
111.04446	12.0
111.08073	4.1
113.05995	5.2
115.03907	15.4
117.06996	12.9
119.08571	100.0
120.26477	2.6
121.06508	13.1
121.10138	37.2
121.10994	3.7
123.04429	3.7
123.08075	7.3
123.11694	7.9
125.06010	3.8
125.09635	3.1
127.07540	9.7
128.06197	6.1
129.05536	6.4
129.06979	8.1
130.07793	2.7
131.08554	53.1
133.06474	5.4
133.10127	48.2
135.04352	2.7
135.08134	12.9
135.11679	23.7
137.05975	7.1
137.09520	5.1
139.03888	40.9
141.06999	4.5
142.07782	4.3
143.08548	25.3
144.09354	4.6
145.06465	3.5
145.10115	79.5
147.08063	14.0
147.11678	43.6
149.05952	6.6
149.09633	5.6
149.13257	13.7
151.07599	3.2
153.09216	3.0
155.08501	7.7
156.09357	7.4
157.06445	3.6
157.10115	36.8
158.10861	3.6
159.08058	10.7
159.11694	53.2
161.06010	7.0
161.09612	15.5
161.13243	33.8
163.03893	36.2
163.07532	7.8
163.11154	7.8
163.14824	11.2
165.09132	3.3
165.12726	4.1
169.10141	12.4
170.10886	6.4
171.08029	5.9
171.11685	30.2
173.05948	17.7
173.09570	5.8
173.13240	47.5
175.11139	13.8
175.14796	26.2
177.05353	2.7
177.09128	5.7
177.12750	5.7
177.16396	5.7
179.10582	2.6
181.10109	3.8
182.10883	4.3
183.10274	3.8
183.11647	15.7
185.09605	6.6
185.13235	32.3
187.07507	4.9
187.11185	9.3
187.14789	69.6
189.12712	33.6
189.16336	18.6
191.14268	7.6
193.19681	2.7
195.11661	6.5
197.09525	2.7
197.13190	14.2
199.07597	3.0
199.11195	3.8
199.14804	35.3
201.12759	15.4
201.16347	61.1
203.14305	13.8
203.17918	3.6
205.12175	5.9
207.11902	3.0
207.13824	8.2
209.13239	6.8
211.14842	9.7
213.12798	8.7
213.16353	21.1
215.14352	18.1
215.17923	4.3
217.12265	3.3
217.15874	7.0
219.13860	13.3
221.15308	4.1
223.14810	4.4
225.16451	7.4
227.14304	6.4
227.17914	8.4
229.15834	5.7
231.13820	9.2
233.15343	11.0
235.13168	4.7
237.14641	4.5
237.16652	3.5
239.14285	4.5
239.18039	5.1
239.67531	2.7
241.19640	3.2
245.15367	17.6
247.16986	7.9
251.17905	5.7
259.16956	9.0
271.06015	17.3
273.18533	4.0
285.14890	4.6
307.24203	3.2
315.16052	5.5
347.23779	3.8
365.24628	4.1
369.27884	3.4
389.28400	21.0
391.30048	6.6
401.28305	12.3
407.29468	27.7
409.30945	7.3
411.25214	8.0
417.27740	5.9
419.29422	37.4
435.28906	27.9
437.30426	31.5
439.32007	3.1
447.28900	9.0
453.29941	46.0
455.16922	2.7
455.31580	17.3
465.30017	27.1
483.16608	3.2
483.31036	18.5
501.32706	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	501.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01858	1.9
55.05500	8.4
57.03411	1.9
57.07064	1.4
59.04980	1.2
59.53436	1.0
61.02932	1.1
65.03933	2.4
67.05494	14.4
69.03425	8.5
69.07056	9.2
69.30166	1.0
71.01358	1.3
71.04974	4.2
71.62099	1.9
79.05473	11.3
81.03397	3.9
81.07050	21.2
83.04967	5.6
83.08601	3.1
85.02894	6.4
85.06542	2.3
91.05467	16.2
93.07027	19.5
95.04939	6.1
95.08599	23.0
97.02880	6.7
97.06516	6.8
97.10152	3.9
98.64733	1.2
99.04453	2.9
99.08097	5.4
103.05415	1.9
103.07586	1.3
105.07018	27.7
107.04947	2.5
107.08579	26.4
109.02830	2.8
109.06503	7.2
109.10143	15.4
111.04427	6.9
111.08074	2.4
115.03922	4.4
115.05485	1.9
117.06992	8.0
119.08569	37.0
121.02872	1.8
121.06510	5.3
121.10121	19.9
123.04417	4.8
123.08054	4.3
123.11698	4.4
125.09624	3.9
127.03914	4.5
127.07533	1.1
128.06203	1.5
129.06967	6.1
130.07867	1.3
131.04871	2.5
131.08548	21.3
133.06500	3.8
133.10114	30.2
135.04370	1.1
135.08040	7.4
135.11670	10.6
137.05984	5.5
137.09599	8.9
139.03882	100.0
140.04225	4.3
141.07011	1.6
141.09290	1.2
142.07796	3.8
143.08546	13.5
143.10504	1.3
144.09270	1.5
145.06483	4.2
145.10107	30.5
147.08015	6.2
147.11665	18.2
149.05997	5.6
149.09596	4.1
149.13234	6.8
151.03870	2.9
151.07544	2.6
151.11140	1.3
153.06995	2.0
153.09036	1.6
154.07774	1.5
155.08530	4.4
156.09306	3.2
157.10085	14.7
159.08064	4.4
159.11674	23.5
161.05978	9.8
161.09612	9.5
161.13226	14.0
163.03879	49.5
163.07562	3.8
163.11150	5.1
163.14786	4.7
164.04150	2.2
165.09145	2.7
165.12773	1.3
166.05652	1.1
167.08549	1.5
168.09328	1.8
169.06461	1.3
169.10159	5.6
170.10866	1.8
171.08020	1.2
171.11652	14.3
172.08955	1.6
173.04613	0.9
173.05962	23.3
173.09575	2.4
173.13243	18.7
175.07588	2.9
175.11150	7.5
175.14825	7.4
177.05449	3.2
177.09100	1.5
177.12717	4.0
177.16350	3.5
179.08572	1.5
179.10680	2.5
181.06438	2.1
181.10043	2.5
183.08032	1.4
183.11656	9.1
184.12582	1.3
185.09673	2.6
185.13239	13.5
187.07513	5.3
187.11165	4.5
187.14790	25.8
189.05482	2.2
189.09048	2.2
189.12743	12.9
189.16293	6.2
191.10580	1.7
191.14290	9.9
191.17865	1.2
193.12212	1.5
194.02446	1.2
195.11685	2.0
197.05989	3.0
197.13289	5.2
199.07555	3.2
199.14810	11.2
201.09062	2.9
201.12798	6.1
201.16319	15.1
203.14359	6.7
203.17914	2.6
205.12221	2.7
205.15883	3.5
207.11934	1.7
207.13809	5.6
209.13266	3.0
209.15321	1.9
211.07533	2.0
211.14859	3.3
213.12817	2.8
213.16386	4.6
215.14212	7.6
217.12209	4.0
217.15765	2.9
219.13780	4.4
221.13376	1.6
221.15355	4.4
223.14812	2.1
225.12790	1.9
225.16310	2.3
227.14293	1.4
227.17877	2.6
229.15752	2.5
231.13742	3.2
233.15361	4.4
235.13240	3.2
235.16888	2.7
237.14656	1.6
241.19586	1.2
243.13713	2.3
245.15346	3.4
247.16959	3.1
249.14809	2.8
253.19740	1.7
259.17065	2.6
263.12582	1.3
265.19553	1.4
267.13788	2.4
269.15366	2.0
271.06015	3.0
281.18915	1.2
285.14682	7.8
303.16077	1.6
309.07404	1.6
315.15796	5.8
317.17596	1.3
333.16962	4.0
339.15915	4.4
357.16953	1.7
363.26889	1.4
375.18048	2.7
383.26443	1.1
389.28217	5.8
391.30170	2.4
401.28461	3.6
403.25317	1.2
407.29660	6.0
409.31015	3.5
419.29480	13.3
421.16321	2.5
429.27979	1.5
435.28796	5.8
437.30466	13.2
447.17896	1.2
447.28683	4.3
453.29910	13.5
455.31796	8.5
465.19022	4.2
465.29913	11.7
468.67416	1.2
483.20792	1.7
483.31415	10.2
492.36420	1.4
501.22406	2.2
501.31464	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3207
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03941	4.4
55.05504	9.7
56.96546	3.0
57.03436	4.8
59.04977	2.7
65.03930	3.2
67.05492	21.5
69.03425	9.5
69.07053	12.5
69.80312	8.5
69.80714	4.2
70.06561	4.6
71.05017	4.8
72.08111	2.1
79.05484	20.5
81.03416	4.1
81.07053	32.4
83.04977	7.1
83.08597	7.2
84.54131	2.0
85.02901	7.2
85.06516	3.0
86.09704	4.5
91.05473	31.1
93.07035	41.4
95.04939	9.0
95.08598	45.9
97.02882	4.7
97.06528	8.4
97.10171	2.7
98.21156	5.4
99.04442	4.4
99.08088	6.3
105.07019	67.2
107.04926	4.3
107.08581	45.9
109.06483	10.2
109.10149	21.9
111.04452	3.5
111.08080	5.1
113.06017	2.6
115.05428	4.2
117.07006	16.7
119.08568	89.7
121.06492	8.7
121.10133	31.4
123.04372	2.5
123.08061	8.9
123.11707	5.4
125.05983	3.1
127.03845	2.6
128.06216	5.0
128.64650	1.8
129.07024	12.5
130.07787	4.1
131.08559	55.7
133.06468	6.5
133.10118	47.9
135.08067	11.8
135.11687	14.3
137.05971	7.0
137.09604	7.2
139.03915	2.6
142.07803	11.4
143.08554	31.5
144.09338	5.8
145.06424	3.0
145.10112	100.0
146.10489	2.3
147.04373	2.9
147.08067	11.3
147.11664	31.9
149.05949	2.4
149.09599	8.7
149.13243	14.0
151.07518	2.9
151.11171	2.7
155.08571	10.2
156.09296	14.1
157.10118	50.2
158.10858	7.1
159.08051	6.4
159.11687	76.4
160.08519	2.1
160.12050	3.1
161.05986	2.5
161.09607	15.0
161.13239	24.6
163.07510	5.5
163.11107	6.5
163.14856	11.9
165.09079	2.5
165.12834	2.4
167.07036	14.3
167.08549	5.2
167.10664	2.1
168.09404	4.0
169.10118	16.2
170.10905	13.4
171.11667	37.0
172.12410	6.1
173.09645	4.4
173.13249	61.1
174.58592	1.9
175.07556	6.2
175.11154	11.2
175.14819	28.7
177.09201	2.3
177.12778	7.4
177.16463	3.3
179.10687	2.3
179.14198	2.3
181.10138	6.6
182.10893	6.5
183.11691	32.6
184.12274	2.6
185.09557	5.1
185.13248	51.2
187.11188	5.6
187.14810	73.2
189.09114	2.3
189.12733	24.3
189.16418	10.7
191.14354	11.8
193.12210	2.3
193.15953	2.3
195.11612	6.7
197.13249	19.1
199.11131	3.2
199.14810	40.6
201.09129	2.8
201.12720	13.4
201.16379	38.0
203.14304	34.7
203.17949	4.6
205.12338	3.0
205.15910	6.8
207.11815	4.1
207.13792	12.0
209.13260	9.6
211.14764	15.8
213.12878	2.5
213.16261	13.0
215.14296	13.3
215.17851	4.0
217.15802	13.3
219.11882	2.4
219.13753	4.2
221.13202	6.7
221.15367	16.3
223.14816	4.3
225.16341	6.7
227.14420	3.3
227.17885	5.1
229.15912	7.7
231.13811	3.8
231.17476	3.9
233.13332	3.7
233.15269	12.0
235.16866	3.3
237.16451	2.8
239.16360	2.8
241.15883	3.7
243.13785	2.5
245.15321	6.5
247.12912	2.2
247.16954	6.2
247.20934	2.0
249.18573	4.2
251.18127	2.5
265.19482	2.6
277.19388	2.5
279.20602	2.3
281.18948	2.1
314.12344	2.6
373.28928	2.5
389.28418	9.6
391.29907	6.5
401.28406	8.2
403.29929	7.1
407.29410	4.9
417.27655	4.3
419.29312	21.3
421.31348	8.9
429.28040	2.9
435.29083	24.8
437.30618	17.0
439.31848	4.7
447.29028	9.6
453.29947	67.7
455.31586	27.1
457.33109	8.6
465.29892	18.2
483.31171	18.0
494.32645	5.1
501.08929	3.3
501.22833	22.6
501.31888	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05492	1.3
57.03428	3.8
58.70743	1.0
61.02908	1.3
67.05486	2.7
69.03429	13.8
69.07049	2.8
69.58374	6.4
70.06588	12.7
71.04993	2.3
71.06918	1.4
72.08146	1.1
73.02911	2.4
79.05492	2.0
81.07037	3.0
83.05004	1.4
84.08112	1.0
85.02896	12.9
85.07626	1.1
86.09700	14.6
87.04463	5.6
87.05573	1.0
87.09987	1.7
91.05426	2.7
93.07019	4.9
95.04964	2.6
95.08598	25.3
97.02882	12.1
97.06541	8.8
99.04411	1.4
99.08068	2.1
105.07017	8.4
107.08575	4.7
109.02876	1.5
109.10131	2.7
115.03928	10.4
115.05451	1.2
119.08582	6.1
120.08112	1.1
121.10133	6.2
121.10886	0.9
123.08076	1.1
123.11692	1.8
127.03944	2.1
129.06935	1.1
129.10216	1.3
131.08572	7.3
133.04959	11.9
133.10121	100.0
134.10474	1.8
135.07994	1.4
136.07469	1.3
137.05965	6.7
143.08440	1.0
145.04932	1.5
145.06320	0.9
145.10104	3.1
147.04356	2.5
147.11678	2.6
149.09583	2.7
149.13263	1.2
151.07481	1.5
151.11172	3.3
157.10081	1.4
158.10841	4.1
159.11661	1.2
163.07553	1.3
163.14789	3.3
167.05505	1.7
171.11670	1.5
173.13257	29.1
175.14798	2.0
177.00854	0.9
183.11589	1.0
185.13191	1.3
187.07445	1.5
188.34212	1.2
191.14291	25.5
199.17999	2.3
209.15327	6.4
217.08655	1.1
229.15474	1.8
230.15677	1.2
237.02721	1.0
273.47815	1.0
277.54962	1.1
291.09995	1.3
299.06290	2.2
300.06104	1.1
341.14047	1.2
395.10757	1.1
455.30389	1.7
503.08008	12.5
503.19312	6.9
503.31717	1.5
504.08127	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	503.3362
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
52.50792	1.1
53.03930	2.0
55.05496	6.8
57.03436	1.9
57.07062	1.2
59.04986	1.6
59.59016	1.1
65.03945	1.2
67.05498	18.3
69.03407	1.6
69.07056	6.8
69.89164	6.5
71.04984	2.0
79.05477	16.0
81.03416	1.7
81.07043	23.2
83.04964	1.3
83.08614	5.5
84.27660	1.1
85.06536	3.4
91.05444	17.1
91.06342	1.1
93.07027	20.4
95.04955	5.5
95.08596	20.9
96.94488	1.0
97.06534	3.2
97.10181	1.5
98.98436	6.1
99.08076	13.7
103.05490	1.5
105.07017	100.0
107.04958	3.1
107.08579	26.0
109.06503	11.2
109.10133	15.7
111.08043	2.1
115.05450	1.8
117.06991	7.4
119.08565	39.3
121.06519	3.0
121.10120	15.6
123.08068	6.0
123.11696	4.9
125.09620	2.4
128.06181	1.4
129.07002	4.5
130.07787	1.3
131.08549	47.0
133.06465	25.9
133.10101	22.5
135.08038	7.0
135.11703	7.2
137.09618	3.0
137.13327	1.2
141.06984	1.4
142.07747	2.5
143.08517	8.5
144.09329	2.2
145.06473	1.6
145.10127	21.9
146.07271	1.5
147.08026	9.8
147.11674	13.7
149.05972	1.7
149.09555	6.7
149.13251	4.6
151.11177	2.1
155.08568	3.1
157.10098	11.6
158.10861	1.9
159.08066	5.1
159.11664	16.6
160.08864	1.1
161.09552	7.0
161.13226	9.2
163.07573	1.5
163.11217	1.8
163.14833	3.7
165.12830	2.1
168.09422	1.7
169.10152	3.8
170.10809	1.7
171.11678	6.5
173.05975	1.3
173.09669	4.8
173.11777	1.7
173.13234	39.3
175.11223	4.5
175.14787	14.2
177.09074	3.1
177.12717	5.8
177.16379	4.0
179.14319	6.1
183.11665	9.0
185.13260	8.7
187.11191	2.5
187.14787	12.6
189.16373	3.1
191.06978	6.3
191.10687	2.4
191.14308	2.4
191.17950	1.8
193.10161	1.4
195.11740	2.5
197.13286	4.0
199.14868	3.8
201.12740	19.7
201.16376	5.1
203.14293	12.6
203.17926	1.4
205.08713	2.0
205.15839	11.8
206.09375	4.7
209.13281	2.7
211.13068	1.4
211.14902	2.2
213.16324	1.7
215.14363	3.5
217.15968	1.7
219.13777	29.9
219.17448	3.1
221.15486	2.6
223.15024	2.1
223.16994	3.0
225.16385	2.1
229.12341	1.7
229.16098	1.8
233.15413	1.8
237.16479	1.5
247.13194	12.1
251.17921	1.3
257.18900	2.8
265.14313	12.4
275.20050	4.9
279.15894	2.0
293.21173	1.6
331.26367	7.8
335.23776	1.4
336.70813	1.2
351.23154	4.1
361.25366	1.3
367.26276	2.7
369.27933	2.1
385.27542	1.5
399.28821	1.5
403.29803	3.0
405.30298	5.2
411.32428	1.4
421.31027	8.4
423.32401	1.3
429.26385	2.1
439.32071	9.5
441.33725	3.0
449.30725	2.0
457.33047	35.3
459.34930	2.3
467.31668	5.3
485.32584	19.7
503.33728	87.4
504.33676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26921	1.8
55.01881	2.9
55.05505	9.8
57.03428	4.1
57.07067	2.3
59.14972	1.8
65.03934	1.8
65.18326	1.9
67.05500	34.8
69.07073	8.7
71.62918	3.5
79.05489	19.0
81.07042	32.0
81.07439	2.4
83.05000	3.1
83.08632	7.0
91.05439	17.5
93.07032	25.1
95.04967	5.7
95.08583	20.9
97.06549	5.5
97.10178	3.2
98.01558	1.8
98.21004	2.1
98.98460	10.7
99.08067	12.6
101.80983	1.9
105.07018	100.0
107.05016	2.6
107.08585	31.3
109.06542	9.9
109.10146	32.3
111.08107	3.7
112.24693	2.1
117.07045	8.7
119.08574	37.3
121.02888	4.1
121.06543	2.7
121.10136	20.7
123.08069	10.2
123.11732	5.8
129.07024	5.9
131.08557	36.7
131.09486	2.7
133.06482	18.1
133.10109	29.3
135.08089	7.3
135.11731	9.0
137.09622	4.9
143.08594	8.9
145.10095	24.7
147.08110	6.4
147.11716	14.2
149.09659	5.3
149.13190	4.6
151.11227	2.6
155.08604	3.0
157.10078	11.4
159.08092	3.4
159.11696	18.2
161.09674	8.1
161.13205	10.9
163.11238	7.0
163.14886	5.8
165.12775	2.2
169.10141	3.8
170.10898	1.8
171.11749	5.6
173.09663	4.3
173.13237	34.3
175.11168	4.3
175.14851	14.2
177.12817	4.0
177.16367	2.3
179.14389	5.9
183.11757	5.3
185.13246	10.4
185.52429	1.9
187.11287	2.5
187.14833	12.2
189.16414	1.9
191.07101	2.6
197.13353	5.1
199.14853	3.5
201.12718	11.9
201.16438	5.5
203.14287	11.1
203.18007	2.7
205.15967	8.6
209.13342	2.7
215.14349	3.4
217.15826	1.9
219.13782	28.6
219.17352	3.3
223.16846	3.8
225.16571	2.8
239.18018	2.7
247.13361	9.9
257.19113	6.1
265.14291	12.9
275.20065	10.5
293.20969	2.0
299.06058	2.5
331.26410	12.5
349.25162	2.7
367.26428	3.8
369.28168	3.4
403.29941	4.5
405.30386	8.6
421.31064	10.5
423.32965	2.7
439.32117	13.3
449.30594	3.9
457.33118	27.7
467.31940	7.1
485.32742	21.2
503.33948	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3363
Annotation	Dianic acid
Peak:m/z	Relative Intensity
51.62700	0.7
53.03936	1.3
55.05500	5.4
56.81068	0.7
57.07062	1.5
65.03909	1.2
67.05504	5.3
69.03416	1.7
69.07058	5.7
70.75765	2.7
72.27209	0.8
77.75485	0.7
79.05483	6.6
81.07048	14.4
83.04974	1.7
83.08617	4.3
91.05451	6.9
93.07033	14.0
95.04967	4.1
95.08034	1.2
95.08591	13.8
97.06520	3.2
97.10139	1.0
99.04414	1.0
99.08073	1.2
105.07017	28.0
107.04929	1.0
107.07848	1.3
107.08585	21.5
109.06509	5.4
109.10143	10.3
111.08060	2.1
113.84521	0.7
117.06963	3.6
119.08565	30.7
119.39131	0.7
121.06495	4.6
121.10133	17.2
123.08059	3.0
123.11688	2.7
125.05951	0.9
125.09665	1.1
128.06145	1.7
129.06998	3.0
130.07822	1.1
131.08560	16.6
133.06528	1.4
133.10118	21.6
135.08057	3.6
135.11673	5.5
137.09584	4.2
139.03906	4.3
139.07503	0.9
140.04189	1.8
140.25420	0.7
141.07001	1.1
142.07774	1.8
143.08542	13.7
144.09285	1.2
145.10103	24.7
146.10928	0.7
147.08047	4.6
147.11652	11.6
149.05978	1.7
149.09605	3.3
149.13249	3.7
151.11111	1.4
155.08582	3.4
156.09361	2.4
157.10118	16.8
158.10893	1.0
159.08054	1.8
159.11674	16.5
161.09634	5.1
161.13274	9.4
163.11214	2.6
163.14827	3.9
166.75955	0.8
167.10721	1.5
168.09302	0.8
169.10130	4.4
170.10913	3.3
171.11670	8.8
173.09637	1.9
173.13235	17.5
175.11198	3.2
175.14812	29.0
177.09160	0.7
177.12759	2.4
177.16376	5.6
179.10655	0.9
179.14278	0.8
181.08672	0.8
181.10143	1.6
182.10909	1.0
183.11662	6.4
184.12466	1.4
185.13240	42.2
186.13466	0.9
187.11282	1.2
187.14804	18.5
189.12712	3.8
189.16446	4.3
189.17926	0.7
191.14278	12.3
193.15880	1.9
195.11661	1.7
197.13223	6.7
199.14806	16.7
201.12750	3.3
201.16365	16.5
203.14293	49.0
203.18019	2.1
205.15855	4.0
207.13672	1.0
209.13287	2.1
211.14818	3.9
213.16376	5.0
214.95712	0.9
215.14275	2.2
215.18002	2.0
217.15825	5.6
219.13831	3.3
219.17432	1.3
221.15352	9.9
223.16832	3.5
225.16353	1.6
227.14409	0.9
227.17896	2.0
229.15840	1.9
229.19556	1.5
231.13817	2.3
231.17397	0.9
233.15376	2.3
235.17032	1.2
237.16548	1.0
239.16286	16.4
241.19487	1.7
243.21017	1.0
245.15379	3.1
247.13124	1.1
247.16937	3.3
249.14777	18.3
249.17023	1.1
253.19421	4.1
255.21143	1.0
267.21152	2.3
269.19199	0.9
271.20581	0.8
273.18594	1.0
283.16757	0.7
285.22214	1.0
301.21545	0.8
341.80780	0.8
373.28973	1.3
385.28741	1.4
391.30060	0.8
403.29904	4.1
421.25790	4.8
421.31097	11.7
423.32956	0.8
431.29318	1.5
437.30237	1.7
439.32019	12.5
441.33859	1.1
449.30551	4.0
455.31757	1.5
457.33081	85.6
458.33313	2.0
466.19202	0.8
467.19647	1.8
467.31778	6.2
485.32669	9.3
503.33655	100.0
504.33951	1.9
517.93311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3362
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
55.01875	0.5
55.05503	1.7
57.07064	0.7
63.79766	0.4
67.05498	2.6
69.03407	1.2
69.07062	2.2
70.92712	1.1
79.05480	2.8
81.07053	5.4
83.04981	1.7
83.08617	1.7
91.05471	3.1
93.07032	6.7
95.04963	1.6
95.08596	8.6
97.06539	2.4
97.10152	0.6
103.05486	0.5
105.07021	11.4
107.08585	9.2
109.06516	1.7
109.10130	5.2
111.08046	0.7
112.16566	0.4
117.06996	1.9
119.08568	15.2
121.06516	1.2
121.10133	8.8
123.08038	2.2
123.11715	0.8
125.09605	1.2
129.07005	1.4
131.08559	5.7
133.06468	0.9
133.10124	8.3
135.08026	2.6
135.11676	2.7
137.09631	2.2
139.07451	0.5
142.07776	0.7
143.08521	3.5
144.09396	0.7
145.10106	7.5
147.08072	2.0
147.11679	5.2
149.09615	3.1
149.13248	1.8
153.09114	0.6
155.08557	1.4
155.70644	0.5
156.09363	0.8
157.10104	4.4
158.10988	0.5
159.08026	0.7
159.11673	5.8
161.09631	4.6
161.13232	3.5
163.11183	1.6
163.14806	2.1
167.10663	0.9
169.10110	2.2
170.10893	0.9
171.08034	0.8
171.11652	2.8
173.09583	1.5
173.13248	7.3
175.11217	1.2
175.14796	8.4
177.12808	0.7
177.16412	1.6
181.10025	0.5
182.10886	0.8
183.11700	2.2
185.13225	4.1
187.11226	0.8
187.14772	5.4
189.09216	0.5
189.12714	2.0
189.16364	6.7
191.14293	1.1
191.17903	0.5
195.11679	1.0
197.13188	2.5
199.11214	0.8
199.14784	4.4
201.12741	1.3
201.16411	1.6
203.14359	3.5
205.15833	1.2
207.11816	0.6
209.13214	1.3
210.14107	0.5
211.14781	2.3
213.12762	3.3
213.16388	2.0
215.14285	3.0
217.15884	4.4
219.13660	0.6
223.14828	0.7
225.16402	0.6
227.17947	1.3
229.15907	1.3
229.19638	0.8
231.13763	4.5
231.17474	0.8
233.15404	1.1
235.16893	0.8
237.16402	0.8
239.18080	0.5
241.15897	0.7
241.19489	0.8
243.17612	0.6
245.15381	0.5
249.14754	0.9
251.18037	0.9
253.19534	1.3
257.19006	1.0
263.18121	0.5
267.15845	0.5
267.21152	0.6
271.20526	1.3
273.18564	0.6
279.21075	0.5
289.17871	0.8
293.22577	0.7
297.18842	0.5
297.22073	0.9
299.20135	0.6
339.23038	0.5
341.21243	0.5
357.24350	1.3
369.24146	0.6
375.30228	0.6
385.28802	1.2
391.30002	1.4
393.31784	0.6
403.30057	3.4
407.26111	0.6
421.31018	8.5
423.28937	0.5
425.30844	0.6
431.29550	1.0
437.30408	4.0
439.32086	3.7
449.30420	9.4
455.31650	1.1
457.33038	2.5
467.31546	26.7
485.26743	0.4
485.32605	15.1
503.33633	100.0
504.33737	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3363
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
51.26212	2.7
55.05500	13.7
57.03422	2.4
57.07050	2.6
67.05492	25.6
69.03408	17.5
69.07053	17.6
69.53818	2.5
71.21229	5.8
71.60304	2.6
72.06398	2.4
79.05463	15.3
81.03446	3.3
81.07055	41.7
83.04972	7.5
83.08613	6.6
85.02895	10.0
91.05470	25.8
93.07034	46.3
95.04958	10.1
95.08595	63.3
95.09152	4.8
97.02344	2.6
97.02865	13.5
97.06527	8.8
97.10161	5.0
98.21301	3.6
99.04442	4.1
103.05465	2.5
105.07021	55.5
107.04942	3.0
107.08585	66.9
109.02886	9.8
109.06517	17.4
109.10152	28.3
111.04436	9.6
111.08054	6.1
113.06040	3.7
115.03905	16.5
115.05489	2.6
117.07021	10.2
119.08569	100.0
121.06487	8.4
121.10123	56.7
123.08077	10.2
123.11704	11.4
127.03913	7.8
127.07571	3.3
129.06984	7.0
130.07797	2.5
131.08540	42.3
133.06487	6.5
133.10121	56.3
133.11064	5.5
135.08075	13.3
135.11671	34.7
137.05956	6.0
137.09644	4.5
139.07498	4.8
141.07014	3.0
142.07829	3.6
143.08548	14.5
144.09337	5.8
145.06522	2.7
145.10110	72.1
147.08060	12.8
147.11673	54.4
147.12781	4.4
147.71025	2.5
149.09631	5.9
149.13231	24.5
151.07574	4.5
153.09145	3.6
155.07051	4.2
155.08508	6.7
156.09357	6.6
157.10123	24.0
158.10794	2.7
159.08083	8.7
159.11665	48.0
159.12843	3.9
161.09633	11.6
161.13217	29.4
163.07520	3.7
163.11217	8.8
163.14777	24.9
165.09105	2.9
169.10080	4.4
170.10884	4.6
171.11652	18.2
173.09653	7.3
173.13246	32.8
175.11263	9.2
175.14827	35.7
177.09061	4.9
177.12791	5.5
177.16370	27.7
179.10655	3.5
179.14371	3.0
183.11662	13.4
185.13261	22.2
187.11192	7.1
187.14783	75.7
189.12715	17.0
189.16373	58.3
191.10631	4.1
191.14352	7.5
191.17986	11.2
195.11748	3.6
197.13258	9.2
199.14861	10.6
201.12756	13.0
201.16336	51.1
203.14307	22.2
203.16354	3.2
203.17894	21.4
205.12175	3.4
205.15778	12.3
207.13832	7.2
207.17497	3.4
211.14876	8.4
213.12749	4.0
213.16389	10.2
215.14288	18.2
215.17912	16.4
217.15932	9.4
217.19553	3.5
219.13860	7.4
221.15361	10.6
225.16458	5.1
227.14330	3.1
227.17964	10.1
229.15875	9.5
229.19530	10.2
231.13762	6.2
231.17212	2.7
231.21117	3.4
233.15340	19.5
235.16853	16.2
237.16451	4.1
239.18031	4.4
241.19641	5.4
243.17485	5.9
243.21124	3.4
247.16913	38.5
249.14760	3.5
249.18596	3.6
261.18497	8.2
265.17990	3.4
267.15860	7.1
273.18625	3.1
275.20169	5.9
279.21170	2.8
309.25742	7.8
325.28876	3.8
335.27341	4.4
355.26419	3.2
373.28735	4.5
391.29837	28.8
393.31653	3.9
403.29919	18.8
409.31079	32.6
411.28653	3.9
419.29312	5.5
421.30954	50.9
431.29456	3.5
437.30493	24.8
439.31982	32.6
449.30551	29.7
455.31516	50.9
457.33017	20.3
467.31448	38.3
485.32648	31.4
503.33707	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	503.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	0.7
55.05417	2.4
57.03368	0.4
57.06994	0.5
65.03870	0.9
67.05399	6.5
67.05789	0.9
69.03345	0.9
69.06962	3.7
70.30689	0.4
70.89058	0.7
77.03850	0.5
79.05381	3.8
81.03339	0.8
81.06944	9.1
81.07458	0.8
83.04907	0.7
83.08504	2.8
85.02803	0.9
91.05457	6.3
93.06922	10.9
93.07561	0.7
94.57814	0.5
95.04848	2.4
95.08479	12.5
95.09141	1.1
97.06406	1.6
97.06939	0.5
97.10080	0.9
100.40829	0.4
105.07016	14.0
105.10743	0.4
107.04819	0.5
107.08582	14.1
109.06384	1.6
109.10139	9.2
111.08055	2.3
113.99499	0.4
114.08823	0.4
117.07008	3.6
119.08564	23.1
119.09335	1.0
121.06396	0.9
121.10126	8.8
121.10931	0.4
123.08024	2.6
123.11575	1.5
125.09538	0.4
128.06073	0.8
129.06990	2.5
130.07654	0.7
131.08559	12.0
131.73952	0.4
133.10118	12.1
135.08049	2.2
135.11678	4.9
137.09529	1.0
139.03773	1.6
140.04105	1.0
141.06860	0.9
142.07607	1.5
143.08542	7.9
144.09210	0.7
145.06390	0.6
145.10106	15.9
147.07890	1.5
147.11673	8.0
149.09482	1.7
149.13249	2.2
149.14157	0.4
151.07372	0.4
151.11081	1.0
153.09003	1.0
155.08562	2.1
156.09172	1.3
157.10114	8.7
158.10806	0.5
159.07947	0.9
159.11684	11.3
161.09682	2.0
161.13243	6.0
163.07472	0.8
163.11050	1.2
163.14758	2.2
165.08974	0.6
169.10074	2.9
170.10735	1.6
171.11659	6.2
172.12323	0.4
173.09398	0.6
173.13242	9.4
173.57748	0.4
175.07449	0.5
175.11035	1.3
175.14792	7.7
177.12587	1.5
177.16216	1.7
179.10515	0.4
181.10005	0.6
182.10802	0.6
183.11679	2.6
184.12355	0.5
185.13243	14.5
187.11128	0.5
187.14803	14.9
189.12686	2.0
189.16362	3.2
191.10686	0.5
191.14279	2.7
191.17780	0.8
193.10007	0.5
195.11591	0.8
195.13480	0.4
197.13231	2.6
199.11058	0.5
199.14792	11.0
201.12511	1.4
201.16345	8.9
203.12433	0.6
203.14281	11.1
203.17783	1.7
205.15874	2.0
207.11765	0.4
207.13588	1.0
207.39876	0.5
209.13078	1.0
211.14848	2.8
213.16376	4.7
215.14166	1.8
215.17818	0.9
217.15912	3.1
219.17302	0.5
221.13235	0.9
221.15274	1.2
223.14616	1.5
225.16350	2.0
227.17979	2.5
229.15775	1.6
229.19257	0.6
231.13708	1.1
231.17264	1.5
233.15221	1.2
235.16812	1.2
237.16321	1.2
239.17786	1.6
241.15723	0.5
241.19373	0.5
243.17232	0.4
245.15385	2.4
247.16847	1.8
249.14685	4.0
251.18100	0.7
253.19379	1.5
257.18869	0.4
259.16837	1.0
267.20996	1.0
273.18555	0.5
277.19345	0.6
279.20956	0.6
281.22467	0.7
285.18430	0.5
293.22720	0.6
295.20523	0.4
299.19760	0.5
317.22345	0.6
319.24048	0.7
333.25476	0.5
367.26422	0.6
385.28989	0.8
391.29987	2.0
403.29883	3.9
405.31491	0.8
409.31049	0.6
419.29343	0.6
421.30972	7.5
423.32507	0.6
431.29346	1.5
433.03766	0.5
437.30255	0.9
439.32214	2.0
449.30521	5.3
455.31519	100.0
456.31946	1.5
457.33441	2.2
467.19775	0.6
467.31488	5.0
485.32938	3.0
496.34113	4.7
503.33649	27.3
504.34213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3363
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
52.11363	0.7
55.01861	1.2
55.05496	4.4
59.85789	0.9
67.05503	7.5
69.03439	1.0
69.07050	2.9
69.55931	7.0
77.47550	0.8
79.05479	5.7
81.07044	11.0
83.04956	1.7
83.08601	1.9
85.02946	0.9
91.05470	7.1
93.07031	14.7
95.04943	1.1
95.08598	17.8
97.06512	1.9
99.08079	3.7
105.07021	16.2
107.04985	1.3
107.08584	16.4
109.06476	1.7
109.10136	9.5
111.08064	2.8
117.07018	4.4
119.07777	1.7
119.08575	27.3
121.06483	2.5
121.10128	11.4
123.07258	0.8
123.08067	3.0
123.11671	2.4
125.09586	1.3
129.06973	2.2
131.08546	15.4
133.10114	15.4
135.08034	3.6
135.11681	6.2
137.09546	1.7
141.06955	1.5
142.07738	1.9
143.08551	9.5
145.10107	18.6
147.08075	2.2
147.11674	14.3
149.09557	2.4
149.13243	3.9
153.09108	1.5
155.08524	1.2
156.09387	1.0
157.10109	9.8
158.10915	1.1
159.08047	1.8
159.11678	15.5
161.09581	2.2
161.13242	6.9
163.11086	1.1
163.14778	1.9
169.10109	2.8
170.10893	0.8
171.11717	6.3
173.06119	1.0
173.09612	1.2
173.13248	13.8
174.28279	0.9
175.11177	1.5
175.14827	6.6
177.12793	1.9
177.16319	1.5
182.10907	1.0
183.11661	3.4
185.13234	12.1
187.14803	19.1
189.12741	5.3
189.16290	4.5
191.14343	2.7
195.11703	1.1
197.13324	4.6
199.14777	12.1
201.12752	1.2
201.16357	12.4
203.14276	9.6
203.17950	2.8
205.15849	2.7
207.13786	1.3
209.13266	2.2
211.14778	4.1
213.16389	4.9
215.14252	3.8
215.17767	1.2
216.81068	0.9
217.15880	3.9
219.13763	2.4
219.17386	2.1
221.15358	3.8
223.14696	1.3
225.16451	1.5
227.17952	2.4
229.15797	2.4
231.17432	1.5
233.15292	1.9
237.14621	1.2
239.18071	1.5
241.19417	1.6
245.15428	2.1
247.16817	1.8
249.14841	2.9
265.19589	1.1
273.18442	1.1
385.28677	1.1
391.29800	3.1
403.29974	6.4
409.20200	1.0
409.30960	3.0
421.30807	8.9
431.29324	1.8
437.30457	3.2
439.32086	3.5
448.10474	1.0
449.30518	5.1
455.31506	100.0
456.31659	1.9
457.33032	2.1
467.31683	6.9
485.32501	2.8
496.33966	3.6
501.67706	1.0
503.24655	2.6
503.33658	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	503.3361
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
51.30275	0.4
53.03841	0.6
55.05376	2.3
55.05669	1.3
57.06980	0.6
65.03851	0.5
67.05350	4.5
67.05753	1.6
69.03296	0.6
69.06915	2.2
70.90119	1.1
77.15065	0.4
79.05322	3.7
79.05830	1.1
80.12229	0.4
81.06885	7.5
81.07423	1.8
83.08450	2.1
85.02773	0.6
85.06395	0.6
91.05309	5.0
91.05914	0.9
93.06860	8.4
93.07516	1.4
95.04772	1.7
95.08424	13.4
95.09095	2.1
97.06348	1.7
97.10000	0.6
97.66560	0.4
99.07928	1.3
99.08526	0.9
105.06836	12.0
105.07623	1.5
107.08396	10.8
107.09177	1.5
109.06319	1.9
109.09956	7.2
111.07868	1.6
111.08582	0.5
115.05270	0.5
117.06810	2.7
118.15396	0.4
119.08372	21.7
119.09319	2.1
121.06323	1.1
121.09932	10.0
123.07863	2.1
123.11494	1.7
125.09470	0.6
128.06129	1.0
129.06798	2.6
131.08353	12.1
131.09395	0.8
133.09912	12.8
133.11029	1.2
135.07843	1.6
135.11484	4.8
137.09479	1.0
139.03651	1.5
140.04120	1.1
141.08951	0.9
142.07538	2.0
143.08348	7.7
143.09547	0.6
144.09209	0.6
145.09903	18.9
145.11121	1.1
147.07835	1.5
147.11465	7.7
149.05711	0.5
149.09422	1.3
149.13034	1.8
151.11023	0.8
153.08958	0.7
155.08321	1.8
156.09163	1.7
157.10110	9.5
158.10713	1.1
159.11670	11.6
159.12874	0.6
161.09369	1.5
161.13255	6.1
161.14436	0.7
163.07339	1.3
163.11041	0.9
163.14601	1.8
167.08324	0.6
169.10143	3.9
170.10709	1.3
171.11652	5.7
173.13232	9.7
175.11034	1.4
175.14809	5.7
177.12498	1.3
177.16261	1.2
179.14148	0.7
181.09917	1.0
183.11668	3.4
185.13239	10.2
187.10986	0.8
187.14804	15.4
189.12498	2.1
189.16353	2.9
191.10541	0.6
191.14056	1.6
195.11508	1.1
197.13258	3.3
199.14803	11.1
201.12497	0.7
201.16364	7.7
203.14293	8.7
203.17790	0.7
205.15889	2.6
209.13234	2.4
211.14847	3.6
213.16385	5.3
215.14291	3.1
215.17657	1.3
217.15857	2.7
219.13632	1.2
223.14632	1.2
225.16161	1.7
227.17677	1.3
229.15636	1.8
231.17236	1.0
233.15204	1.2
235.14557	0.6
235.16606	0.5
237.16243	1.2
239.17760	1.0
241.15582	0.6
241.19237	0.6
245.15114	1.7
247.16852	1.2
249.14827	3.4
251.17688	0.7
253.19312	1.3
255.20959	0.6
259.16794	1.0
263.17746	1.0
265.19385	0.9
267.20920	1.0
273.18283	0.6
277.19177	0.5
279.20917	0.8
299.19904	0.7
361.99527	0.6
365.24857	0.6
373.28946	0.6
385.28625	1.0
390.86670	0.5
391.29990	2.9
402.94586	0.5
403.29831	6.0
405.31082	0.7
409.30716	1.0
411.32092	0.5
419.29254	1.1
421.30994	8.2
423.32385	0.7
431.29236	2.6
437.30585	1.8
439.31683	2.5
449.30435	7.1
455.31519	100.0
456.32141	1.0
457.32849	1.1
467.20123	0.6
467.31680	4.4
485.33301	2.3
496.34009	4.0
503.33661	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	503.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.05506	3.5
55.53593	0.7
57.03418	1.1
65.03936	0.9
67.05492	7.6
69.03405	1.3
69.07059	5.3
70.26116	2.0
75.39715	0.6
79.05487	5.7
81.07049	10.6
83.04957	1.4
83.08601	2.9
84.62476	0.7
85.02882	1.8
86.70954	0.7
91.05459	10.2
93.07030	14.3
94.38689	0.7
95.04942	2.4
95.08030	1.3
95.08587	15.0
97.06490	2.4
99.08056	2.6
103.05388	0.8
105.07015	18.8
107.04973	0.8
107.08578	16.7
109.06463	1.8
109.10136	10.1
111.08060	2.7
113.06007	1.2
115.05400	1.0
116.06173	0.8
117.07008	3.6
119.08559	31.7
121.06457	1.8
121.09308	1.2
121.10129	13.0
123.08051	3.3
123.11671	2.4
125.09592	1.3
128.06235	1.2
129.06952	2.4
131.08554	16.1
133.10112	16.7
135.08029	2.7
135.11673	6.1
137.09616	2.3
139.90630	0.7
140.05232	0.7
141.06970	1.1
142.07739	2.5
143.08539	7.9
144.09366	0.9
145.10098	19.9
147.08035	2.3
147.10649	1.0
147.11678	12.1
149.05966	0.8
149.09608	1.4
149.13213	3.3
151.11140	1.0
153.09099	1.7
155.08559	2.3
156.09264	1.5
157.10103	11.4
159.11691	13.1
161.09592	3.3
161.13254	7.9
163.07507	1.7
163.11163	1.2
163.14754	2.3
169.10085	3.6
170.10893	2.1
171.11655	8.4
173.13219	14.3
175.11182	1.8
175.14799	9.8
177.09032	0.9
177.12766	1.7
177.16310	1.7
179.14401	0.8
181.10144	1.8
182.10823	1.4
183.11688	4.0
184.12523	0.9
185.13240	14.0
187.11151	1.6
187.14786	18.6
189.12689	6.2
189.16331	6.0
191.14342	4.9
191.17926	1.9
195.11618	1.2
197.13258	4.2
199.14803	13.3
201.12729	1.3
201.16351	11.4
203.14272	10.4
203.17943	2.5
205.15834	2.9
207.13869	1.1
209.13222	1.0
211.14789	2.6
213.16348	6.1
215.14325	3.8
215.17914	1.6
217.15776	4.3
219.13741	1.1
219.17355	1.9
221.13409	1.1
221.15199	3.9
223.14949	1.1
225.16295	2.1
227.14143	1.3
227.17934	2.7
229.15784	2.3
229.19475	1.1
231.13640	0.8
231.17427	2.1
233.15349	2.0
235.16878	1.4
239.17944	1.7
245.15315	2.9
247.16881	1.0
248.63400	0.8
249.14746	3.9
253.19534	1.7
259.17007	1.1
267.20859	0.8
391.29843	4.1
403.30032	4.7
405.31219	0.9
409.30823	1.5
421.30917	8.4
423.32492	2.0
437.30188	2.4
439.31989	3.6
449.30612	4.7
455.31500	100.0
456.31598	2.0
467.31793	5.0
485.32852	3.5
496.34113	3.8
503.33722	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	503.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31366	2.5
53.03922	3.5
55.05496	11.3
57.07063	2.8
61.02900	3.3
67.05491	10.7
69.03061	5.1
69.03419	44.9
69.07050	11.8
69.42430	13.3
69.42866	12.2
70.06578	5.1
71.04967	5.7
71.07123	2.5
72.08134	2.9
79.05483	16.8
81.03404	5.8
81.07045	28.9
83.04970	4.9
83.08618	7.3
85.02901	24.2
85.06528	5.5
85.07674	2.5
91.05441	17.2
93.07037	27.5
95.04951	8.4
95.08592	32.8
96.05286	2.5
97.02881	8.4
97.06520	8.0
98.20675	5.4
99.08073	4.5
99.74424	3.0
105.07015	41.8
107.08572	40.8
109.02913	3.6
109.06502	9.7
109.10146	19.5
111.08067	7.7
115.05459	3.6
117.06994	10.6
119.08562	57.8
120.08076	2.7
121.06496	11.9
121.10123	37.6
123.08053	9.1
123.11668	11.4
125.06000	4.1
125.09588	21.5
127.03870	9.0
127.07533	2.4
128.06184	2.6
129.07027	6.2
131.08540	34.9
133.04974	2.6
133.06520	2.9
133.10107	53.3
135.04419	2.6
135.08073	15.0
135.11678	16.4
137.05960	17.8
137.09604	7.1
141.07053	2.5
142.76328	2.4
143.08536	21.2
145.04961	4.0
145.10114	46.6
147.04533	2.9
147.08015	3.0
147.11708	22.4
149.09619	7.0
149.13219	9.6
151.11203	7.3
153.09065	11.7
155.08548	4.5
156.09274	2.6
157.10112	26.2
158.10794	5.5
159.11661	29.3
161.05922	3.8
161.09584	9.4
161.13246	11.8
163.03836	12.8
163.07498	6.3
163.11171	6.9
163.14793	10.9
165.09106	3.0
165.12775	4.7
169.10184	7.3
170.10789	4.0
171.11676	18.1
173.13243	59.9
175.11105	5.5
175.14777	13.3
183.11621	9.3
185.13281	21.1
187.11099	4.4
187.14787	29.9
189.12737	6.2
189.16335	8.5
191.14276	100.0
192.14458	3.3
193.12215	3.0
197.09494	2.6
197.13280	7.1
199.14807	21.7
201.12697	7.1
201.16270	18.0
203.14284	16.2
203.18039	2.9
205.15881	9.3
207.13779	3.7
209.13333	3.2
209.15329	87.9
209.17329	4.4
210.15718	3.6
211.14799	6.1
212.73880	2.7
213.16336	8.5
215.14333	4.9
215.17787	3.5
217.15858	15.5
219.13863	2.7
219.17389	3.1
221.15317	16.8
223.14857	4.0
227.17921	2.9
229.15778	3.3
231.17332	2.9
233.15347	5.2
235.16737	2.9
242.82869	2.7
245.15356	5.8
263.16330	5.1
267.09137	2.7
285.10187	4.9
287.05447	10.8
299.06290	3.2
358.98489	6.9
361.02454	4.0
376.99323	5.6
391.29788	6.6
403.29645	4.6
409.31039	6.6
421.31058	17.9
437.30447	4.8
439.31989	16.7
449.30188	6.2
454.56985	2.7
455.31378	30.2
457.32761	6.6
467.31537	19.5
485.20322	3.2
485.32379	8.3
503.02536	10.0
503.19070	46.1
503.33261	11.7
504.19962	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	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.6
55.05499	5.6
57.03415	4.3
57.07063	2.5
67.05489	10.4
69.03414	10.0
69.07047	9.2
69.67216	7.3
69.67638	8.4
71.04979	5.1
72.08131	2.3
77.03915	2.9
79.05477	14.2
80.06790	2.0
81.03397	4.3
81.07047	30.4
83.04961	7.3
83.08585	6.0
85.02894	23.8
85.06520	2.5
86.09681	3.9
91.05447	17.4
93.07038	31.5
95.04954	7.8
95.08588	42.1
97.02876	10.1
97.06506	12.0
98.20732	3.6
99.04440	3.1
99.08099	5.4
103.05434	3.0
105.07010	47.3
107.04956	4.5
107.08579	41.4
109.02876	3.9
109.06507	13.4
109.10125	18.1
111.08099	3.9
115.03927	3.2
117.06995	11.3
119.01893	4.3
119.08563	55.8
119.09423	2.9
121.06496	11.2
121.10117	30.4
123.08033	9.3
123.11674	5.4
125.09469	2.3
127.03892	5.0
128.06172	2.7
129.06975	7.3
130.07661	2.8
131.08548	40.6
133.06517	2.9
133.10092	40.6
135.08055	7.6
135.11661	10.4
137.05986	12.5
137.09578	9.8
142.07755	7.5
143.08545	21.4
144.09335	3.4
145.04973	2.5
145.09029	4.2
145.10100	50.0
147.08025	5.3
147.11667	29.1
149.09633	10.2
149.13243	10.9
151.07541	5.6
151.11169	16.9
153.22522	2.4
155.08479	2.5
156.09264	5.6
157.10100	27.1
158.10817	4.8
159.07971	4.8
159.11659	45.3
161.09616	11.0
161.13243	17.4
163.03926	3.0
163.11108	7.2
163.14796	8.3
165.09019	2.9
165.12727	32.1
167.05562	2.4
167.10638	2.4
169.10158	7.3
170.10834	5.2
171.11676	20.5
173.13254	49.8
175.07497	2.4
175.11156	6.4
175.14804	17.9
177.05391	4.3
177.12764	5.4
177.16273	11.0
181.10182	2.3
182.10907	2.4
183.11676	11.2
185.13217	34.6
187.11134	2.8
187.14796	45.7
189.09045	3.0
189.12730	6.8
189.16322	14.2
191.14287	48.0
191.17908	2.8
193.15869	6.9
197.13184	8.5
199.14819	31.6
201.12686	4.7
201.16347	22.2
203.14273	22.3
205.12433	2.6
205.15863	19.5
207.17436	2.3
209.15331	100.0
209.17345	5.4
211.14726	6.5
213.16336	7.9
215.14372	3.4
217.15898	23.2
219.08070	2.8
219.13673	2.8
219.17386	6.0
221.02660	2.7
221.15324	23.8
225.16376	5.1
227.14360	3.4
227.17848	3.5
229.15785	4.6
231.17433	4.2
233.15405	8.8
235.16911	4.5
241.19582	2.4
243.17400	2.9
245.15324	5.0
299.06061	3.4
299.09421	4.9
337.25250	2.4
371.16312	4.1
371.20645	2.9
373.28784	3.1
389.28738	2.5
391.29871	10.5
403.29651	7.3
409.30920	12.7
419.29773	3.5
421.31009	23.5
423.32132	2.9
437.30466	4.6
439.31940	27.1
443.13480	5.1
449.30252	8.7
455.31250	5.1
457.33047	9.0
467.31921	12.0
473.31659	2.6
485.32928	5.1
503.05780	2.7
503.20593	76.4
503.33578	5.1
504.20120	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	503.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00561	3.7
53.03923	3.9
55.05502	13.2
56.96094	4.0
57.07055	3.7
59.98279	3.6
67.05493	14.2
69.03403	16.1
69.07049	13.8
70.06568	7.9
71.13808	11.6
72.08134	4.8
79.05466	20.9
81.03399	7.2
81.07042	39.4
83.04943	6.8
83.08585	7.5
84.04470	4.2
85.02898	23.0
85.06557	4.1
86.09675	11.7
87.04414	6.0
91.05449	27.2
93.07038	34.1
95.04935	8.0
95.08584	42.8
97.02872	9.7
97.06507	9.7
98.97564	5.9
105.07013	70.0
107.08588	45.7
109.06509	9.4
109.10139	23.8
111.08034	4.9
117.06998	13.0
119.07761	7.0
119.08565	74.8
121.06516	10.6
121.10119	30.2
123.08015	12.8
123.11668	6.2
127.03883	5.4
129.06937	10.6
131.04886	4.7
131.08528	53.2
133.10103	62.8
135.08051	14.3
135.11676	15.4
137.04979	8.4
137.05957	100.0
137.09564	7.0
142.07712	7.0
143.08537	27.8
145.10080	69.9
147.08003	8.5
147.11690	36.4
149.05949	5.3
149.09618	7.2
149.13231	7.1
155.08545	8.5
156.09303	7.4
157.10089	30.5
158.10818	5.4
159.11697	58.4
161.05948	12.7
161.09566	8.5
161.13268	36.4
163.11159	8.4
163.14841	12.4
167.05553	5.6
169.10115	7.7
170.10858	10.0
171.11668	31.2
173.13251	75.9
175.07553	25.6
175.11176	10.7
175.14818	30.5
177.12799	7.6
177.16356	6.9
183.11635	16.7
185.13228	48.2
187.07549	9.4
187.11171	5.0
187.14807	69.5
189.12683	8.9
189.16341	18.0
191.08461	6.1
191.14276	74.7
197.13145	11.4
199.14772	60.8
201.12439	6.6
201.16350	38.8
203.14291	38.4
203.17889	9.4
205.15851	18.5
207.13741	4.9
211.14836	8.1
213.16405	16.2
215.14272	9.0
217.08636	4.3
217.15788	27.2
219.07928	10.6
219.17441	8.4
221.15359	34.0
225.16196	4.1
229.15785	5.3
231.07997	4.5
233.15300	8.8
235.16887	5.1
237.14540	6.2
239.16283	5.4
245.15356	11.1
246.14775	10.4
251.10570	14.6
259.16849	5.1
263.16446	4.9
279.10178	6.7
292.10928	5.5
294.35623	4.4
302.04147	8.2
303.04822	15.7
309.11246	4.8
311.12695	26.1
323.12701	14.1
324.79919	4.1
342.06042	42.8
377.01761	49.8
378.02490	3.9
391.29758	6.2
395.02838	24.7
403.29886	16.8
405.31308	5.5
409.30759	11.9
421.30884	41.3
423.32339	10.2
437.30582	6.6
439.31903	42.8
449.30286	19.2
450.71753	4.0
455.31500	49.8
457.33032	18.9
467.31650	27.4
485.32571	5.2
491.37314	4.2
503.05606	52.3
503.18353	28.6
503.33936	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	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01853	2.4
55.05503	15.9
56.96557	3.3
57.07072	3.7
59.70201	2.1
61.02920	5.1
67.05499	25.0
69.03423	10.5
69.07068	25.3
71.02545	3.2
71.03242	2.0
71.04995	3.7
71.62722	2.0
72.55064	2.1
73.02898	4.8
79.05473	19.5
81.03418	9.2
81.07047	57.4
83.04961	2.6
83.08607	14.8
85.02889	22.6
87.00813	6.3
88.48149	2.5
91.03968	3.3
91.05466	31.6
93.07031	48.4
95.04961	7.8
95.08597	68.5
97.02885	15.0
97.06535	5.2
97.10144	7.0
99.04459	4.1
99.08075	3.0
105.01861	16.3
105.07018	69.7
106.07320	3.5
107.08583	57.8
108.08991	2.0
109.02860	7.1
109.06527	4.3
109.10138	46.6
111.08075	5.0
115.03923	4.4
117.06975	2.5
119.08569	90.3
120.08041	2.4
120.08875	4.1
121.06505	3.7
121.10130	36.9
123.08053	5.3
123.11664	16.4
125.09601	13.4
127.03902	17.5
131.08543	11.2
132.08910	2.2
133.04878	2.5
133.10114	46.8
135.11681	19.7
145.04965	12.8
145.10097	12.7
146.10481	2.6
147.11670	56.0
147.35010	2.0
148.12024	4.4
149.13152	3.4
157.10133	3.4
158.10487	2.9
159.11655	4.9
160.12218	2.7
161.13242	20.5
163.14789	5.2
165.12766	7.8
173.09465	2.6
173.13266	5.4
175.14804	100.0
176.15111	3.3
177.16327	4.4
185.13303	3.1
186.13542	2.6
187.14873	4.9
188.15169	3.8
203.14308	3.5
203.17915	52.6
204.14705	3.0
219.13831	2.2
221.18944	6.5
229.07524	2.9
231.04857	10.0
248.07666	3.2
249.06116	4.8
266.08536	2.9
267.09006	5.3
269.10547	2.6
284.09756	11.1
285.10025	8.2
367.17889	6.7
374.15726	5.6
410.31061	2.8
421.60242	2.3
422.31354	5.1
440.32385	4.1
456.31754	6.2
458.33115	4.8
479.72183	3.1
486.16452	3.2
504.33658	8.1
511.28323	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	504.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05505	8.3
57.03184	0.7
57.03432	7.8
57.05828	0.5
57.07064	0.6
61.19380	0.4
65.03924	1.5
67.05496	34.1
69.07059	7.6
70.06600	2.4
71.04973	0.5
71.62214	0.7
72.08144	62.6
77.63863	0.5
79.05482	16.6
79.18043	0.5
81.07047	27.6
83.04964	1.0
83.08618	3.0
85.06509	0.5
85.81937	0.6
91.05462	8.1
93.07030	18.9
95.04930	2.7
95.08593	22.8
97.06511	1.2
97.10162	1.2
98.21114	0.7
98.98444	3.1
105.06499	0.5
105.07027	5.6
107.08565	8.4
109.06506	1.9
109.10144	7.0
113.51843	0.5
117.06985	1.5
119.08561	5.4
121.10136	6.8
123.08018	1.3
123.11658	2.2
131.08603	3.1
133.10110	2.8
135.08092	0.8
135.11679	3.0
135.19133	0.5
137.13196	0.9
145.10110	2.2
147.11626	1.5
149.13228	1.3
159.11673	1.5
161.13243	1.5
163.14937	0.6
170.05751	64.9
173.13261	0.9
179.14331	0.9
180.14554	1.2
187.14780	0.8
205.15923	0.7
261.22125	0.8
327.51572	0.6
332.26672	2.7
335.25754	100.0
336.26080	0.6
388.29086	0.8
406.30276	2.3
406.91858	0.7
504.27405	1.2
504.34039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2636
Annotation	Foliasalacioside B2
Peak:m/z	Relative Intensity
55.05499	5.9
65.59202	1.8
67.05476	6.2
69.03406	6.0
69.07040	7.3
70.06554	2.0
71.01942	5.1
71.04987	3.4
72.08132	2.3
79.05481	6.3
81.03380	2.2
81.07042	14.7
82.06496	1.7
82.97260	1.7
83.08581	3.9
85.02899	12.3
86.09698	2.0
91.05463	7.4
93.07030	12.5
95.04950	6.5
95.08596	17.0
97.02838	3.1
97.06499	3.6
99.08070	2.9
103.05424	3.1
105.07018	17.5
107.08562	14.8
108.08928	2.2
109.02866	2.1
109.06510	5.9
109.10127	16.0
111.08058	7.2
117.07033	3.1
119.08561	21.1
121.06475	2.7
121.10136	11.0
123.08060	10.7
123.11684	6.5
125.09646	2.1
127.03918	3.7
131.08557	6.0
133.06476	2.5
133.10115	14.7
135.08015	3.5
135.11681	14.7
137.05963	9.9
137.09613	19.1
138.10373	2.0
143.08540	6.2
145.10135	10.6
147.04433	2.8
147.08034	2.4
147.11664	7.0
149.05939	2.0
149.09601	2.9
149.13245	4.8
150.18929	2.1
151.03889	1.9
151.07455	2.4
153.09088	2.3
157.10109	4.2
159.08051	2.6
159.11674	8.4
161.06015	2.5
161.13206	4.3
163.07532	4.0
163.14774	2.4
165.12738	5.0
167.07033	6.3
171.11638	4.5
173.06148	2.3
173.13222	5.4
175.07588	2.7
175.11293	2.5
175.14848	16.5
177.09132	2.7
181.08644	3.3
183.11723	2.8
185.13171	4.5
187.14847	6.0
189.12682	3.9
191.14279	7.4
193.08617	4.2
193.15860	13.2
201.16354	3.6
211.16905	100.0
213.16388	2.3
215.14125	2.3
221.15323	3.6
222.40538	2.1
229.15886	2.0
231.10828	2.1
291.01794	2.0
303.04865	2.3
312.41183	2.2
331.25516	1.9
421.48834	2.1
423.32428	2.7
441.33319	3.2
459.30676	3.5
487.30246	4.3
505.16049	4.5
505.31717	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	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
55.01866	2.0
55.05507	20.0
56.96557	4.8
57.03437	8.0
57.07052	1.6
60.08148	4.5
61.02908	3.6
65.03942	4.1
67.05499	65.3
68.05819	1.6
69.03404	3.7
69.07060	15.2
69.88881	8.2
71.04989	3.5
71.07360	3.7
73.02897	3.0
73.06541	2.1
79.05487	82.8
81.03403	9.6
81.07050	51.2
83.04626	1.0
83.04980	10.9
83.08618	10.0
85.02856	2.9
85.06528	3.4
86.09194	2.4
86.09696	33.7
91.03935	2.1
91.05469	69.8
93.07033	86.6
94.07378	2.1
95.04963	27.4
95.08595	29.0
96.08925	1.5
97.02865	4.7
97.06500	4.4
97.10233	5.9
98.20801	1.5
98.97581	4.4
98.98447	4.6
104.10747	2.3
105.04546	1.8
105.07021	52.5
107.04926	6.7
107.08582	23.4
109.06494	9.8
109.10146	10.1
111.08055	2.4
116.98626	3.1
117.07013	15.1
119.08574	30.3
121.06496	4.7
121.10142	6.7
123.08024	6.5
125.00000	15.8
127.07542	1.4
128.06206	3.7
129.06993	21.5
131.00169	3.8
131.08539	5.6
133.10117	14.3
134.99648	1.7
135.11678	3.8
138.42966	1.4
143.08565	13.1
145.10121	14.0
147.03067	2.7
147.08034	2.8
147.11678	51.3
149.01213	12.8
149.13263	2.1
156.03603	3.1
156.09332	2.8
159.11623	3.2
161.01205	2.3
161.09615	5.8
161.13249	16.9
163.11107	3.6
167.02303	7.5
167.54411	2.1
170.99631	1.8
171.11676	38.4
172.02788	1.8
173.13290	2.0
175.14786	1.6
177.00714	3.8
179.14346	1.9
184.07320	100.0
187.14713	1.6
189.00688	2.1
189.12721	14.7
191.02229	2.4
203.02255	2.5
207.13785	43.4
219.01640	1.5
221.15334	1.8
225.14815	8.4
263.16388	1.5
275.20074	2.4
277.13824	5.3
277.64001	7.2
278.13986	1.9
281.17450	68.9
293.05475	4.0
293.21054	1.3
311.06384	2.6
317.17850	1.9
318.34613	1.4
333.23938	2.2
335.61536	1.3
358.16370	25.9
358.66556	55.9
359.16748	20.3
359.66708	1.6
379.18027	2.4
469.29004	1.7
487.30487	77.5
488.31064	2.4
505.35010	2.4
506.32593	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.03890	2.4
55.05501	9.4
55.49984	2.7
57.03424	2.6
65.19737	3.1
67.05495	12.9
69.03413	3.3
69.07067	13.5
70.64257	3.6
70.64615	9.9
74.36439	2.8
76.22958	2.7
79.05484	15.8
81.07054	35.6
83.04962	3.0
83.08603	7.8
85.06524	4.2
86.65580	2.9
91.05460	25.6
93.07041	34.8
95.04955	7.8
95.08597	48.7
96.08949	2.6
97.06493	7.8
97.10148	4.1
97.48000	3.3
98.20887	3.3
99.08079	3.4
102.31143	2.6
105.07018	59.4
107.08589	53.8
109.06495	11.3
109.10142	24.2
111.08064	6.5
111.11660	2.5
117.07012	5.2
117.23917	3.0
119.08571	85.3
120.08967	3.2
121.06470	7.7
121.10124	37.6
122.10275	3.2
123.08066	7.5
123.11655	7.8
129.06976	4.8
131.08560	50.8
133.10110	53.9
134.10445	5.7
135.08008	5.2
135.11674	12.9
137.09630	6.0
142.07755	3.7
143.08502	10.2
145.10106	63.7
147.07997	4.2
147.11676	48.9
149.09605	9.5
149.13272	16.6
155.08553	3.9
156.09320	5.3
157.10109	14.3
159.11679	45.4
161.09579	12.3
161.13245	25.2
163.11162	9.4
163.14778	24.8
169.10085	3.4
170.10919	5.1
171.11670	15.3
173.13252	62.4
175.11156	5.0
175.14833	39.8
177.12715	5.0
177.16379	18.5
183.11710	7.8
185.13246	19.7
187.14804	74.5
189.12733	7.0
189.16400	21.2
191.14290	85.1
191.17973	4.3
197.13181	6.9
199.14844	17.0
201.12866	4.0
201.16357	100.0
202.16643	5.1
203.14275	32.4
203.17947	52.7
205.15918	17.2
211.14980	3.8
213.16318	14.0
215.17923	12.4
217.15898	10.2
217.19559	3.5
219.17485	15.2
221.15363	62.0
222.15666	3.0
223.17061	3.6
225.16396	4.0
227.17912	4.7
229.16002	4.3
229.19502	3.9
231.17406	4.5
231.20961	2.9
235.16879	8.8
237.27264	3.1
239.16307	14.1
243.20987	3.1
247.16924	33.2
248.17126	3.1
255.21001	3.8
261.18533	4.5
308.07425	2.9
321.81805	2.9
387.30380	7.0
393.31210	7.4
405.31503	22.1
407.33371	4.7
411.32471	8.1
421.30997	4.1
423.32535	59.0
424.32950	3.3
425.34058	7.1
433.31012	6.0
439.32065	8.3
441.33636	16.4
451.32123	15.7
459.34644	15.0
469.33237	19.8
470.33286	3.2
487.33865	8.4
505.35571	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	505.3517
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05496	9.8
61.43967	6.4
67.05492	17.8
69.07043	9.6
71.37217	14.5
73.41575	5.5
79.05479	11.0
80.11594	6.2
81.07037	36.5
83.04963	6.1
91.05453	18.5
93.07028	25.9
95.04914	11.1
95.08595	53.9
105.07035	43.7
107.08585	43.9
109.10122	27.7
116.33761	6.8
117.07018	11.2
119.08562	54.9
121.10114	23.9
123.11684	7.3
131.08540	28.1
133.10101	43.4
135.07994	9.8
135.11658	18.4
135.47624	6.0
143.08488	15.8
145.10092	31.1
147.08002	13.3
147.11668	30.0
149.13226	8.1
153.05617	6.5
153.09053	7.2
157.10107	19.7
159.11668	32.2
161.09558	15.8
161.13246	17.2
163.11064	8.0
163.14755	14.0
171.11664	17.7
173.13220	26.2
175.14711	29.9
177.16287	11.4
185.13187	7.1
187.14778	29.4
189.12708	35.5
189.16362	17.7
191.14247	8.1
191.17935	7.0
199.14778	14.1
201.16309	16.3
203.14365	29.3
203.17906	26.7
205.15840	8.0
211.14732	6.3
213.16426	15.2
215.14331	11.0
215.17888	9.9
217.15901	14.6
221.15387	22.4
229.15854	8.6
247.16795	10.6
249.18541	8.7
276.30875	6.3
387.30679	7.7
393.31464	15.1
405.31195	17.4
423.32477	19.2
433.30539	10.1
439.32007	100.0
441.33344	9.9
451.31961	12.4
459.34424	24.3
469.33398	38.5
487.33926	28.6
505.34906	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	505.3518
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05502	3.1
57.07050	1.1
67.05498	5.3
69.03403	1.2
69.07063	3.8
69.36944	3.7
69.37368	7.4
70.42981	1.1
71.04961	1.2
74.55627	1.0
76.97764	1.1
79.05482	3.6
81.07048	14.1
83.08631	2.9
89.24218	1.1
91.05457	6.1
93.07032	9.9
95.04971	1.5
95.08591	14.3
97.06531	2.0
98.20759	2.4
103.93295	1.2
105.07023	11.8
107.08582	16.2
107.72066	1.1
109.06517	3.3
109.10126	7.9
117.06987	2.2
119.08567	20.2
121.06473	2.5
121.10130	12.5
123.08054	3.9
123.11669	2.4
125.09628	1.4
129.06960	1.7
131.08557	11.7
133.10101	14.3
135.08025	2.4
135.11697	4.5
137.09605	2.8
137.13269	1.2
143.08546	3.9
145.10118	13.3
147.11682	8.6
149.09598	2.5
149.13258	4.4
151.11211	1.8
157.10117	4.7
159.11673	11.0
159.15547	1.2
161.09636	2.6
161.13222	6.7
161.38347	1.1
163.11198	2.3
163.14787	4.0
169.10060	1.9
170.10910	1.5
171.11661	3.2
173.13232	8.5
175.11166	2.3
175.14772	12.2
177.12770	1.9
177.16432	5.9
183.11662	1.9
185.13257	3.5
187.14838	11.8
189.12784	1.6
189.16293	5.4
191.14328	6.0
199.14769	3.7
201.16357	18.2
203.14294	14.1
203.17902	6.5
205.15840	9.6
211.14856	1.7
213.16377	4.2
215.14288	1.2
215.17943	3.0
217.15903	1.6
217.19516	1.4
221.15334	6.3
229.15878	1.7
229.19458	1.5
231.17552	1.2
235.16835	2.5
239.16388	11.6
241.19568	2.3
243.21031	3.0
247.16925	7.8
253.76656	1.2
255.21095	3.5
351.10745	1.1
363.25174	2.0
389.26932	2.5
393.31375	1.3
401.92920	1.1
405.31219	2.9
423.32425	9.0
433.30597	1.9
441.33484	6.8
451.31943	3.1
459.34637	100.0
460.35049	2.8
469.32968	4.7
487.33853	4.4
505.35577	6.2
520.50000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.64837	1.0
55.05497	2.7
63.30984	0.9
65.88702	1.0
67.05490	5.4
69.03414	1.7
69.07046	3.3
69.53482	8.7
76.52206	0.9
79.05483	3.2
81.07044	9.5
83.04978	1.7
83.08622	1.0
83.14345	0.9
91.05471	4.5
93.07034	9.7
93.34426	0.9
95.04958	1.4
95.08598	12.6
97.06522	1.1
98.20669	0.9
98.98463	1.3
99.04434	1.3
105.07032	11.4
107.08582	9.8
109.06525	1.7
109.10140	7.1
111.08006	0.9
117.07030	2.9
119.08564	14.4
121.06528	1.9
121.10114	11.3
123.08045	2.3
123.11697	2.8
129.07057	1.0
131.08545	8.6
133.10135	7.0
135.08008	2.3
135.11620	4.7
137.09595	1.4
142.07713	1.6
143.08490	3.6
145.10106	11.1
147.11679	7.8
149.09608	1.6
149.13234	5.2
157.10092	4.3
159.11673	8.8
161.13223	4.9
163.14827	7.1
164.70000	0.9
171.11609	1.6
173.13237	9.2
175.14815	7.5
177.16383	2.8
179.22478	1.3
185.13245	4.1
187.14804	10.7
189.16301	4.7
191.14310	13.5
199.14809	3.6
201.16356	6.5
203.14244	5.7
203.17883	2.1
205.15866	20.1
213.16292	2.8
215.18068	5.0
217.15945	2.3
219.17383	3.4
221.15302	1.6
227.17943	1.5
229.19519	1.4
231.17554	1.2
235.16824	1.4
241.19449	1.4
243.21118	1.3
247.17018	1.2
255.21033	1.7
259.20657	1.0
387.30203	1.7
405.31387	3.1
423.32553	3.1
439.31845	2.3
441.33566	3.8
451.32169	1.5
459.34662	100.0
460.35034	2.4
469.33182	11.5
487.34079	2.1
505.43829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
54.35621	2.0
55.05490	5.6
55.05755	1.3
57.03427	2.5
67.05492	8.9
69.07045	5.0
70.77537	4.8
79.05502	7.8
81.07046	20.1
83.04952	6.1
83.08609	4.7
87.49568	1.6
91.05469	10.1
93.07040	14.7
95.04934	3.9
95.08592	23.5
97.06509	2.1
105.07025	22.0
107.08582	24.2
107.59455	1.8
109.06496	7.1
109.10143	9.9
111.08084	2.4
117.07005	4.9
119.08566	32.6
120.25431	1.9
121.06505	2.2
121.10123	14.9
123.08047	6.3
123.11685	3.9
125.09606	4.8
126.81789	1.7
131.08565	15.5
133.06445	1.7
133.10126	19.8
135.08008	3.6
135.11694	8.0
137.09576	4.5
143.08578	7.8
145.10095	18.1
147.08005	2.9
147.11662	18.4
149.09708	2.9
149.13243	5.1
151.11157	2.2
157.10091	6.6
159.11679	16.5
161.09569	3.1
161.13255	8.8
163.11134	2.3
163.14825	4.8
169.10013	2.2
171.11652	7.2
173.13242	12.2
175.14824	13.4
177.12764	4.2
177.16411	7.9
183.11641	3.2
185.13200	8.3
187.14787	18.2
188.15121	1.7
189.12712	2.2
189.16339	7.1
191.14290	7.8
197.13222	2.8
199.14795	7.3
201.16345	22.8
202.16776	1.5
203.14282	17.0
203.17926	6.2
205.15820	9.8
211.14873	3.6
213.16319	6.0
215.17888	4.6
217.15836	2.6
219.17438	3.5
221.15276	8.0
227.18111	2.0
233.15398	2.9
235.16998	2.5
239.16257	10.4
245.15442	1.8
247.16925	7.7
249.14716	2.7
255.21063	2.5
257.22598	2.9
258.25543	1.7
299.20325	2.0
309.83014	1.6
389.26578	3.0
405.31256	8.6
411.28885	2.1
421.31491	2.2
423.32504	15.3
433.30960	3.2
441.33252	6.5
451.32068	5.8
459.34659	100.0
460.34579	3.1
469.33057	10.2
487.34787	3.1
505.34924	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	505.3518
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03934	5.3
53.52043	2.6
55.05505	23.9
56.54753	2.4
57.03427	10.8
57.07069	6.5
59.04992	4.7
64.99609	2.3
65.03918	4.5
67.05496	100.0
69.07055	24.7
69.57485	5.1
69.57892	19.6
71.04990	5.9
79.05482	39.7
81.03389	3.5
81.07047	73.8
83.04948	7.1
83.08609	22.2
85.06545	4.6
87.04451	3.7
91.05465	48.6
93.07032	56.3
95.04974	8.4
95.08595	92.9
97.06519	8.2
97.10169	10.0
99.08115	4.3
101.05993	2.7
104.10706	3.7
105.07018	62.4
107.08577	65.9
109.06493	6.5
109.10146	100.0
111.08064	11.0
117.06995	12.4
119.08564	76.2
121.06519	5.2
121.10121	50.9
123.08097	4.7
123.11656	16.8
125.09547	4.1
129.05540	3.2
129.07001	6.2
131.08565	22.0
133.06482	3.7
133.10120	59.7
133.56029	2.8
135.08046	6.0
135.11674	33.2
137.09624	7.2
137.13261	6.6
139.11218	3.3
141.09125	3.5
142.02574	3.1
143.08562	9.4
145.10110	30.4
147.08035	5.5
147.11670	51.5
149.09604	6.2
149.13239	29.2
151.11200	3.9
153.09096	6.2
157.08865	3.3
157.10086	14.2
159.11713	21.0
161.09546	7.4
161.13232	31.3
163.14795	24.2
165.12834	3.6
167.06908	3.8
169.08652	4.7
171.11703	9.3
173.11726	17.8
173.13261	19.4
175.11214	4.0
175.14819	33.0
177.16371	19.1
179.10703	3.8
179.14363	3.9
183.10223	4.3
184.07385	4.9
185.13217	24.0
187.14807	33.8
189.11183	3.0
189.12787	3.3
189.16389	26.0
191.17963	16.7
193.12280	4.6
197.11743	8.7
199.14723	6.7
201.16389	7.0
203.14233	23.2
203.17940	55.0
205.15927	6.7
205.19533	6.6
207.13858	3.3
213.16403	3.7
215.17940	7.2
217.15816	3.3
217.19510	8.4
219.17360	3.4
221.15338	4.6
223.16904	6.3
225.14806	6.6
227.12827	5.6
229.14310	43.9
229.19498	4.0
231.21127	9.4
235.16867	3.9
237.14780	14.6
239.16360	4.1
241.19521	20.9
249.14864	7.8
249.18584	8.8
251.16426	5.6
255.15808	20.4
259.20566	46.3
265.17731	2.8
315.23184	4.5
333.24194	28.9
345.31723	2.8
363.25092	3.0
367.02170	2.7
405.31348	5.0
423.32471	8.7
429.33640	7.3
441.33594	58.8
459.34631	60.3
469.33063	7.8
487.34216	38.4
505.27573	8.8
505.34988	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.6
67.05496	17.7
67.19968	3.2
69.07066	19.1
70.14397	12.5
70.14816	6.5
79.05480	18.4
81.07049	34.4
83.08641	7.1
84.38000	3.5
85.06525	4.8
91.05472	24.2
93.07021	38.8
95.04974	8.1
95.08597	44.0
97.06547	8.6
97.10158	6.1
98.21142	8.4
99.08070	17.7
105.07018	67.9
105.67467	3.5
107.08585	56.6
109.06524	11.9
109.10149	22.5
111.08070	4.2
117.06982	7.2
119.08568	100.0
120.08863	4.5
121.06480	5.9
121.10120	38.3
123.08067	10.0
123.11735	6.0
125.09599	6.3
129.06978	7.9
131.08545	57.3
133.10110	62.0
135.08049	4.5
135.11676	17.4
137.09633	5.5
142.07883	3.5
143.08560	16.6
145.10100	55.7
147.08022	6.1
147.11671	94.8
149.09642	8.1
149.13274	14.8
155.08533	4.2
157.10147	16.7
159.11691	48.5
161.09592	9.7
161.13226	22.8
163.11180	6.2
163.14786	11.6
169.10181	5.1
170.10864	5.8
171.11626	20.5
173.13260	54.0
175.11111	4.7
175.14824	29.4
177.16344	6.7
178.16617	4.4
179.14394	4.6
183.11734	7.1
185.13257	16.9
187.14824	65.6
188.15213	3.9
189.12758	8.7
189.16411	16.7
191.14249	26.5
197.13258	10.8
199.14754	18.2
201.16365	85.7
203.14267	19.8
203.18059	6.6
204.14645	5.5
205.15979	19.0
213.16391	15.8
215.17931	9.6
217.15877	14.0
219.17412	20.5
221.15309	33.1
223.16829	7.2
229.15956	4.4
231.17342	4.0
235.16901	4.5
241.19485	5.8
247.17023	6.8
266.74899	4.2
269.22662	4.1
287.23697	4.0
291.19562	14.9
333.25812	3.9
365.23242	30.3
365.27557	5.4
387.30508	8.6
393.31335	12.6
402.59164	4.0
405.31613	29.4
411.32544	16.8
423.32523	47.2
439.32199	4.6
441.33682	24.3
451.32159	11.2
452.31747	4.1
459.34488	22.3
469.33566	18.6
487.34390	5.9
505.33783	11.7
514.21838	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	505.3521
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.94975	3.6
55.05503	8.3
64.69889	3.5
67.05484	13.1
69.03421	3.9
69.07056	15.0
70.74913	9.7
79.05481	14.7
81.07051	35.3
83.04961	4.9
83.08601	8.2
91.05470	32.5
93.07037	32.3
93.86066	3.6
95.04939	8.8
95.08596	39.4
97.06551	4.4
99.08080	16.0
105.07019	50.7
107.08595	43.5
109.06519	7.6
109.10159	18.9
117.07001	11.2
119.08567	100.0
121.06509	5.3
121.10146	27.0
123.08118	6.5
123.11665	7.5
129.06966	4.0
131.08565	57.7
133.10126	45.7
135.08028	8.5
135.11697	23.6
137.09651	5.8
142.07733	5.6
143.08572	13.5
145.10112	53.6
147.11682	71.0
149.09566	3.6
149.13194	9.1
157.10124	18.9
158.10699	5.6
159.11659	47.1
161.09616	8.3
161.13222	22.5
163.11197	8.8
163.14818	13.9
171.11647	13.0
173.13255	48.3
175.11124	6.5
175.14810	27.4
177.12720	4.3
177.16367	13.6
183.11679	10.1
185.13222	18.1
187.14816	70.2
189.12689	7.2
189.16335	19.9
191.14282	25.9
197.13307	5.1
199.01141	3.9
199.14742	19.2
201.16374	81.5
203.14308	16.8
203.17917	15.8
205.15849	26.1
213.16336	18.1
215.14325	5.5
215.17885	3.8
217.15782	6.3
219.17401	18.9
221.15384	38.4
229.15877	4.2
231.17365	6.8
235.16876	5.9
247.16978	5.3
387.30505	5.3
393.31647	12.1
395.05621	4.0
405.31461	26.4
411.32495	14.2
421.30679	5.8
423.32516	45.5
439.32098	8.8
441.33789	25.6
451.32318	8.5
469.33478	27.7
505.14462	5.3
512.47083	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	505.352
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.15654	1.8
55.05503	13.6
57.07053	2.7
59.04994	2.5
61.64899	2.6
67.05496	12.9
69.03412	3.2
69.07055	15.5
69.54799	18.1
79.05473	17.1
81.07048	39.0
83.04964	2.6
83.08604	7.4
85.02911	2.8
85.06549	3.7
91.05466	18.3
92.61514	2.5
93.07033	35.8
95.04951	7.6
95.08597	61.8
97.06520	8.1
97.10126	4.2
98.21508	3.9
99.08105	2.9
103.05442	2.7
103.67403	2.3
105.07021	61.6
107.04945	2.4
107.08579	62.4
109.06514	12.7
109.10146	26.4
111.08080	4.7
117.07030	8.2
117.56580	2.3
119.08570	97.7
121.06490	7.5
121.10125	42.4
123.08054	6.9
123.11700	8.6
125.09619	3.4
127.03936	2.6
128.06183	2.7
129.06978	6.2
131.08549	46.8
133.10120	58.3
135.08003	7.8
135.11693	14.9
137.09613	5.6
143.08542	16.9
144.09344	3.3
145.10114	64.7
147.08096	3.9
147.11670	37.5
149.09578	8.5
149.13252	13.3
151.11171	3.3
153.09119	2.4
156.09297	4.9
157.10095	24.2
158.10889	6.0
159.08023	3.0
159.11678	62.1
161.09596	8.5
161.13242	26.4
163.07494	2.6
163.11154	9.9
163.14809	19.4
165.09116	4.9
167.06924	2.5
167.10722	2.7
169.10104	3.0
170.10886	4.3
171.11644	14.8
173.13239	70.4
175.11220	5.1
175.14821	39.6
177.09058	2.7
177.12714	5.1
177.16380	14.5
183.11670	6.2
185.13240	20.0
186.13651	2.4
187.14809	81.7
189.12714	5.1
189.16338	18.0
191.14284	92.6
191.17931	5.6
193.15813	4.5
197.13266	3.6
199.14810	21.9
201.16357	100.0
202.16745	2.5
203.14314	24.4
203.17911	24.3
205.15862	33.2
207.17464	2.1
211.14859	4.7
213.16316	14.0
215.14275	2.5
215.17928	12.3
217.15851	8.8
217.19458	4.7
219.17400	17.3
221.13313	4.3
221.15334	46.1
223.16946	6.5
225.16400	2.9
227.17928	4.1
229.15852	8.1
229.19443	3.2
231.17410	7.0
233.15324	3.1
235.16899	4.7
239.16351	9.1
241.19403	6.4
247.16936	26.8
249.18672	2.2
253.19658	3.3
255.20950	2.0
269.22739	3.7
271.23999	2.6
340.43314	2.4
357.58081	2.1
387.30380	6.8
393.31555	11.2
405.26508	2.7
405.31451	30.8
411.32523	5.8
421.31030	4.2
423.32541	64.1
424.32828	3.1
433.30957	7.8
439.32068	4.0
441.33633	43.7
444.40225	2.2
451.32047	21.8
459.34525	3.4
469.33264	15.2
505.31473	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	505.3521
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05506	19.2
56.22787	3.2
56.24611	3.0
57.03429	4.7
57.07066	3.2
57.28127	2.7
57.30386	3.4
61.48074	3.2
67.05495	18.5
67.05784	2.8
69.03413	6.2
69.07057	21.6
70.06560	5.5
71.04988	3.8
71.63144	3.9
71.63527	3.8
72.08175	3.4
73.99664	3.2
79.05478	22.8
81.03410	4.4
81.07049	43.2
83.08607	14.5
85.02875	8.7
85.06545	3.3
87.67918	3.2
91.05451	29.7
93.07034	47.0
95.04941	9.1
95.08595	51.9
97.02870	3.7
97.06513	10.1
98.45442	3.1
99.04473	2.9
99.08061	8.7
101.14005	3.0
103.05421	3.5
105.03407	4.2
105.07022	67.5
107.04972	4.3
107.08582	63.7
109.06516	10.8
109.10136	32.5
111.08069	10.4
113.28483	2.8
117.06996	10.7
119.08572	100.0
121.06481	10.8
121.10114	44.5
123.04407	3.6
123.08057	13.7
123.11691	17.8
125.05990	3.9
125.09595	5.5
129.06976	7.5
131.08554	46.5
133.10103	65.8
135.08040	6.8
135.11691	27.9
137.05965	13.3
137.09662	7.8
139.07541	4.3
142.07788	5.0
143.08530	18.0
144.09233	3.5
145.06490	3.5
145.10104	50.5
147.08049	17.0
147.11665	62.9
149.09592	10.5
149.13210	17.2
149.79338	3.2
151.07501	3.9
151.11192	6.4
153.09082	9.8
153.96074	3.1
155.08478	5.2
156.09334	4.7
157.10123	29.5
159.08069	4.3
159.11652	45.8
161.09615	20.7
161.13246	18.4
163.11163	11.8
163.14827	22.2
165.09055	3.8
165.12828	3.8
167.10684	6.9
168.09332	4.3
169.10158	9.9
170.10869	5.2
171.11668	25.3
173.09613	4.1
173.13235	40.8
175.11151	16.8
175.14830	24.4
177.12820	5.4
177.16385	8.6
179.10722	3.7
179.14238	3.9
179.44576	3.2
183.11693	13.6
185.13231	28.3
187.11266	5.0
187.14809	46.7
189.12756	15.9
189.16350	27.5
191.14258	22.6
193.12230	5.3
193.15869	4.2
195.11786	5.4
197.13194	12.7
199.14813	20.9
201.12675	7.9
201.16327	45.5
201.42583	3.4
203.14272	18.5
203.17928	14.4
205.12120	4.3
205.15868	11.4
207.17439	5.8
209.13315	5.2
209.15352	7.8
211.13214	11.6
211.14992	6.5
211.16911	5.0
213.12663	4.0
213.16330	9.1
215.14189	5.9
215.17953	10.0
217.15904	7.7
219.13936	4.1
219.17372	9.9
221.15392	22.6
223.13091	5.5
225.16461	7.9
229.15727	6.3
231.13629	3.4
231.17358	4.3
235.16985	7.6
241.19398	4.6
243.17494	6.4
244.96956	3.3
247.20543	3.7
249.18483	5.8
255.21107	4.1
259.20572	4.0
263.14432	3.6
263.17685	3.7
269.22586	4.3
299.20023	4.9
307.26279	10.3
321.25818	4.0
375.30652	5.4
387.30411	5.1
393.31500	14.5
405.31757	20.6
411.32523	12.1
421.30954	15.7
423.32510	30.0
433.31107	10.6
439.32114	32.7
441.33813	15.8
451.32275	24.0
459.34872	4.8
469.33124	33.7
487.34000	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	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01854	1.9
55.05505	14.9
56.98362	0.9
57.03429	8.6
57.07066	1.5
58.59693	0.9
59.04975	3.6
65.03915	3.0
67.05495	100.0
69.03424	1.5
69.07055	11.1
71.03058	2.6
71.04991	6.4
79.05049	2.0
79.05482	27.7
81.03423	1.1
81.07047	37.2
83.04948	1.2
83.08605	10.9
85.06520	3.9
89.43423	1.2
91.05470	38.0
93.06467	2.1
93.07032	32.7
95.04976	6.3
95.05470	1.2
95.08029	1.9
95.08592	20.9
97.06492	2.2
97.10155	3.5
98.21136	1.2
99.08089	3.1
103.05463	1.2
105.07018	37.6
107.04939	1.7
107.08586	16.9
109.06491	3.3
109.10143	64.8
111.08054	4.0
117.06998	8.1
119.08563	33.6
121.06473	1.2
121.10121	12.8
123.07999	1.6
123.11661	2.1
125.09594	2.4
129.06960	6.6
130.07744	1.4
131.08545	14.3
133.10117	25.4
135.08029	2.3
135.11679	11.9
137.09567	4.1
143.08533	6.8
145.10104	13.3
147.11670	31.8
149.09579	2.1
149.13235	7.6
151.11168	1.2
155.10652	3.3
157.10109	6.8
158.76421	1.1
159.11685	11.9
161.13229	17.3
163.11134	2.1
163.14807	2.3
165.12685	1.4
169.10109	1.4
171.11638	8.6
173.11705	26.2
173.13252	8.9
175.14804	9.2
177.12631	1.1
185.13187	6.1
187.14796	2.0
189.11197	2.1
189.12714	2.2
199.14799	5.7
203.14323	1.3
215.17978	1.6
217.15739	1.3
227.12695	7.3
229.14323	59.4
231.20970	5.1
241.19456	23.7
243.21019	1.7
259.20544	59.5
261.22238	2.9
273.18372	2.7
275.20044	1.9
277.21469	1.9
291.19434	4.9
315.23056	4.6
330.12836	1.2
333.24203	33.0
351.25339	1.3
395.29370	1.8
413.30560	1.8
487.34360	14.0
505.35361	14.9
506.35394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05501	15.8
55.88457	1.1
57.03422	7.2
57.07048	2.9
59.04982	3.4
65.03917	2.3
67.05495	100.0
68.58285	1.3
69.07066	9.3
71.04977	5.0
71.35863	1.2
71.61945	1.2
71.62361	2.4
71.63030	1.4
72.08144	12.7
73.08473	1.7
76.96597	1.1
79.05479	25.2
81.03417	1.4
81.07048	31.9
83.04988	1.9
83.08616	8.8
85.06509	3.3
86.09712	2.0
91.05468	38.3
93.07030	30.4
93.07615	1.9
95.04951	3.2
95.08595	22.2
97.06512	2.9
97.10154	3.5
99.08096	2.0
99.82673	1.1
104.10769	2.0
105.07013	31.8
105.75234	1.1
107.04951	1.9
107.08583	19.5
109.06520	2.2
109.10141	72.3
111.04345	1.1
111.08052	4.1
113.09624	1.5
117.06992	9.3
119.08566	32.3
121.10134	14.2
123.08064	2.0
123.11668	2.0
125.09605	3.2
128.06206	2.4
129.06975	6.3
131.08548	12.1
133.10106	27.7
135.08035	2.1
135.11681	11.0
137.09583	3.7
143.08537	5.3
145.10107	13.7
145.88234	1.2
147.11664	23.4
149.09592	2.1
149.13255	7.9
155.08488	1.3
155.10629	5.0
157.10159	5.0
159.11668	11.8
161.13235	21.2
163.11177	1.3
163.14801	3.2
171.11708	8.3
173.11708	25.5
173.13246	7.2
175.14777	9.1
177.16425	1.7
179.14273	1.3
184.07286	2.9
185.13264	7.1
187.14813	4.0
189.11151	1.9
199.14819	4.8
201.16360	1.8
213.16473	1.7
227.12811	8.1
229.14322	66.2
231.21106	4.9
241.19467	24.9
242.19815	1.2
243.21019	1.7
259.20547	57.5
261.22153	2.7
277.21396	2.0
315.23041	4.7
333.24164	36.0
334.24789	1.4
351.24942	1.4
413.30545	1.7
487.34091	15.6
505.29306	1.2
505.35257	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	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79947	3.2
53.03913	3.9
55.01861	5.4
55.05508	15.3
57.03427	5.7
57.07057	4.5
67.05502	23.8
68.88019	2.2
69.03429	12.9
69.07063	22.5
69.51727	2.8
69.52051	25.5
71.04958	3.6
73.02882	3.8
73.91083	2.5
77.22509	2.6
79.05473	24.4
81.03412	4.7
81.07048	52.7
82.07366	3.2
83.04959	12.5
83.08590	8.5
85.02917	14.7
85.06557	5.5
91.05465	48.0
93.07040	44.9
95.04960	15.5
95.08041	3.8
95.08604	53.1
97.02870	9.9
97.06511	7.7
98.20753	5.5
98.57600	2.7
99.08081	14.9
105.07019	75.1
107.04940	10.6
107.08587	72.1
109.06541	13.1
109.10154	29.1
111.04459	3.9
111.08044	10.0
115.05455	3.0
117.07001	12.4
119.08568	100.0
121.06476	12.7
121.10130	44.8
123.04465	3.9
123.08055	13.8
123.11699	12.2
125.09621	8.8
127.03899	5.5
128.06154	5.2
129.06960	4.3
130.07697	4.2
131.04929	4.5
131.08548	50.6
133.02863	6.9
133.06380	4.0
133.10112	56.8
135.04448	4.4
135.08044	11.7
135.11674	26.4
137.05983	18.7
137.09604	9.2
137.13211	4.3
139.03874	7.6
139.11150	3.8
141.06978	5.8
141.09134	3.2
142.07722	3.8
143.08540	19.2
145.09029	3.8
145.10120	53.4
147.04404	5.5
147.08018	10.4
147.11674	54.5
149.02303	5.3
149.09579	8.7
149.13266	21.9
151.11145	4.0
155.08557	3.1
156.09332	4.5
157.10103	25.6
159.11690	50.5
161.05954	3.5
161.09589	15.9
161.13260	22.4
163.03905	75.8
163.07668	3.9
163.11148	8.8
163.14816	19.2
165.09081	5.5
165.12775	4.2
167.06967	3.5
167.10698	3.7
169.10133	6.8
170.10818	2.8
171.11670	23.1
173.09572	3.8
173.13243	40.7
175.11192	8.4
175.14804	33.6
177.09167	3.5
177.12775	6.4
177.16345	11.7
179.14345	4.3
181.04907	4.9
183.11690	8.6
185.13252	22.3
187.11186	4.2
187.14790	40.5
189.12700	5.6
189.16393	21.8
191.14320	27.0
191.17973	3.3
193.12209	7.3
193.15839	6.0
195.13942	2.6
197.13228	8.2
199.11276	2.4
199.14819	23.3
201.12614	2.8
201.16360	44.7
203.14302	16.7
203.17885	11.3
205.15852	26.6
207.13753	2.6
207.17398	3.4
208.12607	2.8
209.13310	2.9
210.10663	3.4
211.13162	3.5
211.14946	3.9
213.16309	13.6
214.18013	5.1
215.14275	8.2
215.18086	6.1
217.11940	2.9
217.15828	9.3
219.13853	5.3
219.17448	13.8
221.15306	17.1
223.13098	5.1
223.16849	3.5
225.16408	4.3
229.15823	6.1
231.17442	6.6
235.14822	3.4
243.21307	3.3
245.15602	4.8
247.16934	3.8
249.18501	4.4
265.17908	8.8
269.22559	3.5
283.06009	3.3
311.23462	3.2
315.23065	3.4
333.24210	3.2
365.28320	10.9
376.88284	3.2
379.11682	3.7
393.31326	10.7
405.31677	24.3
411.28787	9.0
411.33203	5.5
421.30991	9.4
423.32684	37.6
424.32050	3.9
433.31244	4.8
439.32242	16.6
441.33762	23.0
443.31143	4.0
451.32355	23.3
457.32986	5.2
459.34628	6.3
469.33463	35.3
487.29395	12.8
505.14691	11.9
505.32025	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	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03941	3.9
55.01871	1.4
55.05254	0.8
55.05506	11.1
57.03421	1.5
57.07069	34.7
65.03938	1.5
65.87045	0.6
67.05495	22.9
69.03419	1.6
69.07058	9.5
71.04984	1.4
71.08626	23.1
71.61893	0.8
72.07608	0.5
79.05486	13.2
81.03410	73.8
81.07048	25.9
83.04974	2.9
83.08612	23.8
85.06538	0.9
85.10170	12.7
91.05470	14.4
93.07030	8.9
95.04958	19.6
95.08598	26.5
97.02890	1.7
97.06545	1.1
97.10155	5.9
99.11739	0.9
105.07024	11.4
107.04951	5.3
107.08596	4.2
109.06513	2.4
109.10145	11.9
111.04436	1.0
111.08091	4.6
111.11723	1.1
115.05488	1.2
115.67472	0.6
117.07005	1.2
119.08580	9.7
121.06492	2.5
121.10100	3.7
123.04395	1.7
123.08104	0.9
123.11694	5.0
128.06215	1.0
129.06996	7.9
131.08557	7.2
133.06491	2.3
133.10139	4.1
135.11694	0.9
137.09593	1.1
137.13240	1.3
142.07764	1.7
145.10144	1.1
147.08040	1.8
147.11658	4.6
149.09615	4.4
149.13268	1.0
157.10100	6.7
165.12791	1.1
165.16364	0.6
175.11179	7.8
179.14409	0.9
193.12228	41.9
229.14340	0.7
231.13837	1.0
239.23689	8.3
249.14830	6.0
266.15073	0.6
275.20160	0.9
275.75409	0.6
382.70200	0.6
390.19394	0.6
407.31537	1.2
431.35071	0.9
505.38858	100.0
506.39337	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01867	2.3
55.05508	10.7
57.03436	1.7
57.07071	43.6
60.53009	1.1
67.05501	29.0
69.03421	1.9
69.07075	10.2
71.04989	1.8
71.08628	27.6
71.63525	1.3
71.64011	1.2
79.05488	12.7
81.03415	79.7
81.07054	30.8
81.07514	2.3
83.04971	3.6
83.08611	22.6
85.06539	1.6
85.10175	13.6
91.05475	19.7
93.07050	8.7
95.04966	20.9
95.08607	25.7
97.02898	2.1
97.06542	1.8
97.10189	7.5
99.08089	1.4
105.07034	13.0
107.04980	6.4
107.08588	3.5
109.06535	2.4
109.10155	14.7
111.04446	1.3
111.08071	6.6
111.11672	1.4
115.05424	1.7
116.83515	0.9
117.07057	1.5
119.04947	1.1
119.08572	8.8
121.06490	1.8
121.10143	4.6
123.04459	1.4
123.08043	1.2
123.11697	5.6
125.09761	1.1
129.07010	9.1
131.08557	7.4
133.06506	3.1
133.10127	4.8
135.17809	1.1
137.13240	1.7
142.07796	2.8
145.10124	2.8
147.08081	4.3
147.11687	8.0
149.09610	4.3
157.10132	8.4
175.11273	7.9
179.14388	1.8
190.60069	1.2
193.12242	44.9
231.13786	1.3
239.23744	7.5
249.14861	6.2
262.91125	1.2
268.37433	1.1
275.20175	3.3
277.21799	1.6
288.73849	1.1
496.23422	1.1
505.38959	100.0
506.39175	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	506.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01865	3.5
57.03436	5.1
60.04514	0.8
61.02917	8.9
67.05483	1.1
69.03421	17.1
69.07059	0.9
70.06585	1.4
71.01350	0.6
71.04984	3.6
71.61600	1.0
72.08145	0.7
73.02929	3.4
77.08716	0.5
79.05479	1.2
81.03413	7.2
81.07050	1.9
83.01328	0.9
83.04992	1.0
85.02892	100.0
86.09673	0.8
87.04458	2.1
91.03940	6.5
91.05466	0.9
93.07043	2.3
95.04972	0.7
95.08589	1.6
97.02877	29.6
98.06074	0.9
99.04446	4.7
99.08076	0.9
103.03896	0.9
105.07014	10.4
106.07378	0.7
107.08590	1.5
109.02864	9.1
109.06505	0.7
115.03894	1.7
119.08564	1.1
121.10149	1.2
123.08083	1.0
123.11728	0.6
124.05193	12.2
127.03900	31.2
131.08563	1.8
133.06477	7.8
133.10097	1.1
136.47652	0.6
137.05957	16.3
144.06569	2.7
145.04938	50.5
145.10118	1.7
147.11604	0.6
149.09589	1.0
151.07581	0.8
159.11690	0.7
162.07584	0.9
163.05997	16.9
163.07358	1.4
164.81824	0.6
165.09091	52.3
173.13245	1.0
181.08685	0.7
187.14931	0.7
188.15010	0.7
189.09003	0.8
201.16342	0.6
204.08655	1.1
223.13210	1.5
263.06842	0.6
267.07483	0.6
271.08148	0.8
276.09589	0.6
289.09134	0.8
291.12445	0.7
298.31302	0.7
325.11127	1.2
359.16644	0.8
503.99509	0.7
506.20502	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	506.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
64.28786	1.9
67.05485	6.2
69.07056	5.2
71.63600	1.9
77.54597	2.0
79.05484	6.7
81.07059	12.8
83.08637	3.0
87.87627	2.0
91.05483	4.5
93.07032	11.9
94.26427	1.7
95.08595	30.8
97.06515	2.3
101.29672	1.9
105.07018	22.5
107.08590	28.6
109.06400	1.9
109.10152	16.3
117.06982	2.9
119.08567	27.8
121.06484	2.6
121.10127	17.1
123.11693	3.3
131.08571	13.8
133.10109	25.9
135.08046	2.4
135.11685	10.9
143.08542	3.8
145.10110	16.8
147.11679	17.9
149.13231	7.3
157.10068	4.9
159.11638	15.2
160.30626	1.8
161.09663	3.0
161.13228	19.2
163.11139	3.5
163.14809	14.2
167.10585	3.0
171.11656	5.0
173.13260	35.4
175.11093	3.7
175.14841	14.5
177.16380	14.6
183.11725	2.4
184.07335	6.5
185.13277	12.8
187.14807	34.1
189.16345	11.8
191.14293	100.0
191.17908	4.1
193.12215	4.6
199.14763	4.6
201.16368	7.9
202.41479	2.2
203.14293	18.1
203.17931	68.2
205.15897	20.4
205.19518	14.6
211.14835	2.7
213.16423	5.5
217.15749	2.1
221.15353	69.0
223.16939	4.9
229.19525	2.9
231.13860	2.2
231.17445	2.7
231.21056	4.1
235.16884	2.5
247.16933	2.8
249.18480	44.6
307.56720	2.2
311.23618	3.9
329.24860	2.8
389.31946	8.5
395.33047	4.1
407.33130	11.0
425.34128	70.0
435.32605	14.1
441.33929	2.3
453.33609	65.9
460.35379	2.9
471.34818	29.7
489.35544	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.6
57.07058	1.4
67.05505	7.9
69.07061	6.7
79.05477	6.3
81.07053	19.9
83.08608	5.2
90.75017	1.4
91.05478	7.0
92.51182	1.3
93.07035	14.9
95.04973	3.7
95.08591	26.1
97.06522	2.0
97.10173	2.0
105.07017	23.6
107.07859	2.0
107.08583	29.4
109.06519	1.9
109.10138	16.8
115.05422	1.8
117.07049	2.1
119.08572	26.1
121.06486	3.4
121.10117	17.6
123.11694	4.0
129.07089	1.5
131.08575	12.9
133.10124	25.9
135.08049	2.1
135.11696	7.5
143.08537	3.9
145.10135	16.5
147.07999	1.8
147.11662	22.8
149.09608	2.0
149.13234	12.0
153.09038	3.7
157.10115	4.1
159.11679	10.8
161.09581	4.0
161.13237	17.8
163.11157	4.6
163.14804	20.0
167.10689	3.3
169.10049	2.2
171.11678	5.0
173.13235	22.0
175.11176	3.9
175.14830	21.5
177.12729	2.9
177.16368	14.5
185.13251	6.0
187.14815	23.3
188.84348	1.4
189.12743	2.3
189.16362	15.6
191.14288	39.1
191.17905	3.8
193.12282	1.9
193.15904	2.2
199.14803	5.0
201.16351	6.7
203.14352	9.1
203.17941	88.3
205.15849	13.1
205.19426	3.8
211.14909	1.7
213.16339	4.3
215.18051	2.3
217.15903	2.4
217.19585	1.7
221.15349	24.2
221.18909	2.7
223.14853	1.3
223.16924	6.4
229.15817	1.6
229.19626	2.5
231.17525	2.8
231.21037	3.8
235.16878	1.7
249.18507	24.9
358.89035	1.5
377.31851	1.8
389.31900	5.0
395.33020	5.7
407.32944	12.3
423.32492	2.5
425.34119	100.0
426.34619	2.0
435.32526	11.0
441.33350	2.5
453.33640	32.3
460.35233	3.7
471.34888	26.2
489.35443	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1128
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03733	0.2
53.03939	2.5
55.01858	0.5
57.03434	0.9
59.06321	0.2
61.02925	0.9
67.05498	0.3
68.99789	0.4
69.03422	9.1
69.03806	0.4
71.04980	0.8
73.02908	1.3
75.82113	0.2
81.03408	12.5
85.02895	5.2
87.04476	0.3
91.05435	0.2
95.04981	0.4
97.02878	4.5
99.04433	2.0
106.12876	0.2
109.02869	8.3
110.34337	0.2
110.35111	0.2
111.00792	0.8
111.04379	0.2
114.92834	0.2
121.02867	0.7
123.04396	0.2
127.03899	7.4
129.44156	0.2
131.04874	0.2
131.47609	0.2
133.06464	0.2
137.01358	0.3
137.02336	2.5
137.05945	1.1
145.04955	1.2
145.06500	0.2
147.04420	0.3
149.02336	0.3
151.07515	0.6
153.01807	2.9
154.93413	0.2
157.06485	0.2
159.07959	0.2
161.05968	0.5
163.03915	0.5
163.07504	0.5
165.01814	1.5
173.05942	0.4
177.05437	0.3
177.38693	0.2
183.02905	0.9
183.04274	0.2
187.05994	7.7
187.07672	0.4
191.07068	0.3
201.05466	1.5
203.07079	0.2
205.06976	0.4
217.08611	0.2
219.10121	0.2
220.55704	0.2
229.02840	0.4
229.04958	4.0
247.05908	0.7
257.04382	2.7
274.04764	0.7
285.03876	0.8
303.04950	100.0
304.05270	0.6
307.12064	0.2
345.06369	0.2
411.06793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01857	1.8
55.05501	1.2
57.03418	2.6
60.40056	0.6
61.02911	1.6
65.03922	1.1
66.71840	0.6
67.05511	2.9
68.99786	0.7
69.03072	1.1
69.03421	15.4
69.07041	0.7
70.06564	1.2
70.91228	1.9
71.01340	1.0
71.04985	6.5
73.02899	2.5
74.06088	0.6
75.04473	0.8
79.05470	2.3
79.71096	0.6
81.03407	13.7
81.07033	1.3
83.04955	3.7
85.02895	18.6
86.09671	1.1
87.04446	1.9
91.05457	4.4
93.03401	0.6
93.07013	1.6
95.04968	5.6
95.08587	1.5
97.02878	6.1
97.06520	0.8
99.04404	3.6
103.05453	3.9
105.07013	3.0
107.04939	2.4
107.08603	0.8
109.02868	9.6
109.06447	0.6
109.10150	0.8
111.00819	0.9
111.04420	4.4
113.05983	1.7
115.05443	3.4
117.06986	2.0
119.04921	3.6
119.08536	1.4
121.02849	1.7
121.06576	1.0
121.10120	0.8
122.03633	1.3
123.04375	0.7
125.05964	0.7
127.03895	7.4
128.06207	1.8
129.05479	3.3
129.06978	3.6
131.04909	13.0
131.08537	1.2
133.02779	1.0
133.06487	3.6
135.04411	1.2
135.08040	1.4
135.11626	0.8
137.02315	4.1
137.05959	27.0
141.06972	2.2
143.04903	2.1
143.08533	2.2
144.05684	0.9
145.04915	1.6
145.06483	4.4
147.04391	7.7
147.06520	0.6
149.05983	4.1
151.07523	22.5
153.01794	3.8
153.06970	0.6
155.08499	0.9
157.06473	3.3
159.04381	2.3
159.08032	1.3
160.05144	2.0
161.05974	4.2
161.09656	1.0
161.89157	0.6
162.06705	0.8
163.03885	0.9
163.07516	17.6
165.01860	2.0
165.05450	1.4
165.09102	2.5
167.07056	3.1
169.06448	1.7
171.04416	0.7
171.06633	0.6
171.08003	1.5
173.05992	1.9
174.06766	1.9
175.07529	10.6
177.05455	9.0
177.09058	3.4
179.07025	7.4
182.07121	0.7
183.02896	1.7
183.04404	0.9
183.08075	2.6
185.05908	1.7
187.05994	6.8
187.07541	3.3
188.08284	0.8
189.09056	6.2
191.07025	10.2
191.10704	1.4
193.08595	2.4
195.06447	1.1
197.05925	1.3
199.07524	4.2
201.05438	1.5
201.09071	4.3
203.06964	3.5
203.10680	0.9
205.08630	4.1
207.06346	0.8
207.10153	2.3
211.07576	1.6
213.09076	1.1
215.07028	2.1
215.10629	1.8
217.08563	7.8
219.10147	2.7
221.07991	2.8
229.04979	4.5
229.08560	5.7
231.10155	2.0
233.08012	3.4
233.11629	1.1
235.09761	0.8
241.08607	0.7
243.10170	1.7
245.08286	0.9
247.05948	0.9
247.09723	1.3
249.11162	2.5
257.04449	3.0
259.09589	3.0
263.09009	1.2
271.09622	1.4
274.04709	0.8
275.12732	2.2
277.10727	1.7
285.03992	1.4
289.10715	2.4
293.13818	0.9
295.11731	1.4
303.04959	100.0
304.05289	6.0
307.11707	8.7
327.04663	0.8
331.15353	0.7
335.12689	0.9
344.07751	0.8
345.06165	0.8
387.94482	0.7
414.02808	0.6
494.93997	0.7
515.62329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.4
57.03422	9.7
59.40806	2.1
67.05495	4.5
69.03423	24.3
71.04989	17.0
71.64036	4.1
75.04466	4.0
78.62431	2.3
79.05492	6.2
79.65499	2.1
82.18145	2.0
83.04529	2.3
83.04984	12.8
85.02894	45.5
86.09731	2.3
87.04437	4.1
87.60155	2.3
91.05466	15.1
94.04156	2.7
95.04961	14.0
97.06528	5.9
99.04437	5.7
103.05468	21.4
105.07041	11.7
107.04973	6.3
111.04426	17.5
113.05991	4.3
115.05438	10.1
117.07001	6.8
119.04952	10.0
121.06541	3.8
122.03656	4.7
128.06256	3.8
129.05457	7.8
129.06992	7.3
131.04926	42.4
131.08453	2.7
133.02818	4.0
133.06490	14.5
135.04416	4.1
137.02345	19.5
137.05963	100.0
141.07004	8.6
143.04889	7.8
144.05724	3.2
145.06477	16.4
147.04410	34.0
147.06577	2.6
147.07947	2.8
149.05939	13.7
151.07530	79.2
153.01802	5.0
153.05458	4.6
155.08479	4.6
157.06479	9.2
159.04443	4.2
159.08009	6.2
160.05205	10.4
161.05966	15.4
161.09567	3.1
163.07529	67.6
165.09093	10.3
167.07045	8.5
168.05563	2.7
169.06459	9.1
171.08057	5.8
173.05898	3.3
174.06757	5.8
175.07530	34.7
177.05464	26.6
177.09071	13.4
179.07011	25.9
183.08090	6.0
183.10141	3.0
185.05946	5.5
187.07552	15.2
189.09062	18.2
191.07002	38.2
193.08589	7.6
195.06512	2.6
195.10152	3.6
197.05972	6.8
199.07529	11.5
201.09091	18.5
203.07043	11.7
203.10742	4.6
205.08572	11.4
207.06572	3.4
207.10164	9.2
211.07501	5.6
215.07097	6.8
215.10599	7.0
217.08607	21.4
219.10095	11.8
221.08009	12.5
229.08507	17.8
231.10191	6.0
233.08134	8.8
233.11720	2.6
235.09595	5.8
241.08488	3.7
243.10210	6.9
245.08113	2.8
247.09660	4.8
249.11176	7.1
257.11835	3.5
259.09607	10.2
261.11093	3.4
263.09247	2.9
271.09628	5.2
273.03757	3.4
275.12775	8.9
277.10733	4.0
289.10626	6.6
293.13910	2.9
295.11734	6.8
299.38492	2.7
300.03549	2.3
303.04886	9.8
307.11740	28.9
311.05728	2.6
311.12720	4.1
319.04407	3.4
320.04733	5.6
327.04990	8.4
331.15460	5.7
344.07639	23.3
345.06003	4.5
361.07333	2.8
361.48413	2.3
362.08624	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49660	0.9
53.03943	1.4
55.05500	8.6
57.03431	7.7
57.07047	1.2
65.03932	1.1
67.05494	28.9
69.07059	8.0
70.75492	2.2
70.75840	1.6
71.04958	0.9
79.05480	14.6
81.07043	27.7
83.04949	1.1
83.08598	3.3
84.12193	0.8
91.05473	8.7
93.07030	18.3
95.04965	2.6
95.08038	1.6
95.08597	20.4
97.06540	1.1
97.10155	1.8
98.21246	0.9
98.97852	1.3
98.98456	22.3
98.99102	1.1
102.22397	1.0
105.07032	7.1
106.10683	0.8
107.08588	8.8
109.06480	1.0
109.10136	8.3
117.06989	1.2
119.08541	4.5
121.10136	6.7
121.57534	0.9
121.76878	0.9
123.11709	2.7
131.08519	2.1
133.10086	4.4
135.07983	1.0
135.11656	4.4
137.13223	1.3
138.76936	0.8
145.10086	3.9
147.11674	2.4
147.90273	1.0
149.13235	1.7
155.01006	3.9
159.11685	3.0
161.13200	1.9
170.82205	0.9
173.02121	5.0
173.13232	2.1
229.04723	0.9
243.21048	1.7
247.05814	1.8
261.22095	3.7
317.24768	1.7
335.25754	100.0
336.26141	1.9
356.86813	0.9
427.28027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.0
57.07062	15.2
67.05499	43.7
69.03410	7.4
69.07058	46.6
71.63771	4.9
71.64167	3.3
75.38669	3.5
79.05488	31.7
81.03412	9.3
81.07045	99.6
83.08617	29.4
85.02909	9.8
91.05460	20.2
93.07033	48.5
95.04956	15.5
95.08597	100.0
97.06518	8.0
97.10166	22.0
105.07018	41.2
107.08588	46.8
109.06483	7.6
109.10143	59.4
111.08112	5.8
111.11723	9.3
114.30850	3.7
117.07024	4.8
119.08569	28.8
121.06461	3.9
121.10126	43.6
123.04369	4.2
123.08076	7.4
123.11672	29.2
125.09675	4.3
125.13332	4.2
129.06969	4.7
131.08524	9.3
133.10133	21.3
135.11685	42.3
137.09578	6.4
137.13229	22.0
139.03952	3.9
139.11171	3.6
143.08589	3.5
145.10103	9.2
147.08109	4.2
147.11681	27.1
149.09683	4.5
149.13234	32.1
151.14818	7.9
157.10146	5.5
159.11708	9.5
161.13277	9.4
163.04034	3.3
163.11153	4.2
163.14815	20.6
165.12727	7.2
173.13322	4.8
175.14818	6.0
175.25354	3.6
177.16400	13.7
183.13690	3.5
185.13232	3.9
187.14842	7.6
189.16365	4.0
191.17960	4.7
193.12154	3.7
203.18002	12.0
217.19531	7.8
223.13274	5.4
235.62518	3.0
249.18549	4.6
273.25693	19.5
275.20053	7.1
291.26727	14.1
346.19904	11.6
349.23752	6.4
367.24826	26.4
507.29208	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	507.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	24.2
57.07067	14.7
58.92960	3.4
65.03952	4.4
67.05495	42.1
69.03418	9.9
69.07065	49.9
71.04983	5.5
71.08629	9.9
71.63171	4.0
71.63628	4.8
75.67542	3.6
77.79660	3.9
79.05498	26.7
81.03419	4.7
81.07047	100.0
83.04946	9.0
83.08606	24.9
85.02872	20.2
85.06525	7.9
91.05470	27.6
93.07035	47.0
95.04962	14.9
95.08598	95.2
97.02911	5.0
97.06522	12.5
97.10161	14.5
99.29731	4.0
99.91089	4.2
105.07020	36.6
107.04979	5.5
107.08585	52.4
109.06504	5.9
109.10143	63.4
111.08092	5.2
111.11729	8.8
117.07015	5.9
119.08582	28.6
121.06496	6.4
121.10125	43.8
122.78864	4.1
123.04395	9.1
123.08082	6.1
123.11677	38.6
125.09617	8.6
127.03883	5.0
128.06145	4.5
131.04826	4.1
131.08536	10.2
133.10104	18.5
135.08055	9.9
135.11694	32.1
136.81879	3.9
137.05956	9.8
137.09613	8.0
137.13232	18.9
139.03879	6.1
139.11163	9.4
142.74396	4.1
142.75563	4.2
143.08569	7.6
144.70627	3.8
145.10106	9.4
147.04449	6.6
147.08032	5.2
147.11653	23.8
149.09605	8.0
149.13261	23.7
151.03876	6.8
151.11172	6.5
151.14836	9.4
153.12683	4.4
157.10153	6.1
159.11758	5.5
161.05919	5.4
161.09633	4.9
161.13278	7.3
163.03905	4.0
163.14830	20.7
163.51810	4.5
165.09024	7.6
165.12735	10.2
173.09599	5.7
173.13255	8.4
175.14807	5.3
177.05478	5.3
177.16431	11.2
181.12381	4.9
182.15353	4.5
183.11577	4.3
183.13873	8.4
185.13303	6.1
187.14851	6.9
189.16422	8.7
191.17949	7.1
193.12233	5.1
203.17964	8.8
217.19543	9.6
237.02710	4.9
273.25751	29.1
291.26804	23.1
309.27948	9.4
327.22800	4.5
379.05295	4.5
489.15005	6.6
489.31738	8.6
507.16330	8.9
507.29419	23.8
507.39349	5.1
508.20874	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.7
56.36608	2.8
57.03411	2.4
57.07052	9.7
67.05497	35.6
69.03399	3.8
69.07056	44.5
70.06583	3.9
71.04987	4.8
71.08611	6.6
71.61213	3.4
79.05485	23.6
81.03400	6.7
81.07047	90.2
83.04984	5.0
83.08615	21.3
85.02898	11.6
85.06534	4.1
85.10172	2.7
90.18755	2.5
91.05457	17.5
93.07031	44.7
95.04961	10.7
95.08596	100.0
97.06536	4.7
97.10137	16.8
99.04442	2.3
99.08071	4.0
100.65858	2.4
105.07026	26.6
107.04929	3.1
107.08582	47.9
109.02847	2.8
109.06483	5.4
109.10146	54.3
111.04401	5.3
111.08064	4.4
111.11679	7.2
117.07007	3.2
119.08566	20.5
121.10132	35.4
123.04414	3.4
123.08037	2.9
123.11689	32.0
125.09586	6.1
125.13237	6.1
127.68193	2.4
131.08537	5.7
133.10127	14.0
135.11668	37.7
137.09534	4.8
137.13246	19.1
139.11148	8.6
143.08586	4.0
145.10069	6.7
147.11682	19.0
149.09595	2.9
149.13234	27.1
151.14793	8.7
153.12743	4.2
159.11693	6.4
161.13219	11.8
163.11136	4.1
163.14816	17.4
165.12749	4.0
165.16380	3.9
173.13263	4.3
175.14760	6.4
177.16347	11.2
179.17929	2.6
181.41467	2.3
182.15425	4.6
183.13760	4.7
187.14795	4.0
189.16458	4.1
191.17899	9.0
201.16461	2.6
203.14229	2.5
203.17938	8.7
210.14967	5.8
217.08624	2.6
217.19484	6.8
242.55139	2.4
245.15355	2.5
247.24300	2.7
273.25742	19.1
275.20032	3.6
291.26761	15.7
309.27768	5.8
346.19757	9.8
349.23499	3.9
367.24768	9.9
507.20883	2.3
507.29004	19.1
507.38986	2.9
508.25470	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	507.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.0
57.07062	15.2
67.05499	43.7
69.03410	7.4
69.07058	46.6
71.63771	4.9
71.64167	3.3
75.38669	3.5
79.05488	31.7
81.03412	9.3
81.07045	99.6
83.08617	29.4
85.02909	9.8
91.05460	20.2
93.07033	48.5
95.04956	15.5
95.08597	100.0
97.06518	8.0
97.10166	22.0
105.07018	41.2
107.08588	46.8
109.06483	7.6
109.10143	59.4
111.08112	5.8
111.11723	9.3
114.30850	3.7
117.07024	4.8
119.08569	28.8
121.06461	3.9
121.10126	43.6
123.04369	4.2
123.08076	7.4
123.11672	29.2
125.09675	4.3
125.13332	4.2
129.06969	4.7
131.08524	9.3
133.10133	21.3
135.11685	42.3
137.09578	6.4
137.13229	22.0
139.03952	3.9
139.11171	3.6
143.08589	3.5
145.10103	9.2
147.08109	4.2
147.11681	27.1
149.09683	4.5
149.13234	32.1
151.14818	7.9
157.10146	5.5
159.11708	9.5
161.13277	9.4
163.04034	3.3
163.11153	4.2
163.14815	20.6
165.12727	7.2
173.13322	4.8
175.14818	6.0
175.25354	3.6
177.16400	13.7
183.13690	3.5
185.13232	3.9
187.14842	7.6
189.16365	4.0
191.17960	4.7
193.12154	3.7
203.18002	12.0
217.19531	7.8
223.13274	5.4
235.62518	3.0
249.18549	4.6
273.25693	19.5
275.20053	7.1
291.26727	14.1
346.19904	11.6
349.23752	6.4
367.24826	26.4
507.29208	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	507.368
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.17156	1.7
53.03934	2.0
55.01856	3.6
55.05502	25.1
57.03421	9.1
57.07057	4.5
57.55228	1.7
59.04974	3.2
65.03931	3.6
67.05498	100.0
69.07068	19.5
69.63979	1.6
71.04981	5.2
71.08590	1.9
71.63957	3.0
79.05482	27.8
81.03405	2.0
81.07049	67.3
83.04952	1.7
83.08621	14.2
85.06522	3.6
91.05480	24.3
93.07033	39.8
95.04933	5.3
95.08598	46.7
95.51965	1.8
97.06516	3.5
97.10164	16.1
100.17229	2.1
101.54244	1.7
101.83160	1.8
105.07013	16.3
107.08586	29.6
109.10146	73.6
110.63608	1.8
111.08062	3.8
117.07015	8.6
119.08559	21.8
121.10123	19.9
123.08044	2.2
123.11697	11.1
125.09586	10.2
129.06964	3.8
131.08559	15.8
133.10097	17.5
135.11697	13.7
137.09586	5.0
137.13232	5.0
139.11118	1.7
143.08536	2.7
145.10101	12.2
147.11665	9.2
149.13252	10.1
155.10637	2.3
157.10110	3.7
159.11664	14.6
161.13213	7.7
163.14828	2.9
171.10196	2.1
171.11685	5.4
173.11708	15.9
173.13261	9.1
175.14778	2.9
177.12756	3.7
177.16348	2.5
183.11700	2.9
185.13251	4.0
187.14845	4.9
189.11209	10.2
227.12793	12.9
229.14351	40.7
243.21051	5.6
259.20563	3.4
261.22083	23.0
285.22137	1.8
317.24823	4.5
317.96863	2.1
335.25717	25.9
379.29855	3.1
397.30847	9.4
415.32040	7.5
433.33008	8.8
434.64725	2.1
471.34595	5.3
489.35721	65.5
507.26974	4.2
507.36584	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	507.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01869	1.3
55.05254	2.3
55.05499	23.8
56.09700	1.3
57.03425	4.6
57.07071	34.0
59.05019	1.6
62.69232	1.3
64.27840	1.2
65.03928	2.2
67.05496	81.2
69.03414	1.5
69.07059	21.8
71.04971	3.7
71.08619	17.9
72.08958	1.3
73.73485	1.2
74.79787	1.1
79.05052	2.1
79.05484	32.0
79.41087	1.0
81.03419	6.9
81.07046	81.0
82.03770	1.5
83.04971	4.1
83.08607	24.4
85.06532	2.6
85.10173	11.3
91.05465	22.3
93.07030	39.9
95.04964	7.2
95.08589	49.4
97.06490	5.7
97.10159	14.7
98.20688	2.7
99.08091	2.5
105.07019	13.5
107.04944	1.4
107.08581	27.0
109.06541	2.5
109.10138	43.6
111.08057	3.9
111.11723	1.4
114.26791	1.4
117.07002	8.1
119.08565	11.2
121.10119	15.7
123.11680	11.9
125.09621	6.6
129.06955	1.9
131.08557	12.9
133.10110	12.6
135.11659	10.9
137.09624	1.5
137.13225	2.5
139.11174	1.5
143.08534	1.4
145.10092	6.3
147.11661	5.8
149.13229	16.0
155.10696	1.5
159.11667	8.7
161.13266	3.6
163.14897	1.6
165.12794	1.6
171.11720	2.5
173.11734	6.1
173.13083	2.2
175.14803	1.6
177.12755	4.1
187.14699	2.5
189.11214	3.5
193.12189	2.6
195.13786	5.0
195.31973	1.4
203.18047	1.3
213.14801	2.3
227.12766	5.1
229.14325	19.7
229.64302	1.7
239.23743	8.6
243.21057	1.8
259.20654	1.8
261.22092	13.9
263.23709	1.7
279.22891	1.3
317.24707	1.8
335.25732	14.5
379.29834	3.5
397.31015	3.5
409.65359	1.3
415.32016	5.2
433.33105	4.6
471.34622	3.6
489.35675	33.5
507.40781	100.0
522.79901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22120	0.9
53.03933	2.0
55.05254	1.5
55.05505	22.2
57.03423	4.8
57.07069	33.9
59.04983	2.4
65.03934	1.9
67.05500	87.9
68.12953	1.0
69.07061	21.7
69.78415	7.9
71.04977	2.6
71.08271	1.5
71.08628	21.4
79.05486	29.1
79.98429	0.9
81.03416	1.9
81.07050	78.8
83.04970	4.2
83.08613	23.8
85.06522	3.5
85.10171	11.1
91.05475	22.6
93.07040	39.3
95.04935	5.5
95.08601	52.5
97.06526	5.8
97.10162	13.1
99.08096	1.2
105.07014	11.9
107.08585	26.5
109.06467	2.1
109.10147	44.7
109.10907	2.3
111.08050	6.3
111.11735	1.2
117.06998	6.8
119.08572	9.8
121.10139	18.4
123.11697	9.6
125.09600	5.9
129.07031	1.1
131.08582	12.6
133.10114	16.1
135.08028	1.7
135.11671	11.3
137.09618	1.9
137.13260	2.8
139.11076	1.6
141.32164	1.0
143.08531	1.7
145.10138	7.0
147.11659	7.0
149.09590	1.3
149.13243	17.9
151.11183	1.2
151.14803	1.6
155.10609	2.2
157.10027	2.5
159.11696	11.9
161.13257	3.3
163.14833	2.3
165.12781	1.1
171.11655	2.2
173.11707	9.2
173.13243	5.4
177.12756	3.4
185.13187	2.4
187.14844	2.9
189.11237	4.2
195.13806	8.9
213.14841	2.9
227.12773	8.4
229.14337	27.3
239.23663	7.2
243.21097	2.3
261.22128	12.8
277.21771	1.2
299.23737	1.3
317.24741	1.5
335.25735	17.1
379.30087	1.9
397.30908	5.1
415.32141	5.1
433.33353	2.6
471.34360	3.9
489.35687	34.2
507.40903	100.0
529.65967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25755	0.7
52.19721	0.8
53.03934	2.9
55.01873	2.1
55.03155	0.8
55.05507	22.7
57.03429	4.7
57.07071	31.3
58.75145	0.8
59.04996	1.7
65.03922	2.3
67.05498	77.1
68.05837	1.0
69.03420	1.0
69.07061	21.5
69.55200	6.1
71.04985	3.8
71.08627	21.7
71.09032	1.2
76.55596	1.0
79.05486	28.5
81.03413	1.9
81.07049	81.7
81.12071	1.0
83.04974	3.5
83.08610	23.5
85.06532	3.3
85.10175	10.9
91.05061	0.7
91.05472	20.9
93.07037	42.2
95.04972	5.8
95.08599	46.7
97.06535	6.8
97.10159	11.4
98.21495	1.2
99.08074	2.5
104.42328	0.9
105.07019	12.3
107.08585	24.5
108.20405	0.8
109.06519	1.9
109.10145	40.2
111.08081	5.3
111.11718	2.0
115.05423	0.9
117.07001	6.5
119.08578	10.0
121.06481	1.3
121.10137	15.7
123.08059	1.4
123.11681	9.2
125.09619	5.2
125.13273	1.2
125.82767	0.8
126.04895	0.8
131.08563	10.1
133.10124	12.0
135.08058	1.2
135.11693	12.2
137.09622	1.5
137.13231	3.6
139.11096	1.7
143.08507	1.4
145.10097	5.2
147.11670	5.2
149.09637	1.1
149.13242	19.2
151.11131	1.4
151.14742	1.4
153.09074	1.0
155.10596	1.4
157.10121	1.1
159.11684	11.9
161.13243	2.8
161.68906	0.9
163.14777	1.2
169.10059	1.2
171.11632	1.4
173.11737	7.1
173.13248	3.3
175.14787	1.9
177.12733	3.7
185.13329	1.0
187.14810	1.4
189.11180	4.6
195.13808	10.5
197.13135	1.4
213.14754	2.0
227.12764	5.7
229.14325	20.6
239.23607	6.8
243.21101	1.5
259.20554	1.5
261.22101	12.3
279.23187	1.4
317.24728	1.9
335.25739	11.8
379.30182	1.9
397.30899	3.7
415.31949	3.6
433.33356	4.2
471.34445	2.5
489.35733	26.2
490.35895	1.5
507.40848	100.0
508.40521	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.27399	1.3
54.77895	1.4
55.05502	5.6
56.96551	1.5
57.03424	1.9
57.07072	21.2
67.05497	34.0
68.60141	1.5
69.07056	11.1
71.08631	14.6
78.93400	1.5
79.05483	15.3
81.07051	37.9
83.04944	2.9
83.08611	10.5
85.06528	3.5
85.10166	8.3
91.05466	9.1
93.07039	20.4
95.04951	3.7
95.08588	19.7
97.06520	3.7
97.10178	4.4
105.07018	1.9
107.08577	11.6
108.08898	1.9
109.10140	10.4
111.08102	1.7
116.94880	1.4
117.06967	2.3
119.08556	1.7
121.10116	7.6
123.11664	2.5
133.10143	3.7
135.11702	5.4
149.13245	15.3
159.11676	8.3
160.93933	1.5
161.01782	1.5
177.12758	3.0
195.13837	7.3
202.22861	1.5
239.23640	7.8
247.28473	1.7
310.48734	1.5
347.07907	1.6
489.36017	3.1
507.40463	100.0
508.40540	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01850	1.9
55.05503	1.4
57.03421	1.0
60.04517	2.1
61.02911	3.0
68.99789	1.9
69.03421	6.6
70.06579	1.9
71.04993	1.6
71.61563	1.6
73.02897	1.1
73.03841	1.0
74.02424	1.2
79.05467	2.1
80.49202	1.0
81.03399	4.1
81.07050	1.8
85.02900	13.2
91.05463	2.6
93.07017	1.6
94.99590	1.0
97.02869	5.8
97.06519	1.3
98.21413	1.0
99.04455	1.9
100.11243	2.6
103.05437	1.5
107.08627	1.3
109.02873	2.0
111.00806	1.2
111.57852	1.1
118.06554	2.1
119.04957	1.5
120.08026	1.4
121.02920	1.4
121.06473	3.4
123.04428	1.8
127.03922	3.9
131.04907	4.3
131.93156	1.1
135.04419	3.7
135.11658	2.0
137.02325	24.6
137.03387	1.4
137.05952	2.6
141.41158	1.3
146.05998	3.7
147.04385	2.7
149.05969	6.5
152.07034	1.4
153.01830	14.3
163.03876	15.7
164.04668	1.3
164.07043	16.9
165.01912	1.4
165.07750	1.5
166.08595	9.5
169.42406	1.1
181.06491	2.3
191.03453	1.9
192.06535	24.1
193.04918	1.6
194.08170	4.9
203.03369	2.2
206.10199	1.5
209.05994	1.2
210.03938	1.7
213.05396	2.0
221.04494	3.7
227.06976	1.7
229.04993	1.5
237.05524	8.7
241.04945	1.4
244.05910	1.3
246.14890	5.6
246.64970	6.3
255.03207	1.2
255.06554	4.4
265.04947	6.1
266.05765	1.8
272.06802	3.9
273.07565	18.5
283.05978	38.2
287.05429	2.8
293.04358	3.0
300.08374	1.4
301.03464	2.1
301.06863	2.2
303.04941	22.6
304.05200	3.5
311.05453	83.9
312.06094	3.2
328.05090	2.3
328.08249	16.9
329.02911	7.4
329.06470	100.0
330.06772	1.5
336.25235	1.3
346.05698	3.5
346.09161	84.2
347.04160	2.1
508.34372	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	508.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01850	1.9
55.05503	1.4
57.03421	1.0
60.04517	2.1
61.02911	3.0
68.99789	1.9
69.03421	6.6
70.06579	1.9
71.04993	1.6
71.61563	1.6
73.02897	1.1
73.03841	1.0
74.02424	1.2
79.05467	2.1
80.49202	1.0
81.03399	4.1
81.07050	1.8
85.02900	13.2
91.05463	2.6
93.07017	1.6
94.99590	1.0
97.02869	5.8
97.06519	1.3
98.21413	1.0
99.04455	1.9
100.11243	2.6
103.05437	1.5
107.08627	1.3
109.02873	2.0
111.00806	1.2
111.57852	1.1
118.06554	2.1
119.04957	1.5
120.08026	1.4
121.02920	1.4
121.06473	3.4
123.04428	1.8
127.03922	3.9
131.04907	4.3
131.93156	1.1
135.04419	3.7
135.11658	2.0
137.02325	24.6
137.03387	1.4
137.05952	2.6
141.41158	1.3
146.05998	3.7
147.04385	2.7
149.05969	6.5
152.07034	1.4
153.01830	14.3
163.03876	15.7
164.04668	1.3
164.07043	16.9
165.01912	1.4
165.07750	1.5
166.08595	9.5
169.42406	1.1
181.06491	2.3
191.03453	1.9
192.06535	24.1
193.04918	1.6
194.08170	4.9
203.03369	2.2
206.10199	1.5
209.05994	1.2
210.03938	1.7
213.05396	2.0
221.04494	3.7
227.06976	1.7
229.04993	1.5
237.05524	8.7
241.04945	1.4
244.05910	1.3
246.14890	5.6
246.64970	6.3
255.03207	1.2
255.06554	4.4
265.04947	6.1
266.05765	1.8
272.06802	3.9
273.07565	18.5
283.05978	38.2
287.05429	2.8
293.04358	3.0
300.08374	1.4
301.03464	2.1
301.06863	2.2
303.04941	22.6
304.05200	3.5
311.05453	83.9
312.06094	3.2
328.05090	2.3
328.08249	16.9
329.02911	7.4
329.06470	100.0
330.06772	1.5
336.25235	1.3
346.05698	3.5
346.09161	84.2
347.04160	2.1
508.34372	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	508.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.3
55.05495	3.1
57.03421	4.6
60.04514	2.1
64.16310	2.0
65.26565	2.1
67.05466	1.7
69.03408	4.1
71.04989	36.7
75.04471	3.3
83.04961	2.4
84.04453	2.8
85.02423	3.6
85.02896	45.7
91.05458	4.5
95.04960	2.7
98.20741	6.6
99.04446	4.5
103.05431	2.4
105.07024	3.0
109.02881	2.5
111.04422	4.8
119.04890	3.1
121.02857	2.1
127.03909	2.1
129.05421	9.9
129.06984	2.2
131.04935	6.2
132.05219	2.5
134.86079	1.8
135.04402	2.0
137.02328	80.4
137.03328	3.2
137.05934	13.8
138.06287	6.0
141.06961	2.7
146.05959	3.6
146.08115	5.9
147.04402	5.3
147.06546	2.9
148.04755	2.3
148.82962	2.0
149.02286	1.9
149.05911	3.9
151.07527	10.9
152.07864	3.5
153.01833	12.9
161.05965	3.1
163.03812	4.6
163.07512	8.1
164.06998	5.0
164.09163	3.8
165.01830	2.1
165.08963	2.1
167.65288	1.8
175.07478	5.2
176.07957	3.7
177.01851	3.3
177.05450	3.8
179.07054	2.3
180.07358	2.0
185.05765	2.2
190.10799	4.7
191.07008	3.3
194.04428	3.0
197.05873	3.8
201.05360	2.1
207.10071	2.2
208.06052	4.8
209.04337	5.7
217.08484	2.7
225.05467	2.8
226.06998	3.2
229.04930	5.9
229.43652	2.0
243.06512	3.2
245.04436	3.4
247.05969	2.0
253.04900	5.8
257.04514	2.8
271.06021	4.5
273.03827	5.5
275.05313	5.0
281.04355	2.3
285.03741	4.2
298.07132	3.1
299.05408	6.9
301.03391	7.1
301.06754	4.3
303.04932	47.1
307.11600	2.2
308.11880	3.4
309.03830	4.0
316.07947	12.3
319.04312	7.7
326.06589	4.8
327.04922	62.9
344.07605	100.0
345.05905	30.1
356.36215	2.3
362.08670	36.7
508.14087	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	508.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01864	2.4
55.05506	6.8
57.03183	0.6
57.03426	4.1
57.07063	0.9
62.06073	2.2
65.03947	0.7
67.05498	19.5
67.12988	0.7
69.03415	1.6
69.07059	15.0
70.30354	0.9
70.30754	1.8
71.04975	2.4
71.08641	0.7
79.05488	15.1
81.03403	1.8
81.07050	44.9
82.06565	0.8
83.04978	3.4
83.08601	5.0
84.20348	0.5
85.02888	1.7
85.06533	1.4
91.04948	1.1
91.05470	11.0
93.07036	14.8
95.04969	4.1
95.08600	13.9
96.08906	0.6
97.06519	6.0
97.10150	1.8
98.06055	1.1
98.98454	3.5
99.08070	1.9
105.07020	12.8
107.04945	2.8
107.08582	10.1
109.06512	6.1
109.10143	5.5
111.08053	2.2
117.07013	2.9
118.98357	0.6
119.08570	9.6
121.06515	1.4
121.10130	7.1
123.08048	2.6
123.11710	4.2
124.11206	1.0
125.09589	1.3
129.06979	1.8
131.08546	4.9
133.06598	0.6
133.10110	7.6
135.08093	1.3
135.11652	4.0
137.09605	1.5
137.13191	0.9
143.08548	1.7
145.10107	4.5
147.08011	0.8
147.11681	9.1
149.09621	3.8
149.13234	3.9
151.11116	0.8
155.01079	0.9
155.08530	0.7
157.10127	1.9
159.11687	3.7
161.09705	1.2
161.13249	1.8
163.09953	0.6
163.11189	2.6
163.14789	1.0
165.09096	2.7
165.12720	2.2
169.10063	0.8
171.11630	0.7
173.09610	0.8
173.11909	0.5
173.13292	2.0
175.11165	1.6
177.12747	2.7
179.14278	0.8
185.13243	0.7
189.12747	0.6
193.12372	0.7
195.13786	1.5
201.16306	0.6
216.06300	1.7
220.17052	0.9
239.17984	1.1
247.20615	1.3
255.15962	1.5
257.18976	1.7
269.17572	2.9
275.20035	14.6
292.27011	0.8
293.21063	5.0
318.24121	1.2
336.25247	2.2
349.14096	1.0
349.23697	18.2
367.24750	100.0
368.24985	1.5
374.17148	1.8
392.18427	3.6
429.20511	1.4
447.21863	0.8
472.24487	2.1
490.25403	1.9
490.32184	0.7
508.26758	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2665
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
53.03931	4.8
55.01873	9.1
55.05262	1.7
55.05505	28.4
57.03188	1.6
57.03434	21.1
57.07065	2.4
62.06063	2.8
65.03920	4.4
67.05497	75.3
69.03410	3.8
69.07059	58.1
70.85155	2.5
71.04971	6.2
73.02885	2.6
77.16666	1.5
79.05483	72.8
80.05003	2.4
81.03426	9.5
81.07048	100.0
82.06557	5.2
82.07345	1.5
83.04977	11.2
83.08604	16.0
85.02886	2.7
85.06514	4.6
91.05470	50.5
93.06454	3.5
93.07033	61.3
93.75967	1.7
95.04950	17.5
95.08598	44.5
96.08889	2.6
97.06530	17.1
97.10150	5.1
98.06031	2.8
98.98423	7.6
99.08067	4.7
103.03932	1.9
103.05437	1.5
105.06374	2.6
105.07021	38.6
107.04982	10.2
107.08576	33.9
108.08111	2.1
108.65009	1.6
109.06513	9.7
109.10138	13.4
111.04430	1.7
111.08030	6.9
111.11684	1.9
113.09612	3.0
115.05373	2.7
116.06174	1.8
117.07001	22.3
119.08559	32.2
119.09349	2.9
121.06479	4.6
121.10130	22.1
123.04401	2.0
123.08020	3.8
123.11678	8.3
124.01525	3.0
124.11173	2.9
125.09631	2.5
127.07621	1.5
129.05455	6.7
129.06987	7.5
130.07785	1.4
131.08557	20.5
133.10104	25.2
135.08032	5.5
135.11671	20.7
137.09590	4.3
139.03868	4.0
141.06964	4.4
142.02599	2.5
143.08519	4.9
145.10110	16.0
147.08015	2.2
147.11656	13.2
149.09622	14.4
149.13246	15.0
151.11119	2.8
155.08565	2.2
157.10098	7.5
159.07991	2.0
159.11671	19.5
161.13197	8.7
163.11185	13.2
163.14870	2.6
165.09065	5.3
169.10101	7.9
171.11655	6.7
173.13237	8.3
175.11166	3.6
177.12712	8.6
179.14287	5.9
181.12234	2.5
183.11639	4.8
185.13190	1.7
187.11224	3.4
193.04919	2.0
195.13770	8.8
196.10922	2.0
197.13307	3.0
198.05260	3.1
201.12566	1.6
216.06244	3.1
220.16927	8.3
222.08905	4.6
229.14015	1.7
229.19504	3.4
238.17993	7.2
239.17859	10.8
241.19360	1.9
251.16325	4.7
252.89648	1.6
255.15878	27.7
257.18900	10.6
269.17456	61.2
275.20035	23.9
285.16760	1.7
294.20404	2.9
300.23141	2.9
310.28201	2.5
318.24234	6.2
321.23956	2.4
331.22647	37.0
336.25302	4.3
349.23676	79.4
350.23898	2.5
367.24777	71.7
374.17169	7.9
374.26993	1.9
378.16589	4.9
388.22647	1.9
392.18283	39.6
392.27759	2.1
429.20724	3.7
472.24866	11.1
490.26202	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05030	0.5
57.03429	0.2
58.06316	0.2
58.06630	0.5
59.07382	0.2
60.08161	5.7
62.12034	0.1
66.34267	0.1
67.05504	0.4
68.42528	0.1
69.07069	0.5
69.68157	0.7
71.07371	2.5
79.05469	0.2
81.07050	0.4
83.08620	0.3
86.09702	27.4
87.10025	0.1
93.07016	0.2
95.08624	0.3
97.10149	0.2
98.98457	2.4
104.10735	2.5
109.10181	0.2
121.10213	0.2
124.99998	18.8
141.76563	0.1
143.01028	0.2
149.49498	0.1
163.01514	0.1
184.07332	100.0
185.07677	0.4
258.11215	0.2
490.33041	1.1
508.34021	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.9
53.03933	1.6
55.01872	1.3
55.05501	1.3
57.03445	1.1
62.84398	0.7
65.03923	2.0
65.25623	0.7
67.05499	2.9
69.03407	1.5
69.07070	2.2
69.55460	1.6
69.55862	5.9
70.06596	1.0
71.04987	1.8
79.05491	5.6
81.03397	1.4
81.07064	4.2
83.05016	0.7
85.02906	2.2
91.05470	15.2
93.07026	4.3
94.04189	2.5
95.04963	4.1
95.08609	3.3
98.21306	2.4
103.05483	4.2
103.34290	0.7
103.67119	0.7
105.07021	7.4
107.04958	6.2
107.08597	3.5
108.05712	1.4
109.06501	3.0
109.10164	1.6
111.08109	0.8
115.05450	6.1
115.11916	0.7
116.98641	0.7
117.03373	0.8
117.06998	4.4
119.04938	7.4
119.08585	2.6
120.68565	0.7
121.06493	5.4
121.10192	1.2
122.03632	8.5
123.04454	1.8
123.08038	4.2
125.05892	0.9
128.06218	3.1
129.06998	8.8
131.04932	6.6
131.08592	3.8
133.02832	1.1
133.06496	3.0
133.10081	1.2
135.04443	2.5
135.08054	5.0
136.05199	2.0
137.05968	100.0
143.04889	4.2
145.06506	4.0
146.03639	1.5
146.07211	1.9
147.04430	3.9
147.08025	2.6
148.05188	2.6
149.06000	6.9
149.09691	1.8
150.06822	1.0
151.03943	2.0
151.07533	45.9
153.06973	1.0
156.05736	1.2
157.06502	6.1
159.08044	1.3
160.05183	2.5
161.05971	59.1
161.09602	12.7
161.42191	0.7
162.06721	1.3
163.03963	1.3
163.07545	9.7
165.05615	1.6
165.07039	3.3
165.09062	4.0
166.07750	1.1
167.07043	3.4
167.08582	1.9
169.06480	1.3
173.05995	2.3
174.06776	4.4
175.07532	25.6
177.05406	1.1
177.09106	6.2
178.07803	1.4
179.07053	1.2
179.08525	1.8
181.06525	2.4
182.07198	0.9
185.06036	1.1
187.07538	3.5
189.07327	1.4
189.09093	30.7
191.06998	1.8
191.08598	2.1
191.10643	1.6
193.06580	1.6
193.08604	0.9
194.07355	1.2
195.08098	3.3
195.10136	22.8
197.05995	1.3
197.09711	1.2
198.06754	0.8
199.07607	2.0
201.12590	0.8
205.06503	3.6
205.08429	1.4
205.10251	0.9
206.07208	1.5
207.08127	2.6
207.10126	31.4
207.12029	1.7
208.08806	1.1
209.06046	1.4
209.09566	1.1
210.06728	1.1
211.07578	3.4
212.08188	0.8
213.05589	1.0
213.09207	1.8
218.07292	1.7
219.08128	4.0
220.08728	1.3
221.06010	2.5
221.09604	1.9
222.06795	1.3
223.07571	2.0
223.11273	1.0
224.08295	0.9
225.09035	3.7
227.06934	1.9
227.10548	1.2
231.08002	1.7
233.05962	2.2
233.09593	1.9
234.06717	3.5
235.07513	4.0
236.08287	1.4
237.09108	6.5
238.06277	1.4
239.06976	2.5
239.10670	2.1
240.07976	1.0
241.08546	1.5
241.12114	0.9
245.06155	0.9
245.09583	1.4
247.07616	3.4
248.08342	1.9
249.05484	1.2
249.09113	6.9
250.06236	1.6
250.09824	1.9
251.07028	1.9
251.10725	2.6
252.07755	1.5
252.11244	1.0
253.08585	6.2
254.09264	1.2
255.06474	2.0
261.09082	1.3
262.06259	2.2
263.06958	1.2
263.10638	1.6
264.07867	1.1
265.08527	11.4
265.12363	0.9
266.09375	2.1
267.10217	3.2
268.07336	2.3
269.08151	2.4
269.11798	1.4
270.08731	3.6
273.09058	1.6
275.20294	0.8
277.08603	9.1
277.11786	1.3
278.09198	1.3
279.10092	4.4
281.08109	3.2
282.09164	1.0
283.09634	5.2
284.10385	2.2
285.11182	9.0
287.12793	2.3
289.08630	0.9
290.09290	1.2
291.10187	2.3
293.08060	2.1
293.11749	1.2
293.45789	0.8
294.08926	1.3
295.09653	3.4
295.13062	1.2
296.10495	2.3
297.11218	20.3
298.12061	1.2
299.12808	4.8
305.11765	2.8
306.12891	0.9
307.09485	1.0
308.10403	2.3
309.11279	6.5
310.11975	1.4
311.12790	21.6
311.16183	1.6
313.10678	2.3
313.14172	1.7
314.09116	0.9
317.14236	4.6
323.12875	7.2
325.14243	2.0
327.12189	2.3
327.16000	2.5
329.13821	2.1
335.12891	1.6
337.14313	17.3
341.13995	1.5
343.15356	3.5
349.14331	3.5
353.13382	0.8
355.15372	25.2
367.15393	9.6
420.15869	1.0
433.16687	1.2
435.17914	1.7
461.19708	2.7
479.20538	7.0
491.20377	2.6
509.21667	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	509.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87050	2.0
53.03170	2.8
53.03929	5.0
53.86517	2.4
54.71885	2.3
55.01847	9.1
55.05503	42.2
56.96554	3.0
57.03432	13.5
57.07057	8.5
59.04976	3.3
61.02927	3.7
65.03917	4.3
67.05169	3.3
67.05497	54.4
69.03403	8.6
69.06717	4.2
69.07063	54.3
70.07371	2.8
71.04987	11.9
71.08618	5.6
71.60963	4.1
79.05043	4.6
79.05480	51.6
81.03421	20.7
81.07049	100.0
83.04964	11.4
83.08606	30.2
85.02892	10.3
85.06516	12.8
91.03931	2.9
91.05468	34.0
93.07030	50.3
95.04967	30.1
95.08589	69.1
97.02878	7.5
97.06504	14.7
97.10155	33.9
99.08074	5.9
105.07011	26.2
107.04953	20.9
107.08576	43.6
108.08975	2.1
109.06498	19.4
109.09450	3.3
109.10143	50.4
109.28656	2.7
111.04401	3.4
111.08060	7.2
111.11704	12.8
115.05449	4.9
117.07005	11.9
119.01912	2.8
119.08558	19.3
119.55744	2.5
121.06469	12.4
121.09330	2.9
121.10129	33.0
123.04398	5.3
123.08029	7.1
123.11684	25.0
125.05964	8.7
125.09617	15.0
125.13241	6.9
127.03899	5.4
127.11159	2.6
129.06985	9.1
131.08543	19.7
133.06409	4.5
133.10110	13.1
135.04440	5.2
135.08002	9.4
135.11667	12.9
137.05933	5.7
137.09607	3.2
137.13222	10.6
139.03880	17.0
139.11169	3.9
142.07809	3.1
143.08588	4.7
145.06462	8.7
145.10069	12.2
147.08015	7.0
147.11652	13.0
149.05782	2.3
149.09567	9.3
149.13232	18.2
151.14851	4.1
153.05443	11.5
153.09056	3.5
153.12756	4.3
155.08562	6.3
157.06386	3.3
157.10072	5.9
159.08072	3.6
159.11737	3.8
161.05972	3.9
161.09596	5.5
163.03899	4.8
163.07561	3.0
163.11157	7.7
163.14751	6.0
165.12709	2.9
165.16455	3.8
167.06972	3.3
167.10678	6.0
167.14255	3.7
171.11583	4.9
175.11151	8.0
175.14761	2.7
177.12744	2.9
179.17931	3.3
187.11189	4.6
187.14845	3.1
189.11182	12.4
191.14282	5.9
193.08548	2.5
193.12251	10.3
193.19467	4.7
199.13240	7.7
201.12788	3.8
211.13176	6.4
215.14299	3.6
219.13750	8.7
223.13130	3.6
227.12677	13.9
229.15881	2.8
233.15288	9.4
237.14827	4.0
245.06482	2.9
249.14781	4.1
251.39041	2.5
255.36652	2.6
267.08868	3.4
267.15948	4.7
273.14627	5.0
275.27246	9.3
277.18167	5.5
281.28351	10.0
285.10083	3.1
287.03775	7.5
289.05234	28.4
291.19479	3.6
293.17328	7.5
293.28384	28.1
305.17661	3.1
311.29486	12.1
329.30353	4.6
337.14200	5.0
339.23157	4.1
349.21353	4.4
350.24072	21.6
351.25192	4.5
355.15268	4.7
359.04047	2.7
367.22720	18.9
368.25110	7.2
375.10849	3.5
385.23770	30.4
401.12830	4.0
403.24710	8.2
429.29654	4.4
435.84207	2.5
441.26114	9.4
447.31082	13.1
459.27417	39.8
465.24548	9.0
465.31906	8.7
477.28479	30.2
491.30096	12.9
509.23346	65.6
509.30511	7.9
529.24835	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.45562	2.3
55.05296	1.9
55.05505	21.9
57.03401	2.3
57.07064	15.2
61.15333	2.5
67.05495	29.0
69.03414	2.3
69.07061	58.7
70.89461	6.4
71.08615	5.7
79.05484	13.1
81.03400	4.1
81.07046	100.0
83.08607	29.9
85.02884	7.0
85.06528	7.7
85.10172	3.4
91.05444	7.8
93.07042	17.1
95.04971	3.4
95.08598	93.0
97.06500	2.0
97.10157	20.9
99.08118	10.4
105.07017	5.6
107.08596	23.9
109.10145	61.4
111.08070	2.7
111.11710	16.3
113.09650	3.5
119.04908	2.3
119.08533	4.9
121.10148	10.4
123.11690	38.6
125.13258	8.4
127.11153	6.3
129.88226	2.2
135.11647	11.6
137.13252	23.1
139.14804	5.1
143.14287	3.4
145.10104	3.0
145.52687	2.0
147.11638	2.8
149.13254	21.5
150.55795	2.1
151.14812	23.4
153.05443	2.7
153.12700	7.5
155.14250	5.7
163.14815	11.0
165.16399	13.1
167.14346	4.0
169.15807	6.1
171.11621	2.5
171.13829	2.6
177.16386	3.5
179.17937	6.2
191.17931	4.3
193.12390	2.3
193.19420	2.7
205.19400	3.4
219.21147	5.1
246.30531	2.2
275.27328	13.5
281.28442	12.3
293.28345	31.2
311.29407	22.8
322.24323	2.6
329.30417	9.3
355.15289	4.5
481.13754	2.3
509.23642	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99424	1.6
53.03935	3.4
55.01866	3.1
55.05503	21.2
57.03429	4.0
57.07070	15.1
59.04980	1.8
61.02917	1.7
65.03919	1.9
67.05499	31.5
69.03403	5.2
69.07059	54.7
70.91019	1.3
71.01334	1.5
71.04984	4.1
71.08609	5.2
71.63770	2.0
74.27971	1.3
78.98917	1.4
79.05489	18.1
81.03413	12.7
81.07050	100.0
83.04975	3.2
83.08613	34.7
85.02897	17.9
85.06535	8.9
85.10201	1.7
91.05466	14.4
93.07034	25.9
95.04960	8.3
95.08599	83.7
96.08947	1.7
97.02883	3.8
97.06535	3.4
97.10152	18.9
99.04468	3.0
99.08069	8.6
105.07030	12.8
107.04952	2.5
107.08585	26.6
109.02864	2.4
109.06512	4.9
109.10145	54.8
111.04441	3.4
111.08078	7.0
111.11707	16.3
113.09643	2.4
117.07018	3.6
119.08536	7.3
121.06506	2.8
121.10136	14.0
123.04440	2.6
123.08124	2.3
123.11691	38.2
125.09610	3.0
125.13263	12.9
127.03958	4.0
127.11215	1.5
129.06999	3.5
131.08543	5.6
133.10146	8.0
135.04474	1.7
135.08054	1.8
135.11679	10.3
137.05957	6.2
137.09651	1.7
137.13243	25.8
139.03833	2.5
139.14830	4.6
141.07204	1.5
142.92676	1.4
145.04936	2.4
145.06548	2.4
145.10124	2.8
147.04359	1.8
147.08040	1.4
147.11697	4.9
149.09544	1.7
149.13257	28.6
151.03847	1.9
151.07512	2.3
151.11151	3.2
151.14844	9.5
153.08951	1.6
153.12708	2.3
155.14308	5.9
157.10161	4.4
157.15871	2.9
159.11734	1.6
161.05934	2.4
161.09634	1.9
161.13240	2.2
163.06038	2.0
163.07448	1.7
163.11166	1.6
163.14752	8.0
165.12772	1.4
165.16364	7.7
167.14308	18.2
169.15892	2.4
175.11137	3.1
177.16341	2.0
179.17920	6.0
185.13251	1.5
189.08968	1.8
191.18005	2.4
193.12183	9.5
193.19484	3.5
199.03967	3.6
205.19492	2.5
211.13258	11.8
212.01964	1.5
217.04770	1.5
219.21083	2.4
234.98796	1.9
237.22076	1.7
249.25768	2.6
267.15860	1.7
275.27356	15.5
293.28372	34.6
311.12692	1.9
311.29568	5.0
337.14291	6.9
355.15347	4.5
459.27698	2.1
491.26437	2.6
509.20911	1.7
509.27457	21.8
510.18701	2.8
510.27667	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	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33099	2.5
55.05514	23.6
57.07077	14.4
57.92855	2.5
67.05495	29.7
69.06709	4.2
69.07064	58.0
69.47057	9.2
69.47471	15.0
71.04959	3.3
71.08619	4.9
79.05469	12.9
81.03406	4.0
81.07048	100.0
83.04985	3.1
83.08608	35.8
84.68542	2.9
85.02898	12.0
85.06513	8.1
85.10152	3.0
91.05462	3.1
93.07031	19.3
95.08595	98.1
97.10162	20.1
99.08077	8.9
107.08604	21.8
109.10143	58.2
111.08090	4.8
111.11707	22.4
121.10132	11.2
123.11689	36.9
125.13247	14.2
127.11157	3.8
128.59218	3.2
133.44315	3.0
135.11682	8.7
137.13234	31.0
139.14819	5.2
143.14217	3.1
149.13234	25.2
151.14795	20.5
153.12724	3.3
153.16446	2.8
155.14290	8.9
163.14839	9.8
165.16376	11.7
167.14333	13.6
169.15912	6.1
177.16454	2.9
179.17986	3.3
193.19487	4.0
195.06430	2.8
205.19484	3.4
219.21103	3.1
250.69597	2.9
275.27377	19.5
281.28354	8.1
289.05264	3.8
293.28363	47.5
310.07260	2.6
311.29398	13.2
509.22653	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	510.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
67.05482	0.5
70.55268	0.4
71.37007	1.1
71.94227	0.4
73.02921	3.6
91.05473	2.5
91.62988	0.4
93.07042	0.7
94.04106	0.6
95.04964	0.7
103.05458	6.7
105.07018	0.6
107.04935	0.6
108.05918	0.5
115.05422	0.6
116.06197	0.6
117.06992	1.8
119.04918	1.7
120.10202	0.4
121.06517	0.8
122.03579	0.8
122.48824	0.4
123.08028	0.7
129.06967	0.7
131.04915	15.4
134.07277	0.5
135.08035	0.8
137.05962	21.9
143.08507	1.0
145.06432	0.7
147.04358	0.4
149.05972	1.1
149.09505	0.6
151.03957	0.5
151.07532	12.5
157.06520	1.0
161.05959	2.0
162.06763	1.8
163.07532	39.5
167.08557	0.7
171.08011	0.9
175.07507	2.8
177.09090	100.0
178.09489	1.1
179.08392	0.6
189.09134	3.0
195.08051	1.9
195.10139	2.3
203.10641	0.6
221.05951	0.8
221.09721	0.8
221.11693	17.1
223.07587	0.9
225.09055	0.9
227.10632	2.4
237.09221	0.8
249.08932	0.5
253.08592	0.8
253.12271	1.3
255.10175	3.0
265.08762	0.6
267.10202	0.7
285.11209	1.6
287.12683	4.7
299.12698	0.9
311.12717	1.5
313.14346	3.5
331.15387	15.6
343.15408	2.0
478.15692	0.5
500.22031	0.5
511.16760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27993	0.7
57.03432	1.0
58.12742	0.8
60.04509	2.7
67.05486	0.9
69.03404	1.6
69.07077	0.8
69.36840	1.6
69.37248	5.9
70.06573	1.6
71.04984	1.9
73.02919	1.5
79.05476	1.0
81.03393	0.7
81.07033	1.7
85.02888	5.5
88.65820	0.7
91.03970	0.7
91.05457	1.6
92.05765	0.8
93.07035	1.4
95.04961	1.0
95.08575	1.6
97.02872	1.5
97.06485	0.8
98.20712	0.8
98.21267	2.8
105.07024	1.3
107.08546	1.1
109.02870	0.9
115.05481	1.0
118.82915	0.7
119.08668	0.9
123.11725	0.9
127.03889	1.3
129.06985	4.3
131.08563	5.3
133.10132	0.9
137.05936	2.5
141.06947	3.0
144.05608	0.8
145.04947	1.1
145.06433	1.5
149.04465	1.0
151.11125	2.6
157.06473	3.9
158.07245	1.4
159.08025	5.1
160.05098	1.0
161.05914	3.5
161.09576	2.5
162.06328	1.1
163.07507	0.8
166.12195	0.7
169.06474	2.4
169.12193	1.4
170.07283	1.3
171.08015	1.0
174.06764	9.1
175.07497	2.8
186.06743	2.3
189.07370	1.3
189.09085	25.9
190.09343	1.2
191.10600	1.9
201.09106	6.7
203.10674	3.2
203.57417	0.7
207.10146	2.9
208.10423	1.4
219.10136	100.0
220.10469	1.1
221.11688	2.2
237.11201	2.9
281.10397	1.2
285.16977	2.1
287.05377	1.7
326.06448	1.4
348.27332	1.2
469.80371	0.8
510.18030	0.7
510.32983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01860	3.3
55.05507	4.2
57.03432	1.7
57.07054	0.8
62.06073	0.8
67.05490	4.1
69.03421	1.3
69.07062	4.2
70.94427	1.3
71.08630	0.6
79.05478	4.6
81.03422	0.9
81.07048	24.4
81.73214	0.5
82.07406	0.5
83.04964	2.6
83.08605	2.3
84.90157	0.5
85.02896	1.0
85.06504	0.7
91.05463	2.7
93.07034	4.7
95.04979	1.0
95.08588	5.3
97.06520	1.5
97.10204	0.8
99.08101	0.6
104.10695	0.8
105.07009	2.7
107.04936	0.8
107.08556	5.0
109.06505	9.1
109.10134	2.8
111.04427	16.5
111.05186	0.8
111.08076	2.0
117.07046	0.6
119.08556	4.4
121.06522	0.7
121.10120	5.1
122.05894	0.5
123.08062	1.7
123.11699	1.8
124.01549	0.6
125.05992	5.5
125.09614	0.7
127.03860	0.5
131.08559	2.1
133.06421	0.5
133.10112	4.9
135.08037	2.0
135.11668	5.2
137.05962	100.0
137.13248	2.1
138.06317	1.0
139.03928	0.5
139.07565	0.8
143.08528	1.5
145.10133	1.6
147.08047	1.7
147.11652	6.8
149.09590	4.0
149.13229	1.7
151.07491	2.5
151.11188	1.6
153.01817	0.9
154.31673	0.5
155.14287	0.5
157.10126	2.3
159.11687	1.1
161.09607	6.3
161.13196	3.0
163.07550	0.6
163.11197	3.7
163.14848	0.7
165.09105	1.9
165.12788	0.6
167.10652	1.1
171.11667	1.2
173.13210	0.7
175.11162	4.6
175.14810	1.5
179.10651	2.8
181.12228	1.0
183.13704	1.0
184.07343	0.8
185.13217	0.7
189.12762	1.7
193.12257	1.6
198.05205	0.7
203.17928	6.7
205.19374	0.6
213.16310	2.7
216.06314	0.8
221.18982	2.0
223.14934	0.9
231.17422	8.4
241.15865	1.1
249.18465	6.5
277.17966	44.5
278.18262	0.7
295.18994	16.8
295.22324	0.8
320.22217	4.0
351.21622	72.8
352.22012	1.4
355.04422	0.7
369.22681	38.3
370.23041	0.8
431.18005	2.6
474.22430	1.3
492.23483	3.1
493.14932	3.8
510.24628	2.3
511.16293	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01851	2.9
55.05492	2.4
57.03419	4.3
57.07056	0.9
59.04790	0.8
59.04998	9.1
60.04517	4.7
61.02925	6.5
67.05489	4.7
69.03420	15.1
69.07053	1.7
70.06573	2.6
71.04631	1.5
71.04986	18.2
71.61193	1.4
73.02895	4.1
79.05486	7.7
81.03400	6.2
81.06565	1.6
81.07046	25.6
83.04964	1.4
83.08630	1.4
85.02894	73.0
86.09702	1.9
87.04432	1.4
91.03934	2.9
91.05466	7.9
93.07033	14.5
93.85166	0.9
95.04966	5.5
95.08582	4.1
97.02273	1.3
97.02875	21.9
99.04408	5.4
105.07025	5.5
107.04971	1.6
107.08573	14.8
109.02861	5.4
109.06497	8.3
109.10146	21.8
111.08061	9.8
115.05343	1.0
117.07035	0.9
118.17322	0.9
119.08552	1.7
120.08054	1.2
121.06445	1.2
121.10156	2.3
123.08087	2.7
123.11697	29.8
127.03902	17.4
129.07072	1.2
131.08534	3.1
133.10103	14.5
135.07939	1.0
135.11612	1.7
137.05972	4.0
138.09131	1.1
143.08533	1.4
145.04935	29.1
147.08025	1.1
151.11162	100.0
153.01776	2.1
153.10277	1.1
153.12717	2.9
157.06375	1.2
157.60185	0.9
159.08028	1.4
161.05998	6.3
161.09589	1.8
162.06255	2.9
163.05988	10.3
163.07271	1.7
169.12227	31.9
173.13264	1.2
174.06725	2.5
175.11142	0.9
177.08890	0.8
186.06635	1.4
189.09074	6.5
190.09386	2.5
191.14330	1.7
201.09000	1.7
207.10155	3.7
208.10521	2.9
214.57756	0.9
219.10155	18.1
287.05505	2.9
295.15353	4.7
313.16483	8.2
315.18402	1.0
325.11298	6.8
326.06586	2.7
330.26358	1.9
331.17410	14.7
348.27408	3.2
361.02109	3.0
376.99323	1.5
379.03195	1.4
399.81284	1.0
426.44281	1.1
437.04968	2.3
492.31897	1.3
510.21054	1.3
510.32532	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	510.3535
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05490	1.4
56.05030	1.3
56.89791	0.5
57.03433	0.8
57.06810	0.8
57.07067	8.4
58.06591	1.5
60.07865	1.0
60.08156	14.7
66.83681	0.5
67.05492	2.3
69.07060	1.9
69.38643	1.8
69.39063	3.7
71.07372	6.4
71.08627	5.5
71.76682	0.6
79.05482	0.8
81.07044	3.1
83.08633	2.7
85.10172	3.6
86.09696	48.9
88.77534	0.5
89.48471	0.5
90.11250	0.5
95.08578	5.2
97.10145	1.3
98.20757	1.2
98.21399	1.3
98.98439	2.9
99.11726	0.9
104.10732	100.0
109.10152	2.4
109.86233	0.6
123.11679	0.9
124.99064	1.2
124.99989	25.6
163.01579	1.0
163.07979	0.5
180.45313	0.6
183.11740	0.7
184.07318	98.9
184.89752	0.6
206.81337	0.5
239.23671	3.9
257.24695	0.8
258.11203	0.7
262.38544	0.6
274.93137	0.7
280.65320	0.6
313.27325	15.9
327.28976	1.6
331.28281	3.4
492.34439	9.8
510.35507	47.4
511.35641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
54.63958	0.9
55.01860	6.3
55.05505	13.4
57.03433	11.0
57.07058	3.1
59.04972	1.4
61.02639	1.9
61.02920	26.0
65.03942	2.2
67.05500	32.7
68.99751	1.1
69.03422	15.4
69.07064	12.4
70.75577	2.1
70.75948	2.0
71.01330	2.2
71.04966	5.0
73.02904	8.8
78.15500	1.0
79.05042	1.9
79.05484	22.9
79.16072	1.1
81.03408	16.9
81.06573	1.6
81.07048	32.7
83.04980	8.4
83.08614	5.3
85.02893	25.9
85.06523	2.0
87.04465	1.9
91.03951	11.1
91.05470	21.5
93.07031	26.2
95.04948	9.2
95.08598	18.0
97.02882	19.0
97.06504	5.1
97.10149	3.8
98.98438	1.9
99.04425	4.8
101.02354	5.1
103.03902	2.3
103.05448	1.4
105.07024	21.3
107.04928	8.0
107.08578	18.5
107.37639	0.9
109.02872	9.3
109.06512	10.8
109.10136	10.4
111.04449	1.6
111.08067	3.9
115.03895	1.6
115.05418	1.3
117.07000	7.9
119.08557	16.9
121.06498	8.3
121.10117	10.8
123.08054	5.8
123.11713	1.5
125.09616	2.8
127.03905	18.3
128.06131	1.2
129.05487	1.6
129.06978	4.1
131.08563	15.8
133.06476	3.4
133.10115	17.2
135.08003	5.1
135.11684	7.7
137.05956	1.2
137.09578	2.4
139.03859	3.2
139.07538	1.1
139.11122	1.0
143.08522	6.2
145.04933	4.4
145.06454	2.3
145.10101	14.2
147.08012	2.9
147.11668	11.9
149.09608	6.7
149.13222	2.8
151.11168	4.6
153.01799	4.1
155.08556	2.4
157.10107	4.0
159.06677	1.0
159.08023	4.8
159.11662	9.2
161.09615	3.9
161.13242	3.1
163.03871	1.2
163.11162	6.0
165.05501	1.6
165.12726	1.8
169.10132	1.6
171.11661	2.3
173.09618	3.2
173.11824	1.7
173.13164	6.7
175.11128	3.0
177.09055	1.3
177.12715	1.9
183.06488	2.9
183.11736	4.7
185.09621	1.0
185.13290	2.5
187.07520	1.2
187.11217	2.2
187.14781	1.1
189.12717	2.0
191.14264	3.8
193.12260	3.2
197.13272	2.0
201.12727	2.5
203.14276	1.4
207.13776	3.5
211.13338	2.6
213.16287	1.1
215.14281	1.3
219.13770	1.9
227.12711	1.4
229.19571	1.5
237.14848	1.1
239.17941	2.4
247.20557	3.6
257.18988	14.8
273.18500	1.9
275.20029	100.0
276.20422	1.6
279.06445	1.2
289.03342	2.0
293.21100	13.7
317.03091	1.5
319.04483	1.7
343.19086	1.2
349.23700	48.7
355.04471	5.2
365.20706	1.7
367.24600	1.6
377.23193	4.1
381.05820	1.3
383.21951	1.9
391.24756	11.9
407.24188	1.5
433.25766	1.4
439.26736	3.4
457.25754	4.4
463.32104	1.0
475.13766	2.3
475.26703	3.8
493.14850	13.0
493.27863	5.6
494.15216	2.1
511.16077	13.2
511.29352	12.5
512.15802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.0
55.01871	11.2
55.05262	2.1
55.05506	26.6
57.03425	23.8
57.07065	3.2
61.02930	12.3
65.03945	4.6
67.05496	65.6
69.03420	43.1
69.07059	22.8
70.89346	5.0
71.01354	2.4
71.04989	12.2
71.96149	1.8
72.02337	1.8
73.02901	8.7
79.05481	61.4
81.03409	63.8
81.07049	100.0
83.04972	20.8
83.08611	11.8
85.02896	30.9
85.06525	4.9
87.04463	3.0
91.03938	4.8
91.05470	58.4
93.07041	53.5
93.87334	2.1
95.01349	2.1
95.04963	18.4
95.08602	42.7
97.02882	40.7
97.06519	13.8
97.10144	5.9
99.04440	13.7
99.08096	3.4
101.02373	3.5
101.10442	2.0
103.03925	3.2
105.07022	52.6
107.04937	10.0
107.08581	41.2
107.09277	3.3
109.02850	15.2
109.06493	14.1
109.10162	22.3
111.04422	7.7
111.08062	6.0
115.05436	2.3
117.06983	20.1
119.08565	43.9
121.06502	7.0
121.10149	20.4
121.12801	2.0
123.04435	3.3
123.08041	8.5
123.11697	5.7
125.09639	4.5
127.03918	24.3
127.07616	2.7
128.06212	3.3
129.05453	7.1
129.06966	10.5
131.04889	3.2
131.08563	29.6
133.06473	4.2
133.10117	40.8
135.08046	10.0
135.11694	15.8
137.09587	5.5
139.11136	3.4
141.06996	5.5
143.08542	11.1
145.04951	3.2
145.06464	4.8
145.10109	30.0
147.07993	4.0
147.11668	27.9
149.09579	12.0
149.13252	12.7
151.11179	7.8
155.08572	5.7
157.10129	11.8
159.08067	3.4
159.11665	23.9
161.09618	5.2
161.13226	7.9
163.07562	2.5
163.11169	7.3
165.09155	2.1
165.12679	4.4
169.10098	5.2
171.11670	11.8
173.04449	23.0
173.09662	4.3
173.13217	13.0
175.11157	5.9
175.14842	3.4
177.12737	7.5
183.06474	4.3
183.11725	7.9
185.13237	4.6
187.14832	3.8
189.12764	2.5
193.12190	3.3
195.13794	10.9
197.13258	6.2
199.14850	2.8
213.12871	3.0
215.14383	3.0
229.19470	5.5
233.15440	2.2
239.17957	6.9
247.20523	10.7
249.14706	3.3
257.18890	16.2
269.17468	7.1
271.82269	2.3
275.20032	68.3
293.21051	6.2
303.16019	2.9
313.06613	2.0
331.22589	5.5
339.18201	2.4
349.23703	72.4
367.24786	5.0
391.24509	4.0
413.21643	37.8
457.25726	2.5
475.26779	5.4
493.27795	11.8
511.16675	3.7
511.28940	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01867	10.6
55.05503	32.6
56.05839	3.3
57.03435	26.9
57.07063	4.0
61.02920	7.5
67.05159	4.7
67.05499	71.2
69.03424	47.3
69.07063	27.4
70.94905	3.6
70.95231	6.1
71.01311	2.7
71.04980	16.7
71.08636	3.2
73.02905	7.9
76.84374	2.4
79.05483	61.7
81.03410	84.3
81.07049	100.0
81.85471	2.4
83.04980	21.7
83.08608	20.6
85.02895	34.6
85.06532	5.3
91.03938	3.7
91.05465	58.2
91.38413	2.9
93.07029	54.6
95.04961	19.8
95.08601	49.4
96.40023	2.5
97.02882	45.9
97.06547	15.6
97.10166	8.4
99.04425	14.6
99.08081	7.6
101.02393	4.2
102.14754	2.5
103.03924	4.3
105.07021	52.4
107.04949	13.2
107.08588	39.9
109.02867	18.3
109.06490	8.3
109.10146	25.2
111.04436	10.1
111.08074	8.0
115.03919	2.6
115.05369	2.6
117.07023	26.1
119.08565	34.3
121.06490	6.5
121.10114	28.9
123.04383	3.0
123.08080	8.8
123.11727	8.3
125.09630	5.5
127.03890	26.2
128.06238	4.3
129.05475	7.5
129.07002	10.3
131.08559	30.5
133.06453	3.2
133.10124	34.5
135.08020	7.2
135.11690	19.5
137.09662	6.2
141.07010	7.0
143.08586	9.7
145.04922	4.9
145.06445	3.5
145.10091	24.3
147.08063	5.7
147.11652	28.3
149.09615	11.3
149.13219	20.1
151.11156	5.1
152.34137	2.6
155.08566	5.6
157.10121	11.5
159.08031	4.1
159.11678	26.9
161.09616	4.9
161.13231	8.1
161.51167	2.7
163.11171	4.9
165.12784	5.4
169.10129	7.6
171.11673	6.8
173.04462	33.0
173.09648	5.4
173.13289	10.8
175.11258	4.2
175.14932	3.2
177.12717	9.3
179.14272	3.3
183.06599	3.8
183.11728	4.4
187.11154	3.3
187.14790	6.4
193.12225	6.5
195.13777	12.9
197.13268	4.0
201.12813	3.2
211.13083	3.1
213.14769	6.9
217.15851	2.7
229.19498	8.0
239.17860	3.7
243.13669	4.3
247.20566	4.8
257.18982	13.4
261.14835	5.6
262.28433	2.9
267.15939	4.5
269.17383	12.4
275.20044	49.8
278.21970	5.0
279.15863	2.9
291.19348	3.1
293.21112	4.0
297.16925	3.5
303.15875	4.9
321.17175	3.2
331.22601	6.3
339.18179	4.8
348.15256	3.5
349.19702	4.8
349.23706	54.7
352.25803	3.6
367.24429	3.7
369.26089	4.1
370.26715	28.2
377.23907	3.1
391.24738	3.0
395.20483	6.3
413.21606	51.3
451.32224	4.3
475.19974	2.8
475.26959	5.6
493.27676	12.3
511.28854	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71412	1.2
56.96556	1.3
57.03422	1.2
61.02900	1.3
62.94073	1.1
65.03922	1.2
69.03408	5.2
70.06575	4.1
71.04958	2.1
71.61098	1.4
72.82157	1.1
79.05450	1.4
81.03412	2.4
85.02887	14.1
85.87559	1.2
86.09673	1.5
91.05470	9.6
93.33195	1.3
95.01298	7.8
95.04931	2.4
95.73254	1.2
97.02873	5.9
99.00802	1.3
99.04411	1.3
107.04982	1.5
107.08574	1.7
109.02854	1.6
111.04444	1.3
119.04932	14.2
121.10063	1.3
123.00771	63.6
123.04413	3.7
127.03940	5.7
131.04890	2.6
131.14517	1.1
136.07555	2.1
139.03877	3.1
141.01802	27.6
141.06923	7.2
145.04958	2.3
147.04385	76.8
147.11615	1.1
149.05943	1.2
153.06929	2.1
157.06439	1.6
161.05908	1.9
163.06114	1.3
165.05400	3.2
169.01297	100.0
169.06372	8.5
177.05408	3.7
195.02792	1.9
195.04401	3.6
197.06007	9.3
206.77313	1.2
207.10124	1.8
213.00836	1.5
213.05356	1.8
221.00816	1.1
223.03865	20.8
225.05414	3.2
241.04906	4.5
243.06375	1.7
251.03256	1.7
269.04398	61.3
271.06094	5.7
279.03036	1.7
287.05463	17.3
289.07037	18.6
297.03894	10.2
300.23679	1.2
307.08109	2.7
313.05466	1.6
315.04926	55.5
333.06052	10.5
335.04245	1.5
344.13199	1.4
446.12100	1.6
503.16403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.8
59.11490	8.3
63.21780	8.4
68.08708	8.1
69.07074	12.2
69.97834	54.3
71.30595	9.5
75.43989	10.0
79.05470	17.9
81.07050	32.2
83.04592	9.0
83.04990	90.5
85.66926	8.8
93.07027	36.5
95.04996	11.1
95.08597	33.0
98.20815	17.5
105.07050	15.3
107.08586	40.3
109.10155	12.6
119.08569	26.4
121.10118	23.4
123.08090	14.6
125.67130	9.0
127.41926	9.0
129.61894	9.1
131.08569	18.4
133.10118	31.5
135.11618	15.8
145.10133	15.9
147.11667	33.1
159.11713	23.5
161.13284	23.0
174.61926	9.9
187.14841	17.0
189.16359	17.0
191.17935	10.0
201.16357	27.8
203.17833	12.3
205.15630	9.2
215.17886	16.3
217.15964	15.8
219.17342	16.3
226.98454	10.5
247.16873	14.6
261.18433	13.8
325.28711	12.7
371.29401	11.1
395.29272	13.2
407.33136	32.8
453.33652	100.0
495.49628	11.6
512.34064	44.6
512.50385	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	513.3052
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03930	1.6
55.01860	1.2
55.05507	7.7
57.03431	5.7
57.07060	1.3
58.36784	0.7
61.02917	12.5
62.44610	0.8
65.03921	0.9
67.05495	19.0
69.03424	3.8
69.07058	8.0
70.68546	2.6
71.04974	1.4
73.02922	4.9
75.04466	0.8
79.05050	1.6
79.05484	24.2
79.56921	1.0
81.03400	2.8
81.07045	21.5
81.72711	0.7
83.04966	1.7
83.08601	3.5
85.02902	10.0
85.06530	1.2
87.04424	0.8
91.03937	5.7
91.05468	19.4
93.07031	33.8
95.04935	2.5
95.08598	17.5
97.02877	6.9
97.06513	1.7
97.10136	1.8
98.21031	1.3
99.04436	1.2
99.08064	2.4
105.07017	23.9
107.04926	1.1
107.08582	22.8
109.02860	0.9
109.06497	1.7
109.10151	6.0
117.07008	7.4
119.08568	22.1
121.06540	0.9
121.10134	16.9
123.08078	1.9
123.11684	3.0
127.03905	1.5
128.06252	1.4
129.05421	1.1
129.06985	5.1
130.07768	0.9
131.08557	10.2
132.08823	1.0
133.10115	23.3
135.11668	17.8
143.08577	5.5
145.10110	13.1
147.08005	1.8
147.11670	22.8
149.09605	2.4
149.13248	11.9
151.11119	1.0
155.08504	1.5
157.10092	5.9
159.11681	11.8
161.09572	1.3
161.13237	16.1
163.11165	1.8
163.14856	4.9
169.10133	1.2
171.11671	7.5
173.13211	8.4
175.11165	2.4
175.14795	8.7
177.12733	1.9
179.14296	1.3
183.11655	1.0
184.93385	0.8
185.07965	0.8
185.13222	7.7
187.14841	1.6
189.12672	1.7
197.13103	1.1
199.14815	5.2
199.44614	0.8
201.12689	0.9
201.16400	1.1
203.14307	1.8
207.13882	1.0
209.89040	0.9
213.16348	2.6
215.17937	1.4
217.19524	2.5
231.21034	2.5
241.19493	17.3
259.20544	39.7
261.22168	1.2
271.20486	1.6
275.20087	1.4
277.21634	6.2
301.21637	0.9
307.20514	0.9
323.22290	1.2
333.24142	7.3
343.22888	0.9
349.23578	2.6
351.25259	100.0
352.25613	1.5
357.23907	0.8
363.25256	1.7
367.22800	2.1
375.25360	2.2
385.23517	1.5
417.26236	1.6
429.26355	1.5
441.26456	4.9
459.27319	3.2
477.28308	2.7
495.29456	3.1
513.30597	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32362	1.9
55.01852	5.3
55.05498	8.4
57.03411	7.5
57.07064	3.0
61.02692	1.5
61.02923	15.2
67.05495	31.0
69.03410	8.3
69.07047	9.2
71.04957	3.8
73.02888	5.6
79.05480	34.5
80.68638	1.7
81.03407	4.0
81.07039	30.3
82.07355	2.1
83.05005	3.4
83.08595	5.1
85.02895	14.6
91.03952	7.1
91.05473	31.9
93.07024	40.2
93.07547	3.7
93.20500	1.9
95.04949	6.5
95.08591	22.1
97.02882	14.5
97.06498	3.2
99.08041	2.9
105.07014	37.1
106.07354	2.5
106.34875	1.8
107.08573	21.4
109.06490	3.8
109.10136	12.0
111.08064	2.4
117.06992	9.4
119.08561	30.5
121.10132	20.3
123.08045	1.9
123.11693	2.7
127.03897	4.0
129.06963	8.2
131.08540	16.8
133.10118	28.9
135.08017	2.6
135.11668	22.0
141.06950	2.0
142.07776	2.0
143.08525	7.2
145.10103	19.2
147.11665	29.5
149.09596	2.7
149.13214	14.0
151.68607	1.8
155.08612	2.8
157.10078	8.7
159.11664	18.0
161.09627	2.0
161.13228	20.0
163.11189	3.4
163.14848	6.0
169.10051	6.4
169.11363	1.9
171.11679	11.3
173.13243	10.0
175.11086	2.1
175.14851	11.6
177.12743	2.3
183.11690	5.6
185.13214	8.6
187.14720	5.6
199.14787	5.3
213.16351	3.8
222.70976	1.8
231.17317	2.4
231.21103	4.5
241.19443	21.7
259.20551	58.9
261.22037	2.1
271.20551	3.7
275.20010	3.3
277.21231	1.8
283.20319	2.0
301.21692	2.6
349.23853	4.5
351.25235	100.0
363.25204	3.7
367.22446	4.2
375.25134	2.9
385.23615	4.1
403.24741	6.0
417.26709	2.4
421.25577	5.9
437.30661	10.3
441.26068	5.2
459.27533	4.9
477.28491	4.4
495.29346	8.1
513.30273	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	513.3051
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03933	1.0
55.01853	0.8
55.05296	0.7
55.05504	6.9
57.03420	3.1
57.07058	1.5
61.02916	8.7
65.03923	0.6
67.05494	15.9
69.03422	3.0
69.07054	7.3
69.48766	6.2
71.04980	1.6
73.02908	4.3
79.05482	21.8
81.03394	2.6
81.07044	21.5
83.04956	1.6
83.08607	3.8
85.02885	7.9
85.06508	1.9
85.10194	0.7
91.03940	4.1
91.05466	18.0
93.07027	29.3
95.04955	3.3
95.08588	15.7
97.02869	4.8
97.06518	1.5
97.10131	1.4
99.04457	1.2
99.08066	2.3
105.07014	20.3
107.08575	21.5
109.02861	0.6
109.06487	1.2
109.10148	6.7
111.08050	0.9
117.06988	5.2
119.08564	20.8
121.06469	1.0
121.10126	16.1
123.08018	1.5
123.11677	1.8
125.09603	1.0
126.29659	0.6
127.03891	2.0
128.06218	1.2
129.05475	1.1
129.06975	5.2
131.08551	9.9
133.10107	18.4
135.08003	1.2
135.11670	15.6
139.11098	0.7
141.06923	0.9
143.08557	4.0
145.06519	1.1
145.10095	9.7
147.11659	16.9
149.09550	1.6
149.13235	10.6
151.11163	0.7
155.08536	1.0
157.10098	5.0
159.11690	8.9
161.09613	1.0
161.13228	14.4
163.11156	1.4
163.14777	3.7
167.08615	0.7
169.10089	1.8
171.11691	5.9
173.13246	6.4
175.11111	1.1
175.14796	10.3
177.12659	1.0
183.11664	2.0
185.09561	0.8
185.13237	6.7
187.11147	0.9
187.14786	2.5
189.12761	1.5
189.16360	0.8
199.14754	2.9
203.14288	1.5
209.13297	0.9
213.16353	1.7
215.17786	1.1
217.15804	1.1
217.19536	1.9
221.15396	1.0
231.17502	1.5
231.21053	2.8
239.14168	0.7
241.19455	15.1
243.21181	0.7
257.19025	1.4
259.20538	37.4
271.20557	1.2
275.19907	0.7
277.21552	6.3
285.22137	0.8
301.21585	1.2
325.21616	0.7
333.24188	6.6
337.21484	0.8
349.23633	2.3
351.25241	100.0
352.25443	1.4
363.25290	1.7
367.22595	1.2
375.25290	2.3
385.23694	0.8
403.24689	1.0
405.26529	0.8
417.26489	1.7
421.25763	0.6
429.26288	1.2
441.26260	4.8
456.49640	0.7
459.27371	2.7
474.48065	0.6
477.28024	3.0
495.16660	1.0
495.29544	4.5
513.16333	1.0
513.31616	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23033	1.4
55.01856	2.4
55.05509	9.0
57.03428	5.8
57.07049	1.9
61.02915	13.6
62.84929	1.8
65.03905	1.6
67.05501	21.8
69.03429	5.5
69.07061	7.8
69.33545	2.9
69.33955	13.6
70.32391	1.5
71.04980	2.6
73.02900	5.3
79.05481	28.2
80.05820	1.5
80.79631	1.4
81.03390	4.8
81.07052	27.2
83.04991	2.8
83.08604	4.2
85.02887	15.9
85.06538	2.0
91.03956	7.7
91.05466	30.5
91.16743	1.3
93.07037	34.3
95.04960	6.2
95.08595	19.9
97.02879	9.5
97.06525	3.1
97.10144	1.9
99.04436	2.3
105.07020	31.5
107.08578	21.0
109.06509	3.8
109.10143	6.5
111.08080	2.2
112.16119	1.5
117.07001	5.8
119.08582	27.9
121.10120	17.8
123.08047	3.8
123.11728	2.6
127.03802	2.2
129.06993	7.9
131.08546	17.2
133.10117	25.0
135.08017	2.8
135.11694	19.1
141.06963	1.8
143.08580	8.6
145.04968	2.0
145.10095	17.2
147.08029	1.7
147.11671	21.7
149.09621	2.7
149.13217	11.0
151.11134	1.6
155.08553	2.8
157.06516	1.8
157.10103	6.1
159.11688	16.9
161.13239	20.5
163.11230	2.6
163.14799	4.8
167.08594	2.1
169.10127	1.7
171.11682	11.0
173.13264	9.8
175.11224	2.3
175.14821	10.4
181.10222	1.8
183.11742	3.3
185.13268	8.7
187.11131	1.6
187.14827	3.5
193.12224	2.2
195.11604	2.0
197.13277	3.3
199.14799	5.5
200.34624	1.6
203.14221	1.9
213.16487	2.5
217.15820	2.8
217.19368	1.8
223.14668	2.3
231.21086	3.9
241.19485	19.3
259.20560	42.5
271.20526	2.1
275.20044	2.1
277.21548	3.1
285.10287	1.7
334.02451	1.6
349.23669	5.0
351.25269	100.0
363.25244	3.3
367.22629	3.0
386.67294	1.5
417.26437	3.2
441.26248	6.7
450.70590	1.7
459.27155	5.3
477.28329	5.0
495.29346	7.8
513.31415	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.321
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
53.03926	0.7
54.91326	0.3
55.01858	0.5
55.05507	1.7
61.02910	0.5
66.78948	0.4
67.05496	5.3
69.03413	1.4
69.07056	1.9
69.07359	0.3
69.98779	0.4
71.04960	0.6
71.37162	0.6
79.05476	4.0
81.03385	1.1
81.07044	6.9
83.04962	0.7
83.08600	1.5
85.02891	0.9
91.05467	5.8
93.07024	6.4
95.04934	1.5
95.08590	8.4
97.02881	2.6
97.06491	0.8
97.10169	0.7
99.04411	0.5
105.07018	7.5
107.04924	1.3
107.08581	7.8
109.02805	0.4
109.06511	1.4
109.10143	4.7
111.04404	0.6
111.08041	0.8
115.05415	0.6
117.07022	2.2
119.04913	0.5
119.08566	9.0
121.06489	2.8
121.10124	4.0
123.08028	1.1
123.11688	1.1
125.09628	0.4
127.03913	0.7
128.06203	0.9
129.05449	0.5
129.06992	1.9
131.08542	5.1
133.06470	6.1
133.10112	6.6
135.08034	33.9
135.11639	2.1
137.05946	0.7
137.09547	1.1
139.03845	0.4
141.06958	0.6
142.07753	0.7
143.08562	3.7
144.09218	0.4
145.06467	1.2
145.10095	5.3
146.07256	0.5
147.08032	5.7
147.11668	3.2
149.09612	3.4
149.13237	1.4
151.11156	1.4
155.08522	1.4
156.09312	1.4
157.10114	4.0
158.10912	0.4
159.08034	2.4
159.11659	4.3
160.08817	0.7
161.09593	8.1
161.13225	2.0
163.07486	0.4
163.11156	1.0
163.14781	0.7
167.08636	0.5
169.10091	1.9
170.10872	0.7
171.08017	0.7
171.11673	3.8
172.08830	0.5
173.09573	2.8
173.13223	3.2
175.11160	7.4
175.14795	1.3
177.09033	1.0
177.12679	1.2
181.10075	0.6
183.11667	1.7
185.09570	0.7
185.13188	2.1
187.11130	1.8
187.14804	1.4
189.09119	0.5
189.12750	3.4
189.16324	1.3
191.14311	0.5
193.12228	0.5
195.11656	1.0
197.13264	1.1
199.11110	1.0
199.14781	2.1
201.12712	2.0
201.16342	0.9
203.14267	13.5
203.17700	0.5
205.15837	0.6
207.11646	0.5
209.09377	0.3
209.13249	0.9
211.11159	0.4
211.14832	1.1
213.12727	0.7
213.16411	0.6
215.14359	1.8
217.15833	7.9
219.13814	1.4
223.14775	0.8
225.12679	0.7
225.16362	0.5
227.14290	1.4
227.17770	0.5
229.15967	0.7
233.15276	0.5
237.16333	0.6
241.15800	0.5
241.19547	0.5
243.17432	0.7
245.15382	1.3
251.18002	0.4
253.19553	0.3
259.20572	0.6
267.17484	0.4
269.19052	0.5
271.20676	0.4
307.20505	0.4
333.24185	0.4
335.20184	0.5
351.25354	1.4
405.27737	0.6
417.27655	0.5
423.28818	14.8
435.28745	1.2
453.29617	0.9
495.30777	2.1
513.32013	100.0
514.32324	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.5
55.01874	0.4
55.05515	0.8
57.03427	0.9
67.05484	1.9
69.03392	0.9
69.07066	2.5
69.45751	2.3
69.46161	1.2
70.06571	1.5
71.04984	0.9
73.05981	0.4
79.05454	1.9
81.03411	12.6
81.07049	1.7
83.05006	0.7
83.08595	3.2
85.02890	1.6
86.09703	2.2
91.05475	2.3
93.07021	1.4
95.04960	4.6
95.08583	2.6
97.02863	0.7
97.06536	0.4
98.21096	1.8
98.97603	0.4
105.07014	1.5
107.04926	0.8
107.08577	0.5
108.04467	1.9
109.06515	0.8
109.10175	0.6
111.08069	1.3
117.06998	0.5
119.04929	0.4
119.08573	2.0
121.06521	0.6
121.10143	0.7
121.70711	0.4
122.06033	0.6
123.04393	0.5
127.03812	0.6
129.06993	1.5
131.08559	1.5
133.06447	0.5
133.10104	0.9
137.05951	0.8
137.09624	0.8
138.05469	0.6
138.09094	0.6
140.07045	3.9
145.10188	0.5
146.06009	1.5
147.04378	0.6
147.11668	1.1
148.03783	0.4
148.07564	0.4
149.09599	0.8
153.12679	0.5
157.10030	1.9
161.06039	0.6
164.10683	3.7
166.04994	0.7
168.06563	3.6
174.05486	1.0
175.11267	2.1
192.10172	4.8
193.12225	10.9
194.86908	0.4
196.11200	0.4
198.09232	0.5
199.18106	0.7
204.06534	0.7
206.08163	1.5
207.13753	1.0
211.08630	4.2
211.13199	0.9
212.09331	1.1
213.10133	0.9
222.09111	0.7
223.08626	0.7
223.12277	0.4
224.10887	0.8
225.10271	3.8
226.10922	0.8
227.08092	0.5
239.08127	0.6
239.11787	5.7
240.08907	1.2
241.09703	1.3
241.13271	0.7
247.10733	0.4
249.10162	0.9
250.08623	1.0
251.08208	1.1
252.09045	1.5
253.09648	4.1
254.10442	1.0
255.11336	0.6
256.12128	0.5
257.12985	0.8
263.10297	1.1
267.08334	0.7
267.11292	9.7
267.15796	6.4
268.09409	0.5
268.12042	0.6
269.12775	1.2
281.09131	0.8
282.05099	0.4
283.10754	1.0
284.11523	0.5
285.12192	1.4
285.16934	19.6
287.10165	0.5
291.09818	0.7
295.10715	4.9
297.07950	0.5
297.12262	0.6
299.10379	0.6
301.11868	0.5
309.16998	1.3
313.11780	35.9
314.12009	0.8
323.12506	5.6
341.11353	5.2
342.12149	0.4
351.17908	0.6
355.12897	2.6
359.12436	1.3
363.17477	0.6
373.13907	100.0
374.14258	2.5
375.11868	0.8
454.20093	1.0
464.18271	0.6
482.19275	6.7
496.20386	1.4
514.10315	0.5
514.21960	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	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39339	0.7
53.14897	0.8
55.01875	0.7
59.79924	0.6
67.05515	0.7
67.54091	0.7
69.03399	0.9
69.07057	12.0
70.06574	1.1
71.04977	0.9
71.61800	1.3
73.01637	0.7
79.05478	1.7
81.07053	1.2
85.02919	1.0
86.09684	1.1
91.05473	1.6
92.72139	0.6
95.04977	0.8
95.08573	1.4
97.02883	1.1
107.04916	0.9
108.08125	2.0
109.02812	0.7
109.06508	2.8
122.06079	0.9
122.09642	0.9
124.07604	0.8
126.09151	0.9
131.08575	0.7
133.10098	0.9
135.04401	0.7
136.07605	0.9
140.07043	23.6
146.05984	1.3
148.07510	0.8
154.08575	3.6
164.10698	2.0
168.06528	1.2
174.05469	1.2
174.09160	1.3
176.07251	1.0
192.10210	3.0
199.08669	2.5
200.09428	0.9
204.06665	0.8
206.08124	1.1
208.86670	0.7
211.08604	3.7
212.09348	1.6
213.10324	3.7
214.11050	1.2
215.08092	1.5
217.09840	0.8
225.06804	0.8
225.10231	5.0
226.07295	1.0
226.11011	2.1
227.08145	3.9
227.11801	1.9
228.08878	0.9
237.10196	1.2
239.08072	1.7
239.11732	5.0
240.08972	1.4
241.09669	6.5
241.13490	1.6
242.10518	2.4
243.11038	1.0
245.12878	0.8
253.09636	5.9
254.10539	3.0
255.11261	4.2
263.10278	1.2
265.09818	1.1
267.11237	8.4
268.12057	2.5
269.09305	2.3
269.12952	2.2
270.59457	0.8
271.10757	2.2
273.08850	0.8
273.12292	1.1
281.09186	2.6
283.10696	5.6
283.13513	0.8
285.12338	3.7
287.13809	1.3
293.13004	0.9
295.10712	8.3
297.12265	3.9
299.10205	4.2
299.13403	0.8
300.11414	1.2
301.11700	3.3
301.19699	0.9
309.12366	0.9
311.10406	1.2
313.11758	47.7
314.12476	2.3
315.13290	6.8
316.13654	0.8
323.12888	1.2
324.11032	1.4
329.11322	2.1
331.13123	1.0
337.15485	0.9
341.11267	18.2
342.12024	5.2
343.12961	1.5
345.04620	4.3
345.14627	2.2
355.12735	1.3
356.13608	0.8
359.12515	0.9
361.13904	0.9
363.05698	1.5
366.14493	1.2
372.11728	1.0
373.13922	14.8
374.14554	1.3
375.15308	2.3
381.14453	1.5
389.13705	1.2
391.16586	1.2
409.17358	2.9
418.17966	1.0
419.16055	1.2
420.19168	1.7
422.16721	1.1
436.18759	4.8
437.17084	2.3
438.20273	5.5
440.18192	2.0
454.19650	34.2
464.18280	5.9
475.29578	0.8
482.19177	47.1
496.20840	10.3
514.21808	100.0
515.21997	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	514.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01855	0.9
57.03420	0.7
65.03934	0.6
67.05486	2.7
69.03413	1.1
69.07061	16.6
69.69637	2.3
69.70063	2.8
70.01231	0.6
70.06582	1.2
79.05485	1.3
81.03401	0.8
81.07040	2.4
83.04974	0.7
85.02898	2.1
86.09683	1.5
91.05464	1.6
94.06582	1.0
95.08596	3.7
97.06537	0.8
99.04431	0.9
102.11504	0.8
103.00534	0.7
105.07015	1.0
107.04955	1.3
108.04474	1.3
108.08089	2.2
108.19872	0.7
109.06529	4.5
110.06036	0.7
120.08092	0.8
122.06031	1.6
123.04406	1.1
124.07650	0.9
127.03922	0.8
127.70919	0.7
133.10202	0.8
135.04431	1.8
136.07611	1.6
137.05995	1.2
138.05522	1.3
139.03918	1.1
140.07050	30.8
146.06050	1.9
147.04424	1.1
148.07570	1.1
152.07037	1.2
154.08618	3.2
161.06071	0.7
162.09111	1.3
164.10667	5.0
166.04939	1.1
174.05522	1.8
174.09105	1.5
176.96652	0.7
181.14429	0.6
192.10175	8.6
199.08626	4.0
200.09474	0.8
203.03389	2.0
204.06529	1.9
206.08246	0.9
209.10818	0.8
211.08618	6.6
212.09392	3.4
213.10173	5.2
214.10953	1.0
215.08205	0.8
215.11700	1.0
223.08453	0.7
223.46407	0.7
225.06712	0.8
225.10193	7.5
226.07382	2.4
226.10838	1.5
227.08107	6.4
227.11740	3.6
229.09703	1.2
237.10262	1.0
239.08163	2.0
239.11763	7.8
240.08919	2.6
240.12587	1.1
241.09735	7.0
241.13243	1.7
242.10509	3.0
243.11192	1.6
249.10251	1.0
251.08221	0.8
251.11800	0.7
252.09125	1.3
253.09695	9.1
254.10457	4.4
255.11305	7.1
256.11966	0.8
257.13022	0.8
263.10342	1.4
265.09772	1.3
266.10602	0.9
267.11246	12.8
267.15787	0.8
268.09409	1.0
268.12079	2.9
269.09216	2.4
269.12872	2.6
271.10675	1.9
279.11456	0.9
281.09259	3.6
281.12854	1.2
282.09998	1.3
283.10757	7.9
284.11664	1.5
285.12344	5.9
287.10269	1.1
287.13535	0.9
291.09720	1.7
295.10736	12.0
296.11755	1.0
297.12216	6.9
299.10275	6.0
299.13492	0.9
300.11261	2.1
301.11786	4.0
307.14282	0.8
309.12186	1.0
313.11780	73.2
314.12601	4.6
315.13348	8.5
321.12506	1.2
323.12668	6.1
324.10983	3.1
325.12045	1.2
329.11414	1.4
331.12961	1.4
335.13727	1.0
335.17285	0.8
337.07178	1.1
341.11252	22.4
342.12128	5.9
343.12894	2.1
345.14511	5.4
352.16898	0.8
355.13046	0.8
356.13361	1.1
359.12482	2.1
361.13943	1.7
365.14459	0.8
366.14432	1.2
373.13925	21.7
374.14435	1.3
375.15384	3.0
380.15970	1.2
381.14233	1.3
387.11734	0.8
391.16599	1.9
408.19507	1.5
409.17947	4.4
419.16187	1.3
420.19196	1.9
436.18628	4.4
437.17117	4.6
438.20248	5.5
440.18042	5.1
454.19678	45.1
455.19998	1.3
459.39371	0.8
464.18161	8.3
465.17850	0.9
482.19193	79.7
483.19629	2.4
496.20706	16.0
514.21814	100.0
515.21973	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01867	1.5
55.05510	4.4
57.03426	5.1
61.02923	1.4
62.42695	1.2
63.21539	1.3
64.69353	1.2
67.05490	8.6
69.03426	3.6
69.07077	3.2
69.42551	14.2
70.06590	1.7
71.05003	1.9
79.05485	8.8
81.03413	83.7
81.07070	10.1
81.21458	1.3
83.04995	3.7
83.08616	20.3
85.02881	3.9
86.09708	3.1
91.05467	8.6
93.07037	6.1
95.04958	23.6
95.08609	7.9
97.02891	1.6
97.10155	2.4
98.90373	1.5
105.07015	8.5
107.04946	5.9
107.07415	1.3
107.08588	3.2
109.06481	2.7
111.04465	1.5
111.08073	11.5
115.05476	1.7
119.08569	8.3
119.74943	1.3
121.06448	1.7
121.10119	5.1
123.08027	1.7
129.06952	7.1
131.08559	5.0
133.06517	2.2
133.10126	3.6
140.07082	2.3
145.10130	1.5
146.24799	1.7
147.08046	3.7
147.11681	4.2
149.09644	3.8
149.76512	1.6
157.10069	9.8
161.12555	1.5
163.11327	1.6
164.10657	8.4
165.12744	1.3
168.06584	2.9
175.11182	13.6
192.10179	9.1
193.12222	74.2
211.08690	2.4
211.13242	6.2
225.10248	2.7
227.08203	2.0
228.55400	1.7
239.11874	2.4
249.14836	1.4
252.09148	1.8
253.09727	2.2
263.10199	1.9
267.11246	6.3
267.15878	51.0
285.16946	100.0
291.09805	2.1
295.10590	3.3
297.22577	1.4
309.16949	13.9
313.11725	20.6
323.12451	15.5
341.11316	6.9
351.18097	1.9
359.12231	2.9
363.18042	3.4
373.13892	54.7
374.14413	3.4
375.12027	1.5
375.17926	2.9
393.19025	2.5
411.20166	2.2
429.20975	6.7
482.18951	4.6
494.79337	1.8
496.20865	2.1
514.22235	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	515.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	33.0
69.03421	3.7
69.98515	4.0
69.98917	6.6
73.02889	1.5
84.96031	10.4
85.02873	6.4
97.02904	4.4
98.20773	1.9
98.97575	53.0
100.99140	13.1
101.00874	1.9
110.64699	1.5
110.97562	18.7
112.10149	1.6
116.98607	34.8
119.00169	5.6
119.01884	4.6
127.02478	1.9
128.97664	2.1
128.98593	29.8
131.00168	7.9
134.99658	12.0
140.98578	7.4
143.00166	11.1
143.01897	3.5
144.98051	6.1
145.01627	3.4
145.03436	3.8
145.04935	2.0
146.99634	26.7
149.01184	22.6
152.98573	4.0
154.96507	2.3
155.01923	2.8
157.03552	2.5
158.99640	26.3
161.01205	14.2
161.02895	5.9
162.99139	9.1
163.02647	2.9
165.00696	8.3
167.02283	9.4
170.99646	33.6
172.97552	10.7
173.01282	4.1
173.02908	9.0
175.02747	5.8
177.00705	22.8
179.02228	4.3
182.99623	10.5
183.01680	2.9
185.02943	6.6
185.04504	2.0
187.02850	4.1
187.04543	2.1
189.00674	35.8
189.04291	2.4
190.98616	34.3
191.02240	5.1
201.00687	49.7
203.02257	3.0
203.04007	3.0
205.03860	1.7
207.01729	5.9
208.99678	48.0
209.02913	2.6
213.00682	2.9
214.98582	16.2
215.03903	3.1
217.03746	3.4
219.01741	61.6
224.02296	1.8
227.00720	5.4
227.04024	3.0
231.01796	4.4
232.06078	1.9
232.99670	39.6
233.03241	4.8
233.05147	3.8
237.02821	39.2
242.03453	2.0
243.01727	15.1
244.99527	2.4
245.05122	18.7
246.05301	1.7
247.04820	7.4
251.00745	25.9
251.03477	2.4
255.03793	3.9
261.02811	55.9
261.05603	3.9
263.00708	10.6
265.57523	2.0
273.02798	5.5
274.02237	2.1
275.06055	4.2
279.03839	34.3
289.05969	1.8
291.03842	11.6
293.01727	12.5
293.05392	10.7
297.04965	2.2
299.00757	2.8
302.05527	2.3
303.03918	2.0
305.07220	3.8
307.07025	6.4
309.04840	2.0
311.06479	9.3
317.01831	14.8
321.04883	22.9
333.04907	4.7
335.02795	30.9
335.06439	5.8
351.06073	8.5
353.03793	37.8
353.07678	7.9
365.09485	3.7
381.07071	10.8
395.08426	2.6
399.08148	18.1
431.75388	1.9
455.10666	23.8
479.07019	3.0
495.42697	1.7
497.07852	12.9
515.09015	100.0
544.35834	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.189
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
55.01876	0.4
55.05503	0.4
57.03397	0.4
57.47048	0.3
61.04033	1.1
67.05511	0.4
69.03408	0.7
69.07057	0.5
69.49331	2.3
70.06577	0.8
71.04975	0.5
71.08630	0.3
78.91349	0.3
79.05471	0.6
81.03440	0.3
81.07050	1.1
85.02892	1.3
86.09696	0.9
91.05468	0.7
93.07043	0.6
95.04961	0.5
95.08563	0.5
97.06548	0.5
99.08085	0.4
105.07039	0.9
107.08588	0.9
109.10162	0.4
119.08595	1.1
120.08092	0.6
121.06458	0.3
121.10123	0.7
123.04393	0.4
125.09466	0.3
127.03879	0.7
129.10167	0.3
131.08580	0.8
133.10120	0.9
135.08022	0.4
137.05980	0.4
139.03888	0.9
143.08556	0.5
145.10081	0.8
147.04379	0.3
147.11658	0.7
151.03877	0.3
152.53784	0.3
157.10126	0.4
159.11693	0.4
161.05908	0.6
161.09619	0.3
161.13208	0.4
163.11183	0.6
173.13206	0.6
174.15871	0.3
177.05460	0.6
183.05531	0.3
183.11700	0.5
185.13286	0.4
187.14835	0.3
191.10873	0.4
191.14330	0.4
201.12830	0.4
225.06557	0.7
267.07666	0.5
271.07224	0.6
275.19983	0.4
285.08542	0.3
295.07190	0.7
312.09842	0.6
313.08240	0.7
314.12027	0.5
343.15375	0.4
354.10779	0.9
356.17746	0.3
360.55185	0.3
365.13452	0.7
372.11789	3.3
383.14563	0.4
395.81586	0.3
400.11273	2.6
455.20197	0.4
483.19373	1.1
515.18811	100.0
516.19183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03936	3.4
55.01879	2.0
55.05503	18.3
57.03434	7.3
57.07049	4.7
61.02906	4.9
65.03929	3.8
67.05500	85.0
69.03413	6.1
69.07059	18.1
71.04980	2.0
71.08617	1.6
73.02908	3.2
74.56182	1.2
79.05055	2.6
79.05489	48.8
81.03410	3.6
81.07050	100.0
83.04978	3.2
83.08615	9.5
83.23624	1.6
85.02887	8.7
85.06522	4.7
91.03941	3.8
91.05470	31.3
93.07037	60.7
95.04968	8.6
95.08600	72.8
97.02887	7.0
97.06524	6.4
97.10155	4.7
99.04445	1.6
99.08086	3.7
101.02347	1.5
105.07020	25.2
107.08588	38.8
109.06503	4.9
109.10146	39.0
111.08024	1.9
111.11655	2.0
113.09670	2.2
117.07012	12.6
119.08572	23.2
121.06515	2.0
121.10134	31.5
123.08063	2.7
123.11693	19.8
127.03912	1.7
129.06975	3.5
131.08563	26.9
133.10118	20.7
135.08029	1.7
135.11684	28.8
137.06041	1.4
137.09586	2.3
137.13243	7.6
139.11113	1.8
141.06990	1.9
143.08574	3.4
145.10114	17.2
147.11681	13.6
149.09727	1.5
149.13251	19.2
151.11220	2.3
151.14781	1.4
152.23784	1.2
153.12746	1.5
155.08490	1.7
157.10098	3.0
159.11690	16.7
160.80116	1.3
161.13225	14.0
163.11136	2.1
163.14806	14.3
165.12833	2.5
169.10071	1.8
171.11653	3.5
173.13260	19.8
175.07533	1.6
175.14809	4.5
177.12737	3.3
177.16351	5.9
179.14238	1.5
183.11578	1.7
185.13249	2.0
187.14764	8.1
191.14281	3.2
201.16391	3.2
205.15790	2.5
225.47324	1.5
233.22678	2.4
243.18695	2.6
243.21054	23.9
259.20618	1.8
261.22128	77.4
269.17450	1.5
279.23138	5.8
301.21716	2.7
303.23187	3.7
317.24759	1.9
327.23318	1.6
335.25748	28.5
345.24268	2.8
351.22974	2.2
353.26895	19.2
369.24255	3.4
377.26855	2.7
387.25226	3.0
405.26373	1.8
419.27866	3.9
443.27960	1.8
461.28848	2.7
479.29797	3.8
497.31116	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01859	3.3
55.05507	17.0
56.96577	2.1
57.03415	7.5
57.07070	5.0
61.02908	4.5
65.03936	3.1
67.05501	80.5
69.03409	6.9
69.07063	13.9
71.04991	4.3
71.63939	2.5
71.64310	3.2
79.05061	3.4
79.05489	53.3
81.03409	5.7
81.06572	4.7
81.07049	90.1
83.04968	5.1
83.08609	9.3
85.02880	7.1
85.06526	3.1
91.03952	2.0
91.05479	32.9
93.07037	68.1
95.04948	8.8
95.08598	75.5
97.02887	4.1
97.06488	5.8
97.10139	4.1
99.08093	3.9
105.07019	31.9
107.08583	42.5
109.06490	5.2
109.10147	39.8
111.08031	5.6
113.09636	2.2
117.07012	16.3
119.08563	25.9
121.06470	2.5
121.10135	41.8
123.08018	4.6
123.11688	19.1
125.09583	3.7
129.06992	4.3
131.08563	29.3
133.10120	22.8
135.08006	3.0
135.11668	29.7
137.09628	2.6
137.13214	4.5
143.08531	4.8
145.10107	21.6
147.11693	18.8
149.01170	4.0
149.09569	2.3
149.13245	26.1
155.08551	3.0
159.11687	19.3
161.13229	12.6
163.14783	17.9
169.10143	2.3
171.11717	4.4
173.13223	25.4
175.14827	4.6
177.12732	3.7
177.16383	5.7
179.14200	2.7
179.21060	2.0
181.10194	3.0
183.11775	3.8
185.13116	3.0
187.14854	11.2
189.16302	2.5
191.14328	2.6
199.14815	2.9
201.16342	4.6
233.22681	5.7
243.21013	24.9
261.22119	100.0
263.23352	2.1
277.64014	2.9
278.14035	7.3
278.64209	2.7
279.13223	4.0
301.21414	3.2
303.23010	2.6
309.45755	1.9
335.25598	14.2
345.24393	3.6
353.26892	22.9
369.24194	4.5
377.26770	3.6
405.26389	2.8
461.28683	4.6
479.29379	4.6
497.30826	4.4
515.37488	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	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01860	6.0
55.02686	3.5
55.05500	30.1
57.03428	12.6
57.05738	2.9
57.07073	7.1
65.03925	4.1
67.05496	100.0
69.03423	17.2
69.07068	25.2
71.04979	6.1
71.06644	10.5
79.05487	57.4
81.03394	15.4
81.07046	97.6
83.04977	6.0
83.08606	14.5
85.02885	13.0
85.06581	3.7
91.03955	4.8
91.05468	44.0
93.07029	82.2
95.04964	12.6
95.08601	78.8
97.02876	11.6
97.06533	10.8
97.10177	5.5
99.08106	6.9
103.04022	3.7
105.07020	41.4
107.04932	5.1
107.08579	51.0
109.06515	8.0
109.10139	48.1
111.08081	7.3
117.07022	20.9
119.08553	42.1
121.06488	3.6
121.10123	39.3
122.48426	3.4
123.11689	18.6
127.03883	4.4
129.06978	11.9
131.08559	43.1
133.10110	26.7
135.08026	6.0
135.11671	23.8
137.09637	4.2
137.13269	6.8
138.22870	3.4
139.11206	3.6
142.88617	3.5
143.08563	10.5
145.10114	32.8
147.11679	21.1
149.09622	5.2
149.13248	19.3
151.11192	6.1
155.08574	4.2
157.10074	11.6
159.11647	23.7
161.09602	6.1
161.13260	17.9
163.11101	3.9
163.14725	16.7
169.10065	7.1
171.11722	6.9
173.13232	27.2
175.11064	5.1
175.14809	6.2
179.14233	4.6
183.08142	4.2
183.11668	6.3
185.13222	4.3
187.11263	4.2
187.14812	12.4
191.14302	5.9
195.11772	4.3
199.14842	5.2
201.16435	4.8
233.22609	6.9
243.21054	24.0
259.20496	4.4
261.22116	82.3
301.21429	6.4
303.23108	7.2
317.24664	4.7
327.23145	5.1
335.25629	6.3
345.24213	6.6
353.26855	36.2
369.24155	15.0
377.27069	5.7
387.25305	7.1
405.26129	9.3
419.27805	11.7
443.27640	4.2
461.28864	10.9
479.29922	7.1
497.31113	17.6
515.36975	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59544	2.4
53.03925	3.5
55.01859	4.8
55.05506	22.1
57.03420	10.5
57.07065	2.6
61.02909	6.1
65.03904	2.7
67.05496	80.3
69.03423	15.0
69.07063	21.6
70.46827	4.9
70.47248	8.7
71.01331	2.7
71.04988	4.3
72.28360	2.5
73.02900	2.9
76.23602	2.3
79.05480	44.5
81.03400	12.3
81.07047	100.0
82.37963	2.6
83.04974	5.7
83.08610	11.4
85.02905	10.0
85.06514	2.7
91.05466	35.4
91.63074	2.5
93.07038	56.1
95.01366	2.6
95.04966	10.3
95.08591	71.6
97.02885	7.4
97.06506	6.6
97.10168	6.1
97.41467	2.8
98.20991	4.0
99.04440	4.9
99.08085	3.0
103.03942	5.1
105.07021	32.5
107.04962	4.0
107.08578	34.8
109.06509	11.4
109.10139	35.0
111.08043	4.5
117.07001	11.6
119.08569	31.8
121.06492	6.9
121.10126	38.6
123.08089	5.6
123.11700	12.7
125.09620	5.0
127.03899	3.1
127.11164	2.5
129.06999	7.6
131.08559	32.7
133.06442	2.8
133.10089	23.8
135.07996	3.5
135.11671	27.4
137.09596	7.1
137.13219	5.2
141.07089	2.7
143.08560	9.4
145.06456	3.1
145.10101	23.8
147.11671	16.0
149.09657	4.0
149.13223	20.1
151.11172	4.3
157.10101	5.7
158.09079	3.0
159.11688	19.1
159.36348	2.3
161.09581	3.0
161.13223	13.5
163.11206	4.5
163.14838	13.6
165.12788	4.2
165.82381	2.3
169.10223	2.9
171.11679	6.3
173.13245	14.5
175.11215	2.5
175.14810	4.6
175.60590	2.4
177.12807	3.8
179.14220	3.0
185.13246	3.9
187.11055	4.0
187.14848	10.5
189.12740	2.5
199.14847	3.3
201.16443	4.8
212.13620	2.9
243.21077	18.6
247.17053	3.0
261.22119	56.3
275.23419	3.1
279.23108	6.4
285.22079	3.4
301.21722	3.7
303.23331	7.6
335.25790	16.2
345.23969	6.5
353.26785	30.6
359.16599	5.5
359.66608	6.0
360.16254	4.7
369.24109	9.5
377.26636	3.1
387.25055	4.5
405.26147	6.7
419.27863	9.4
443.28049	6.6
461.29016	5.8
477.39764	2.8
479.29733	6.5
497.30966	16.5
515.26312	11.5
539.96564	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	515.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
53.38691	1.2
55.01857	2.2
55.05504	14.2
57.03425	4.7
57.07063	2.0
67.05501	41.9
69.03429	2.2
69.07060	11.7
71.04983	4.0
71.61917	2.6
71.89529	1.6
79.05492	32.0
81.03408	1.7
81.07054	33.5
83.04957	6.9
83.08615	5.7
84.16445	1.3
85.06533	3.3
91.05477	23.1
93.07035	43.2
95.04951	7.0
95.08603	19.2
95.09170	2.3
97.06524	6.3
97.10160	6.2
105.07014	17.8
107.08587	24.6
109.06485	1.9
109.10130	6.9
111.08082	3.1
115.05464	1.3
116.40479	1.5
116.94782	1.4
117.07008	7.0
119.08571	13.0
121.10132	15.3
123.11716	1.7
125.09653	1.5
129.07004	3.3
131.08565	11.4
133.10100	10.5
135.11685	25.8
143.08571	5.9
145.10123	12.6
147.11687	5.7
149.13263	2.8
150.69421	1.4
153.12769	1.8
157.10098	3.7
159.11662	7.3
161.13309	3.2
163.11205	4.3
165.12685	1.5
169.10136	2.2
171.11700	3.9
173.13239	6.3
175.14822	2.5
181.10297	1.4
181.12164	7.1
182.38269	1.4
183.11763	2.9
185.13280	2.0
187.14835	2.6
195.11693	1.6
197.13188	1.7
211.14790	1.7
213.16534	1.6
261.22113	3.6
262.64853	1.5
299.23779	1.9
395.90704	1.6
405.32010	2.2
423.32690	5.8
441.33499	3.3
460.88058	1.4
471.34006	1.5
489.03940	1.4
497.36276	4.2
515.37347	100.0
516.37701	2.9
518.68597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3727
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
53.03914	2.6
55.05493	11.0
57.07058	2.9
67.05492	20.9
69.03417	2.8
69.07059	15.0
71.62292	3.0
79.05494	13.9
81.07043	29.1
83.04990	3.8
83.08614	5.2
85.06516	3.6
86.09689	4.4
91.05468	24.6
93.07019	30.5
95.04967	7.1
95.08592	57.5
97.02902	3.6
97.06524	7.3
97.10152	2.8
103.05440	2.9
105.07026	35.7
107.08582	51.1
109.10157	24.4
111.08074	3.0
112.07594	2.3
114.71613	2.3
117.06991	9.8
119.08571	46.1
121.06461	6.0
121.10115	33.5
123.08003	3.6
123.11697	13.1
125.00012	4.1
125.09583	3.1
129.06973	8.3
131.08559	24.2
133.10110	40.3
135.11670	26.7
137.13223	4.3
139.03874	3.8
142.07745	3.0
143.08562	17.3
145.10095	36.8
147.04375	3.9
147.07985	4.5
147.11690	18.1
149.09621	5.0
149.13242	10.9
150.40132	2.9
153.01720	2.9
154.07774	4.3
155.08543	9.3
156.09306	7.9
157.10120	25.6
158.10951	3.5
159.08063	4.6
159.11671	26.0
161.09612	5.5
161.13231	14.6
163.11089	5.2
163.14796	9.9
167.08508	4.6
169.10091	26.5
170.10846	5.7
171.11708	25.7
173.09604	6.3
173.13229	21.5
175.11130	6.8
175.14772	14.8
177.12709	5.9
177.16331	4.1
182.10890	7.6
183.11653	12.9
184.07317	21.8
185.13219	19.2
187.11160	4.2
187.14795	23.0
189.12756	4.0
189.16368	16.2
191.17949	18.3
195.11728	4.5
197.13245	22.7
199.14783	16.0
201.12704	4.9
201.16359	11.3
203.14319	6.3
203.17973	7.6
205.15852	4.3
207.17416	5.0
209.13231	6.9
211.14803	22.1
213.12724	3.4
213.16354	8.3
215.14255	13.9
215.17870	5.8
217.15880	8.4
217.19437	3.5
219.17448	2.9
223.14748	5.2
225.16396	6.8
227.14294	3.8
227.17859	4.7
229.15877	29.9
229.19443	6.2
237.16373	3.9
239.18034	6.2
243.17349	3.7
251.18030	4.0
253.19229	3.2
257.19016	4.0
261.04111	2.6
265.19568	8.5
269.18945	8.8
279.21143	3.4
283.20465	5.5
285.21899	4.2
297.22195	4.2
307.23941	2.7
319.04492	3.8
329.24713	10.6
343.26215	3.1
392.93451	2.5
401.31851	3.5
407.33136	11.7
409.34534	6.4
419.33011	45.2
437.34119	100.0
455.35248	16.0
479.35233	6.9
485.31659	2.8
496.52640	2.8
497.28955	6.1
497.36166	79.9
515.29541	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77654	1.1
53.03930	2.7
55.01856	2.6
55.05503	12.2
57.03424	4.8
57.07073	2.7
58.37847	1.1
59.05001	1.2
65.03944	2.1
67.05497	41.0
69.07063	11.7
69.66599	9.8
71.04987	2.8
77.86033	1.2
79.05485	39.4
81.03425	2.9
81.07049	31.5
83.04977	6.4
83.08611	5.0
85.06537	3.0
91.05470	24.2
92.44358	1.2
93.07034	46.8
95.04949	6.3
95.08595	20.4
97.06539	6.8
97.10149	6.8
99.08074	1.3
105.07022	14.9
107.08578	28.6
108.75596	1.2
109.06538	1.7
109.10152	8.4
111.08067	1.8
117.06984	7.5
119.08598	11.5
121.10127	12.6
123.11703	1.8
125.09733	1.5
129.06967	2.4
131.08559	11.7
133.10115	8.8
135.11673	29.5
136.62177	1.3
140.13278	1.1
141.06937	1.4
142.93333	1.2
143.08607	5.7
145.10106	12.4
147.11684	3.3
149.13213	1.9
153.12749	2.0
155.08521	1.7
157.10143	3.4
159.11667	8.5
161.13229	2.5
163.11194	4.2
169.10190	1.3
171.11705	3.4
173.13298	5.3
181.12224	2.4
183.11690	1.8
185.13338	2.6
243.21202	1.5
261.22275	2.1
297.22095	1.5
405.31308	1.7
423.32632	6.0
441.33810	1.5
462.82187	1.3
497.36298	3.5
515.37280	100.0
516.37726	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
69.03429	1.9
69.43035	0.8
69.50441	6.5
79.01832	3.1
81.03421	3.7
85.02911	4.6
97.02872	2.5
98.21043	3.7
102.23711	0.8
103.66925	0.9
107.01306	3.6
109.02872	7.2
119.04927	2.4
122.07810	0.8
125.02344	7.5
127.02974	1.2
127.03903	16.1
132.51288	0.9
139.03889	66.1
143.03381	7.5
145.02841	0.9
145.71228	0.9
147.04387	5.2
148.04799	1.1
153.01814	100.0
163.03923	2.0
167.03386	67.4
170.70520	1.0
171.02870	56.3
185.04416	6.4
190.53926	1.0
212.05515	1.1
235.06628	1.1
238.28195	1.0
273.89545	0.9
297.06052	1.7
315.07010	3.0
443.24371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01878	1.3
55.05503	8.2
57.03395	1.2
57.07075	1.6
60.40401	1.0
63.09966	1.2
65.03949	1.8
67.05498	14.0
68.80389	0.9
69.03424	9.2
69.07065	13.7
69.13470	1.1
69.48145	8.0
71.04980	3.8
71.19355	1.1
79.05490	5.1
80.39980	1.0
81.03403	4.8
81.07051	16.4
83.04980	8.8
83.08628	6.7
85.02893	13.1
85.06542	2.9
87.04448	1.4
91.05463	7.3
93.07034	9.5
95.04934	3.6
95.08595	28.4
97.02891	4.9
97.06535	3.1
97.10162	3.8
97.17954	1.0
98.20741	2.3
99.04457	7.7
99.08096	5.4
103.03934	12.3
105.07019	12.2
107.08581	20.2
108.00780	1.1
109.02876	4.1
109.06512	8.0
109.10141	78.3
111.04375	1.2
111.08071	2.3
113.05988	1.2
117.07003	2.5
119.08563	35.0
121.06527	3.2
121.10117	12.6
123.04408	7.0
123.08072	11.1
123.11678	6.7
125.09647	2.2
127.03899	13.2
128.06200	1.3
129.06984	1.2
131.08557	8.4
133.10110	20.7
135.11673	70.7
136.12070	1.1
137.05963	2.4
137.09596	12.4
139.03882	14.4
139.11140	1.2
143.08530	3.3
145.04958	6.6
145.10072	8.7
147.04343	2.4
147.08081	1.4
147.11665	5.6
149.05968	1.6
149.09622	1.9
149.13245	6.2
151.03920	1.6
151.11150	7.9
151.14836	10.9
153.12730	1.9
155.03392	2.1
155.08568	1.2
157.10100	4.5
159.11673	5.1
161.06024	1.3
161.09621	3.2
161.13200	2.1
163.03926	4.0
163.06061	3.5
163.07506	1.6
163.11148	2.2
165.05446	1.4
165.09166	1.1
165.16333	1.6
169.10155	2.5
171.11676	3.5
171.59097	1.1
173.13213	5.7
175.14806	35.1
175.16255	2.4
177.05447	1.5
183.11655	2.9
185.13252	3.1
187.11200	1.6
187.14812	3.9
189.12698	3.3
191.14267	2.7
193.15860	39.6
197.13303	2.3
199.11256	1.9
199.14864	1.5
201.12698	2.2
203.14355	1.9
205.15718	1.4
211.16902	100.0
215.14236	1.7
256.17221	1.2
276.72266	1.1
435.28793	3.3
451.28494	1.8
453.29874	3.2
463.17615	2.6
469.29102	2.2
471.30731	3.2
481.18277	3.3
481.29416	3.5
499.30347	4.2
517.19067	1.1
517.31982	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	517.3156
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.01859	1.4
55.05505	4.0
57.07058	1.1
61.02921	1.4
63.24869	1.0
67.05490	10.3
69.03422	5.0
69.07063	3.6
71.04984	5.2
71.62257	2.0
77.94115	1.0
79.05482	8.3
79.69350	1.0
81.03428	2.8
81.07051	14.7
83.04975	5.4
83.08630	3.5
85.02887	3.1
85.06557	3.3
91.05473	16.3
93.07031	19.2
95.04964	9.0
95.08598	18.7
97.02863	1.3
97.06507	7.7
98.81614	1.2
99.04453	2.1
99.08079	11.6
105.07017	30.6
107.04935	2.2
107.08582	29.0
109.06505	13.7
109.10150	12.5
111.04463	2.2
111.08085	3.4
113.05995	5.7
115.05422	1.9
117.06989	8.0
119.08565	47.7
121.06480	8.3
121.10128	16.2
123.04379	1.8
123.08048	11.1
123.11729	3.7
125.05981	1.4
125.09655	1.8
128.06218	2.7
129.07025	4.3
130.07764	2.0
131.08556	24.5
131.09508	1.9
133.06467	11.4
133.10121	25.1
133.11070	2.0
135.08029	18.8
135.11652	6.2
137.05971	3.2
137.09604	4.5
139.03902	6.8
141.06990	2.4
142.07758	5.0
143.08537	12.9
144.09352	2.0
145.06485	3.8
145.10107	30.4
147.08049	9.1
147.11658	14.8
149.05977	1.8
149.09604	10.4
149.13277	3.2
151.07599	3.3
151.11205	1.5
153.07149	1.4
153.09169	1.3
155.08568	5.3
156.09366	2.6
157.06534	1.6
157.10104	12.5
158.10886	1.6
159.08028	8.6
159.11681	23.4
161.09599	32.5
161.10922	2.0
161.13251	12.2
163.03899	1.9
163.07550	4.7
163.11119	7.3
163.14798	1.8
165.06990	1.7
165.09097	8.7
167.08621	1.6
169.10104	7.1
170.10884	1.8
171.08118	2.5
171.11627	13.6
172.08859	1.3
173.09654	7.9
173.13234	25.2
173.14635	1.9
175.11185	10.7
175.14781	9.8
177.09151	2.7
177.12729	5.9
179.08498	1.5
179.10677	2.2
181.10104	2.0
182.10890	2.2
183.10204	2.6
183.11722	8.5
185.09653	4.4
185.13223	10.7
187.11172	11.0
187.14792	25.1
189.09068	1.5
189.12698	9.5
189.16425	3.1
191.10818	1.7
191.14304	8.2
193.10162	1.7
193.12308	1.8
195.11775	4.2
197.13191	7.5
199.11229	4.9
199.14816	4.0
201.12750	13.6
201.16440	2.2
203.10838	1.5
203.14297	12.9
205.12302	3.4
205.15851	1.9
207.11752	2.0
207.13829	3.5
209.09845	1.4
209.13254	2.5
211.11172	1.9
211.14920	3.4
213.12669	7.7
213.16298	1.6
215.14331	13.4
217.12254	3.1
217.15889	2.7
219.11850	2.1
219.13847	7.0
220.28880	1.4
221.13399	2.8
221.15430	5.3
223.14862	1.5
225.12759	1.6
225.16402	2.7
227.14433	1.6
229.12245	7.3
229.15909	2.5
231.13760	2.3
231.95776	1.2
233.15331	13.2
237.12712	2.4
239.14227	2.6
239.16151	7.6
246.13690	1.2
247.13078	8.2
255.17642	2.4
257.15399	1.5
259.13367	3.4
259.17105	1.7
265.14224	8.2
267.17429	2.4
268.18127	1.5
269.19064	2.7
281.19086	2.0
281.93420	1.3
295.16910	1.6
300.81406	1.2
305.19092	1.1
311.20441	1.3
321.22098	1.3
323.20370	1.5
339.23288	1.8
340.23965	1.8
341.24753	1.3
341.34341	1.2
345.22131	1.2
351.23209	2.2
363.23267	5.5
381.24103	8.5
386.24661	1.3
389.28549	1.7
395.25760	1.8
399.25275	8.5
405.27856	3.9
407.29443	2.8
417.28040	4.0
423.28912	1.6
427.24384	1.8
435.28909	16.4
451.28391	9.0
453.29980	37.0
463.28250	6.0
469.29489	4.4
471.31009	79.5
472.31409	3.1
481.29453	22.7
499.30533	39.8
500.30377	1.3
517.31628	100.0
518.32068	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	517.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.05509	17.6
62.70771	4.3
67.05492	25.6
67.16965	4.5
69.03420	23.4
69.07063	11.6
70.06590	5.7
71.04977	12.6
71.61883	5.9
72.06097	4.4
72.08147	6.5
73.02905	4.6
75.00555	4.1
79.05483	23.6
81.03409	6.5
81.07063	41.6
83.04984	7.7
85.02898	19.6
85.06531	7.0
86.17772	4.7
91.05485	41.3
93.07034	53.5
95.04952	16.0
95.08599	48.2
97.02872	7.0
97.06528	12.8
99.04417	8.2
99.08119	4.8
101.36726	4.4
105.07013	78.0
107.08591	54.9
109.02839	4.4
109.06515	17.2
109.10101	24.7
111.08057	9.7
115.07516	6.6
117.07018	24.1
119.08562	100.0
120.17673	4.6
121.06486	15.1
121.10120	43.9
123.04438	8.9
123.05352	4.1
123.08058	15.8
123.11709	9.7
127.03936	11.1
128.06151	9.6
129.07004	15.7
130.07753	5.6
131.08574	52.4
133.06502	7.1
133.10103	60.9
135.08040	30.7
135.11707	16.0
137.05977	12.6
137.09570	13.9
139.03896	22.9
141.07033	5.3
142.07741	12.2
143.08583	34.7
144.09334	4.8
144.67033	4.7
145.06465	8.4
145.10110	78.3
147.04439	12.6
147.08015	11.9
147.11674	40.1
149.05988	8.2
149.09575	20.8
149.13263	13.3
151.03882	16.2
151.07565	6.9
151.11177	6.2
155.08580	14.3
156.09351	12.3
157.10127	41.8
158.10818	5.9
159.08054	18.1
159.11703	52.5
160.08752	5.0
161.09607	51.9
161.13185	26.1
163.03938	7.3
163.07475	6.7
163.11166	13.1
163.14825	6.3
165.09012	6.5
167.07040	7.9
167.08559	5.2
167.10712	5.0
168.09360	7.6
169.10048	23.6
170.10890	14.0
171.11664	41.7
173.09647	19.5
173.13255	48.1
175.07486	7.3
175.11151	28.4
175.14822	14.2
181.10210	10.6
182.10889	9.7
183.11691	47.3
185.09596	4.7
185.13251	53.7
187.11136	23.7
187.14833	40.6
189.12730	53.4
189.16333	12.0
191.14288	23.6
193.15753	5.8
195.11726	11.6
197.13274	21.1
199.11191	24.4
199.14836	27.4
201.05440	7.3
201.12744	38.5
201.16377	12.6
203.14297	44.8
205.15804	6.8
205.55867	4.7
207.11917	4.9
207.13814	10.2
209.13333	6.5
209.15359	6.4
211.14799	11.7
211.16913	13.8
213.12750	14.9
213.16435	9.0
215.14290	60.2
217.12221	20.7
217.15871	19.1
219.10185	15.3
219.13786	9.2
221.15337	12.4
223.14903	6.9
225.12822	5.1
225.16348	8.6
227.14267	6.6
229.12088	6.3
229.15709	5.6
231.13792	13.9
233.15430	7.1
239.17958	5.6
243.13992	5.0
243.17178	5.2
245.15320	5.9
261.14841	5.6
263.12833	16.2
280.13419	5.1
281.18896	5.5
283.20496	5.7
377.71277	4.9
387.26871	6.8
389.28506	9.8
405.27820	6.6
417.27884	10.9
433.27405	15.0
435.28851	16.3
445.27472	6.4
451.28470	19.1
453.29724	14.0
455.31665	6.8
463.28455	23.2
469.29510	89.3
471.30927	15.3
481.29584	29.0
499.30911	22.3
510.32141	6.9
517.17902	7.0
517.31641	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	517.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03848	0.6
55.05378	1.7
55.05669	0.9
56.68456	0.4
57.03339	0.6
58.26103	0.4
62.28568	0.5
64.37842	0.4
65.03831	0.4
65.16521	0.4
66.15266	0.4
67.05350	3.9
67.05754	1.4
69.03306	0.9
69.06910	2.1
69.37022	4.8
71.04867	0.8
77.03805	0.5
79.05326	3.9
79.05827	1.0
81.03293	1.0
81.06886	7.2
81.07422	1.9
83.04848	1.1
83.05275	0.6
83.08482	0.8
85.02767	1.1
85.06403	0.9
91.05299	6.6
91.05916	1.2
92.43317	0.5
93.06860	8.5
93.07512	1.4
95.04777	1.9
95.08421	7.4
95.09069	1.1
97.02769	0.6
97.06345	2.2
99.04301	0.6
99.07944	0.6
103.05344	0.5
105.06839	15.2
105.07624	2.0
107.04756	0.7
107.08400	9.3
107.09176	1.2
109.06312	2.8
109.09956	5.0
111.04306	0.5
111.07891	1.9
115.05312	0.6
115.07373	1.4
117.06802	3.7
119.08375	15.0
119.09316	1.8
121.06313	1.9
121.09927	6.0
123.04227	1.8
123.07866	2.5
123.11555	0.8
125.09487	0.8
126.10397	0.4
127.03738	0.5
128.06020	1.8
129.06790	3.3
130.07639	0.9
131.08353	12.4
131.09413	0.9
133.06268	2.1
133.09911	9.1
134.42189	0.5
135.07823	3.1
135.11476	2.6
137.05856	0.8
137.09422	1.4
137.10405	0.5
139.03694	3.7
141.06750	1.7
141.07780	0.5
142.07550	1.7
142.08563	0.5
143.08340	9.1
144.09134	0.9
145.06303	0.6
145.10104	13.5
145.11113	0.9
147.08008	3.3
147.11659	7.0
149.09406	2.0
149.13058	1.4
151.10930	0.6
153.06749	0.8
155.08522	3.7
156.09346	2.6
157.10101	9.7
158.10733	1.1
159.07828	1.9
159.11684	12.9
159.12848	0.6
160.08623	0.6
161.05769	0.5
161.09596	4.4
161.13252	6.2
161.14465	0.6
163.03757	0.7
163.10977	1.7
163.14665	0.8
165.06760	0.9
165.12593	0.5
166.07550	0.7
167.08391	0.7
168.09090	1.6
169.10129	5.4
170.10680	1.4
171.11661	12.4
173.09404	2.1
173.13243	14.3
175.11174	3.6
175.14789	3.3
177.08890	0.5
177.12520	1.8
180.09097	0.6
181.10110	2.3
182.10738	1.1
183.11671	7.2
184.12395	0.7
185.09523	0.9
185.13245	9.2
187.11214	2.3
187.14799	5.3
189.12720	14.6
191.10484	0.6
191.14359	3.0
193.09972	0.5
193.11899	0.6
195.11737	2.1
195.13115	0.6
196.12204	0.7
197.13245	5.0
199.11153	12.2
199.14821	4.6
201.12726	6.6
201.16113	1.4
203.14293	5.2
205.12077	0.8
205.15665	0.9
207.11488	1.4
207.13504	1.0
209.13036	1.9
211.11073	0.7
211.14792	2.6
213.12677	0.9
213.16161	1.7
215.14325	3.9
217.12221	15.2
217.15556	1.6
218.12347	0.5
219.13789	2.3
219.17255	0.5
221.13249	0.9
221.15167	2.6
223.14699	0.8
225.12650	0.6
225.16154	1.4
227.10538	0.6
227.14113	1.4
229.15683	1.3
231.13605	1.2
233.15196	1.2
234.13634	0.5
235.14819	0.8
237.14494	1.0
237.16530	0.6
239.17854	1.0
241.15810	0.7
243.13713	1.0
243.17174	0.7
245.11465	1.8
245.15262	1.2
249.16229	0.6
251.17761	1.0
253.14156	1.8
253.41005	0.5
255.17047	0.6
257.15182	0.5
261.14490	0.7
263.10229	0.7
263.12750	12.2
265.19299	0.5
269.14832	0.4
277.14191	0.6
293.18723	0.5
305.17264	0.8
349.25000	0.7
367.61102	0.6
375.26855	0.6
387.26627	0.8
389.28574	0.7
399.26697	1.0
405.27670	1.3
417.27921	2.0
423.28607	0.9
433.27240	1.5
435.28915	1.6
445.27142	0.8
451.28159	2.6
453.30063	1.5
463.17468	1.3
463.28354	3.4
469.29468	100.0
470.29846	2.6
471.31018	1.2
481.18851	0.6
481.29419	5.5
487.30658	0.6
499.30600	4.9
510.32245	4.4
517.31622	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	517.3157
Annotation	Probucol
Peak:m/z	Relative Intensity
53.03827	0.5
55.01743	0.7
55.01975	0.5
55.05365	1.2
55.05651	1.0
57.03313	0.4
57.03558	0.4
67.05318	3.6
67.05729	2.2
69.03246	1.4
69.03656	0.7
69.06879	1.8
69.07290	0.7
70.06813	0.4
70.95333	1.0
71.04839	0.6
71.05172	0.5
77.03784	0.4
79.05287	4.8
79.05811	1.9
81.03239	0.9
81.03672	0.7
81.06846	6.5
81.07388	2.3
83.04800	0.8
83.08437	0.6
83.08876	0.5
85.02698	1.4
85.03237	0.8
85.06379	0.7
85.06810	0.4
86.59982	0.3
91.05257	6.7
91.05898	1.8
93.06824	8.6
93.07486	2.2
94.34258	0.3
95.04738	2.2
95.05390	0.5
95.08378	7.1
95.09049	1.7
97.02690	0.8
97.06306	2.5
97.06976	0.6
97.10026	0.4
97.46771	0.4
99.04234	0.4
99.07915	0.5
103.05282	0.7
105.06790	12.8
105.07584	2.6
107.04775	0.6
107.08353	9.4
107.09167	1.7
109.06275	2.4
109.09917	6.6
109.10740	1.2
111.04286	0.5
111.07841	1.4
115.03711	0.6
115.05289	0.7
115.07349	1.1
116.06065	0.5
117.06760	3.6
119.08331	16.1
119.09278	2.5
121.06240	2.7
121.09885	6.9
121.10855	1.0
123.04167	1.8
123.05107	0.9
123.07808	2.8
123.11468	1.0
125.09457	0.7
127.03677	0.7
127.17975	0.4
128.05977	1.4
129.06743	3.6
129.07776	0.9
130.07541	1.1
131.08305	12.7
131.09398	1.5
133.06232	1.5
133.09866	9.1
133.10942	1.0
135.07770	2.4
135.11436	2.7
137.05785	0.7
137.09361	1.5
139.03624	2.7
141.06714	1.3
142.07497	2.5
143.08281	8.8
143.09497	0.9
143.10455	0.5
144.09064	1.3
145.06288	0.8
145.09845	14.1
145.11095	1.3
147.04193	0.6
147.07755	3.4
147.11411	6.5
149.09335	1.9
149.12981	1.7
151.07309	0.8
151.10887	1.0
153.06804	0.4
154.07474	0.7
155.08276	3.9
156.09064	3.0
157.09842	9.4
158.10538	1.2
159.07809	1.7
159.11417	11.8
159.12842	0.8
161.05748	0.6
161.09340	4.2
161.12982	6.8
163.03673	0.9
163.07359	0.7
163.10890	1.6
163.14543	1.4
165.08852	0.6
165.12506	0.8
167.06773	0.5
167.08253	1.3
168.09061	1.5
169.09840	5.2
170.10625	1.3
171.11406	13.7
171.13016	0.9
172.12195	0.4
173.09328	1.7
173.12973	13.9
175.07251	1.1
175.10892	3.1
175.14767	4.0
177.05280	0.7
177.12421	1.9
177.16136	0.7
179.08292	0.5
179.14088	0.4
181.09840	2.7
181.11455	0.8
182.10637	1.3
183.11650	7.7
184.12209	0.8
185.09404	0.9
185.13235	8.8
187.11153	3.3
187.14809	6.0
189.08913	0.8
189.12711	13.5
189.16211	0.9
191.10533	0.4
191.14284	2.5
193.09868	1.0
193.11772	0.5
193.15681	0.5
195.11644	2.7
196.12209	0.4
197.09361	0.5
197.13219	6.4
199.11159	11.5
199.12854	0.5
199.14813	5.2
201.12711	5.7
201.16353	2.1
203.10489	0.7
203.14290	4.6
205.12032	0.7
205.15564	1.2
206.10397	0.4
207.11534	0.9
207.13509	0.8
208.12224	0.6
209.13307	2.6
209.15045	0.8
211.10872	0.6
211.14801	3.0
213.12720	1.8
213.16302	1.9
215.10429	0.6
215.14268	3.9
215.17683	0.6
217.12209	16.0
217.15421	2.1
219.11583	0.7
219.13533	2.5
221.13312	0.5
221.15288	2.8
223.14864	2.1
223.16537	0.7
225.12498	0.5
225.16315	1.8
227.10483	0.6
227.14053	1.0
227.17693	0.7
229.15839	2.2
231.13559	1.3
231.17267	0.4
233.15154	1.6
235.12907	0.8
235.14886	0.5
237.12463	0.5
237.14468	1.0
239.17813	0.7
241.15599	1.0
243.13559	1.1
243.17200	0.9
245.11635	2.0
245.15135	0.9
247.13014	0.6
249.16269	0.6
251.17821	0.7
253.14131	2.2
255.17374	0.9
257.15210	0.7
257.18799	0.5
259.16901	0.6
261.14499	0.6
263.12741	13.6
263.17490	0.5
275.18063	0.4
277.14087	1.0
277.17502	0.9
283.20111	0.5
291.15515	0.5
305.17252	1.1
321.22018	0.5
375.26779	0.6
387.26584	1.2
389.28455	0.8
399.26340	0.7
405.27704	1.8
407.29095	0.6
415.26645	0.5
417.27771	1.6
419.29468	0.6
421.27121	0.5
423.28702	1.1
433.27219	1.7
435.28848	3.2
445.27332	1.5
451.28418	2.5
453.29816	2.2
455.31540	1.0
463.17636	0.7
463.28271	3.7
469.29437	100.0
470.12283	0.4
470.29724	2.9
471.31058	1.5
481.18756	0.7
481.29413	6.7
487.30518	0.7
499.30710	4.9
510.32083	6.1
517.31628	26.8
518.31567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.9
55.05490	15.5
56.85761	4.4
58.99562	9.2
67.05476	17.6
69.03419	35.0
69.07045	9.1
70.06570	13.4
71.04968	6.7
71.57436	4.9
76.02219	50.1
79.05483	28.4
81.03410	8.3
81.07052	57.3
83.04962	16.8
84.04476	13.0
85.02887	22.2
86.09679	8.8
91.05448	37.3
93.07038	47.8
95.04965	15.6
95.08150	5.1
95.08611	61.8
97.02876	26.1
97.06513	11.4
104.35727	4.2
105.07023	90.3
107.04958	7.0
107.08570	61.8
109.06496	23.8
109.10138	21.8
111.04408	7.8
111.08076	6.7
115.03870	33.3
115.05444	5.7
116.01655	20.1
117.06986	13.9
119.08573	100.0
121.06477	26.3
121.10136	52.0
123.08047	13.9
123.11681	15.7
125.06047	4.3
127.03904	10.1
128.06189	8.1
129.06972	17.0
130.04973	9.4
131.08551	59.6
133.06465	6.7
133.10106	59.9
135.08029	22.7
135.11655	28.3
137.05940	15.3
137.09567	7.9
142.07755	12.0
143.08557	41.8
144.01083	7.9
144.09282	5.3
145.06418	10.1
145.09019	7.1
145.10106	87.8
147.04413	7.1
147.07997	20.0
147.11670	46.4
149.09610	10.5
149.13213	11.4
151.07608	4.7
151.11090	4.5
155.07129	5.2
155.08514	17.0
156.09367	12.4
157.10097	56.1
159.07991	13.3
159.11693	53.0
161.09589	28.4
161.13213	32.3
162.02185	24.4
163.11166	10.6
163.14749	10.2
167.07063	8.0
168.09328	9.1
168.10913	4.3
169.10112	24.3
170.10881	9.9
171.11646	49.8
173.09593	15.0
173.13246	47.5
175.11174	24.7
175.14793	32.8
177.09042	5.3
177.12721	16.6
179.04832	57.1
181.08551	8.0
181.57639	4.8
182.10956	5.8
183.11690	29.0
185.09604	5.8
185.13229	63.1
187.11127	10.2
187.14807	39.3
189.09056	5.9
189.12730	45.1
189.16313	7.9
191.14311	15.3
192.14516	6.2
193.12262	10.0
195.11598	6.6
197.13246	24.6
197.23500	4.3
199.11163	5.9
199.14778	23.4
201.12740	28.2
201.16389	15.2
203.14291	36.8
205.12193	13.1
205.15805	8.1
207.11891	5.4
207.13751	6.5
209.13312	6.2
211.13217	12.7
211.14973	6.8
213.12657	9.0
213.16438	9.6
215.14343	40.5
215.18008	5.8
217.12250	7.7
217.15826	19.8
219.13757	13.3
220.44133	5.1
221.15448	5.0
225.16339	5.1
227.14375	7.3
229.15820	14.0
231.13782	10.2
233.05901	7.5
233.15395	19.5
245.15334	10.9
247.13231	5.3
263.85147	5.2
308.09119	32.0
322.83429	5.0
355.07864	9.7
372.10532	11.9
375.26990	6.8
377.28476	5.2
387.26535	11.6
389.28809	6.1
393.27478	4.7
395.25827	6.9
399.26483	5.7
405.27814	42.7
407.29453	10.0
417.27664	26.1
423.28870	25.4
433.27090	15.5
435.28940	31.6
451.28616	34.7
453.29865	27.6
463.28189	18.3
469.29562	50.5
471.31116	27.6
481.29526	32.6
499.29922	7.7
517.22461	30.9
517.31207	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	517.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.2
53.03923	4.8
54.85779	1.2
55.01848	4.5
55.05502	19.2
57.03395	1.8
57.07051	1.5
58.38773	1.2
58.58630	1.4
59.05003	1.4
65.03903	1.9
67.05495	39.0
68.99698	1.2
69.03416	2.4
69.06777	1.2
69.07066	14.9
70.70337	3.1
70.70715	1.7
71.04971	3.4
73.06576	1.6
79.05482	49.6
81.03408	7.2
81.07046	82.1
83.04957	5.5
83.08613	10.6
85.06527	3.8
91.05469	45.7
93.07034	54.5
95.04955	21.2
95.08595	23.8
97.06507	5.9
97.10146	3.5
103.05420	1.7
103.66330	1.3
105.04495	1.5
105.07016	38.2
107.04930	11.4
107.08582	21.4
109.05780	2.1
109.06503	35.3
109.10147	8.9
111.08060	4.0
117.06982	10.2
119.08559	28.8
121.06493	7.3
121.10136	14.1
123.08047	8.5
123.11671	4.2
125.09608	2.9
128.06206	1.5
129.06985	13.6
131.08543	11.1
133.10123	19.3
135.08011	5.5
135.11649	5.4
137.09579	3.8
141.06932	1.7
143.08557	8.3
145.10107	16.4
147.08002	3.9
147.11665	33.8
149.09578	5.4
149.13216	4.8
151.11147	3.7
155.08450	1.3
157.10077	3.5
159.11690	7.9
161.09541	4.6
161.13255	9.7
163.11139	6.5
163.14749	3.9
165.12708	5.3
171.11676	22.0
173.09615	1.7
173.13220	5.2
175.11147	4.0
177.12694	2.1
179.14294	3.1
183.11568	1.8
187.11137	1.4
189.12717	15.9
193.12164	4.1
197.13130	2.2
207.13777	21.9
223.13252	3.6
225.14680	2.6
229.19438	3.8
238.90190	1.5
239.17830	5.5
247.20540	5.6
257.19003	10.1
275.20032	100.0
293.21066	25.0
517.37976	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	517.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
55.01873	7.0
55.05506	26.4
57.03424	2.6
65.03954	3.0
67.05499	41.3
68.05827	1.3
69.07054	13.3
69.40169	15.2
71.04976	2.5
73.06548	1.6
79.05483	43.6
81.03406	10.9
81.07047	37.6
83.04958	9.1
83.08608	24.7
85.02919	1.5
85.06526	3.8
87.78448	1.2
91.05469	37.1
93.07029	50.2
95.04346	2.3
95.04960	39.2
95.08597	21.7
97.06498	7.0
97.10164	5.1
98.21449	2.5
99.08111	1.3
102.39590	1.3
103.05473	1.5
105.07021	36.7
107.04946	14.0
107.08582	22.1
109.06484	7.8
109.10142	9.6
111.08060	4.5
117.07000	14.8
119.08567	28.2
121.06493	5.4
121.10136	14.6
123.08050	5.0
123.11711	2.1
125.09663	4.6
129.06985	6.0
130.07846	1.6
131.08548	15.3
133.09116	1.4
133.10115	24.0
135.08043	5.6
135.11667	8.9
136.11942	1.7
137.09618	3.9
141.06902	1.6
143.08543	6.2
145.06474	1.4
145.10114	25.0
147.08090	2.5
147.11678	25.5
149.09605	23.6
149.13206	3.6
151.11159	3.1
155.08524	3.7
157.10156	3.6
159.11699	8.8
161.09572	4.8
161.13196	7.4
163.11143	28.9
165.12759	4.9
169.10165	3.0
171.11673	16.6
173.09590	3.3
173.13252	4.5
175.14766	2.2
177.12733	4.1
183.11678	2.5
187.14911	1.8
189.11159	3.6
189.12762	5.3
191.10771	2.1
197.13231	2.2
207.13806	20.1
217.04839	1.5
223.13303	16.6
225.14746	2.6
229.19449	5.0
239.17859	8.1
247.20575	4.2
257.18994	15.1
275.20032	100.0
293.17761	2.9
293.21063	49.6
309.86102	1.4
352.28452	1.4
517.37567	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.25900	1.0
50.59824	1.0
53.03940	2.3
55.01876	1.2
55.05508	10.7
57.03431	4.7
57.71705	1.0
63.25003	1.0
65.25716	1.1
67.05500	25.2
69.07060	10.1
69.30019	14.3
71.04973	1.4
79.05486	17.1
81.07053	27.3
83.04980	1.8
83.08607	6.4
91.05471	12.4
93.07033	20.8
95.04967	2.9
95.08603	18.9
97.06523	2.8
97.10178	2.7
98.20715	2.6
98.21391	4.1
99.08094	1.7
105.07023	17.1
107.08562	13.0
109.06518	2.3
109.10136	7.8
111.08085	2.6
112.99995	1.3
117.07009	5.0
119.08565	19.5
121.10153	10.6
123.11710	4.0
125.09637	1.7
127.82593	1.1
129.07019	1.7
129.37625	1.2
131.08556	9.9
133.10123	11.6
135.11679	7.4
141.31757	1.3
143.08568	4.6
145.10080	10.7
147.11661	9.8
149.13286	4.6
157.10158	5.4
159.11684	9.3
161.13239	5.1
163.11224	1.5
163.14867	2.4
169.10091	1.5
171.11702	4.6
173.13254	6.1
173.48073	1.2
175.14857	2.9
183.11752	1.7
184.07353	2.2
185.13264	3.8
187.11426	1.3
187.14854	2.4
189.16377	1.8
197.13280	2.1
199.14868	2.6
201.16429	2.7
205.15848	1.6
206.16893	1.2
215.18152	1.3
217.15961	1.6
241.17706	2.3
259.20642	2.0
263.20169	1.4
275.20026	2.5
287.49112	1.2
365.47229	1.3
405.30228	2.9
407.33163	3.9
425.34055	10.2
443.35287	3.6
499.37875	15.4
517.38855	100.0
518.39270	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.50941	1.7
53.03921	1.9
55.05511	13.0
55.76752	2.2
57.03429	4.7
65.03931	2.1
67.05498	25.1
69.07070	11.1
71.64400	2.6
77.25206	1.7
79.05480	15.3
81.07048	28.4
83.08617	11.3
85.06554	1.7
91.05479	15.5
93.07032	23.8
95.04964	6.3
95.08586	23.8
97.06550	1.9
97.10154	2.3
105.07014	19.6
107.08585	13.6
109.10136	9.5
117.07032	5.3
119.08572	22.7
121.10144	12.6
123.11720	4.0
129.06982	4.7
131.08557	15.3
133.10118	14.2
135.11685	10.2
141.06874	1.7
142.04709	2.2
143.08571	4.6
145.10117	11.9
147.11687	7.7
149.13257	5.4
149.30659	1.6
155.08615	2.0
157.10109	5.9
159.11702	8.2
161.13239	5.7
163.14761	2.7
169.10101	2.8
171.11694	5.2
173.13246	7.0
175.14821	2.2
185.13188	3.8
187.14862	3.1
197.13266	2.8
199.14816	1.8
220.11145	2.0
223.13307	2.5
259.20483	2.2
275.20114	2.2
341.97812	1.7
407.33261	2.9
425.34204	8.9
443.35205	4.9
499.37817	13.6
517.38818	100.0
518.39368	2.3
519.64221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01862	1.1
57.03427	2.3
61.02931	2.6
69.03124	0.5
69.03426	6.6
69.72369	1.2
69.72784	2.1
70.06563	0.7
71.04967	0.5
72.08145	0.6
73.02905	1.0
73.66148	0.4
79.05440	0.5
81.03404	2.5
85.02898	25.5
87.04436	0.5
90.00442	0.5
91.03935	0.7
92.05047	0.5
97.02881	8.0
98.97568	0.5
99.04409	0.8
103.05411	0.6
109.02827	2.3
117.03339	1.0
121.02847	0.8
123.04422	2.5
127.03915	5.7
131.04938	1.6
133.10103	0.9
135.04417	3.6
139.03915	1.6
141.29803	0.5
145.02835	1.5
145.04970	3.0
147.04395	10.0
149.02318	4.6
149.05965	1.0
151.03871	0.7
159.04353	1.5
161.05928	1.5
163.03897	18.6
164.04265	0.6
165.05594	0.7
166.56870	0.5
175.03888	2.0
177.01840	7.0
177.05418	3.5
181.04900	0.8
187.03854	3.1
189.05450	2.1
195.02975	0.6
201.05463	0.8
203.03377	100.0
204.03758	1.2
205.04941	6.5
206.15369	0.8
213.05463	1.6
215.03386	7.8
217.04976	0.9
217.73871	0.5
219.02901	1.3
221.04431	1.0
229.04959	2.1
231.02866	13.0
233.04480	6.5
240.02913	0.6
243.02779	0.5
247.02428	0.6
247.05951	1.0
257.04471	0.8
259.06036	1.0
261.03964	8.5
275.05380	0.9
279.04968	19.9
291.04962	26.1
303.04971	2.2
321.06024	8.9
339.07095	32.8
357.08057	0.9
380.09760	1.5
452.35968	0.6
455.11469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01865	2.5
55.96817	1.2
57.03432	17.9
59.04990	3.8
60.04512	1.7
61.02919	5.3
62.06086	1.2
67.05486	2.7
69.03424	67.1
69.07059	2.2
71.04990	2.7
71.28728	1.3
73.02908	3.7
75.04469	2.6
79.05485	21.5
81.03393	6.4
81.07049	5.2
83.04971	1.9
85.02899	80.3
85.06535	33.1
87.04462	45.0
91.03944	3.0
91.05479	1.7
93.07047	3.2
95.04962	4.6
95.08614	1.6
97.02885	58.8
98.21061	1.9
98.65051	1.1
99.04446	3.7
105.03384	34.0
105.07019	2.4
107.08591	3.0
109.02885	4.2
109.06507	4.4
111.04423	2.3
115.03921	74.2
119.08597	1.7
121.06518	1.4
123.04419	100.0
123.08048	2.1
127.03912	17.8
133.04956	68.4
135.08084	1.5
137.06068	1.4
139.03871	4.5
141.05486	1.5
145.04942	33.2
147.11633	1.6
150.07617	9.7
151.07527	3.0
153.09076	3.6
159.11658	1.6
161.13303	1.2
163.06026	12.7
163.07454	2.3
169.04951	1.1
173.38478	1.1
180.50943	1.1
181.08588	2.7
189.09102	9.7
199.09659	13.1
207.10167	1.3
211.09601	1.8
217.10725	2.9
223.05974	1.4
229.10754	5.4
233.48996	1.2
259.08047	2.7
277.09158	1.8
285.09634	8.5
295.10242	1.5
347.77756	1.2
351.48965	1.1
378.62482	1.1
388.94183	1.2
472.31113	2.0
518.32074	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	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01866	2.4
55.05506	1.9
57.03429	15.6
59.04992	5.0
61.02922	5.7
67.05488	3.1
69.03420	60.2
69.07046	1.3
71.01334	1.2
71.04989	1.9
71.28088	2.0
73.02907	3.8
75.04462	2.5
75.69483	1.0
79.05483	19.7
81.03415	6.0
81.07053	5.5
83.04968	1.6
85.02895	72.2
85.06532	32.2
87.04459	39.4
91.03959	3.8
91.05458	1.9
93.07035	2.5
95.04945	7.1
95.08604	3.1
95.17507	1.0
97.02879	52.5
97.06527	1.2
99.04447	2.6
103.03922	2.0
105.03381	36.0
105.07016	3.7
107.04889	1.1
107.08568	3.4
109.02853	4.5
109.06515	3.7
109.10098	1.6
111.04459	1.4
115.03915	69.5
117.05503	1.3
117.06921	1.4
119.08556	3.6
120.08841	1.3
121.06532	1.5
123.04412	100.0
123.08041	2.6
127.03911	13.5
131.08507	1.6
133.04950	66.8
133.10123	1.6
135.08046	2.9
139.03885	4.4
140.04221	1.8
143.08551	1.2
145.04944	34.6
145.10158	2.0
147.04298	1.2
147.11703	1.8
150.07611	8.4
151.07500	2.9
153.09090	2.5
154.07219	1.1
159.11687	1.9
161.09621	1.7
163.03917	2.1
163.06009	12.7
163.07430	2.0
181.08653	1.6
189.09064	17.7
199.09612	10.8
207.10168	2.0
217.10670	2.1
229.10640	6.7
247.11780	2.1
259.08093	2.1
285.09610	6.3
293.86862	1.2
295.10211	2.3
296.17053	1.2
311.64609	1.2
333.70096	1.3
518.31970	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	518.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.05495	1.5
57.37392	0.5
65.03920	1.0
65.30388	0.5
67.05493	3.4
68.99756	1.0
69.07056	1.1
69.55121	4.1
79.02708	0.5
79.05479	2.2
81.03425	0.7
81.07024	2.6
83.04971	1.2
83.08639	0.7
85.02856	0.5
85.06538	0.6
91.05465	2.3
93.03399	0.6
93.07024	2.2
97.02867	0.7
105.07005	2.0
107.04949	0.6
107.08557	2.0
109.06537	0.6
109.10144	1.3
111.04444	3.2
115.05448	0.5
119.08552	0.8
121.02876	0.6
121.10098	0.8
123.04400	1.7
129.06989	0.7
131.08557	2.0
133.10106	1.1
135.04410	0.9
135.08093	0.6
135.11655	0.7
137.05962	1.3
137.41539	0.5
139.03882	100.0
140.04225	0.8
141.06984	0.8
145.06465	1.1
145.10239	0.8
147.04393	1.9
147.07991	0.6
149.05975	1.2
151.03865	0.7
155.08566	0.8
156.09285	0.6
157.06502	1.0
157.10132	1.1
159.08022	0.9
161.06001	3.5
163.02521	1.2
163.03888	22.0
163.07378	0.6
165.05383	0.8
165.06787	0.6
167.03395	0.6
167.08553	0.8
169.06477	0.8
171.08005	1.0
173.05971	1.5
173.09573	0.6
175.07509	1.8
177.05457	1.5
183.08015	1.0
183.11710	0.6
185.05966	1.2
185.13284	0.8
187.07539	2.4
187.14815	0.9
189.05464	2.7
189.09010	0.6
191.06955	0.8
195.07870	0.7
195.11661	0.6
197.06049	0.8
199.07535	1.2
201.09175	0.9
213.08986	0.8
215.06978	1.0
223.14911	0.7
241.15839	0.7
261.12759	1.2
269.15231	1.0
279.13803	1.1
295.05930	0.7
297.14957	1.3
309.07553	2.2
315.15863	11.6
318.05569	0.6
327.15936	1.2
333.16922	1.7
335.09058	0.6
345.16968	1.0
349.10974	0.6
406.27734	0.7
429.16998	0.8
436.29028	0.6
447.11880	1.1
447.18024	19.2
465.19061	29.7
483.20050	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05022	0.5
56.46541	0.1
57.03429	0.1
58.06625	0.4
59.07379	0.1
60.08155	6.0
62.57452	0.1
65.09637	0.1
67.05495	0.5
69.07045	0.1
71.07365	2.5
79.05486	0.2
81.07038	0.5
86.09693	29.3
87.10063	0.1
91.05443	0.1
93.07034	0.2
93.43842	0.1
95.08595	0.3
98.21131	0.5
98.98447	2.4
104.10730	2.9
105.07088	0.1
107.08520	0.1
116.99444	0.1
121.10122	0.1
124.99986	19.2
131.08447	0.1
143.01022	0.3
166.02596	0.1
184.07314	100.0
185.07698	0.5
188.78055	0.1
248.40530	0.1
258.10947	0.1
335.25714	0.1
500.31268	1.0
518.32373	2.5
519.33624	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	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20772	0.2
55.05491	0.7
56.05025	1.1
57.03418	0.4
58.06560	1.4
59.07377	0.3
60.08155	16.7
65.67321	0.2
65.96425	0.2
67.05495	2.8
69.07056	0.7
69.65843	1.3
71.07360	6.4
79.05489	1.7
81.07036	1.8
83.08600	0.2
86.09691	50.7
87.10004	0.2
91.05447	0.9
93.07029	1.7
95.04955	0.4
95.08605	1.5
98.98447	3.6
104.10726	91.7
105.06998	0.5
105.11062	0.6
107.08600	0.5
109.10147	0.5
116.99485	0.2
117.06989	0.4
119.08583	0.5
121.10122	0.4
123.11672	0.1
124.99983	29.5
131.08525	0.2
133.10120	0.4
135.11685	0.3
136.99940	0.1
143.01050	0.6
154.55959	0.2
163.01524	0.7
179.14005	0.2
181.02583	0.3
184.07309	100.0
185.07649	0.6
189.63013	0.2
199.03624	0.2
206.71497	0.2
218.74289	0.2
234.71591	0.2
258.10968	0.9
291.54233	0.2
299.06653	0.2
335.25705	0.6
352.12122	0.2
372.85059	0.2
441.24210	0.2
500.31232	7.1
501.31958	0.2
518.32361	31.4
519.32629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41359	0.2
55.05500	0.7
55.68484	0.2
57.03431	0.2
67.05489	1.1
69.03413	0.8
69.07049	0.5
71.01391	0.7
71.04993	0.4
76.58530	0.2
77.13765	0.2
79.05476	1.0
81.03399	0.4
81.07039	1.3
83.08557	0.2
85.02912	1.1
86.09695	0.4
91.05413	0.4
93.07036	1.7
95.04973	0.4
95.08601	1.7
97.02868	0.4
97.06534	0.6
98.97565	0.2
99.04433	0.3
99.08125	0.3
105.07018	2.7
107.08592	2.0
109.06519	0.5
109.10151	1.3
115.05423	0.4
117.07040	0.5
119.04946	0.3
119.08566	2.6
119.68726	0.3
121.06531	0.6
121.10145	2.0
123.08091	0.7
123.11742	0.3
129.07065	0.5
131.08549	1.9
133.06525	0.3
133.10129	1.2
135.08067	0.5
135.11688	0.7
137.05951	3.1
137.06892	0.3
137.09624	0.3
142.07693	0.2
143.08543	1.0
145.06436	0.3
145.10101	6.2
147.04352	0.2
147.08031	0.5
147.11659	1.3
149.05927	0.2
149.09583	0.5
155.08554	0.3
157.10126	1.5
158.10986	0.4
159.08167	0.3
159.11670	7.3
161.01086	0.2
161.06046	0.4
161.09642	1.0
161.13255	0.7
163.11246	0.4
165.12724	0.4
167.05588	0.6
167.07014	0.5
169.10118	0.7
170.10864	0.3
171.11681	1.6
173.13242	3.4
175.07578	0.4
175.11188	0.3
175.14784	1.2
177.12743	0.3
177.16428	0.3
179.07118	0.3
181.08617	0.3
183.11691	0.9
185.13222	1.7
187.14796	1.2
189.12743	0.6
189.16354	0.3
191.14336	1.0
197.13272	0.8
199.13165	0.2
199.14841	0.9
201.12714	2.4
201.16411	0.5
203.05290	0.7
203.14256	2.6
204.06555	0.8
205.15916	0.3
207.13846	0.3
209.13234	0.6
211.14760	0.5
213.16385	0.3
215.14349	0.3
217.15926	0.4
219.17448	0.5
221.15399	0.5
225.04242	0.3
229.16055	0.3
231.17493	0.5
239.16467	1.0
247.13364	0.3
249.18527	0.3
251.17924	0.4
259.07922	1.0
260.08456	0.3
265.14224	0.5
267.00323	0.3
268.10687	0.4
283.06253	0.3
283.15247	0.6
293.11761	0.2
299.06259	0.9
335.12778	0.3
347.12726	0.3
357.18750	2.7
365.13776	0.6
389.28217	0.3
401.28189	0.4
407.29404	0.5
415.03470	0.3
419.29477	0.4
437.30533	0.9
455.31567	9.6
457.32980	2.1
459.21860	0.8
471.31494	0.3
473.32431	0.7
483.30661	0.4
487.21683	0.9
501.32089	2.1
519.24139	100.0
519.32440	4.7
520.24506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3313
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
55.05508	12.0
57.03439	4.0
57.07086	3.6
58.62366	3.6
67.05486	20.9
69.03415	16.2
69.07053	10.3
71.01380	3.6
79.05487	15.1
81.07059	34.8
83.04994	3.8
83.08594	6.2
85.02894	13.7
91.05415	18.5
93.07037	38.3
95.04963	15.0
95.08587	43.1
97.02892	12.4
97.06523	5.2
97.10125	4.1
99.08061	10.5
100.59971	3.5
105.07023	56.0
107.04884	3.4
107.08582	65.8
109.02885	5.1
109.06494	10.6
109.10147	24.0
111.04463	11.0
115.03929	15.8
117.06998	11.8
119.08568	100.0
121.06506	9.6
121.10126	39.7
123.08036	7.6
123.11681	8.6
123.35330	4.5
127.03902	4.9
127.07545	4.3
129.06999	8.5
131.08559	49.7
133.06480	4.3
133.10114	50.2
135.08075	13.3
135.11661	26.4
137.05983	4.2
137.09610	6.1
139.03880	22.6
142.07762	6.1
143.08519	30.9
144.09377	4.0
145.06448	5.9
145.10107	70.6
147.08070	12.8
147.11685	49.7
149.09662	6.3
149.13239	7.9
153.09322	3.8
155.08516	8.5
156.09335	6.9
157.10110	30.3
159.07976	5.7
159.11688	45.7
161.09628	13.4
161.13205	24.6
163.03897	11.6
163.07526	9.8
163.11214	5.8
163.14771	4.7
164.04280	5.4
167.05501	5.6
168.09418	4.6
169.10100	13.1
170.10899	7.5
171.11707	30.5
173.09583	5.8
173.13237	42.7
175.11212	10.9
175.14775	31.2
176.23410	3.7
177.12715	8.1
177.16451	6.4
181.10117	7.3
182.10965	3.8
183.11707	14.2
185.13240	45.6
187.11302	4.1
187.14806	81.2
189.12708	24.1
189.16377	13.9
191.14337	9.2
193.10046	5.0
193.12167	3.8
195.11673	8.6
197.13280	13.4
199.11227	6.7
199.14801	40.4
201.12790	16.1
201.16405	43.3
203.14287	30.7
203.18117	3.8
205.12170	4.6
207.13840	5.2
209.13193	8.4
211.14867	10.0
213.12761	6.6
213.16422	15.3
215.14252	22.2
215.17734	5.1
217.15865	8.0
219.13815	10.9
221.15352	9.2
223.14815	3.8
225.16490	7.8
227.14313	6.3
227.17870	8.4
229.15831	6.0
231.13870	4.6
233.15317	12.9
239.18094	4.4
243.17520	5.6
245.15408	14.8
247.17017	6.4
249.14615	18.4
251.18069	8.6
255.17421	3.9
259.16953	10.0
263.18076	4.0
299.06210	8.7
333.17056	7.8
344.73676	4.3
353.24866	5.0
379.25986	5.8
389.28448	29.4
391.29941	9.0
401.28369	12.0
407.29367	47.2
409.30954	7.8
417.28152	5.4
419.29431	55.5
425.30444	12.4
435.29013	27.5
437.30392	37.5
447.28973	18.5
453.30084	46.9
455.31418	15.3
465.30075	40.1
471.31009	28.2
473.32516	10.1
483.31094	24.1
501.31818	8.8
519.33112	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	519.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50315	2.6
55.05494	6.1
57.07065	4.6
67.05488	13.6
69.03413	8.7
69.07059	11.9
71.04964	3.9
74.05450	2.9
79.05487	18.7
81.07045	38.2
83.04967	4.3
83.08608	8.6
85.02898	13.3
85.06522	6.8
91.05452	35.1
93.07036	43.1
95.04959	13.2
95.08597	44.6
97.02901	6.2
97.06511	14.6
98.21467	5.1
99.04473	4.2
99.08074	14.6
105.06366	5.9
105.07021	71.9
107.05031	4.2
107.08585	52.3
109.02912	4.6
109.06512	15.3
109.10136	14.0
111.04421	4.5
111.08122	3.4
113.06027	4.8
115.03915	8.6
115.05379	3.8
117.06991	18.5
119.08566	100.0
121.06507	21.5
121.10126	32.2
123.04436	10.8
123.08047	8.3
123.11707	7.2
124.04829	2.9
127.03899	3.8
127.07558	3.4
128.06200	8.5
129.06989	13.4
131.08549	71.3
133.06459	5.9
133.10110	66.3
135.08014	15.0
135.11694	26.6
137.05901	8.8
137.09645	4.9
141.47136	2.8
142.07817	7.1
143.08553	32.4
144.09325	5.7
145.04951	5.0
145.06445	5.4
145.10106	69.8
147.08046	21.5
147.09039	3.8
147.11668	50.3
149.09633	6.1
149.13231	12.3
155.08522	8.7
156.09332	10.1
157.10103	45.5
158.10843	5.9
159.08055	13.1
159.11667	68.4
161.09579	23.8
161.13240	28.8
163.03902	5.5
163.11159	9.6
163.14784	8.1
168.09386	6.6
169.10106	12.2
170.10896	4.3
171.11656	33.2
173.09595	13.3
173.13239	55.0
175.11180	13.0
175.14813	30.2
177.12704	16.0
177.16367	5.0
179.14198	3.8
181.10153	6.5
182.10878	3.7
183.10217	4.8
183.11688	27.7
185.09619	5.0
185.13260	51.1
187.11182	13.1
187.14807	67.7
189.12744	50.1
189.16359	9.9
191.14290	19.8
193.12212	5.2
195.11699	5.6
197.13179	18.6
199.11197	10.3
199.14803	28.2
201.12718	26.5
201.16391	31.2
203.14296	47.6
203.17969	3.5
205.12186	11.5
205.15823	14.3
207.13736	5.5
209.13367	7.1
211.11160	3.9
211.14787	12.9
213.12656	4.4
213.16402	10.7
215.14305	45.7
215.17871	4.6
217.12271	3.7
217.15848	24.3
219.13799	13.8
219.17358	6.1
221.13451	4.8
221.15245	20.4
223.14951	5.5
225.16403	6.9
227.14256	5.9
227.17976	5.5
229.15820	12.2
231.13792	6.5
231.17426	4.6
233.15398	11.2
237.14505	4.3
239.18091	3.3
241.16025	3.5
245.15311	7.7
249.14806	4.8
253.14169	6.0
253.19533	4.6
259.16879	4.5
261.14822	3.6
293.18753	3.9
317.22757	4.2
317.79761	3.5
335.23587	5.9
389.28320	26.8
391.30234	4.5
401.28415	13.0
407.29416	54.0
419.29510	38.1
425.30542	11.2
435.29108	18.6
437.30481	37.4
447.28943	9.5
453.29965	21.7
455.31650	16.6
465.29849	27.7
471.30899	7.2
473.32779	4.3
483.30991	27.9
501.31866	6.6
519.33142	4.3
536.76007	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	519.3309
Annotation	Presenegenin
Peak:m/z	Relative Intensity
53.66549	0.9
55.05507	6.3
57.07050	0.8
67.05499	6.6
69.03424	1.6
69.07049	4.4
69.07365	0.9
69.58529	7.8
74.71573	0.9
79.05485	12.1
81.03421	1.1
81.07039	15.5
83.04952	3.0
83.08591	2.0
85.06516	1.6
91.05445	12.9
91.36954	1.1
93.07034	16.3
95.04967	4.8
95.05483	0.8
95.08598	16.9
97.06528	3.4
98.20968	3.1
99.08079	15.8
103.05458	2.1
105.07016	100.0
106.19602	0.9
107.08578	29.5
109.06525	7.7
109.10131	7.3
111.08062	2.4
113.06086	1.0
117.07008	7.0
117.51056	1.1
119.08566	39.3
121.06473	3.5
121.10127	14.0
123.08049	5.5
123.11687	1.1
125.09586	3.0
128.06230	1.4
129.07014	3.8
131.08549	43.4
133.06468	21.5
133.10103	18.9
135.08051	4.1
135.11662	5.1
137.09604	4.7
137.13152	0.9
141.06955	1.6
141.88554	0.9
142.07768	2.4
143.08533	9.8
144.09277	2.2
145.06540	1.8
145.10106	20.6
146.07355	1.4
147.08035	8.7
147.11665	11.9
149.05861	1.3
149.09602	4.7
149.13252	2.9
151.11166	2.0
155.08549	2.3
156.09331	3.0
157.10117	11.8
158.10901	1.8
159.08064	4.1
159.11679	19.3
161.09634	10.2
161.13213	8.8
163.11189	3.1
163.14806	2.2
167.10707	1.6
169.10066	5.2
170.10933	1.6
171.11673	9.4
173.09676	5.0
173.13242	39.9
175.11183	3.2
175.14806	13.2
177.09151	1.8
177.12770	3.4
179.14314	1.4
181.10115	2.2
182.10889	1.2
183.11659	8.8
185.13173	11.0
187.11238	1.3
187.14813	6.4
189.12701	2.5
189.16403	2.0
191.07010	3.8
191.10603	1.1
191.14279	9.0
193.08519	1.3
195.11670	3.9
197.13292	4.1
199.11127	1.1
199.14827	4.2
201.12718	15.5
201.16377	4.6
203.14279	18.0
205.08578	1.6
205.15900	2.6
206.09332	3.5
207.11816	1.8
209.13272	3.3
211.14783	3.4
213.12869	1.7
213.16385	2.0
215.14297	4.4
217.15921	4.1
219.11896	1.1
219.13771	31.4
219.17412	2.7
221.13387	1.9
221.15292	6.7
223.14825	3.1
225.16393	2.0
227.14268	1.3
229.15926	1.2
230.04135	1.0
231.13881	2.0
233.13315	1.5
233.15479	2.9
235.14908	1.9
237.16238	1.4
237.18445	1.4
239.16246	6.6
241.15997	1.2
247.13097	7.5
251.18065	1.7
259.20517	1.1
261.14749	2.0
265.14288	9.6
267.17697	1.8
269.18997	2.4
279.15759	2.6
295.20474	1.0
299.06229	3.1
335.23550	1.4
337.34842	1.0
347.23508	1.9
349.21478	2.1
365.25110	2.0
383.25916	1.8
391.30121	1.7
401.28110	1.5
407.29535	2.2
409.31039	1.9
419.29266	6.1
437.30457	8.1
439.31604	1.1
447.28018	3.0
453.30014	1.1
455.31567	9.9
457.33563	1.5
465.30017	2.8
473.32599	32.7
475.33887	1.9
483.30948	3.9
501.32053	13.9
519.33160	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	519.3311
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
52.72828	2.4
55.05507	11.4
67.05511	14.2
67.13069	3.0
69.03418	11.2
69.03798	2.6
69.07060	8.1
70.00303	12.5
75.51778	2.7
77.91585	2.6
79.05486	12.7
81.07049	26.8
83.04939	4.4
83.08591	7.7
85.02905	9.5
91.05446	27.5
92.31975	3.1
93.07026	33.3
95.04961	8.1
95.08588	50.1
97.02865	10.0
97.06524	10.4
99.08068	14.7
105.07011	60.0
107.04910	4.5
107.08581	64.4
109.02818	5.0
109.06509	11.1
109.10126	19.5
111.04407	4.6
115.03910	12.8
115.05440	3.6
117.07035	12.8
119.08564	100.0
121.06515	18.9
121.10128	28.6
123.08067	8.8
123.11700	6.9
127.07583	4.3
128.06187	5.2
129.06981	9.6
131.08546	54.2
133.06474	8.6
133.10115	50.4
135.08035	13.1
135.11674	28.6
137.05965	10.7
137.09621	4.7
139.71503	3.0
142.07817	7.9
143.08566	21.9
144.09311	3.8
145.06490	7.3
145.10101	61.8
147.08031	23.4
147.11667	52.1
149.05960	3.7
149.09596	6.8
149.13228	10.9
151.07520	5.1
155.07011	3.1
155.08531	12.5
156.09352	8.8
157.10095	29.6
158.10869	4.4
159.08052	11.1
159.11658	42.9
161.09619	22.6
161.13223	31.2
163.07503	4.1
163.11209	8.4
163.14830	6.8
169.10112	11.4
170.10930	5.1
171.11665	27.4
172.08456	2.7
173.09618	7.5
173.13252	39.2
175.11205	9.5
175.14781	19.3
175.56801	3.4
177.09105	3.6
177.12744	3.7
181.10133	6.0
183.11664	19.5
185.09619	5.5
185.13231	33.2
187.11156	14.4
187.14804	85.5
189.12720	52.2
189.16388	11.4
191.10649	3.7
191.14334	8.5
193.09982	3.4
195.11659	7.3
197.13222	12.0
199.11209	10.1
199.14803	31.6
201.12720	24.6
201.16339	47.9
203.14261	22.0
203.17963	6.7
205.12135	18.0
205.15862	3.8
207.13701	4.4
209.13347	3.8
209.15317	3.6
211.14828	7.0
213.12694	12.1
213.16351	11.4
215.14285	44.4
217.12238	6.7
217.15891	7.8
219.13792	14.4
219.17517	4.7
221.15410	4.4
223.14810	4.2
225.16344	5.7
227.14307	6.7
227.17918	6.3
229.15904	4.2
231.13754	6.4
233.15311	8.0
237.14610	3.6
237.16591	4.0
239.17944	3.7
245.15382	10.6
247.16887	4.5
249.14859	9.5
260.86130	2.9
335.23581	5.5
347.23914	5.3
363.02448	3.4
363.26535	6.8
376.36203	4.2
383.26797	4.4
389.28339	29.0
391.29800	5.5
401.28354	9.2
407.29425	53.8
417.27881	4.6
419.29413	34.5
425.30518	18.6
435.29041	18.7
437.30450	37.1
447.28668	10.1
453.29883	37.2
455.31699	20.7
465.30032	22.1
471.30948	12.7
473.32538	8.9
483.31152	26.9
501.31906	8.5
519.32947	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	519.3317
Annotation	Presenegenin
Peak:m/z	Relative Intensity
53.03938	2.4
53.25500	2.3
55.05500	9.8
57.03407	1.9
57.07069	6.8
65.03933	2.9
67.05498	14.3
69.03411	8.3
69.07066	16.5
69.49300	15.5
69.49726	4.5
71.04987	2.7
79.05486	22.4
81.07048	34.2
83.04951	3.0
83.08594	5.2
85.02881	5.5
91.05434	25.8
93.06463	2.4
93.07037	42.8
95.04961	10.7
95.08036	3.0
95.08598	35.6
97.06521	15.0
97.10172	2.5
99.08059	7.1
105.07021	80.8
105.74178	1.8
107.04913	2.5
107.08587	51.2
109.02862	2.1
109.06489	16.8
109.10149	16.8
111.08083	3.9
115.05498	3.0
115.07552	9.6
117.07031	16.6
119.08567	100.0
121.06477	18.1
121.10134	36.7
123.04420	2.4
123.08051	12.0
123.11689	4.1
125.05977	3.7
127.03888	2.6
128.06187	4.3
129.06995	9.2
131.04924	6.9
131.07561	3.7
131.08554	77.4
133.06500	3.3
133.10107	53.6
135.08028	15.0
135.11682	12.2
137.05981	4.9
137.09598	9.7
139.03897	3.2
139.11017	2.4
142.07745	9.2
143.08530	34.8
144.09380	5.0
145.09007	4.4
145.10103	62.8
147.08035	19.2
147.11679	35.2
147.29715	2.1
149.05980	17.3
149.09618	11.5
149.13210	6.9
151.07509	3.4
155.08554	13.8
156.09320	8.0
157.10112	37.2
158.10867	7.6
159.08047	6.4
159.11678	57.8
159.12993	3.4
161.09656	14.9
161.13228	41.1
163.07491	2.6
163.11157	12.6
163.14766	17.2
165.09087	3.6
167.05516	4.0
167.06987	2.7
167.08557	2.7
167.10677	3.3
168.09288	3.6
169.10088	15.7
170.10919	5.9
171.08092	2.0
171.11671	32.4
173.09654	4.2
173.13249	96.4
175.07411	3.0
175.11203	10.1
175.14816	36.6
177.12697	9.1
177.16354	5.4
181.10097	3.9
182.10875	5.5
183.11719	18.1
185.13249	43.7
187.11183	7.0
187.14806	47.1
189.12711	20.8
189.16306	6.8
191.14282	85.7
193.15851	4.9
195.13844	3.2
197.13232	24.1
199.11163	4.3
199.14792	25.7
201.12718	17.4
201.16394	10.5
203.14302	53.7
203.17772	2.9
205.08638	2.7
205.15869	13.1
207.13756	4.2
209.13245	4.2
211.11240	2.3
211.14780	7.9
213.12711	3.9
213.16335	14.0
215.14265	30.7
215.17714	3.7
217.12384	2.9
217.15826	11.0
219.13791	24.1
219.17363	3.1
221.13422	2.0
221.15347	53.2
223.14929	4.5
225.16368	3.1
227.17995	3.1
229.15863	6.8
231.13681	4.7
231.17455	3.9
233.15312	14.9
235.13239	7.3
237.14732	4.0
239.16382	74.9
243.13763	6.9
243.17406	5.2
245.15295	3.9
247.16847	2.4
253.14305	51.0
261.14731	16.8
265.19559	3.6
279.15927	7.2
299.06015	4.2
311.66479	2.4
319.19046	2.2
357.12994	2.5
389.28400	7.9
391.29953	5.8
395.29663	3.5
401.28232	7.7
407.29343	14.9
419.29489	20.3
421.30991	3.2
423.28931	2.2
425.30481	9.6
435.28833	6.8
437.30533	35.9
443.28027	2.4
447.28894	8.2
453.30023	16.1
455.31696	27.4
457.33136	5.5
465.30118	22.9
471.30923	7.0
473.32626	58.8
475.34097	4.5
483.31100	25.8
501.32172	29.5
519.33270	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	519.3314
Annotation	Presenegenin
Peak:m/z	Relative Intensity
53.03950	0.7
55.01816	0.6
55.05496	1.7
59.04992	0.6
67.05493	3.5
69.03423	1.4
69.07061	2.3
70.95256	1.3
71.04982	1.5
79.05486	2.6
81.07043	7.5
83.04971	1.0
83.08606	2.0
85.02893	1.3
91.05414	4.5
93.07019	7.5
95.04959	2.1
95.08588	8.8
97.06524	1.1
99.08109	1.0
103.05450	0.7
105.07017	14.3
107.04949	1.3
107.08580	10.0
109.06499	2.6
109.10130	5.6
111.08072	1.5
117.07011	3.0
119.08562	21.5
121.06487	2.6
121.10123	9.9
122.03590	0.6
123.08041	3.2
123.11708	1.2
125.09593	1.3
128.06210	0.9
129.06958	3.1
129.62218	0.6
130.07748	1.8
131.08556	14.7
133.06483	1.2
133.10109	11.0
135.08008	2.0
135.11702	2.2
136.00563	0.6
136.62912	0.6
137.05949	4.7
137.09573	2.9
138.06293	0.6
142.07755	2.2
143.08519	7.0
144.09360	2.2
145.10100	50.3
147.08029	2.5
147.11667	7.0
149.06044	0.8
149.09604	4.9
149.13226	1.2
151.07509	0.9
151.11191	1.0
155.05853	0.6
155.08537	1.6
156.09354	3.2
157.10123	12.0
158.10887	1.4
159.08075	1.3
159.11671	60.2
161.05957	0.9
161.09615	7.2
161.13237	5.4
163.11134	1.6
163.14812	2.1
167.05626	1.1
167.07024	1.7
167.08403	0.6
168.09361	1.5
169.10104	6.3
170.10896	2.8
171.08211	0.7
171.11667	11.0
171.91096	0.7
173.09695	1.3
173.11723	1.1
173.13232	21.0
175.11198	3.2
175.14809	6.9
177.12720	2.0
177.16362	0.9
179.10683	1.7
181.10060	1.5
182.10902	2.4
183.10181	1.3
183.11647	9.5
185.13235	13.2
187.11163	1.7
187.14755	5.5
189.12675	3.0
189.16380	1.9
191.10553	0.7
191.14264	5.9
193.12289	1.0
194.10931	1.0
195.11708	2.0
196.12401	1.0
197.13231	8.1
199.14795	5.7
201.12701	19.0
201.16353	4.0
203.05328	0.8
203.14287	17.5
203.17871	1.2
205.15819	1.7
207.11856	1.0
207.13834	1.1
209.13205	3.7
211.14822	7.0
213.16402	2.4
215.14294	2.2
217.15816	1.1
219.13875	0.9
219.17352	3.8
221.13353	0.9
221.15315	3.5
223.14783	2.7
225.16423	1.2
227.17761	1.4
229.15858	1.8
231.17387	3.5
233.15518	0.9
235.14725	1.5
237.16420	1.7
239.16318	10.1
247.13268	3.8
249.16322	1.2
249.18526	1.5
251.17921	4.1
259.07816	1.2
265.14340	4.6
267.19574	1.3
299.06198	0.9
343.24136	0.7
344.28082	0.7
347.12585	1.0
357.18753	3.0
370.82620	0.7
401.28299	1.6
407.29498	1.1
419.29428	3.3
437.30289	3.5
439.31924	1.7
455.31506	79.8
456.31750	1.7
457.33072	17.2
465.29907	1.0
471.31027	3.6
473.32947	4.2
483.30960	2.4
487.21561	4.5
491.09869	0.8
501.24423	0.9
501.32083	18.8
519.23981	100.0
519.32941	34.9
520.24390	6.0
520.32104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
56.10147	0.6
57.03429	0.9
61.02915	0.7
67.05500	4.4
69.03416	1.7
69.07059	2.7
70.18977	2.3
71.04976	0.9
77.35067	0.6
79.05478	3.1
81.03411	0.8
81.07055	8.1
83.04959	1.2
83.08605	1.2
85.02888	1.9
85.06536	0.9
91.05422	5.2
93.07034	10.4
95.04954	2.5
95.08595	11.4
97.06522	2.7
97.10121	0.6
99.04474	0.7
99.08077	1.7
103.05449	0.8
105.07018	19.2
107.04943	0.7
107.08578	14.1
109.06506	2.9
109.10145	8.0
111.08092	1.5
117.06992	3.7
119.08568	24.5
121.06496	3.4
121.10120	11.6
123.07256	0.6
123.08028	3.6
123.11709	1.9
125.09599	1.3
128.06139	1.0
129.06978	2.7
130.07762	2.3
131.08554	16.8
133.06490	1.4
133.10124	14.2
133.11032	0.4
135.08067	2.4
135.11656	5.1
137.05971	4.8
137.09592	4.0
139.07468	0.7
142.07800	2.9
143.08549	10.0
144.09348	3.4
145.10106	63.5
147.08038	2.7
147.11667	8.0
149.09581	4.3
149.13219	2.0
151.07524	1.1
151.11160	1.5
155.08569	2.7
156.09352	3.7
157.10118	16.5
158.10916	2.1
159.11676	75.6
161.05934	1.3
161.09605	9.4
161.13245	6.4
163.03838	0.6
163.11192	2.8
163.14793	3.5
167.05647	0.8
167.07039	2.3
167.08548	1.8
167.10712	0.8
168.09381	1.9
169.10104	8.5
170.10901	2.4
171.11652	11.5
173.09607	2.2
173.11714	1.4
173.13239	28.2
174.13754	0.7
175.07503	0.8
175.11240	3.4
175.14818	7.3
177.12744	2.0
179.08385	0.8
179.10709	1.7
181.10112	1.2
182.10889	4.2
183.10190	1.3
183.11668	12.2
184.12381	0.8
185.09622	1.1
185.13234	17.9
185.14807	1.0
187.11197	2.3
187.14810	8.3
189.12762	3.1
189.16397	1.7
191.14252	7.1
191.18005	1.0
193.10136	1.0
195.11700	3.6
196.12456	1.4
197.13242	10.6
199.11201	1.2
199.14806	7.2
201.12723	25.8
201.16385	6.2
203.14296	24.0
203.17934	1.4
204.06587	0.9
205.15916	1.8
207.11772	1.1
207.13710	0.7
208.12474	0.7
209.13322	4.5
210.13881	0.9
211.14769	7.1
213.16359	3.9
215.14279	2.3
215.17958	0.9
217.15927	2.2
219.13867	1.4
219.17441	4.4
221.13361	1.4
221.15277	4.9
222.13875	1.0
223.14810	1.8
225.16353	1.9
227.14384	0.7
229.15843	2.4
231.17403	3.5
233.15451	1.4
235.14897	0.9
235.17021	0.7
237.16393	1.8
239.16277	10.5
239.20116	0.7
243.17584	0.7
245.15369	0.8
247.13231	5.2
247.17023	1.3
249.16338	0.7
249.18507	2.4
251.17998	5.6
253.19609	1.5
261.14743	1.2
265.14240	5.6
265.19598	1.1
267.19547	1.3
299.06204	1.7
347.12549	0.8
357.18857	1.6
383.26929	0.7
389.28479	1.1
401.28342	2.6
403.29745	0.7
407.29510	1.3
419.29465	4.7
421.30835	1.2
437.30438	6.3
439.31967	1.7
447.28699	1.1
453.30252	1.0
455.31537	100.0
456.32159	2.1
457.26770	1.3
457.33115	20.6
458.33328	0.8
465.30051	1.6
471.31000	7.1
473.32718	6.7
483.31238	1.7
487.21411	4.2
501.32065	21.4
519.24060	71.3
519.33044	49.2
520.24542	5.3
520.32080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01854	1.8
55.05515	3.2
56.05035	4.2
57.84355	0.6
58.99580	11.7
61.01125	0.6
65.03925	0.6
67.05172	0.6
67.05499	10.9
68.05015	1.5
69.03419	4.1
69.07051	2.0
69.92352	1.5
69.92768	2.3
70.02932	1.1
71.04971	2.3
73.01126	1.0
74.00661	1.4
76.02222	29.2
76.03986	2.6
79.05494	6.2
80.04986	1.3
81.03393	1.4
81.05766	0.7
81.07050	17.4
83.04961	2.2
83.06087	2.5
83.08594	2.0
84.04494	8.3
85.01115	2.0
85.02896	3.0
85.06520	2.4
86.00651	4.9
86.09692	1.1
86.99038	5.9
87.02680	1.5
87.03882	0.6
88.02214	2.8
91.05443	6.5
93.07038	13.8
94.06548	1.6
95.04941	2.1
95.08592	6.4
97.01114	6.1
97.02874	1.5
97.06515	3.1
99.02696	1.1
99.08081	1.3
100.02149	0.9
101.04213	0.7
102.05547	4.3
105.07024	5.9
107.04962	1.3
107.08573	8.7
108.08099	0.9
109.02882	0.8
109.06491	2.2
109.10158	2.9
111.02671	4.9
111.08080	2.0
112.03932	0.8
113.04229	0.9
114.03728	1.7
116.01666	22.2
117.07005	3.6
119.08575	4.9
120.08090	0.9
121.10139	5.7
123.02638	1.8
123.08102	0.9
123.11705	1.2
127.03873	1.5
129.06577	3.9
130.04973	4.2
131.08569	5.8
133.10123	6.4
135.08040	1.9
135.11694	4.4
137.04196	1.6
137.05962	4.0
139.03896	1.8
141.04822	0.8
142.03207	3.7
143.02771	1.5
143.08516	0.7
144.01140	7.9
145.06099	0.9
145.10109	2.8
147.11699	2.2
149.09608	0.8
149.13242	6.7
151.05774	0.8
151.11185	3.4
157.10146	0.7
159.11671	6.2
161.13266	2.1
162.02194	20.4
163.03896	0.8
163.07454	0.7
163.11183	1.5
165.07314	1.4
167.07047	0.8
170.02750	1.7
171.11604	0.7
173.13235	2.6
177.12740	4.6
179.04834	18.6
183.08295	1.2
187.05365	1.1
189.03349	1.7
191.10530	0.7
191.14301	2.5
194.15388	2.2
195.13797	6.7
200.03745	0.7
201.12730	0.9
201.16356	2.0
206.15483	1.0
207.11847	1.0
209.15349	1.6
212.16508	3.1
213.13023	0.6
213.14771	3.3
215.04868	1.3
218.15434	1.3
219.10110	0.7
219.13824	0.8
219.17503	2.0
223.11446	0.9
224.16447	2.1
225.13126	1.1
226.12538	2.7
233.05885	1.8
235.11438	1.3
236.16463	1.6
244.13588	1.5
245.05968	2.2
252.14119	8.9
252.16264	1.0
253.12541	2.6
270.14926	16.4
271.13565	0.9
288.16226	18.4
291.06650	0.7
298.14618	1.8
299.06000	0.7
300.06339	1.1
308.08978	2.1
312.12701	2.1
324.18045	1.0
327.17404	1.2
355.16879	2.9
356.15149	1.2
373.17892	100.0
374.18222	2.6
391.18860	7.1
427.19092	1.4
445.19992	6.1
472.31265	0.9
502.22421	3.5
502.33029	1.2
520.23352	11.5
520.33826	1.1
521.21863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01860	0.6
55.05506	5.7
57.03434	6.1
57.07035	0.6
60.04510	0.9
61.30422	0.5
65.03919	1.2
67.05497	25.0
68.98376	0.4
69.07059	7.1
70.70181	1.4
71.04981	0.8
74.91171	0.4
79.05486	13.6
81.07048	21.0
83.04945	0.8
83.08607	2.0
86.09689	0.4
88.03978	6.0
91.05458	7.3
93.06464	0.8
93.07037	15.0
95.04951	1.8
95.08598	17.1
97.06501	0.9
97.10133	0.8
98.98450	3.9
100.87807	0.4
105.07024	4.9
106.04986	0.9
107.08582	5.8
109.06499	0.9
109.10139	6.5
117.07017	1.5
119.08575	2.7
120.33793	0.4
121.10122	4.6
123.11695	1.4
124.93773	0.7
131.08540	2.6
133.10144	2.3
135.11659	2.6
137.13208	0.6
145.10127	1.3
147.11667	1.2
149.13228	1.3
159.11688	0.6
161.13243	1.0
163.14723	0.5
173.02061	1.2
173.13234	1.0
184.07356	0.8
187.14539	0.4
208.47687	0.5
261.22153	1.3
295.34177	0.5
335.25760	100.0
336.25986	1.3
348.25339	1.8
422.86261	0.5
507.56564	0.5
520.23834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.1
57.07061	1.6
67.05507	2.1
69.03066	1.9
69.03426	31.3
69.07068	2.7
69.31406	10.5
70.06592	1.3
71.04994	2.3
73.02906	1.9
77.53770	0.9
79.05494	2.8
81.07046	4.6
83.04979	2.0
85.02906	7.6
85.06547	1.6
91.05421	1.2
93.07034	2.3
95.08602	5.8
97.02892	3.5
97.06556	1.8
99.04362	1.0
105.07025	2.6
107.08585	9.7
109.06511	3.8
109.10152	2.6
111.08067	2.5
115.03929	1.6
119.08579	3.5
121.06496	2.0
121.10132	7.7
123.08027	2.1
123.11704	4.7
125.09621	16.5
127.03938	1.8
131.08548	4.8
133.04999	1.3
133.10135	4.5
135.08086	6.6
135.11708	3.8
137.05984	3.6
138.06297	1.3
145.04990	1.7
145.10143	3.0
147.11705	2.7
149.09636	4.6
149.13252	2.8
153.09041	6.1
158.10910	2.5
159.11649	2.1
163.11182	2.5
163.14854	3.4
165.12733	2.5
173.13274	17.3
191.14296	55.3
192.14745	1.0
195.08511	1.0
209.15352	100.0
223.06631	1.0
303.05020	1.8
315.05118	1.7
333.57043	1.1
374.08453	1.9
456.31516	1.2
520.24536	37.1
521.24805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
57.03418	2.1
59.04991	0.8
62.99751	0.5
63.32216	0.5
67.05489	2.1
68.41673	0.4
69.03424	29.8
69.07061	2.3
70.32369	0.8
70.32762	1.2
71.04993	1.0
76.02212	1.0
79.05485	1.6
81.07047	3.3
83.04954	1.6
83.08639	1.0
85.02475	0.6
85.02907	5.7
85.06527	1.7
87.04456	4.1
91.05469	1.7
93.07023	1.8
95.04936	0.4
95.08603	5.1
97.02898	5.8
97.06501	2.2
105.07028	2.4
107.08593	8.8
109.06493	4.7
109.10142	2.2
111.08058	1.4
115.03926	6.6
119.08615	2.3
121.06481	1.1
121.10123	5.8
123.08038	1.9
123.11691	3.6
125.09619	12.2
129.06992	0.5
131.08554	3.6
133.04958	5.2
133.10132	3.7
135.08057	7.6
135.11693	3.0
137.05969	1.2
137.09622	0.8
143.08537	0.8
145.04958	0.8
145.10117	1.7
147.11667	1.5
149.09612	3.2
149.13220	2.2
151.11140	0.8
153.09113	4.9
158.10936	2.3
163.11157	1.2
163.14790	3.2
165.12749	1.6
169.05040	0.5
173.13242	12.4
176.11914	0.5
191.14296	49.1
192.14818	0.6
203.01656	0.5
209.15352	100.0
210.15681	1.0
222.22122	0.6
227.07100	0.5
288.16336	0.6
303.04980	0.8
309.46848	0.5
360.10083	0.5
373.18216	2.6
519.89233	0.5
520.24646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01862	4.9
55.05495	3.7
57.03435	8.6
57.07084	1.2
59.04999	1.3
61.02909	4.6
61.63687	1.2
63.72700	1.0
63.73041	0.9
65.03886	0.9
67.05499	5.2
67.87748	1.0
69.03425	14.2
69.07065	5.4
69.51656	1.4
69.51998	8.3
71.01343	1.8
71.04988	5.3
73.02907	10.8
79.05479	5.9
81.03415	3.7
81.07057	8.6
83.04974	1.8
83.08595	3.0
85.02412	1.7
85.02898	27.4
85.06532	6.2
87.04448	3.0
91.05452	11.0
93.07032	10.4
95.04948	2.4
95.08604	9.8
97.02882	17.7
97.06541	7.0
99.04465	1.7
99.08106	1.9
103.03924	1.3
105.07020	28.4
106.07340	1.1
107.04910	1.2
107.08585	16.1
109.02865	2.0
109.06490	3.0
109.10143	7.9
111.08055	2.1
115.03915	9.3
115.05511	1.4
117.06972	2.7
119.07769	1.6
119.08574	22.7
120.08885	1.8
121.06473	1.8
121.10128	15.1
123.04455	1.5
123.08034	2.2
123.11684	3.4
125.09634	2.9
127.03899	10.7
129.07025	1.2
131.05019	1.0
131.08559	23.0
133.04999	7.6
133.10118	51.5
134.10579	1.5
135.08032	4.8
135.11658	2.6
137.05916	1.9
137.09573	1.3
143.08488	3.0
143.10652	2.8
144.08995	1.4
145.04953	10.0
145.10104	12.7
146.10396	1.5
147.04407	2.5
147.08064	1.2
147.11673	55.4
149.09576	3.2
149.13237	4.4
155.08527	1.5
157.10062	2.3
158.10811	4.0
159.11655	4.1
161.13208	1.5
163.03908	1.8
163.06015	2.0
163.11177	1.2
163.14810	3.3
167.05528	1.1
167.14290	7.0
171.11705	1.1
173.13252	60.7
174.13596	1.4
175.11157	2.0
175.14813	33.8
177.05487	1.2
183.11594	1.2
185.13246	1.2
187.14777	2.8
188.15170	1.7
189.12714	2.5
191.14291	100.0
193.12204	2.5
199.11194	1.3
199.14873	1.6
201.12621	0.9
201.16318	2.9
208.44743	0.9
209.15292	1.1
211.13196	7.1
211.14937	1.1
216.14612	1.2
219.17442	3.9
241.07123	1.6
259.08047	2.3
277.09076	1.1
291.15994	1.2
300.06424	1.2
321.26666	0.9
367.22733	1.2
385.09912	1.1
390.28595	1.4
408.29919	1.5
420.29529	1.8
438.30936	1.3
454.30231	1.4
466.30124	1.5
474.32904	1.2
484.31403	1.9
484.63092	1.0
502.32407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84550	0.9
53.03929	1.3
55.01867	5.3
55.05494	5.3
57.03434	8.8
57.07061	1.2
57.79601	1.0
59.05001	1.5
61.02912	3.0
67.05489	5.4
68.82223	1.1
69.03422	18.0
69.07057	6.8
69.88392	4.5
69.88808	2.3
71.01337	1.3
71.04970	3.7
72.03895	0.9
73.02910	16.3
79.05488	5.1
81.03413	2.9
81.07066	8.6
82.07336	1.0
83.04964	1.4
83.08582	1.6
85.02898	35.6
85.06515	4.2
87.00837	1.8
91.05451	10.2
93.07040	12.0
95.04968	2.9
95.08620	8.0
97.02894	20.3
97.06508	4.6
97.10148	1.0
99.04432	1.4
99.08094	1.6
103.03928	1.9
105.01852	4.3
105.07022	38.2
107.08593	15.7
109.02859	3.0
109.06491	2.1
109.10150	6.5
111.08087	1.2
115.03910	9.7
115.05475	1.1
117.06987	3.3
119.08568	28.2
120.08102	1.5
120.08914	2.6
121.06516	1.4
121.10137	14.8
123.08060	2.6
123.11674	2.6
125.09626	1.4
127.03914	12.2
129.06985	1.8
131.08559	27.6
132.08928	1.2
133.04964	10.2
133.10121	28.9
134.10487	1.5
135.08051	3.8
135.11711	4.7
137.05937	2.4
139.03822	1.5
142.07797	1.1
143.08551	4.1
143.10677	1.2
144.09189	1.5
145.04933	10.4
145.10118	15.5
146.10506	1.4
147.11673	100.0
148.11990	1.9
149.00034	0.9
149.09627	2.3
149.13234	2.7
150.90158	0.9
156.09268	1.1
157.10092	3.1
158.10713	1.9
159.11691	4.1
160.12032	1.3
161.05843	1.2
161.09683	1.8
161.13243	3.4
162.13582	1.2
163.03938	1.7
163.05975	2.8
163.11136	2.3
163.14833	1.8
167.05536	1.6
167.14240	1.5
169.10135	1.4
171.11633	3.1
173.13251	58.3
174.13618	1.0
175.14813	50.0
185.13205	3.7
187.14824	3.8
188.15182	1.1
189.12781	1.6
191.14297	88.8
192.14653	1.6
193.04959	1.1
199.14798	2.1
201.12648	2.2
201.16374	4.0
203.14319	1.2
209.15388	5.3
211.14644	1.1
213.12552	1.3
219.17433	2.3
223.05925	2.0
239.16403	1.8
241.06947	2.2
259.08096	2.9
300.06012	0.9
390.28467	1.5
408.29752	1.4
420.29947	2.0
420.35120	1.3
456.31747	1.7
457.32657	1.4
466.30453	1.6
484.31314	1.6
502.32230	3.7
520.33405	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	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79027	0.1
55.05497	0.3
56.05016	0.6
57.03411	0.1
58.06314	0.1
58.06625	0.4
59.07126	0.1
59.07396	0.2
60.08156	5.9
67.05492	0.6
69.07060	0.3
69.63268	0.1
69.63668	0.4
70.06600	0.1
71.07363	2.4
79.05468	0.1
81.07046	0.5
83.08593	0.1
86.09694	29.1
87.10013	0.1
89.36616	0.1
91.05452	0.1
93.07018	0.2
95.08598	0.4
98.98448	2.5
104.10733	2.9
105.07062	0.1
107.08595	0.1
109.10124	0.1
124.99986	19.0
128.63107	0.1
143.01013	0.2
166.02618	0.1
184.07315	100.0
185.07686	0.3
258.11041	0.2
337.27264	0.1
502.32935	1.2
520.33948	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	520.3393
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05503	1.2
56.05024	1.3
57.03433	0.4
58.06566	1.5
59.07368	0.5
60.08157	16.0
64.17022	0.2
67.05495	2.7
69.07045	0.9
70.75036	0.8
71.07365	5.7
79.05479	0.9
81.07047	2.8
83.08630	0.2
86.09696	48.0
91.05457	0.4
93.07032	0.7
95.08594	2.0
98.98457	3.3
104.10732	96.5
105.06997	0.3
105.11066	0.3
107.08601	0.3
109.10108	0.5
124.99991	27.2
163.01532	0.7
184.07320	100.0
185.07664	0.3
258.11041	1.2
337.27121	1.1
443.25385	0.4
502.32889	9.4
520.33942	40.5
521.34216	0.7
538.31055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80777	2.4
55.05505	10.1
57.07048	3.0
67.05492	10.9
69.03423	7.6
69.07063	12.9
69.73455	16.8
78.14780	2.1
79.05486	20.0
81.07050	27.3
83.04969	8.1
83.08609	5.0
85.02950	2.8
86.59152	2.2
91.05465	29.1
93.06527	3.7
93.07050	35.3
95.04950	7.7
95.08601	39.1
97.06541	4.4
97.10181	2.6
98.21145	8.1
99.04470	2.3
99.08082	32.8
105.07022	67.6
107.04932	2.8
107.08590	55.2
107.24019	2.7
109.06523	4.4
109.10160	19.2
111.08096	4.1
113.05979	5.1
115.05479	3.3
117.06989	12.8
119.08572	100.0
121.06506	7.1
121.10134	31.4
123.08087	6.7
123.11734	5.4
128.06223	3.5
129.06992	7.0
130.07770	3.3
131.08562	61.3
133.06425	6.0
133.10129	54.9
135.08012	6.9
135.11690	27.9
137.05994	8.3
137.09630	3.1
141.77667	2.3
142.07841	4.6
143.08560	23.0
145.10118	58.8
147.08054	14.2
147.11691	56.4
149.09579	3.6
149.13243	9.6
154.47763	2.6
155.08563	10.5
156.09331	6.8
157.10106	27.9
159.08058	5.6
159.11681	47.3
161.09628	18.0
161.13254	21.6
163.11151	2.6
163.14839	9.7
169.10098	11.0
170.10902	4.3
171.11664	23.0
173.09596	4.7
173.13243	42.3
175.11206	7.5
175.14815	38.5
177.12741	4.5
177.16393	6.6
179.14336	3.5
183.11757	12.8
185.13255	38.9
187.11159	6.6
187.14807	64.2
189.12695	26.1
189.16312	12.0
191.14326	8.3
193.15834	21.2
195.11757	4.1
195.13651	3.4
197.13237	11.4
199.11427	3.2
199.14830	16.8
201.12717	10.2
201.16379	50.1
203.14290	41.9
203.17982	7.8
205.15915	4.2
207.11777	3.2
207.17520	3.1
209.13304	5.0
211.14801	9.2
213.12810	2.5
213.16393	11.6
215.14334	19.1
217.15833	8.6
219.13817	7.4
219.17467	9.9
221.15309	23.4
223.14778	3.5
225.16299	3.0
227.17964	3.9
229.15959	14.9
231.17361	3.1
233.15332	3.4
237.14803	7.5
247.16924	5.4
321.22037	3.5
331.24203	3.8
337.25308	4.6
349.25406	5.0
371.14978	3.5
373.28937	3.6
391.30084	23.6
403.30035	17.3
409.31006	39.6
421.30939	22.5
431.29437	3.5
437.30722	12.4
439.32071	15.1
449.30664	12.9
455.31625	21.4
457.32904	8.1
458.84592	2.8
467.31439	15.0
474.94168	2.7
485.32538	40.3
503.33200	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	521.3468
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
55.05508	10.5
57.03430	3.3
60.14751	1.8
60.90887	1.9
61.59010	1.8
67.05499	10.0
69.07046	7.3
69.63992	2.1
69.64307	14.6
71.04992	2.3
76.65694	1.7
79.05495	8.3
81.07056	16.9
83.04975	14.0
83.08614	4.4
85.02888	2.9
91.05453	9.1
93.07028	18.7
95.04946	3.5
95.08601	19.8
97.06518	6.2
97.10121	3.1
98.20734	3.9
98.21320	4.8
98.98424	1.8
105.07021	24.8
107.08578	19.1
109.06496	5.5
109.10106	12.0
111.08078	3.0
114.13839	1.8
115.05401	2.8
117.06988	4.7
119.08577	35.8
121.06473	5.7
121.10152	15.4
123.04380	3.5
123.08051	4.3
123.11694	2.9
125.09594	2.8
128.06273	2.0
129.06996	4.2
131.08571	12.9
133.10118	18.8
135.08017	4.5
135.11661	8.9
137.05980	2.0
137.09579	3.8
139.03958	1.8
142.07668	3.6
143.08548	13.7
145.10112	22.8
147.08017	3.7
147.11671	11.8
149.09613	5.3
149.13228	5.0
151.07460	2.1
151.11192	2.8
155.08557	2.0
156.09300	2.6
157.10129	14.5
159.11691	17.1
161.09575	5.2
161.13237	7.2
163.11194	1.8
163.14813	5.0
167.10725	1.7
169.10191	2.7
170.10944	3.3
171.11691	7.6
173.13246	20.9
175.11197	4.3
175.14804	24.9
177.12717	4.0
177.16270	3.6
183.11667	7.6
185.13235	55.6
187.11147	2.4
187.14828	13.3
189.12741	3.8
189.16350	3.9
191.14279	13.5
195.11711	3.6
197.13222	5.0
199.11238	1.9
199.14848	15.7
201.12730	4.1
201.16359	10.5
203.14313	66.0
204.14636	1.9
205.15770	3.2
211.14915	2.2
213.16344	5.3
215.17818	2.7
217.15848	5.7
221.15289	10.1
229.15976	2.2
231.13690	2.6
233.15187	2.1
239.16292	18.9
245.15195	2.3
249.14839	28.5
253.19566	2.8
275.20099	7.2
285.10080	2.8
287.20120	1.9
323.22220	2.9
349.23605	12.6
350.76025	1.8
403.29819	4.6
421.31161	12.5
439.32083	11.6
449.30249	8.7
457.33102	100.0
458.33322	4.9
467.31427	6.6
485.33099	10.3
503.33725	56.8
504.33755	4.8
521.25653	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	521.3471
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
51.90353	2.3
55.05500	5.6
57.07074	2.7
65.04296	2.1
67.05494	14.8
69.03413	3.3
69.07048	9.0
69.47111	6.8
69.47520	11.8
79.05485	17.3
80.91735	2.1
81.07043	28.2
83.04951	4.2
83.08606	4.1
85.02892	3.5
85.06513	4.2
91.05454	29.2
93.07030	37.8
95.04942	7.3
95.08595	37.6
97.06541	5.0
97.10155	3.3
99.08079	13.9
105.07019	62.0
107.04937	2.5
107.08580	47.5
109.06505	7.3
109.10147	19.5
113.05967	4.3
117.07001	15.5
119.04962	3.2
119.08566	100.0
121.06483	11.0
121.10136	23.6
123.08055	6.2
123.11645	6.1
128.06221	4.4
129.06978	8.1
130.07764	3.1
131.08556	61.9
132.08870	2.2
133.06491	3.8
133.10112	56.2
135.08034	9.0
135.11664	16.0
137.05977	6.5
137.09595	3.7
142.07777	5.2
143.08540	17.2
145.06464	3.8
145.10117	49.9
147.08034	13.3
147.11676	50.6
149.09627	5.3
149.13235	12.7
151.11177	3.2
153.01767	3.1
155.08539	5.9
156.09332	7.6
157.10080	21.8
158.10886	4.2
159.08031	4.7
159.11678	48.2
161.09596	16.3
161.13235	22.8
163.11177	4.2
163.14838	7.9
167.08421	2.3
168.09357	3.3
169.10147	8.7
170.10983	3.5
171.11678	18.0
173.09625	5.4
173.13240	38.7
175.11179	8.8
175.14775	29.0
177.12743	5.5
177.16316	5.3
179.14348	4.1
181.10164	4.3
183.11693	12.8
185.13231	34.4
186.13719	3.2
187.11177	6.5
187.14803	60.4
189.12714	43.7
189.16347	14.0
191.14326	10.8
191.17929	4.4
193.15791	6.8
195.11792	4.8
197.13257	13.4
199.11232	3.0
199.14865	14.7
201.12724	13.7
201.16364	50.8
202.16682	2.5
203.14290	35.0
203.17905	25.1
205.15891	5.4
207.13651	14.1
207.17415	3.7
209.13251	3.7
211.14778	8.2
212.60796	2.4
213.12738	2.4
213.16386	12.5
215.14293	17.7
215.17834	2.2
217.15782	10.5
219.13829	10.3
219.17361	11.6
221.15305	29.2
225.16327	5.3
227.17821	4.0
229.15878	10.6
229.19576	3.6
231.17410	3.3
237.14835	7.7
241.15863	3.1
245.15398	4.5
247.16933	6.3
259.17221	2.8
319.24176	3.1
327.11948	2.8
328.09888	2.2
337.25137	4.1
349.25238	3.1
373.28745	3.6
385.28781	3.3
391.29849	25.6
393.31448	3.6
403.29825	17.2
409.30981	31.7
410.31348	3.2
421.31152	18.5
423.32318	4.0
431.29465	3.9
437.30356	15.4
439.31946	13.2
441.33627	2.7
449.30511	15.4
455.31339	14.9
457.33170	6.1
467.31598	19.5
485.32687	34.5
503.33414	2.6
521.20813	5.4
521.34613	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	521.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.05508	19.5
57.03419	4.7
57.07069	6.6
67.05513	26.8
69.03427	31.0
69.07063	33.4
70.52886	9.7
70.53294	9.9
71.04987	7.3
73.62326	4.8
79.05482	23.8
81.03372	7.5
81.07050	59.0
83.04989	8.4
83.08604	9.8
85.02883	9.2
85.06507	9.5
87.04473	6.0
91.05466	33.4
93.07040	69.2
94.07345	5.1
95.04964	18.9
95.08598	57.5
97.02879	9.2
97.06491	10.4
97.10147	4.5
98.20995	7.9
99.04459	11.6
99.08099	31.2
103.05482	5.2
105.07017	86.5
107.08588	82.7
108.08928	10.7
109.02831	5.1
109.06510	10.7
109.10162	29.3
115.05431	4.6
117.07018	15.2
119.08576	100.0
121.06486	9.6
121.10139	47.8
122.10474	5.5
123.08090	10.2
123.11715	13.8
127.03917	8.3
129.06993	14.2
131.04938	6.1
131.08554	75.9
133.10118	84.0
134.10489	8.6
135.07996	8.8
135.11696	21.7
136.11992	4.2
137.05952	11.2
142.07747	9.6
143.08562	25.4
145.10123	77.1
147.04317	6.4
147.08046	12.6
147.11678	76.6
149.09668	6.8
149.13243	21.9
151.11165	4.3
155.08524	6.2
156.09341	9.1
157.10138	36.9
158.10889	8.0
159.08034	6.0
159.11711	49.1
161.05891	4.0
161.09622	11.1
161.13295	25.5
163.07555	8.9
163.14807	14.7
164.15176	8.5
169.10130	17.3
170.10936	4.5
171.11674	20.5
173.09660	7.6
173.13251	61.7
174.13576	11.4
175.11240	7.7
175.14778	30.1
177.16393	5.5
182.10905	6.3
183.11664	17.1
185.13255	32.3
187.11258	5.5
187.14801	64.2
189.12749	19.8
189.16415	11.0
191.14273	41.9
192.14624	24.4
193.15919	17.0
195.11798	5.0
195.13747	5.7
197.13258	15.1
199.14769	27.8
201.12709	11.4
201.16393	67.6
203.14305	45.8
203.17987	5.9
205.15814	5.7
209.13329	5.4
211.14789	13.5
213.12738	5.8
213.16397	13.3
215.14313	16.5
217.15880	10.0
219.13824	14.2
219.17386	20.7
221.15385	23.5
223.14857	5.8
229.15964	8.5
233.15407	13.7
239.18181	5.4
241.19380	4.8
244.37631	5.2
245.15602	9.1
249.14958	7.0
265.17941	6.8
277.19382	5.7
291.57132	4.7
305.25024	6.9
323.25919	7.9
324.18948	5.1
341.13773	5.4
349.25415	6.0
365.28430	8.0
367.26151	5.2
371.14847	8.5
387.28918	5.3
391.30014	13.3
403.29941	28.5
409.31015	18.8
411.28845	16.5
414.87991	5.2
421.30954	46.8
431.29230	6.3
437.30591	8.9
439.31958	14.8
441.29639	7.5
449.30283	22.4
455.31589	34.5
457.32886	6.9
467.31564	30.8
475.33835	10.1
485.26047	6.5
485.32645	85.4
503.33655	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	521.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	15.5
55.17981	6.3
63.62920	6.1
67.05493	20.2
70.89359	20.6
78.69348	7.6
79.05476	18.5
81.07056	40.2
83.08607	7.7
91.05463	24.5
93.07064	31.8
95.04966	9.0
95.08599	56.7
97.06567	10.4
97.10184	9.5
99.08118	8.9
105.07021	51.7
107.04947	7.7
107.08564	54.9
109.06462	13.3
109.10143	28.5
109.69440	6.1
117.07003	17.7
119.08580	91.4
121.10134	34.6
123.11746	8.5
129.06978	7.3
131.08554	39.9
133.10110	40.7
135.08075	10.0
135.11687	19.1
137.09619	8.1
143.08534	32.6
145.10101	56.4
147.11717	38.1
149.09637	9.3
149.13306	9.4
155.08452	8.1
157.10118	29.4
159.11710	40.8
161.09636	12.0
161.13249	20.9
163.03925	8.9
163.14822	8.8
166.37657	7.2
171.07999	7.1
171.11656	24.9
173.13214	40.1
174.13483	8.1
175.14803	27.2
177.12683	10.4
183.11691	10.5
185.13272	39.6
187.14815	53.7
189.12711	11.6
189.16354	14.2
191.14125	7.4
197.13239	12.4
199.14812	27.2
201.12718	12.1
201.16330	32.6
203.14359	35.4
203.17773	8.9
205.15901	8.3
209.13254	8.1
211.14861	13.5
213.16336	16.9
217.15857	14.4
219.13693	8.8
221.15385	17.7
239.18103	7.3
261.16122	8.8
373.28232	7.4
391.29700	16.2
403.30042	14.5
409.30682	18.9
421.30719	28.7
437.30923	7.5
439.31961	22.5
449.30243	14.2
455.31537	100.0
457.33099	40.2
467.31454	16.6
475.34195	22.1
485.32483	46.0
501.61368	7.1
503.33987	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	521.3472
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
53.03950	1.6
55.01861	1.8
55.05508	10.2
57.03420	1.8
57.07070	3.0
59.04987	1.6
67.05492	8.2
69.03425	5.9
69.07062	11.0
69.45362	10.9
71.04980	3.5
75.96285	1.2
79.05481	12.8
81.03410	2.5
81.07045	26.7
83.04971	5.3
83.08611	9.2
85.02897	6.9
85.03344	1.2
85.06527	2.0
91.05456	13.8
91.05908	1.3
93.07032	28.8
95.04977	7.9
95.08592	21.0
97.02872	5.0
97.06521	6.7
97.10151	1.8
98.20618	1.4
99.04478	2.3
99.08071	2.5
103.05433	1.3
105.07022	33.2
107.04931	2.3
107.08578	32.7
109.02863	1.8
109.06487	8.6
109.10136	18.1
111.08064	5.8
111.11712	2.0
113.05964	1.2
117.06974	6.5
119.04948	1.4
119.08566	47.8
120.08910	1.2
121.06510	6.2
121.10123	28.6
123.08036	6.9
123.11717	4.6
125.09576	2.6
127.03912	4.3
128.06221	1.7
129.07025	3.8
131.08556	18.3
132.08917	1.5
133.06479	3.9
133.10110	24.9
134.10442	1.7
135.08035	8.9
135.11674	9.7
137.05994	3.8
137.09602	7.5
139.03900	3.3
139.07494	1.7
142.07761	1.8
143.08540	11.9
145.06468	1.9
145.10097	26.0
147.08055	4.6
147.11671	14.7
149.09596	11.8
149.13293	4.5
151.04015	1.6
151.07539	3.6
151.11220	1.8
153.09067	1.7
155.08568	3.6
156.09315	1.7
157.10112	13.9
158.10849	2.3
159.08109	1.5
159.11676	19.2
161.09586	13.0
161.13249	11.7
163.03912	2.5
163.07480	1.5
163.11176	4.2
163.14844	3.1
165.04332	1.4
165.09163	2.3
167.07050	1.9
167.10606	3.0
169.10143	5.1
170.10896	1.8
171.08095	1.8
171.11691	11.0
173.09644	4.6
173.13228	20.0
174.13686	1.4
175.11220	5.4
175.14816	20.4
177.09097	2.2
177.12718	2.6
179.10828	1.5
181.10156	1.4
183.11726	4.2
185.13254	14.2
187.11194	3.3
187.14760	12.0
188.15147	2.0
189.09117	2.6
189.12727	7.2
189.16354	12.2
191.10689	1.5
191.14255	10.2
191.17920	1.6
193.15906	4.6
195.11703	3.0
197.13284	5.4
199.11201	2.3
199.14795	11.5
201.12738	5.3
201.16380	3.7
203.14284	26.2
205.15944	6.0
207.13751	1.6
207.17464	1.4
209.13275	3.2
211.14856	3.8
211.16962	8.8
213.12802	5.4
213.16440	3.6
215.14395	3.4
217.12410	1.5
217.15866	12.4
217.90039	1.4
219.13855	2.5
219.17436	1.8
221.15201	5.8
223.14807	1.7
225.16473	1.6
227.14334	2.1
229.15749	2.2
231.13766	9.7
231.17502	1.8
235.16914	6.0
239.16241	7.4
241.15955	1.9
241.19624	1.3
245.15451	2.5
249.14799	11.8
253.19633	2.3
255.17339	2.0
257.19003	1.8
263.16391	2.9
267.15720	3.1
271.20624	2.3
299.06110	1.3
305.24771	1.6
313.10410	1.6
316.09106	1.3
389.26590	1.3
391.29892	2.6
393.31866	1.3
403.30005	4.0
409.31079	3.5
421.30890	7.5
431.29370	1.5
437.30466	1.5
439.32315	9.2
449.30261	4.2
455.31406	4.5
457.33200	18.8
467.31561	20.1
474.32990	1.7
475.34012	53.1
476.34357	1.6
485.32578	32.4
503.33719	20.9
521.21332	5.2
521.34698	100.0
522.35065	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	521.347
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
55.05501	39.7
56.73232	5.1
57.07092	5.0
59.56396	4.8
60.85350	4.7
67.05499	23.0
69.03431	9.6
69.07059	24.0
69.40968	49.5
76.63907	5.9
79.05485	26.0
81.07049	40.3
82.37722	6.1
83.04977	49.6
83.08604	17.0
91.05460	28.1
93.07050	51.3
95.04977	7.7
95.08598	56.5
97.06487	7.0
98.21021	24.2
99.08067	6.0
105.07029	66.0
107.04948	7.7
107.08579	62.5
109.06506	7.1
109.10152	36.3
109.77087	6.3
110.77201	4.8
111.04443	4.8
111.08067	6.9
117.07002	12.6
119.08574	94.1
121.06509	7.2
121.10116	34.6
123.08081	7.1
123.11635	7.4
131.08549	53.0
133.06409	8.0
133.10112	54.5
134.10457	7.5
135.07976	6.1
135.11664	18.3
143.08521	27.3
145.10106	51.9
147.08037	11.4
147.11679	28.2
149.09608	11.4
149.13281	13.8
154.33051	5.3
157.10139	25.7
159.11708	39.0
161.09567	15.5
161.13297	34.9
163.11220	6.9
163.14810	9.4
169.10158	8.2
171.11674	25.2
173.13301	41.9
175.11285	6.5
175.14870	29.6
177.12744	9.2
177.16418	9.0
183.11670	12.4
185.13277	32.5
187.14828	51.3
189.12769	54.1
189.16388	15.4
191.14221	11.7
191.17912	9.8
197.13240	15.3
199.14784	24.2
201.12703	8.2
201.16393	30.8
203.14291	24.0
203.17906	35.7
205.15826	46.4
207.11897	7.8
207.13797	16.7
213.16406	19.7
215.14339	13.4
217.15947	11.2
219.13794	9.7
221.15431	13.2
245.15234	6.2
349.23511	5.9
391.29761	12.9
403.30118	15.7
409.30862	5.5
421.30862	29.9
423.32452	7.1
437.30591	12.4
439.31943	16.3
449.30417	21.6
455.31586	100.0
457.33197	8.7
467.31699	11.1
475.34485	36.0
485.32858	46.5
503.33548	36.4
521.34564	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	521.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.05503	11.4
57.03416	2.2
57.07066	2.1
60.63575	1.4
67.01860	3.0
67.05493	9.8
68.99787	2.3
69.03426	13.7
69.07063	6.7
70.09522	1.6
71.04980	3.7
71.13578	3.7
77.03926	2.1
79.05498	11.9
81.03413	5.3
81.07051	24.8
83.04966	3.0
83.08610	4.8
85.02890	7.0
85.06546	2.4
86.09731	2.8
87.00858	2.0
87.04490	1.4
91.05466	23.1
93.07043	24.1
95.04969	10.9
95.08035	2.3
95.08604	28.1
97.02874	4.0
97.06559	3.3
98.21255	1.7
99.04457	5.5
99.08073	15.1
103.05475	2.2
105.01846	2.5
105.07019	42.1
107.04950	4.9
107.08584	38.9
109.02897	2.9
109.06500	6.0
109.10149	12.9
111.04446	2.4
111.08096	4.2
113.26103	1.6
117.07002	9.8
119.04952	6.1
119.08571	55.4
120.08917	2.1
121.06502	5.4
121.10120	18.9
123.04404	1.7
123.08062	5.3
123.11713	4.0
127.03944	5.0
129.07001	4.1
131.04930	6.2
131.08562	37.8
133.06506	3.4
133.10138	33.8
134.10489	2.4
135.08038	4.7
135.11702	12.1
137.05969	13.3
138.06277	1.6
139.03873	3.4
139.07465	2.0
142.07765	3.7
143.08553	16.5
144.09399	1.9
145.04985	3.3
145.06422	3.2
145.10115	36.8
147.04398	21.8
147.08040	5.6
147.11673	37.0
149.05988	3.0
149.09604	4.1
149.13258	8.3
151.07524	3.8
153.01814	75.9
154.02187	2.2
155.08537	4.0
156.09288	2.7
157.10115	17.2
157.47220	1.5
159.08043	2.9
159.11674	25.1
160.12003	1.8
161.05957	4.1
161.09584	5.9
161.13251	12.9
163.03920	2.6
163.07556	5.3
163.11180	2.8
163.14865	6.3
167.07065	2.7
168.09262	1.7
169.10149	5.2
170.10953	2.5
170.48830	1.5
171.02870	39.6
171.11697	13.8
172.12387	2.3
173.09656	2.6
173.13249	28.1
174.13585	2.3
175.07503	3.5
175.11148	2.3
175.14812	24.3
176.15207	2.2
177.09125	3.4
177.16328	3.6
179.06931	1.6
181.04913	1.4
181.10109	3.0
182.10866	2.8
183.11626	8.1
185.13223	23.6
187.11159	3.6
187.14781	28.5
189.09143	2.5
189.12741	10.6
189.16412	6.1
191.14302	11.8
193.15884	4.7
195.11716	5.6
197.13237	9.5
199.11145	1.9
199.14857	16.0
201.12694	5.7
201.16345	35.2
203.14307	26.0
203.17960	2.2
205.15903	3.7
207.13820	3.4
209.13229	4.3
211.14841	4.4
213.12808	2.5
213.16322	9.5
215.14333	7.1
215.17937	3.2
217.15868	5.3
219.13809	5.7
219.17345	7.1
221.13380	2.7
221.15379	12.3
223.14952	3.1
225.16458	2.1
225.82526	1.6
227.17949	3.8
229.15814	4.8
229.19357	2.8
231.17397	3.5
233.15402	3.6
235.16978	1.6
239.16228	4.1
239.18277	2.3
241.19525	2.1
243.17479	1.8
245.15298	3.2
247.17004	2.6
249.14970	4.9
251.18144	2.2
253.19522	3.3
264.58255	1.6
265.17950	3.0
267.17331	1.5
273.07547	100.0
274.07776	8.3
295.09589	1.6
319.23898	2.0
347.27148	1.8
365.28278	3.1
373.28674	2.0
374.18219	3.4
385.28867	1.9
391.30222	7.5
403.25165	2.7
403.29932	11.9
409.31161	7.1
411.28766	8.2
419.29492	2.1
421.25803	39.6
421.31049	18.2
431.29440	1.8
437.30234	5.6
439.32132	7.0
449.30548	12.9
455.31754	13.3
457.33096	21.1
459.34155	1.7
467.31573	16.2
475.34644	6.9
485.32657	32.4
503.33401	5.8
504.42984	1.5
521.19672	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	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01833	2.2
55.05507	11.3
57.03402	2.0
57.07069	25.7
67.05496	21.3
69.03394	1.0
69.07060	10.6
69.56282	6.3
71.04952	2.1
71.08624	15.3
73.02878	1.0
79.05486	21.3
81.03405	4.0
81.07048	25.4
83.04943	3.3
83.08609	14.3
85.02840	1.0
85.06503	1.1
85.10173	8.4
91.05460	7.6
93.07033	31.1
95.04964	6.9
95.08596	46.0
97.02852	3.1
97.06493	3.1
97.10153	5.2
99.04424	2.2
99.08031	0.8
103.05453	0.7
105.07018	7.7
107.04942	7.8
107.07857	1.1
107.08579	21.6
109.06487	1.7
109.10147	9.1
111.04410	1.1
111.08036	1.7
111.11674	1.1
115.05487	0.8
117.07003	7.4
119.08563	8.4
121.06488	5.3
121.10120	10.7
123.11657	2.4
125.05956	2.7
129.06985	1.3
130.07787	1.4
131.08537	2.0
133.10097	2.7
135.08031	1.7
135.11679	38.3
137.13194	1.2
139.07477	1.6
143.08507	1.4
145.10103	22.3
147.07956	0.8
147.11584	0.9
153.12709	0.9
163.11157	49.3
175.11221	0.8
181.12212	10.0
193.12259	1.9
209.11752	2.4
211.13271	1.1
227.12752	99.5
228.13141	1.3
239.23674	2.8
243.55292	0.8
521.38336	100.0
522.38800	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	0.9
55.05499	4.2
57.07050	1.2
57.09048	0.8
59.04989	0.8
61.02950	0.9
65.77776	0.7
67.05494	7.1
69.03422	2.6
69.07062	4.7
69.24599	0.9
70.63966	1.6
70.64365	1.9
71.04982	6.4
73.02894	1.3
79.05480	6.7
81.03429	1.1
81.07053	24.3
83.04984	1.5
83.08629	1.5
85.02889	9.5
85.06554	7.0
87.00828	1.9
91.05447	4.9
93.07031	14.0
95.04952	2.5
95.08601	11.2
97.02901	4.8
97.06535	2.0
98.21131	1.4
99.04438	1.2
99.08083	75.3
103.05470	0.9
105.01847	3.6
105.07020	13.7
107.08585	18.0
109.02836	1.2
109.06493	1.8
109.10145	18.5
111.08081	1.5
115.03886	1.4
119.08569	23.1
121.06448	1.2
121.10134	3.6
123.04437	1.3
123.08097	1.6
123.11706	6.3
127.03886	4.2
127.11156	5.8
131.08585	1.7
133.04938	1.6
133.09099	1.4
133.10115	29.0
135.11679	31.4
137.05984	1.9
137.09578	3.9
137.13220	1.1
141.15767	0.8
143.10663	3.1
145.04956	4.3
145.10161	2.1
147.08067	0.8
147.11687	7.9
149.13248	1.9
151.11205	1.9
153.12758	1.6
154.05032	1.5
159.08116	0.8
159.11697	1.2
161.05952	1.3
161.09671	1.1
161.13260	4.7
163.06001	2.1
163.14850	2.3
171.11623	0.9
173.13252	1.1
175.14806	7.6
189.09071	1.1
193.15865	100.0
194.16203	1.5
203.16048	0.9
203.17935	16.9
203.19727	1.4
221.18991	18.5
228.10191	2.8
249.06151	1.3
254.69585	0.8
278.64606	0.9
295.10330	1.3
342.49942	0.8
372.15097	1.2
422.31891	1.0
456.31870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22820	0.7
50.32386	0.6
53.03942	1.1
55.05510	4.0
57.03423	2.0
57.07052	1.1
59.05005	0.9
61.02910	0.8
65.03913	0.8
67.05503	6.3
69.03405	2.5
69.07060	4.0
70.66490	2.5
71.04984	5.6
73.02904	1.9
79.05492	5.6
81.03442	1.1
81.07049	24.0
83.04961	1.6
83.08591	2.3
85.02910	6.8
85.06537	7.7
86.09732	1.0
87.00813	1.5
91.05453	4.8
93.07045	13.2
94.07373	0.7
95.04968	1.7
95.08599	11.5
97.02873	3.6
97.06508	2.6
99.04417	1.0
99.08086	82.6
105.01843	4.2
105.07019	12.1
107.08588	17.3
109.02884	1.3
109.06514	1.9
109.10155	19.7
115.03910	1.2
117.06982	1.1
119.08570	21.5
121.10114	4.1
123.08049	0.9
123.11693	6.2
125.09631	1.6
127.03910	5.8
127.11176	5.5
131.08508	1.1
133.04942	2.2
133.10117	31.1
135.11684	33.2
137.05936	1.9
137.09624	5.1
137.13225	1.5
138.10423	0.8
139.03905	0.9
143.10674	2.8
145.04939	4.3
145.10126	1.2
147.11681	5.9
149.13234	3.1
151.11163	1.8
153.12732	1.7
154.04950	1.7
157.10069	0.8
159.02823	0.8
159.11656	1.1
161.13245	4.2
163.05992	2.6
163.14734	0.8
165.12801	0.9
167.07074	1.3
175.14833	8.3
177.05452	0.8
189.09122	1.2
193.15866	100.0
203.17943	16.1
221.18985	14.4
228.10187	2.8
231.04892	1.1
295.10211	1.2
372.15167	1.7
379.15076	0.8
390.15646	0.8
450.31555	0.8
523.17859	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.18438	0.3
55.05508	2.6
56.05022	1.2
57.03426	0.9
57.07062	1.0
58.06598	1.1
60.08157	18.9
61.85321	0.3
63.27978	0.3
67.05502	2.3
69.07069	2.5
69.53638	0.7
69.54042	2.5
70.06578	0.4
71.07371	6.7
79.05477	0.8
81.03388	0.4
81.07030	2.2
82.07349	0.3
83.08624	1.9
86.09696	53.3
87.10004	0.4
91.05460	0.7
93.07034	1.1
95.04988	0.5
95.08608	2.0
97.10149	0.7
98.98447	3.2
104.10732	100.0
107.08561	1.0
107.10328	0.4
109.10111	0.8
121.10129	0.8
124.99992	30.3
131.42029	0.3
135.11636	0.7
143.01041	0.6
145.10144	0.4
163.01555	0.7
172.95247	0.8
184.07323	97.7
185.07657	0.5
198.47227	0.4
251.23482	0.5
258.11081	1.0
339.28943	1.5
504.34482	8.4
522.35504	37.9
523.23364	0.7
523.35974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63363	0.1
55.05498	0.3
56.05025	0.4
57.03432	0.2
57.07066	0.2
58.06619	0.5
59.07371	0.1
60.08152	6.0
61.56274	0.1
67.05482	0.3
69.07051	0.5
70.06588	0.1
71.07359	2.6
80.97448	0.1
81.03412	0.1
81.07055	0.4
83.08607	0.3
86.09690	29.8
87.10023	0.1
87.58054	0.1
90.15125	0.1
92.74504	0.1
93.07030	0.1
95.08600	0.3
97.10140	0.1
98.98447	2.5
104.10724	2.9
105.95418	0.1
109.10164	0.1
111.11725	0.1
112.61105	0.1
119.63430	0.1
119.96848	0.1
121.10106	0.1
124.99980	20.0
135.11632	0.1
143.01019	0.3
154.94096	0.2
166.02663	0.1
172.95215	0.3
184.07306	100.0
185.07675	0.6
190.96284	0.2
258.10959	0.2
339.29044	0.1
431.55096	0.1
504.34442	1.3
522.22400	0.2
522.35382	3.3
523.35950	0.1
542.48730	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	522.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93294	1.8
53.03941	3.1
55.01858	5.4
55.05500	23.0
56.63271	1.7
57.07066	11.5
58.07389	2.5
60.37878	2.0
67.05502	30.2
69.07072	13.6
71.05000	3.7
71.08612	7.6
71.62646	3.6
71.63049	3.1
79.05486	19.4
81.03398	7.3
81.07053	29.7
83.04955	6.7
83.08602	21.5
85.06516	2.2
85.10155	3.0
87.22481	1.9
91.05466	22.1
93.07032	26.8
94.07372	1.9
95.04971	22.9
95.08599	21.8
96.08916	3.0
97.06506	7.0
97.10148	7.0
98.21217	2.2
101.21373	2.1
105.07019	25.2
107.04945	9.1
107.08601	15.9
109.06506	5.2
109.10148	8.4
111.08053	4.5
113.84241	2.0
117.07009	10.4
119.08574	21.3
119.53358	2.1
121.06514	4.1
121.10085	12.2
123.08058	5.6
123.11700	2.9
125.09590	4.4
131.08565	12.2
133.10150	17.8
135.07990	2.7
135.11684	7.1
137.09592	2.5
143.08527	2.7
145.10106	18.1
147.07935	2.7
147.11707	8.2
149.09573	14.0
149.13222	6.3
151.11159	3.1
155.08498	2.1
157.10109	3.0
159.11717	12.1
161.13243	6.1
163.11182	25.4
165.12735	3.8
169.10147	2.6
173.09558	3.4
173.13255	2.4
175.11185	2.7
177.12793	3.6
183.11707	3.0
187.11057	2.7
189.11176	4.8
193.12245	3.5
194.83945	2.2
195.13739	7.7
211.13042	2.1
223.13298	19.4
227.12801	3.3
239.18001	8.0
241.80492	1.9
257.18951	13.0
275.20044	100.0
293.21091	60.3
366.21603	2.4
395.83063	2.2
409.27646	2.2
487.34012	2.3
492.40869	2.1
522.38855	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	522.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05503	15.9
56.40696	5.1
57.03428	6.4
59.69411	4.8
61.76773	4.4
67.05506	25.7
67.32816	4.4
69.07056	17.5
69.62212	35.6
79.05479	25.6
81.07048	39.6
83.04968	13.4
83.08611	6.4
85.02880	7.1
89.33827	4.2
91.05458	30.9
93.07035	42.7
95.04938	11.1
95.08589	52.8
97.06519	5.3
99.08070	28.8
105.07008	82.8
107.08573	66.9
109.06506	10.3
109.10126	35.6
110.10513	4.0
111.08109	7.3
117.07026	10.0
119.08569	99.4
121.06505	5.6
121.10120	54.0
123.08016	6.8
123.11678	14.8
125.05952	9.8
129.06984	7.8
131.08551	68.7
133.06500	7.4
133.10112	51.9
135.08023	9.7
135.11685	40.6
137.09639	4.9
137.13260	8.5
138.30072	4.4
143.08525	18.2
145.10112	60.1
145.46393	4.1
147.11662	71.2
149.09633	8.1
149.13223	15.5
151.11168	6.8
153.70996	4.8
157.10124	23.7
159.11691	53.0
161.09637	7.7
161.13223	31.2
163.11145	17.3
163.14798	18.0
165.12756	4.5
169.10095	6.8
171.11673	18.1
173.13229	45.5
175.14799	26.1
177.12747	5.1
177.16338	15.8
179.14264	6.6
183.11719	5.9
185.13223	27.7
187.14795	72.9
189.16324	25.4
191.14259	13.1
191.17917	8.4
197.13292	7.3
199.14780	28.7
201.12677	9.8
201.16347	100.0
201.18207	5.4
203.14301	22.1
203.17978	8.4
205.15819	45.9
205.59717	5.1
207.17435	5.6
209.31105	4.4
211.14886	5.6
213.16270	17.2
215.14221	5.2
215.17941	6.8
217.15828	11.6
219.13783	12.1
219.17416	34.2
221.15318	14.9
223.16885	53.1
227.17961	8.7
245.12962	4.9
259.20590	6.0
269.10538	6.3
385.15698	4.3
387.30484	9.0
405.31451	31.1
407.32986	26.3
411.32285	6.6
423.32550	44.9
425.33914	38.2
441.33582	62.4
443.35355	6.4
451.32089	10.3
458.33331	6.4
459.34573	30.0
469.32813	18.0
487.34366	13.6
504.34262	25.6
522.34900	6.2
523.19208	22.5
523.27124	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	523.217
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.51688	0.4
53.03930	0.6
53.91384	0.4
55.01864	1.0
57.03419	0.8
69.03418	1.6
70.86488	1.0
70.86855	0.9
71.04990	0.6
73.02895	0.5
79.05471	1.8
81.03391	1.3
81.07034	0.5
83.14879	0.4
85.02895	2.7
91.05473	4.2
92.01215	0.5
93.07018	0.6
94.04176	1.2
95.04933	1.7
97.02860	0.5
103.05459	32.2
105.07031	2.8
107.04949	13.4
107.05496	0.3
107.05679	0.4
107.08609	0.6
109.06506	0.6
115.05457	1.8
117.06997	2.6
119.04913	2.1
121.06474	2.5
122.03663	2.3
127.03927	0.7
128.06200	1.1
129.07033	0.8
131.04916	51.3
133.06473	1.4
135.08011	3.8
137.05963	36.3
143.08577	1.2
145.06549	2.1
145.10025	0.4
147.04407	2.3
147.08018	1.1
149.05981	2.4
151.03922	0.6
151.07527	13.0
151.09369	0.5
159.08083	0.5
160.05240	0.7
161.05969	1.9
161.09557	0.9
162.06761	1.5
163.07529	100.0
164.08296	3.2
165.09097	1.0
171.08102	1.2
175.07515	9.7
175.11110	0.8
177.05551	1.2
177.09094	35.7
179.07022	2.2
181.08560	6.4
187.07596	0.6
189.09103	1.7
191.06996	0.8
193.08488	0.5
195.10150	4.5
201.09175	0.6
203.07022	0.8
203.10640	5.7
207.10101	1.7
217.08621	0.5
221.11713	9.6
273.11249	0.7
291.12131	0.9
299.12830	1.6
327.16055	0.7
331.15372	0.6
343.15286	0.6
345.17044	0.5
473.15161	0.5
505.18118	0.6
523.19934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
55.01852	8.5
55.05497	32.2
55.41174	5.0
57.03435	6.6
57.07051	15.8
61.22519	4.3
61.46959	5.4
67.05201	4.7
67.05498	43.0
69.03400	23.3
69.07047	50.2
70.09559	27.8
71.04970	15.1
72.07608	4.8
79.05472	32.4
81.03380	6.2
81.07041	100.0
83.04945	9.5
83.08592	23.6
85.02895	25.5
85.06529	30.8
91.05455	29.1
93.07037	57.3
95.04955	17.0
95.08589	84.9
96.08913	6.6
97.02848	11.6
97.06503	20.4
97.10167	8.8
99.08070	41.9
100.08398	12.3
105.07011	48.2
107.04905	7.3
107.08559	64.4
108.08914	6.3
109.06485	15.6
109.10130	52.1
111.08138	6.0
111.11688	10.1
117.07011	9.2
119.08549	50.5
121.06445	14.2
121.10127	43.6
123.04407	14.6
123.08031	8.3
123.11683	81.5
125.09570	6.7
127.03885	8.1
129.06993	7.4
131.08524	16.7
133.10136	35.1
134.10439	9.1
135.08014	8.7
135.11682	40.8
137.05956	44.4
137.09624	8.3
137.13229	16.7
139.03900	6.2
139.11154	11.2
139.53889	5.3
143.08536	6.8
145.10075	10.6
147.07985	6.4
147.11664	32.5
149.05942	7.2
149.13295	26.5
151.03902	5.4
151.07526	11.9
151.11142	8.6
153.12688	14.7
159.11661	13.5
161.05946	10.2
161.13269	12.7
163.07492	15.6
163.14793	11.4
165.09100	7.1
165.12766	28.9
167.07024	16.2
167.14250	7.3
169.12207	13.9
171.11731	6.0
173.13287	10.5
175.14763	12.8
177.05501	5.8
177.09181	5.8
177.16362	11.0
181.08559	16.7
187.07707	5.4
187.14746	11.4
189.12808	5.8
191.10602	6.6
193.15871	35.2
194.16159	36.4
203.14325	6.0
271.24109	17.7
277.25189	16.8
289.25192	61.4
294.08295	5.7
307.26254	75.3
325.27310	13.6
388.78647	5.9
398.19376	6.1
487.33130	6.8
523.21411	17.2
523.28625	12.9
524.20868	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69763	5.1
55.01881	6.0
55.05513	28.7
56.63786	3.9
57.03407	5.5
59.88031	3.7
67.05504	32.4
69.03428	6.0
69.07063	100.0
71.04971	10.2
71.63879	11.5
79.05481	22.1
80.67760	5.4
81.03395	5.7
81.07057	84.7
83.04969	8.6
83.08607	16.9
85.02884	10.3
85.06543	12.2
91.05483	15.5
93.07032	38.7
95.04942	12.6
95.08597	54.4
97.06518	17.4
99.08089	5.6
105.07014	25.1
107.04930	5.5
107.08585	39.4
109.06542	5.7
109.10142	49.1
111.11686	20.1
115.58252	4.6
119.08591	21.7
120.08954	4.6
121.10130	29.3
123.08029	6.2
123.11723	38.0
131.08595	9.3
133.10117	13.2
135.11688	17.8
137.05968	12.0
137.13255	10.9
139.11166	12.8
145.10104	15.6
147.08034	4.7
147.11693	17.3
149.13255	19.0
151.11153	5.6
159.11697	10.4
161.13240	9.6
163.03918	9.8
163.11215	5.9
163.14914	9.1
165.12737	10.6
167.14290	5.2
171.11719	4.9
173.13255	4.8
175.14822	8.2
177.16420	5.2
185.13150	4.7
187.14763	7.8
188.15041	6.5
189.12691	4.4
201.16405	6.2
203.17966	5.6
204.18262	6.7
257.90506	4.5
271.24237	5.8
271.86472	3.9
277.25253	10.4
289.25278	24.6
295.26239	35.0
307.26291	83.1
325.27414	14.3
383.24185	9.9
437.70532	4.8
449.39575	4.6
457.68607	4.7
524.33319	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05496	12.7
57.03428	21.8
57.06813	3.7
57.07068	43.6
60.08155	4.5
65.03897	1.9
67.05501	23.8
68.56050	2.0
69.03416	2.7
69.07047	11.5
70.22720	7.9
71.05006	2.0
71.08623	32.1
79.05492	14.8
81.03407	93.6
81.07037	27.3
83.04981	4.2
83.08604	27.5
85.02895	3.2
85.10175	20.2
86.09686	9.4
91.05462	21.3
93.07023	11.0
95.04971	23.0
95.08601	27.5
97.10146	4.9
99.09507	1.9
103.07570	3.0
104.10733	21.9
105.07014	16.5
107.04935	5.6
107.08576	7.0
109.06487	2.4
109.10130	11.5
111.08053	5.4
112.19840	1.8
112.67752	1.8
114.77785	1.8
119.08575	11.2
121.06507	2.0
121.10140	6.3
123.11690	2.0
125.00000	6.0
129.07007	7.9
131.08539	6.0
133.10089	4.2
136.00868	1.9
142.07758	2.3
147.07976	3.2
147.11687	6.6
149.09570	4.1
157.10104	7.9
158.44511	2.1
166.60458	2.1
175.11154	10.1
184.07324	22.3
193.12228	49.1
211.13248	5.9
228.52913	1.9
239.23709	6.4
249.14792	3.9
267.15887	99.7
269.29510	2.1
313.27322	100.0
314.27545	3.0
409.48398	2.2
505.38840	70.0
523.39734	15.6
524.36926	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01860	1.5
55.05256	0.7
55.05505	10.5
57.03433	5.2
57.07068	35.3
65.03941	1.0
67.05125	0.6
67.05496	22.1
69.03412	2.0
69.07058	9.9
71.04990	3.0
71.08621	22.4
79.05481	11.4
81.03407	29.4
81.07044	26.0
83.04971	6.7
83.08129	1.1
83.08609	18.8
85.02892	15.3
85.06520	1.7
85.10171	11.9
91.04890	0.5
91.05469	15.3
93.07030	7.9
95.04959	13.7
95.08593	24.3
97.02870	1.8
97.06507	1.8
97.10158	6.0
97.13142	0.5
98.21117	3.6
99.08070	0.6
99.11710	0.9
105.07015	11.0
107.04946	2.8
107.08588	3.8
108.11006	0.5
109.06496	2.8
109.10139	9.7
111.04436	1.2
111.08068	5.2
111.11695	0.8
113.06003	1.2
115.05376	0.7
119.08562	9.8
119.09344	0.8
121.06476	1.1
121.10121	4.4
123.08064	0.8
123.11684	4.0
125.09641	0.9
129.07001	5.2
131.08557	4.9
133.06458	1.4
133.10117	4.9
137.09662	0.9
137.13235	1.4
142.07791	2.1
145.10072	1.0
147.08041	1.8
147.11662	6.6
149.09634	2.9
157.10115	6.8
165.12766	1.2
165.16389	0.6
175.11162	7.7
193.12215	31.3
211.13272	34.9
239.23621	4.8
249.14943	0.6
267.15894	9.6
285.17029	0.8
313.27310	9.4
382.76788	0.6
491.68781	0.6
505.38998	5.5
520.09387	0.5
523.39893	100.0
524.39954	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03930	1.5
55.01852	1.1
55.05505	9.3
57.03427	4.7
57.07069	26.7
58.07422	0.3
59.04991	0.5
65.03920	0.7
67.05498	17.0
69.03403	1.4
69.07061	7.2
70.08955	1.6
71.04987	2.8
71.08622	18.7
79.05045	0.6
79.05482	8.9
81.03408	29.1
81.07044	21.0
83.04971	5.1
83.08610	16.6
83.09025	0.3
85.02892	13.6
85.06536	0.8
85.10173	10.0
88.21657	0.3
91.05469	13.3
93.07029	7.2
95.04954	11.2
95.08594	21.0
97.02876	1.2
97.06531	1.6
97.10163	5.1
99.08067	0.4
99.11707	0.5
105.07015	9.2
107.04934	2.0
107.08585	3.3
109.06496	1.8
109.09440	0.7
109.10139	8.3
111.04449	1.1
111.08071	4.7
111.11711	0.5
113.05988	1.5
117.06970	0.5
119.08564	6.8
121.06480	0.6
121.10137	4.7
123.08071	1.1
123.11681	3.5
125.13250	1.0
129.06989	4.6
131.08543	5.4
133.06497	1.2
133.10118	4.5
137.09602	0.6
137.13284	1.6
142.07771	1.0
145.10092	0.7
147.08035	1.3
147.10506	0.4
147.11665	6.6
149.09590	2.8
151.14835	0.5
153.12903	0.4
157.10110	5.4
165.12743	1.3
165.16351	0.4
175.11165	6.8
184.07332	0.7
187.98312	0.3
193.12215	29.8
200.98808	0.3
211.13272	34.9
212.13618	0.6
221.22636	0.6
239.23653	5.7
249.14944	0.7
265.92593	0.4
267.15894	8.0
267.18555	0.6
273.32047	0.4
285.17004	0.7
313.27319	7.4
505.38742	4.5
523.39880	100.0
524.40216	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31052	0.7
53.03930	1.8
55.01847	1.2
55.05502	8.2
55.76936	0.7
57.03437	4.0
57.07069	23.7
67.05161	1.3
67.05492	18.5
69.03403	1.8
69.07057	7.9
71.04964	1.5
71.08624	17.2
79.05479	9.1
80.76183	0.8
81.03408	28.9
81.07042	21.9
83.04964	4.6
83.05415	0.7
83.08605	16.9
85.02892	11.8
85.10165	10.6
85.54694	0.7
91.05460	10.9
93.07036	6.2
95.04951	10.4
95.08586	19.4
97.02895	1.1
97.06508	1.0
97.10149	4.1
99.08108	0.9
105.06997	8.6
107.04952	2.5
107.08565	3.3
107.82719	0.7
109.06507	1.4
109.10144	8.4
111.04413	0.8
111.08044	4.1
113.05987	1.1
117.07028	0.7
119.08544	6.8
121.10150	4.1
123.11668	4.1
129.06964	4.6
131.08517	4.7
133.06456	0.9
133.10089	2.4
137.13176	1.4
147.07986	1.8
147.11650	5.5
149.09584	2.4
157.10081	4.7
165.12700	0.9
175.11182	5.4
193.12219	27.6
211.13246	33.0
211.15247	1.6
239.23679	4.3
249.14569	0.9
267.15927	6.1
313.27301	6.5
505.38837	3.6
523.39880	100.0
524.40393	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	524.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89537	1.5
57.03427	8.2
60.04495	2.0
60.54319	1.6
66.28911	1.5
71.04984	31.9
71.61478	2.3
72.04514	2.3
74.06073	2.1
75.04474	1.9
79.01833	2.0
83.04979	3.5
84.04487	4.0
85.02896	35.0
86.06087	1.8
87.04452	2.2
96.87204	1.9
97.02887	1.9
98.21072	2.1
99.04442	4.3
109.02882	2.2
116.79805	1.5
127.03924	3.3
129.05443	5.4
137.02325	3.8
139.03925	1.9
143.03435	3.7
144.12050	1.7
146.08084	5.0
151.03943	2.3
153.01811	72.3
161.02396	1.8
162.05481	5.0
164.09213	3.0
165.01837	5.6
177.01788	2.1
179.03384	4.0
180.06575	6.1
181.04956	1.7
185.05983	4.3
194.04414	1.9
208.06041	3.5
209.04407	5.7
213.05441	4.5
217.04924	2.9
227.03308	1.9
241.04919	6.1
243.06482	2.5
245.04433	5.9
269.04471	9.2
273.03909	4.9
286.07101	4.5
287.05438	4.9
289.03262	3.9
291.05151	3.8
297.03986	8.2
301.03452	2.9
314.06516	6.0
315.04883	8.2
317.02817	4.3
317.06351	2.2
318.03641	2.2
319.04465	45.8
332.07568	13.5
333.05777	2.2
335.03900	5.6
342.06073	10.6
343.04437	83.2
345.05984	2.5
360.07092	100.0
361.05334	20.6
378.08142	35.6
524.13477	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.05508	3.8
57.03425	2.3
57.07065	0.9
62.06092	1.0
67.05502	5.2
69.06752	0.7
69.07069	5.6
70.92358	0.9
70.92700	0.6
79.05484	4.4
81.07050	18.8
83.04967	2.9
83.08598	2.3
91.05460	3.0
93.07042	6.2
95.04951	1.3
95.08118	0.6
95.08617	6.5
97.02864	0.6
97.06497	1.6
98.98488	0.8
100.50468	0.5
105.07023	2.9
107.04947	0.9
107.08587	5.2
109.06509	8.4
109.10133	3.3
111.04427	15.4
111.08036	1.2
111.21029	0.6
117.07011	0.8
119.08558	4.2
121.06438	0.7
121.10137	5.0
123.08038	1.8
123.11684	2.4
125.05990	5.2
129.05475	1.7
129.06961	0.6
131.08548	2.0
133.10101	4.7
135.08101	2.8
135.11665	5.1
137.05968	100.0
137.09592	1.5
137.13252	2.6
138.06328	0.7
139.07507	0.8
143.08546	1.1
145.10085	2.5
147.08076	1.2
147.11661	5.9
149.09599	4.7
149.13286	1.8
151.07552	2.6
151.11171	1.4
153.09065	0.6
156.09282	0.6
157.08727	0.8
157.10094	2.0
159.11714	1.5
161.09601	7.2
161.13289	3.1
163.11189	3.5
163.14853	0.8
165.09131	2.7
165.12704	0.6
167.10667	1.3
171.11731	1.7
173.13171	0.6
175.11185	5.3
175.14774	1.3
177.12737	0.8
179.10654	2.6
181.12198	1.1
189.12793	1.2
193.12219	0.9
203.17938	7.1
205.19585	1.0
210.14748	0.6
213.14650	0.6
213.16382	3.7
216.06316	1.3
221.19090	1.5
223.14745	0.7
229.14342	1.3
231.17410	10.9
231.19539	0.9
241.15915	1.2
249.18472	6.7
275.19980	1.2
277.17963	41.3
278.18387	1.0
295.19009	16.2
299.97433	0.7
320.22195	3.7
349.23630	2.0
351.21637	56.8
383.24255	67.8
384.24771	1.1
431.18359	2.3
472.24838	0.8
474.22403	1.8
492.23654	3.7
524.19238	1.0
524.26337	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	0.5
56.05032	1.3
57.03427	0.5
57.07070	2.7
58.06557	1.4
59.07375	0.4
60.08158	16.3
67.05497	0.6
69.07059	0.5
71.07369	5.4
71.08618	2.1
71.08973	0.3
71.09268	0.2
81.07051	0.8
83.08622	0.6
85.10166	1.2
86.09696	51.2
95.08591	0.9
97.10165	0.3
98.98458	3.5
104.10732	100.0
109.10157	0.4
124.99991	28.1
128.02306	0.2
130.76537	0.2
143.01056	0.5
163.01588	0.6
166.27405	0.2
181.02576	0.4
184.07323	96.2
185.07697	0.2
194.20100	0.3
244.68706	0.2
246.89554	0.2
258.11084	1.2
341.30414	1.6
506.36002	9.3
524.37073	39.4
525.37177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2303
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05505	1.0
57.07087	0.4
59.04981	0.3
67.05496	1.3
69.03410	0.8
69.07064	2.2
69.49123	0.9
69.49544	1.5
71.04989	0.5
79.05481	1.0
81.07046	4.0
83.04965	0.5
83.08618	0.8
84.99204	0.3
85.02907	1.3
85.06530	1.2
91.05457	1.3
93.07042	2.4
95.04972	0.4
95.08588	3.5
97.02892	0.7
97.06538	0.4
105.07021	1.7
107.08583	2.8
109.02850	0.4
109.06507	0.4
109.10143	1.8
110.41380	0.3
111.08066	0.5
111.11723	0.9
119.08572	1.6
121.06467	0.5
121.10133	1.2
123.08005	0.4
123.11640	1.3
127.03780	0.4
127.11163	0.3
129.07008	0.3
131.08569	0.8
133.10127	1.1
135.11694	1.0
137.05963	0.7
137.13242	0.8
139.11185	0.4
145.10107	0.7
147.11670	0.6
149.09621	0.4
149.13263	1.1
153.12726	0.5
159.11705	0.6
161.02951	0.5
161.09694	0.3
161.13248	0.6
163.14851	0.6
173.13193	0.4
175.14867	0.4
177.00694	0.4
179.10593	0.3
183.11667	0.4
188.61748	0.3
189.05444	0.7
189.12698	0.3
191.10455	0.3
191.14313	0.3
199.14807	0.4
201.16418	0.4
203.05257	0.3
211.14919	0.4
213.16400	0.5
245.06345	0.9
259.16705	0.5
277.17737	0.4
287.03674	0.9
289.05267	11.2
291.26746	1.4
309.27988	1.4
317.08463	0.7
318.54138	0.3
324.92145	0.3
327.28763	0.3
333.08002	0.4
335.09396	3.4
355.15131	0.4
381.17642	0.4
393.18741	7.9
439.23102	0.4
451.53281	0.3
481.24152	1.7
507.21875	0.7
525.23029	100.0
526.23547	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
54.77458	0.2
55.05495	0.8
56.96537	0.3
56.98890	0.2
57.03425	0.4
57.07063	0.5
65.39725	0.2
67.05494	1.4
69.03421	0.8
69.07061	2.4
71.04975	0.9
71.61388	0.3
72.08132	0.2
79.05479	1.5
81.03407	0.5
81.07042	4.3
82.07369	0.2
83.04974	0.5
83.06113	0.2
83.08607	0.8
85.02892	1.1
85.06541	1.2
91.05467	1.1
93.07037	2.5
95.04961	0.8
95.08596	3.5
97.02892	0.8
97.06522	0.6
97.10162	0.5
99.04432	0.4
99.08060	0.4
105.07023	1.7
107.04935	0.3
107.08588	2.7
109.06532	0.6
109.10126	2.0
111.08067	0.7
111.11691	0.6
116.98599	0.2
117.06988	0.4
119.01888	0.3
119.04903	0.2
119.08580	1.5
120.50230	0.2
121.02837	0.2
121.06489	0.3
121.10130	1.3
123.04410	0.3
123.08085	0.4
123.11689	1.3
124.24503	0.2
125.09676	0.3
127.03879	0.6
129.07010	0.3
131.08580	0.7
133.10133	1.1
135.08075	0.2
135.11652	1.0
137.05966	0.3
137.13249	0.8
139.11148	0.2
143.01909	0.3
143.08554	0.5
145.10100	1.1
147.11688	0.5
149.13234	1.2
151.14787	0.2
153.12709	0.5
155.14255	0.3
157.10109	0.2
159.08040	0.2
159.11678	0.6
160.12045	0.2
161.02892	0.4
161.13173	0.5
163.03889	0.2
163.14803	0.6
165.12859	0.2
167.08440	0.3
167.10733	0.3
169.04840	0.2
169.10136	0.3
170.68639	0.2
171.11720	0.4
171.13782	0.4
173.13255	0.5
173.15392	0.2
175.11209	0.2
175.14854	0.2
177.16388	0.4
179.10817	0.2
185.13248	0.3
187.14899	0.5
189.05461	0.3
189.12825	0.3
189.16388	0.4
191.10541	0.3
197.13240	0.3
199.14821	0.3
201.03717	0.3
201.09068	0.3
201.16490	0.2
203.05315	0.9
211.14716	0.3
245.06354	1.4
245.15427	0.2
259.16779	0.6
261.18295	0.5
273.25897	0.3
275.07242	0.2
277.17819	0.4
279.26819	0.4
287.03714	1.0
289.05267	13.1
291.26782	1.3
309.27759	1.4
317.08533	0.6
327.28589	0.2
331.12018	0.2
333.07941	0.3
335.09384	2.7
355.15518	0.4
368.34424	0.2
393.18796	7.1
439.22476	0.2
481.24161	2.2
507.21863	0.9
525.23029	100.0
526.23401	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10534	2.5
55.01867	3.9
55.05503	16.6
56.66862	2.1
57.03436	4.5
57.07077	16.4
67.05499	33.6
69.03420	9.8
69.07065	39.6
70.06585	3.4
71.04985	3.3
71.08642	4.4
71.63867	2.9
71.65333	2.1
71.66498	2.6
73.16834	2.2
73.56021	2.1
77.25797	2.0
78.20670	2.3
79.05483	17.3
79.24599	2.2
81.03426	3.9
81.07052	100.0
83.04958	3.1
83.08206	2.7
83.08616	15.7
85.02896	12.0
85.06536	96.7
91.05478	9.3
93.07037	32.5
95.04979	6.0
95.08599	83.6
97.02895	4.4
97.06524	5.2
97.10165	9.4
99.08086	16.8
105.07021	11.1
107.08591	40.0
109.06538	4.1
109.10147	59.7
111.04414	2.8
111.08084	9.8
111.11719	9.1
113.09678	4.7
119.08578	11.7
121.10141	23.2
123.04386	4.2
123.11698	47.3
125.09615	23.1
127.11214	3.8
133.10135	5.8
135.11658	21.4
137.05975	8.2
137.13254	24.3
139.09084	2.4
139.11206	4.4
145.04903	3.0
145.10168	3.2
147.11664	4.9
149.13255	28.6
151.03871	3.2
151.14819	9.0
153.12721	10.5
159.11728	3.4
161.13327	5.3
163.04015	2.6
163.14816	19.6
165.12769	2.9
165.16382	2.8
167.14275	11.2
171.13780	8.4
175.14868	3.5
177.16399	8.9
179.17958	4.1
181.15988	2.7
191.17975	7.8
193.19525	2.9
205.19501	4.7
217.19583	4.5
235.20584	3.0
261.25708	5.2
273.25739	9.4
279.17142	2.6
279.26846	19.0
289.05334	5.7
291.26758	52.1
297.27792	17.7
309.27856	59.4
327.28891	30.4
345.29861	11.6
355.15451	4.0
525.23981	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	525.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
53.93520	1.8
55.01853	2.3
55.05497	18.8
56.58258	2.2
57.07058	8.4
61.02914	2.3
67.05492	26.4
69.03416	5.6
69.07050	48.1
70.75159	8.0
71.04984	3.8
71.08619	6.0
79.05475	10.7
81.07043	100.0
83.08605	15.6
85.02883	9.9
85.06523	16.2
91.05471	8.1
93.07026	29.4
95.08588	75.8
97.06499	7.0
97.10166	8.8
99.08071	7.1
105.07008	9.1
107.07933	3.3
107.08582	30.8
109.02841	3.4
109.06493	2.8
109.10143	50.9
111.08065	16.1
111.11713	10.8
113.09687	2.6
119.08569	11.5
121.10130	20.4
123.11678	35.9
125.09621	3.3
125.13250	2.4
127.11189	3.2
133.10071	6.4
135.11674	17.5
137.05989	2.9
137.13232	26.4
139.11189	3.7
147.11676	8.1
149.02686	2.2
149.13242	26.6
151.14807	8.2
153.12717	12.6
155.14262	6.0
157.10100	3.1
161.13304	4.0
163.03954	3.8
163.14774	13.1
165.12767	7.1
165.16321	3.5
167.14275	5.2
171.13817	4.6
173.05922	11.9
177.16328	8.4
181.06599	2.5
187.07555	5.9
189.16405	2.2
193.05290	2.4
201.05460	5.1
201.14792	3.8
203.17964	2.9
205.19556	3.2
213.05470	4.1
213.09067	2.7
213.18500	3.1
215.07031	3.8
217.04861	11.2
217.19572	5.1
225.05452	3.6
227.07051	3.2
235.86545	2.1
273.25705	15.0
279.26743	8.2
289.05237	8.7
291.26785	39.9
297.27786	10.0
309.27832	44.2
311.12949	3.0
315.28937	4.5
327.28857	23.3
329.13794	19.4
337.14243	7.2
345.30035	4.3
355.15335	22.6
373.16342	8.7
491.18991	2.3
507.22000	2.8
525.22754	16.8
525.29059	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	526.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81262	0.5
53.03917	0.6
55.01846	0.7
55.05493	0.9
57.03413	0.6
67.05501	3.2
69.03405	0.6
69.07040	2.4
69.44328	1.9
69.44746	3.6
79.05466	3.1
80.04998	0.9
81.03394	0.9
81.05755	1.8
81.07037	3.8
82.06558	2.8
82.07348	0.6
83.08604	1.2
85.02907	1.2
85.06528	0.9
86.09703	0.7
91.05470	4.9
93.07027	10.1
94.05996	0.9
94.06553	10.0
95.04939	2.0
95.06816	0.9
95.07342	10.3
95.08601	3.8
96.08120	22.3
96.08778	1.1
97.06494	2.3
99.08089	0.7
103.05442	2.2
104.51182	0.7
105.05698	0.9
105.07013	0.7
107.08575	1.5
108.04425	0.8
108.07413	0.8
108.08104	11.0
109.08855	2.3
109.10123	2.3
110.09665	42.5
118.06493	1.0
120.04378	0.7
120.08091	28.9
121.06458	1.1
121.10090	1.5
123.06793	1.8
123.11688	1.0
124.07564	0.9
124.12037	1.0
125.75321	0.5
128.28607	0.5
129.14708	0.5
131.04901	0.7
133.10138	1.2
136.07536	3.3
137.05919	1.2
137.69572	0.6
137.76004	0.6
138.09123	49.2
146.05971	0.6
148.07533	6.2
149.13286	1.1
151.38167	0.6
154.08669	0.8
160.03973	0.6
161.05984	0.9
166.08618	73.4
168.06564	0.7
172.03894	1.6
181.08580	0.6
182.91655	0.6
190.05000	1.0
199.08727	2.6
200.09409	0.9
201.10268	0.7
203.31844	0.5
204.06522	1.2
209.07097	0.6
211.08652	4.7
212.09453	1.6
213.06560	1.8
213.10191	5.0
221.10680	0.6
222.06900	0.6
224.09488	0.6
225.06523	1.8
225.10187	5.3
226.10793	1.0
227.08070	1.5
227.11786	3.6
229.09695	1.9
229.14336	0.8
237.09045	1.3
239.08171	1.1
239.11758	5.1
240.08870	0.9
241.09630	2.6
242.10406	0.7
245.12834	12.4
249.10205	0.7
251.11780	0.7
253.09686	5.7
254.10487	1.9
255.11240	16.1
267.11252	8.1
268.12122	1.0
269.12027	1.8
273.12390	2.3
281.09229	0.8
283.10696	10.3
285.12372	4.9
287.10263	1.3
288.10638	0.7
291.26660	0.9
292.27271	0.9
295.10715	5.0
295.13718	0.8
297.12219	2.0
299.10330	1.9
301.11801	23.1
311.10269	2.1
313.11752	23.8
323.10275	5.0
325.11789	2.6
329.11273	21.9
329.17172	0.8
341.11267	7.3
343.12906	1.0
347.12305	1.1
349.23785	0.7
355.15347	2.2
361.13885	100.0
367.24915	0.9
373.13797	7.4
420.18665	0.7
448.18805	1.5
450.20197	0.9
452.18130	1.1
461.19141	0.6
466.19733	5.7
476.18304	1.6
480.21835	0.7
494.19205	19.3
505.21664	0.6
508.20847	13.1
523.55090	0.6
526.21899	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	526.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10051	0.6
53.03896	0.8
55.01806	0.9
55.05453	1.2
67.05419	2.6
69.03358	1.0
69.06979	2.6
70.96969	1.7
79.05406	3.2
80.04948	1.2
81.05740	0.7
81.07043	2.9
82.06520	1.7
83.08553	1.1
85.02854	1.3
85.06464	1.4
91.05476	4.2
93.07041	10.8
94.06564	9.9
94.07106	1.4
95.04866	2.6
95.07342	10.7
95.08592	4.5
96.08120	22.0
96.08707	1.3
97.06433	2.8
103.05361	2.1
105.06995	0.9
107.08497	1.3
108.04386	0.6
108.08107	11.4
108.08783	0.9
109.08843	1.3
109.10090	3.0
110.09671	43.2
110.10380	2.3
120.08093	26.1
121.06438	1.3
121.10059	0.7
122.05929	0.9
123.06687	1.3
123.11646	1.1
133.06398	0.7
136.07567	3.5
137.05888	1.3
138.09126	51.0
140.07027	0.7
146.05931	0.8
148.07541	7.0
149.05807	0.7
149.13092	0.8
153.06801	0.6
154.08517	0.8
161.05878	0.8
163.07458	0.9
166.08626	72.0
167.08984	0.7
168.06340	0.9
172.03792	1.0
190.04886	1.1
199.08572	2.7
200.09297	1.1
201.10158	0.6
204.06471	1.6
206.08162	0.8
211.08682	4.7
212.09241	1.5
213.06548	1.7
213.10190	5.8
224.09436	0.8
225.06558	2.5
225.10251	5.1
227.08051	1.8
227.11734	4.6
229.09557	1.3
229.14186	0.8
239.11812	6.4
240.08789	1.6
241.09680	4.4
242.10367	0.9
245.12842	12.4
249.10039	0.7
251.11699	0.7
253.09731	5.0
254.10474	1.4
255.07381	0.8
255.11261	14.7
257.12955	0.8
266.10492	0.7
267.11273	8.2
268.12070	1.4
269.12155	1.1
273.12347	2.3
283.10727	12.1
285.12332	6.5
287.10126	1.5
295.10696	6.1
297.12372	1.4
299.10318	2.7
301.11810	25.4
311.10086	1.4
313.11765	25.0
323.10257	4.7
325.11911	2.2
329.11273	23.5
329.17148	0.9
341.11307	8.2
343.12976	1.5
347.12433	2.5
355.15396	2.2
361.13910	100.0
362.13977	1.2
373.13577	7.1
401.67538	0.7
420.19232	0.8
448.18811	2.5
450.20203	1.0
452.18326	1.1
454.19547	0.8
466.19785	6.7
476.18329	1.2
494.19189	21.6
508.20877	12.5
521.50403	0.7
526.09827	0.9
526.21936	22.8
526.34070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32134	0.5
53.03894	0.9
55.01833	0.5
55.05462	0.8
63.68227	0.5
67.05491	2.5
69.06990	2.4
71.61022	0.7
79.05410	3.4
80.04955	1.4
81.03353	0.5
81.05736	0.9
81.07046	4.5
82.06505	1.6
82.82856	0.6
83.08557	1.3
83.89716	0.5
85.02827	1.1
85.06470	0.6
91.05482	3.1
93.07035	8.6
94.06554	7.7
95.04879	1.7
95.07343	8.6
95.08588	3.7
96.08115	18.0
96.08745	1.4
97.02792	0.5
97.06449	2.1
103.05418	0.9
105.05726	0.6
105.06954	1.0
107.04868	0.7
107.08515	1.4
108.04428	0.7
108.08107	9.3
108.08797	0.6
109.08804	1.6
109.10067	1.5
110.09671	38.2
110.10401	1.8
111.08044	0.9
115.05305	0.7
118.14413	0.5
120.08095	21.6
121.06463	1.1
121.10075	0.7
123.06714	1.4
123.11630	1.8
124.07470	0.8
128.64342	0.5
133.06425	0.5
135.11559	0.8
136.07559	3.3
137.05901	1.4
138.09125	40.2
139.03780	0.8
140.07019	0.6
146.05942	0.8
147.04300	0.7
147.11627	0.9
148.07539	6.7
149.13214	0.7
154.08540	0.7
161.05911	1.1
166.08618	61.7
172.03757	0.9
173.05971	0.7
181.06361	0.6
187.07472	1.2
199.08551	2.0
200.09312	1.3
204.06479	0.9
211.08736	4.2
212.09377	1.6
213.06453	1.2
213.10287	4.7
213.61694	0.6
214.10760	0.6
225.06479	1.6
225.10162	4.7
226.10788	0.7
227.08192	0.8
227.11760	3.4
229.09674	2.2
237.10173	1.0
239.08075	0.9
239.11795	3.9
240.08736	1.5
241.09703	3.1
242.10359	1.3
245.12833	9.6
252.08894	1.3
253.09740	4.3
254.10529	0.9
255.11261	12.3
257.12842	0.7
267.11261	7.4
268.11920	1.2
269.12918	0.7
273.08807	0.6
273.12387	2.5
279.11005	0.6
283.10718	9.0
285.12289	4.1
288.10635	0.6
295.10748	5.4
297.12305	1.1
299.10217	1.0
301.11780	19.6
310.28232	0.7
311.09943	1.3
313.11768	19.0
323.10263	2.8
325.11862	0.7
327.15918	1.1
329.07312	0.9
329.11255	17.2
329.14926	1.1
329.17230	0.7
341.11301	6.5
343.12820	1.3
347.12479	0.9
355.15692	3.2
358.11139	0.5
361.13889	100.0
362.14163	0.8
373.13657	7.4
406.35928	0.6
420.19040	1.0
448.18741	1.7
466.19843	5.7
476.18021	1.4
494.19162	14.6
508.20871	6.4
526.21863	24.1
527.24042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40091	1.7
52.56642	1.7
55.01856	3.0
55.05511	17.0
57.07058	2.3
59.04985	2.0
62.96176	1.6
65.03925	1.8
67.05503	17.3
69.07063	14.6
70.74855	4.0
70.75200	1.7
71.04980	4.1
71.64858	1.7
72.25697	1.5
79.05479	12.3
81.03398	4.9
81.07053	36.8
82.07366	6.9
83.04959	3.2
83.08614	10.7
85.02888	6.7
85.06517	4.6
91.05478	9.9
93.07026	11.6
94.07367	2.4
95.04962	4.8
95.08606	21.1
96.08926	3.8
96.50242	1.6
97.02892	1.9
97.06533	4.8
97.10162	4.1
98.21156	3.3
99.08080	3.6
100.11250	2.0
105.07004	7.9
107.04969	2.3
107.08622	9.9
109.02830	1.8
109.06470	2.3
109.10133	11.9
110.10468	2.1
111.04391	2.1
111.08057	4.9
111.11710	2.5
113.09717	1.9
115.05451	2.4
119.08549	6.2
121.10123	6.6
123.04380	2.4
123.08038	2.6
123.11695	9.2
124.12032	3.5
129.06972	3.1
131.08577	2.8
133.06506	2.4
133.10104	5.2
135.11693	5.5
136.11934	2.0
136.38989	1.7
137.05962	3.9
137.13229	7.2
138.13519	2.0
140.46524	1.8
141.06973	2.6
145.06480	3.2
145.10129	3.2
147.04402	3.0
147.11659	3.7
149.13229	7.7
150.13635	1.9
151.14810	1.7
153.06956	4.2
153.12767	3.4
157.06592	2.9
157.10016	1.7
161.05983	10.4
163.03842	8.7
163.11179	2.9
163.14803	3.5
165.12709	2.6
167.04930	3.0
167.14249	2.6
169.06456	2.5
171.08025	2.9
173.05978	63.4
173.07520	3.1
173.09523	3.3
175.03874	3.9
175.07652	2.8
177.05415	3.7
181.06448	8.7
182.15581	2.3
183.07973	2.9
185.05972	9.5
187.03864	2.1
187.07533	16.0
189.05482	7.3
189.09006	2.1
191.10672	3.8
195.08099	2.3
197.05991	11.8
198.06567	2.2
199.07556	19.6
201.05472	28.3
201.09058	2.1
203.06946	4.6
207.08070	2.4
209.05948	1.9
210.14917	2.1
211.07443	10.4
213.05466	29.1
213.09038	7.3
215.06992	11.1
217.04944	50.0
221.09564	1.6
223.07394	2.4
225.05469	11.6
225.09152	3.9
226.06212	4.9
227.07002	26.7
229.04950	16.4
235.07521	2.2
239.07008	7.1
239.10594	2.3
240.66722	1.9
241.04768	2.4
243.06519	8.7
249.12706	6.9
251.10677	1.8
253.08588	6.1
255.13911	1.9
257.08014	2.2
257.15396	2.4
265.12219	3.9
267.13831	16.4
281.15359	5.7
283.13373	2.0
285.14777	4.4
291.13855	10.6
291.26895	4.8
292.27124	7.0
295.13242	4.1
297.27762	2.9
299.16388	2.9
309.14883	13.8
309.27802	5.0
310.28143	7.2
311.12872	10.8
313.14395	18.3
319.13171	5.6
327.15942	13.6
327.28864	3.3
328.28833	2.9
329.13818	77.7
329.17261	3.4
337.14337	37.7
347.14688	3.3
355.15366	100.0
373.16461	44.7
429.15207	3.5
473.18277	4.0
491.18927	6.9
509.20749	3.7
524.07819	2.2
526.23462	4.1
541.00525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
55.01862	13.8
55.05504	33.1
57.03427	15.1
57.74743	2.0
61.02914	19.8
65.03918	2.4
67.05169	3.1
67.05499	43.8
67.14075	2.1
69.03064	2.6
69.03417	32.3
69.07056	27.3
71.01343	4.7
71.04971	8.3
71.61423	2.4
73.02913	14.9
79.05481	45.5
81.03407	39.6
81.07045	88.1
83.04974	13.5
83.08610	14.5
85.02894	35.1
85.06507	2.9
87.04465	3.2
91.03949	9.6
91.05474	36.4
93.07029	35.7
95.04960	18.8
95.08596	22.6
97.02280	2.1
97.02879	33.8
97.06520	5.7
97.10149	21.0
99.04443	8.6
101.02367	7.4
103.03904	3.2
105.07013	31.3
107.04939	16.0
107.08587	28.6
109.02872	11.4
109.06496	61.1
109.10133	20.4
111.04428	5.8
111.08047	5.8
113.57826	2.2
115.03929	3.7
115.05422	3.0
117.06994	10.9
119.04976	2.7
119.08572	28.3
121.06494	9.4
121.10137	10.5
123.04401	4.6
123.08057	13.2
125.09605	17.3
127.03912	20.6
128.06270	1.9
129.05394	4.8
129.06996	7.6
131.08531	14.5
133.06474	6.4
133.10085	14.7
135.08060	8.4
135.11688	7.3
137.05949	4.3
137.09586	6.2
143.08522	6.5
145.04926	3.4
145.06508	4.7
145.10118	16.1
147.08005	12.1
147.11665	8.7
149.09608	9.3
149.13206	2.2
151.07494	3.0
151.11241	3.2
153.09132	3.9
155.08504	2.6
157.10118	8.5
159.08054	2.5
159.11667	6.9
160.18115	2.0
161.09579	11.7
163.11160	9.1
165.05464	8.1
169.10046	2.6
171.11649	5.2
173.04477	3.3
173.09584	3.0
173.11720	5.0
173.13264	3.6
175.11176	5.5
177.12746	3.7
181.12239	2.6
183.06490	4.0
183.10066	3.3
183.11603	2.2
185.13264	2.8
187.11156	2.3
189.09557	2.8
189.11192	15.2
189.12703	4.1
191.10652	3.6
193.12216	12.2
201.07449	2.5
211.13177	9.9
223.13246	17.7
227.12735	6.5
229.12181	2.5
235.13377	3.2
245.19034	5.2
249.14801	7.7
250.01645	3.4
251.12646	2.9
255.17448	5.5
263.20108	3.8
267.15942	3.9
273.18442	38.6
291.19489	100.0
309.20355	2.0
315.19592	2.8
347.22134	28.3
365.23190	50.1
365.27271	1.9
383.24234	2.2
389.23203	4.0
393.22870	3.3
473.25208	2.3
509.27277	6.6
517.90576	2.4
525.54504	2.5
527.28119	27.6
527.33795	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	527.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01868	8.6
55.05505	22.9
57.03431	14.4
61.02917	14.4
67.05162	1.8
67.05499	28.5
69.03419	23.6
69.07066	23.7
71.01344	3.7
71.04977	4.6
71.63477	1.4
71.63863	1.2
73.02908	11.5
79.05482	25.7
81.02964	2.4
81.03412	27.3
81.07049	28.3
83.04972	7.1
83.08612	13.8
85.02892	25.6
85.06541	2.1
87.04472	1.6
91.03968	6.9
91.05474	20.2
93.07039	20.7
95.01289	1.3
95.04951	14.7
95.08596	12.8
97.02889	25.3
97.06519	5.1
97.10166	15.6
99.04449	4.7
99.08073	1.7
101.02374	4.7
103.03941	4.4
103.05473	1.6
105.07027	16.5
107.04938	10.7
107.08582	16.5
109.02868	7.8
109.06505	5.5
109.10152	12.6
111.04436	4.6
111.08093	4.1
113.69248	1.3
115.03971	1.6
115.05424	1.4
117.07015	8.0
119.04971	1.7
119.08564	17.3
121.06469	5.1
121.10128	8.7
123.04438	2.3
123.08047	9.2
123.11658	1.6
125.09615	17.0
127.03900	12.7
128.06213	1.6
129.05470	2.8
129.06955	5.7
131.08533	10.9
133.06485	2.2
133.10132	5.7
135.08034	5.9
135.11679	2.3
137.06015	1.1
137.09610	2.9
143.08528	4.1
145.04941	2.7
145.06612	1.7
145.10143	8.2
147.08015	8.7
147.11650	6.2
149.05991	1.6
149.09619	4.5
149.13266	1.8
150.09193	1.2
151.07559	1.7
151.11273	1.2
153.09085	1.8
155.08446	1.1
157.10135	5.0
159.11670	4.9
161.09625	4.7
163.11183	5.1
165.09137	3.5
169.10078	1.4
169.12160	1.4
171.10236	1.8
171.11694	2.8
173.04454	2.3
173.09627	2.7
173.11792	1.9
175.11195	4.8
177.12747	3.5
181.12247	1.4
183.06537	2.4
187.13258	1.5
189.11205	12.9
189.12726	1.9
193.12201	7.6
195.13795	1.7
199.11244	1.4
205.12260	2.2
211.13228	8.0
223.13268	17.9
227.12804	6.5
227.17928	1.4
235.13144	2.0
237.02864	3.4
245.13785	2.2
245.19034	2.9
249.14900	3.5
255.17375	2.9
263.20096	1.2
267.15796	1.9
273.18494	21.9
275.19958	1.4
279.03677	1.2
283.15491	1.6
285.16940	1.6
291.19513	100.0
309.17041	1.6
347.22137	8.8
365.23181	35.2
377.54495	1.2
389.23126	1.6
393.23135	1.3
473.25601	1.6
491.26282	3.1
509.27194	7.4
527.28351	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	527.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49032	0.8
61.58926	0.8
65.83128	0.7
67.05481	3.0
67.28270	0.8
69.07043	0.8
69.40793	4.3
69.41226	3.3
79.05474	1.6
81.07028	2.4
89.05997	4.5
89.27554	0.7
91.05461	1.4
93.07037	1.9
95.08599	2.0
98.20672	1.9
105.06998	1.3
107.08570	1.0
109.10114	1.1
115.76143	0.8
119.08559	2.0
129.07028	1.0
131.08563	0.9
133.08586	2.2
133.10040	1.1
133.49493	0.8
145.10098	0.9
157.10167	0.8
206.70850	0.7
235.13094	1.5
315.19376	2.1
327.20126	1.1
328.20316	1.5
336.47098	0.9
364.44791	0.8
370.79700	0.8
435.32562	1.6
527.33191	100.0
528.33618	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	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03936	1.2
55.01848	1.9
55.05254	0.7
55.05504	10.0
57.03422	2.9
57.07062	1.7
65.03915	1.5
67.05495	19.6
69.07059	9.5
71.04970	1.7
71.08619	0.6
77.16656	0.5
79.05486	13.5
81.03403	0.9
81.07047	18.7
83.04951	2.1
83.08607	5.0
85.02863	0.6
85.06541	1.7
91.05466	14.6
93.06459	0.9
93.07034	15.4
95.04935	2.4
95.08593	12.1
97.06503	1.5
97.10171	3.2
103.05426	0.8
105.07021	13.8
107.08588	7.8
109.06497	1.1
109.10145	6.6
109.83355	0.5
111.08060	1.4
115.05441	1.2
116.06256	0.5
117.07014	9.6
119.08573	10.5
120.79785	0.6
121.06512	0.5
121.10130	5.5
123.08076	0.6
123.11676	1.9
125.09625	0.9
128.06221	2.3
129.06987	9.0
130.07793	1.0
131.08556	15.3
133.10121	9.2
135.08020	0.9
135.11642	2.8
139.11182	0.6
141.06967	4.3
142.07755	2.7
143.08539	12.6
145.10101	12.1
147.11655	5.2
149.13240	1.7
151.11200	0.8
153.06975	1.1
154.07770	0.6
155.08531	8.9
156.09297	1.0
157.10120	11.8
159.11670	9.1
161.09619	0.8
161.13239	2.3
163.14769	0.6
165.06923	0.7
166.07768	1.2
167.08510	3.5
168.09308	0.6
169.10092	9.1
171.11661	10.7
173.13225	4.9
175.14862	0.7
179.08498	0.7
180.09372	0.7
181.10095	4.8
182.11130	0.6
183.11668	10.0
185.13261	7.5
187.14795	2.7
193.10176	1.1
195.11707	3.8
197.13258	6.3
198.97311	0.8
199.14853	4.0
201.16306	0.8
205.10027	0.6
207.11615	1.5
209.13261	3.4
211.14799	4.0
213.16386	2.2
221.13310	2.0
223.14812	3.0
225.16345	1.9
227.17964	1.2
235.14792	1.5
237.16428	1.5
239.14304	0.6
241.19600	0.8
245.05269	0.7
249.16463	0.9
251.17931	0.9
259.20569	1.3
263.17816	0.6
265.19580	0.8
267.17700	0.6
269.19055	0.8
271.20654	0.6
272.02127	0.5
279.20996	0.7
283.20572	0.8
285.18384	0.5
297.18756	0.6
297.22110	1.4
299.19864	0.7
309.22046	1.2
311.23630	1.5
313.21622	1.1
315.23358	1.6
323.23660	1.7
325.25323	1.0
327.23221	0.9
337.25256	1.3
341.24612	1.6
353.24893	1.2
367.26132	0.6
379.26276	0.6
385.26236	0.7
404.00534	0.5
417.31406	4.6
425.34137	0.7
427.17209	0.6
435.32565	16.2
436.33319	0.7
453.33569	7.4
471.34653	2.2
473.34293	1.1
491.35254	1.7
509.36179	8.9
527.37286	100.0
528.37750	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
54.63992	0.6
55.01858	2.2
55.05502	10.0
56.37688	0.6
57.03424	2.5
57.07056	1.0
65.03943	0.8
67.05497	18.4
69.03423	0.8
69.06707	0.9
69.07062	10.1
71.04981	1.3
76.68279	0.5
79.05482	14.6
81.03423	2.5
81.06570	1.1
81.07047	20.2
83.04966	1.7
83.08604	4.9
85.06520	1.5
91.05471	15.0
93.07032	14.0
95.04953	3.6
95.08597	12.8
97.06512	1.9
97.10183	3.1
105.07021	14.3
107.04939	0.7
107.08577	10.1
109.06516	1.2
109.10154	6.8
111.08097	1.4
117.07006	9.1
119.08567	12.1
121.06519	0.6
121.10120	5.9
123.08049	0.8
123.11712	1.2
124.93711	0.7
125.09599	2.1
128.06210	2.5
129.06989	9.6
130.07733	0.9
131.08559	14.6
131.09506	1.0
133.06503	0.6
133.10107	9.3
135.08064	0.7
135.11682	3.0
141.06949	3.3
142.07764	2.3
143.08545	12.0
145.06454	0.8
145.10107	13.8
147.11670	5.5
149.09583	1.1
149.13251	2.2
151.11113	0.9
153.07056	1.0
155.08563	7.5
156.09306	0.8
157.10129	11.9
159.11668	7.7
161.13232	2.2
163.14903	0.6
167.08539	2.1
168.09317	0.8
169.10101	10.1
170.10545	0.6
171.11653	9.3
173.13248	5.2
179.08554	0.8
181.10072	3.7
183.11694	8.4
185.13223	6.3
187.14830	2.2
189.16516	0.7
193.10155	1.5
193.12238	1.5
194.11015	0.8
195.11708	3.7
197.09549	0.6
197.13252	6.6
198.97449	5.9
199.14792	3.9
201.12770	0.9
201.16364	1.1
207.11707	2.3
209.13319	3.3
211.14804	4.4
213.16383	2.2
215.17950	0.9
221.13338	1.5
223.14862	2.8
225.16389	2.1
235.14926	1.4
237.16316	2.0
239.18134	1.1
241.15744	0.6
241.19702	0.9
249.16505	1.1
251.18002	1.2
255.91756	0.6
259.20535	0.9
263.17975	0.7
269.19290	0.6
271.20703	0.6
283.20471	1.2
297.22134	1.5
309.22113	1.4
311.23636	1.0
313.21466	0.8
315.23187	1.1
323.23764	1.8
327.23221	0.8
337.25162	0.8
339.23108	1.1
341.24603	0.7
349.25439	1.0
355.26294	0.8
401.86703	0.6
414.94089	0.6
415.28238	0.7
417.31528	5.0
435.18942	1.1
435.32559	12.7
453.33594	6.7
471.34796	1.7
485.32956	0.8
491.35248	1.0
509.36237	9.1
527.23755	5.3
527.37280	100.0
528.37543	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01857	1.0
55.05262	0.9
55.05506	9.6
57.03423	2.5
57.07068	0.8
60.53838	0.7
65.03927	1.2
67.05497	21.4
69.07065	9.7
71.04976	1.7
71.08616	0.8
73.40369	0.6
75.89557	0.6
77.85742	0.7
78.16722	0.7
78.92264	0.7
79.05484	13.2
81.03399	1.7
81.07050	23.1
83.04963	1.4
83.08609	6.6
85.06538	1.3
91.05475	15.8
93.07040	18.3
95.04947	1.7
95.08603	15.1
97.06513	2.0
97.10161	2.6
98.20789	2.0
98.21482	2.4
103.05420	0.8
105.07015	18.1
105.07670	1.3
107.08596	9.4
109.06498	1.4
109.10145	7.1
111.08028	1.2
115.05447	1.3
116.06239	0.9
117.07000	11.8
119.08565	12.2
121.10126	6.1
123.08069	1.6
123.11693	1.4
125.09651	1.4
128.06218	2.6
129.06993	11.4
131.08557	16.1
133.10110	9.2
135.11646	3.2
141.07031	3.8
142.07782	2.3
143.08554	14.6
145.10110	15.5
147.11647	4.2
149.09567	1.2
149.13211	2.3
154.07739	1.1
155.08519	8.5
156.09346	2.6
157.10115	13.3
157.11305	1.3
159.11681	11.3
161.09662	0.9
161.13283	2.5
163.11215	0.8
166.07774	0.8
167.08551	3.4
168.09303	1.2
169.10097	11.2
171.11673	12.0
173.13242	5.9
175.11307	1.0
175.14854	1.4
179.08475	0.9
180.09251	0.9
181.10104	5.1
182.10905	0.8
183.11659	10.0
185.13257	10.0
187.14836	2.1
193.10184	1.2
195.11670	5.2
196.12326	0.7
197.13196	7.5
199.14854	5.3
199.55563	0.6
201.16423	1.0
207.11687	1.7
209.13229	4.5
211.14842	3.4
213.12857	0.8
213.16476	2.4
221.13202	1.7
223.14825	2.8
225.16364	2.8
235.14777	1.5
237.16443	2.4
239.17989	0.9
241.19556	0.9
249.16362	1.2
251.17973	0.9
255.17497	0.8
257.26746	1.5
259.20459	0.9
265.19507	1.2
281.19049	0.9
283.20520	1.6
293.22507	0.9
295.20407	1.0
297.22205	1.3
309.22073	1.4
311.23740	1.1
315.23230	0.9
323.23709	2.1
325.25204	1.1
332.70807	0.9
335.23535	1.0
337.24994	1.0
341.24860	1.0
349.25266	1.2
353.24594	1.1
367.26062	0.9
379.26422	1.2
407.33197	1.4
417.31577	5.8
435.32571	16.4
437.34457	1.2
453.33594	6.9
471.34793	2.2
473.34216	1.7
491.35120	1.7
509.36209	11.3
516.52411	0.8
527.37231	100.0
528.37616	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	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01861	1.6
55.05503	11.0
57.03429	3.9
57.07064	1.3
65.03922	1.5
67.05495	23.9
69.03412	0.8
69.07054	8.6
69.76113	4.2
71.04972	1.5
79.05481	14.1
81.03405	5.7
81.06570	1.4
81.07043	18.2
83.04964	1.0
83.08614	6.2
85.06528	1.1
89.05982	0.8
91.05473	13.6
93.07033	14.1
95.04970	4.5
95.08595	14.4
97.06510	2.5
97.10154	3.6
98.21481	0.8
105.07021	14.0
107.04965	0.8
107.08590	9.6
109.06535	1.5
109.10138	6.8
111.08070	1.7
115.05423	1.6
117.07006	8.6
119.08565	10.6
121.06507	1.4
121.10120	6.6
123.08086	1.3
123.11667	1.4
124.86761	0.6
124.93792	1.0
125.09622	1.7
128.06190	1.7
129.05522	0.7
129.06998	8.1
130.07770	0.9
131.08549	15.1
133.10114	7.6
135.08005	0.8
135.11679	3.0
137.09593	1.0
141.06949	3.5
142.07759	2.1
143.08537	13.1
145.10110	12.4
147.11656	4.9
149.13171	0.6
151.11145	0.6
154.07701	0.9
155.08548	7.4
156.09360	1.1
157.06448	0.7
157.10097	12.3
159.11676	8.3
159.86015	0.6
161.13232	1.7
167.08510	3.2
169.10120	8.8
171.11664	9.3
173.13222	5.3
175.14763	1.6
181.10149	3.5
183.11670	7.2
185.09584	1.0
185.13254	7.8
187.14828	2.5
189.11200	1.0
193.10265	1.3
193.12270	2.7
195.11699	4.5
196.12540	0.8
197.13239	6.3
198.97409	7.9
199.14789	3.7
201.16417	0.8
207.11583	1.6
209.13184	4.4
211.14841	3.6
213.12828	0.7
213.16403	2.1
216.98489	0.8
221.13234	1.1
223.14838	1.9
225.16467	2.0
227.18039	1.3
235.14793	1.0
237.16451	1.3
239.17839	1.2
241.19522	1.0
243.17508	0.6
249.16423	1.3
253.19641	0.9
255.17381	0.8
261.22180	0.9
283.20493	1.0
295.20679	0.9
297.22162	2.0
309.22189	1.4
313.21643	1.0
315.23141	1.1
318.50488	0.8
323.20105	1.0
323.23865	1.5
327.23151	1.1
335.23502	1.2
337.25269	1.4
341.24979	1.2
351.27148	0.7
353.24652	1.2
417.31467	5.2
435.18893	0.8
435.32553	12.3
453.33841	4.9
471.34723	2.4
473.34265	1.8
491.35184	2.0
502.87070	0.8
506.36371	0.9
509.36313	8.4
511.43808	0.7
527.23688	5.9
527.37268	100.0
528.37860	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01867	0.9
55.05507	11.1
57.03423	1.5
57.07060	1.4
65.03916	0.7
67.05500	17.4
69.03424	0.9
69.07062	7.1
69.29212	7.4
71.04980	1.4
79.05482	13.4
81.03410	5.2
81.07048	19.1
83.04966	2.0
83.08606	5.8
85.06533	1.1
91.05472	12.4
93.07043	14.5
95.04952	3.6
95.08603	13.2
97.06516	1.6
97.10166	3.7
103.05476	0.7
105.07018	13.6
107.04928	0.8
107.08581	7.4
109.06496	1.5
109.10157	6.1
111.08087	1.4
115.05437	1.7
117.07004	7.4
119.08578	9.9
121.10141	5.7
123.08041	1.0
123.11691	0.7
125.09656	2.0
128.06232	1.8
129.06998	7.3
130.07820	0.7
131.08560	12.0
133.10132	6.9
135.08054	0.6
135.11670	3.6
141.06998	2.6
141.57066	0.6
142.07756	3.8
143.08557	11.1
144.09402	1.2
145.02892	1.0
145.10106	9.7
147.11661	3.3
149.09560	0.6
149.13197	1.4
154.07715	0.9
155.08563	5.3
156.09355	0.9
157.10114	11.4
159.11670	8.1
161.13281	1.9
165.06970	0.7
167.08563	2.5
168.09494	0.7
169.10106	7.5
171.11668	8.4
173.13208	5.0
175.11272	0.8
175.14877	0.7
177.05502	3.6
181.10135	2.7
183.11661	7.6
185.13257	6.2
187.14839	1.7
193.10283	1.0
193.12242	2.5
195.11755	2.7
195.13762	0.8
197.13232	4.4
198.97377	6.4
199.14812	4.4
207.11707	1.5
209.13240	3.4
211.14851	3.1
212.65334	0.6
213.16451	2.1
221.13286	1.3
223.14877	1.8
225.16397	1.6
235.14804	2.0
236.66826	0.6
237.16374	1.1
239.18033	1.2
247.14925	0.8
251.18001	0.8
257.18933	0.7
261.22260	0.9
269.18793	0.7
289.59772	0.7
295.20468	0.8
297.22052	0.8
300.11038	0.7
309.22040	1.2
315.23190	0.7
323.23352	0.8
327.23141	0.9
335.23453	0.7
337.25256	1.3
347.24057	0.8
353.24728	0.7
355.26468	0.7
379.26245	0.6
407.28781	0.8
417.31488	4.0
435.32605	12.2
453.33734	6.9
471.34592	1.9
491.35065	1.9
509.36374	7.9
527.23779	5.1
527.37305	100.0
528.37628	4.1
529.65955	0.6
539.06213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01863	1.4
55.05505	10.4
56.96546	1.2
57.03429	4.3
57.07069	10.3
59.04979	3.6
61.02909	0.9
61.30607	0.7
67.05497	7.2
69.03428	16.8
69.07060	49.9
69.98668	0.8
71.04995	4.3
71.08617	9.6
73.06548	9.0
79.05482	6.7
81.03403	5.1
81.07044	7.5
83.04963	1.3
83.08607	4.0
85.02897	11.9
85.10181	4.5
87.04459	11.5
89.06023	27.6
91.05460	5.4
93.07041	6.1
94.61063	0.8
95.04952	2.5
95.08598	3.0
97.02874	13.1
97.06547	0.9
98.20634	1.3
98.97585	1.2
105.07008	2.8
107.08582	2.3
109.02843	1.0
109.06496	1.0
111.00794	1.6
111.11710	76.0
115.03922	14.5
116.98644	1.0
119.08556	1.5
121.02881	1.0
121.10123	1.6
123.04472	0.9
126.23840	0.8
127.03931	1.7
129.12741	100.0
131.08472	1.2
133.04956	13.1
133.10146	1.4
139.03894	1.2
145.04947	1.5
149.09634	1.0
153.01816	9.2
159.11826	1.0
163.03928	1.4
165.01837	3.1
169.12411	0.8
177.00688	0.8
177.05475	1.7
179.03314	0.9
191.03401	1.4
199.16913	24.8
201.05516	0.8
205.04979	2.6
213.05464	0.8
217.04877	2.6
217.17969	43.4
219.02914	2.2
221.04384	1.2
231.08896	2.5
232.03503	0.8
233.04399	3.3
245.04454	2.6
255.06580	1.0
257.04462	1.0
261.03912	4.6
273.03873	2.5
274.15985	1.7
275.11523	2.3
285.04037	1.3
287.26541	0.9
289.03305	4.3
292.88675	0.8
297.03818	1.0
300.02744	1.2
301.03351	1.7
317.02820	4.5
318.03714	6.1
319.04404	9.0
329.02948	5.3
341.06607	1.0
343.04544	3.4
355.04510	2.4
357.05994	1.7
360.29568	1.0
369.05936	1.8
439.13763	1.2
466.15738	2.6
467.13318	3.5
482.15176	3.6
483.16324	2.8
493.15030	2.9
496.01733	1.0
502.55225	0.9
510.14594	9.5
511.08020	1.5
511.15894	49.8
528.15692	3.5
529.17004	53.5
529.33221	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	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01864	1.2
55.05502	11.0
57.03432	6.0
57.07068	12.4
59.04990	4.0
61.02904	0.8
65.03941	0.7
67.05498	7.8
68.99821	0.8
69.03421	19.2
69.07060	59.4
70.81265	2.1
71.04984	6.6
71.08618	9.2
72.72734	0.6
73.06544	10.6
75.04483	1.1
79.05486	8.4
81.03410	7.2
81.07056	7.5
81.45155	0.6
83.04989	1.2
83.08614	3.0
85.02407	1.2
85.02894	15.4
85.10153	4.0
87.04463	13.2
89.06023	28.9
91.05466	6.3
93.07025	6.5
95.04954	3.3
95.08595	3.9
97.02876	14.1
97.06519	1.5
97.10166	1.0
99.11724	0.8
103.24963	0.7
105.07040	4.0
107.04914	1.3
107.08614	1.2
109.02834	1.4
109.06485	1.0
109.10158	1.0
111.00800	0.9
111.04456	1.3
111.11706	84.7
112.12076	0.6
115.03911	14.1
117.06967	0.8
119.08569	2.2
121.02855	1.6
121.10137	3.0
123.04450	1.1
123.08081	0.9
123.11674	0.7
127.03886	2.2
129.12741	100.0
131.08537	1.4
133.04944	11.7
133.10141	1.1
135.08087	0.6
139.03886	1.5
145.04958	2.5
147.11684	1.5
149.09608	1.1
150.07594	1.2
153.01804	9.3
157.10129	0.8
163.03914	1.0
165.01784	4.0
165.05446	1.1
170.15393	2.0
177.05460	1.4
179.03342	1.6
183.42825	0.6
185.49933	0.7
189.05478	0.7
191.03427	1.5
199.16920	23.0
203.03371	1.0
205.05003	2.1
217.04988	2.8
217.17969	40.2
219.02885	1.8
226.18861	0.7
229.05017	1.4
231.02875	0.8
232.03595	0.7
233.04404	2.9
243.02815	1.4
245.04480	3.7
247.02354	0.8
250.89258	0.7
255.02834	0.8
257.04272	0.9
259.02539	0.7
259.05722	0.8
259.08215	1.4
261.03876	3.7
271.02142	0.7
273.04034	3.9
285.03961	1.8
287.05380	0.9
289.03302	5.0
299.05573	0.9
300.02621	1.9
301.03357	3.4
303.04752	1.1
315.05011	2.1
317.02856	5.7
318.03705	2.8
319.04419	14.0
327.04883	1.2
329.02896	7.7
331.04413	0.9
339.04962	0.9
341.06506	1.3
343.04468	3.9
348.25894	1.0
355.04504	4.6
357.06015	2.1
369.06305	1.7
371.65063	0.7
385.05472	0.8
388.15619	0.8
393.13449	0.7
411.14529	0.7
439.13690	1.9
449.12238	0.7
455.17810	0.7
467.13193	5.9
483.16663	3.5
485.14346	0.9
493.14783	2.4
510.14545	1.2
511.15930	54.5
528.15558	0.8
528.32471	6.4
529.16986	61.2
529.33344	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.50328	0.7
55.01869	3.7
55.05503	11.9
57.03437	4.2
57.07067	7.5
59.05000	3.5
61.02934	1.7
65.03930	1.3
67.05494	12.6
68.99780	1.6
69.03423	6.4
69.07060	38.2
70.75465	2.5
71.01339	0.8
71.04990	4.3
71.08620	6.7
73.02913	4.5
73.06549	7.3
79.05485	11.9
81.03412	9.7
81.07049	15.1
83.04964	2.5
83.08607	3.4
83.97540	0.7
85.02893	12.0
85.10184	3.6
87.04469	1.3
89.06023	19.5
91.05466	9.4
93.07030	10.7
95.04960	5.0
95.08597	6.4
96.88678	0.8
97.02881	6.6
97.06523	1.8
97.10155	0.6
97.44612	0.7
99.11726	0.7
105.07013	7.3
107.04965	1.3
107.08604	3.8
109.02857	2.5
109.06527	1.2
109.10146	3.4
111.00781	1.2
111.11704	54.3
111.83514	0.7
115.03918	3.2
117.06999	1.3
119.08562	4.5
121.02820	0.8
121.06518	1.7
121.10115	3.9
123.08059	0.7
123.11662	1.1
125.09654	0.7
127.03899	2.5
129.06976	2.5
129.12741	70.1
130.08595	0.9
131.08545	2.9
133.04953	2.9
133.10146	2.9
135.08064	1.3
137.02338	2.5
137.05940	1.0
137.09532	0.9
139.03897	2.5
140.55711	0.7
143.08551	0.9
145.04948	2.2
145.10075	1.4
147.08037	1.0
147.11702	1.6
149.09616	2.0
153.01785	12.6
153.02957	1.0
157.10121	1.6
158.10461	0.8
159.11621	1.1
163.03900	2.2
165.01848	7.1
173.13252	0.9
175.11119	1.5
177.05492	2.0
179.03416	0.9
183.02831	1.4
187.03886	0.9
189.05475	1.1
191.03413	2.7
193.12274	0.9
199.14999	1.5
199.16914	17.4
203.03310	1.7
205.05009	3.9
215.03374	1.4
217.04919	4.3
217.17979	28.4
219.02959	1.3
229.05032	1.9
231.02988	0.8
233.04468	5.4
241.09575	1.0
243.02859	1.8
243.06450	1.2
244.03719	1.0
245.04436	5.2
255.02777	0.9
257.04422	1.5
259.06073	0.9
261.03928	7.4
263.05405	1.5
272.23581	0.8
273.03854	6.2
283.05942	1.1
285.03897	2.7
287.05576	1.3
289.03387	6.7
290.04205	1.2
295.06082	0.8
299.01715	1.0
299.05435	1.2
300.02667	2.3
301.03262	3.6
303.05115	1.2
313.03058	1.1
313.06921	0.8
315.04889	4.4
317.02789	6.1
318.03705	2.8
319.04459	17.4
327.05075	1.1
329.02899	10.5
329.06479	1.1
341.06647	1.4
343.04425	4.8
355.04352	6.7
357.06006	3.4
369.06039	2.2
375.15451	9.4
389.34036	0.7
439.13708	2.7
449.12079	1.4
455.16678	1.1
465.15158	1.1
467.13293	11.1
482.15613	1.1
483.16287	3.6
485.14349	2.5
493.14694	5.2
510.13776	1.0
511.15933	83.9
528.19885	1.0
528.32263	11.2
529.16986	100.0
529.33582	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.01863	6.8
55.05502	6.2
56.96544	1.7
57.03428	2.7
59.59929	1.0
61.02913	1.6
67.05496	17.7
69.07054	14.6
71.06342	3.3
73.02883	1.4
74.28252	1.3
79.05478	15.2
81.03419	6.7
81.07049	24.7
83.04968	4.8
83.08598	2.6
85.02885	1.8
87.35410	1.3
91.05465	17.1
93.07034	18.1
95.01334	4.8
95.04966	6.8
95.08585	17.3
97.02897	1.4
97.06507	8.2
97.10133	2.0
105.07022	26.8
107.04937	11.3
107.08581	9.0
109.06500	2.4
109.10136	4.7
111.08050	1.9
117.06978	5.5
119.08567	14.0
121.06464	2.4
121.10126	5.0
123.04403	1.4
123.08078	3.0
125.09623	2.3
127.03964	1.3
131.08551	8.5
133.10106	14.3
135.11655	5.1
137.09547	2.1
138.85814	1.1
139.03845	1.5
141.17598	1.4
143.08513	3.0
145.06406	2.1
145.10118	6.4
147.11670	8.9
149.09610	4.0
149.13251	2.5
150.38690	1.4
155.08681	1.8
157.10132	1.6
159.11671	4.9
161.13307	3.0
163.11169	1.6
163.14783	1.7
169.09998	1.6
175.14799	1.6
177.12669	1.8
179.14310	5.7
183.11685	1.5
187.11145	2.4
197.13161	1.9
237.02872	2.1
257.19070	2.6
269.10529	2.1
275.20071	30.7
276.64203	2.3
293.21140	4.3
349.23697	100.0
350.24081	2.9
374.15994	1.7
488.48706	1.4
511.16092	1.9
529.16968	2.2
529.34760	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01852	2.1
55.05500	6.3
57.03430	3.6
57.07062	0.9
58.90595	0.5
61.02914	2.9
65.03914	0.9
67.05157	0.8
67.05490	9.7
69.03407	2.7
69.07059	6.5
69.38638	2.8
69.39066	2.9
71.04970	1.1
73.02886	1.3
79.05476	9.1
81.03396	1.1
81.07040	14.3
83.04969	3.8
83.08608	3.3
85.02893	2.9
91.03935	1.6
91.05460	8.7
93.06462	0.8
93.07029	12.4
95.04966	3.4
95.05469	0.6
95.08591	8.9
97.02876	1.9
97.06507	2.6
97.10121	0.9
98.21463	1.0
104.64359	0.7
105.07015	12.5
107.04944	3.8
107.08575	9.0
109.06503	4.5
109.10145	4.8
110.00517	0.6
111.08033	0.9
117.07030	3.3
119.08563	8.5
121.06476	5.3
121.10116	6.0
123.08072	3.1
123.11709	1.7
125.09627	1.0
129.07004	1.3
131.08554	10.0
133.06442	1.5
133.10106	8.8
135.08034	2.0
135.11656	3.5
137.09601	1.5
139.11163	0.8
143.08517	1.4
145.06407	0.7
145.10103	7.9
147.07976	1.7
147.11661	5.7
149.09583	4.1
149.13232	2.1
151.11073	3.3
155.08533	1.2
157.10092	2.5
159.08025	1.7
159.11688	5.6
161.09584	2.2
161.13232	1.8
163.11104	4.0
169.10085	1.3
171.11688	1.5
173.09595	1.3
173.13240	3.5
175.11171	1.8
175.14824	0.8
177.12756	1.4
183.11658	2.1
187.11099	1.3
187.14807	1.2
191.14275	1.8
197.13235	1.1
201.12720	1.3
201.16220	0.7
207.13817	2.0
211.14771	0.7
213.16356	1.1
215.17920	0.9
219.13712	1.5
229.19424	1.7
239.17949	2.7
247.20546	1.7
257.18961	6.7
275.20026	41.4
276.63779	1.3
284.12646	4.2
284.62738	2.0
293.20984	8.0
349.23669	100.0
350.23935	1.5
367.24738	5.3
385.74414	0.7
529.29449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01086	0.2
53.03925	0.6
55.01863	0.8
55.05503	3.3
57.03415	0.9
57.07073	1.3
59.04980	0.3
61.02913	0.4
65.03925	0.6
67.05499	4.8
68.99748	0.6
69.03423	1.6
69.07059	5.0
70.07386	0.7
71.04984	0.8
71.08616	0.6
71.23423	0.4
73.06540	0.8
79.05048	0.4
79.05482	5.9
81.03411	4.6
81.06568	0.3
81.07046	5.8
83.04980	1.2
83.08608	0.9
85.02890	1.6
85.06516	0.6
87.04462	0.7
89.06020	1.7
90.06360	0.3
91.05466	5.0
93.07034	5.0
95.04961	2.1
95.08582	2.7
97.02879	1.2
97.06490	0.6
97.10173	0.5
99.08094	0.4
103.05443	0.3
105.07031	3.3
107.04942	0.7
107.08595	2.0
109.02874	0.9
109.06522	0.7
109.10137	1.2
111.00793	1.0
111.04400	0.3
111.08094	0.6
111.11705	3.8
112.12051	1.7
115.03929	0.8
117.06993	0.7
119.08558	3.0
121.02856	0.5
121.06479	0.5
121.10123	2.0
123.04362	0.3
123.08034	0.4
123.11678	0.9
125.09615	0.4
127.03864	0.6
129.07031	0.6
129.12741	5.3
130.13069	2.4
131.04945	0.3
131.08559	1.9
133.04962	0.9
133.06493	0.3
133.10109	1.5
135.11700	0.5
137.02333	0.8
139.03891	1.7
142.07782	0.4
143.08601	0.7
145.04897	0.3
145.06483	0.3
145.10127	1.9
147.04463	0.5
147.07980	0.3
147.11676	1.3
149.09601	0.8
151.03795	0.3
151.11162	0.3
153.01816	5.8
155.08476	0.4
157.10101	1.1
159.11674	1.0
161.05972	0.3
161.13231	0.4
163.03893	0.9
165.01830	2.8
169.10123	0.3
171.02838	0.3
171.04356	0.4
171.11653	0.6
173.09497	0.4
173.13246	1.0
175.03748	0.3
175.11159	0.3
177.05461	0.7
179.03365	0.7
181.10175	0.3
182.10948	0.3
183.11740	0.3
185.09381	0.2
185.13257	0.6
187.04007	0.4
187.14824	0.8
189.05438	0.7
191.03369	1.1
193.01323	0.3
193.12181	0.5
199.14819	1.2
199.16901	0.7
200.17308	0.8
201.05397	0.3
201.16362	0.3
203.03339	0.8
203.05183	0.6
205.04892	1.8
207.02933	0.3
209.13432	0.3
215.03436	0.5
217.04955	2.0
217.17921	1.6
218.18254	1.4
219.02898	1.3
229.04874	1.0
231.02753	0.6
231.06442	0.4
233.04449	2.9
234.04955	0.4
243.02840	0.5
243.06491	0.5
244.03592	0.5
245.04427	2.7
247.02403	0.4
255.06606	0.4
257.04477	0.7
259.02307	0.5
261.03900	3.6
269.04507	0.4
271.05936	0.4
273.03864	2.5
274.15930	0.4
275.19986	0.5
277.19080	0.3
285.03900	0.7
287.05536	0.5
289.03433	4.0
290.04059	0.7
295.05966	0.4
300.02606	0.8
301.03464	2.1
311.05536	0.4
313.03247	0.4
313.06845	0.3
315.04822	1.4
317.02884	4.6
318.03662	5.3
319.04434	10.6
320.04861	0.6
327.05121	0.7
329.02899	5.0
329.06488	0.3
330.03265	0.4
331.04395	0.4
339.04953	0.4
341.06647	0.7
343.04407	3.0
345.06149	0.3
349.27002	0.8
355.04437	3.0
357.06049	1.1
367.28101	1.1
369.06003	1.7
381.05649	0.4
385.05466	0.4
405.27802	0.5
409.28152	0.3
411.14258	0.5
427.17996	0.3
433.27255	0.4
435.29016	1.4
439.13843	1.4
449.12283	0.5
451.28531	0.7
455.16965	0.5
465.15262	0.4
467.13351	3.8
468.13486	0.7
483.16428	2.2
485.14410	0.7
493.14832	2.9
493.29416	0.3
499.31766	0.5
511.15930	40.1
512.16278	5.2
529.17017	39.6
529.33411	100.0
530.17419	4.6
530.34100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06244	1.1
53.03942	2.9
53.04203	1.0
53.28711	1.1
54.02333	1.2
55.01860	2.3
55.05505	13.8
57.03422	1.9
57.07073	3.3
65.03932	3.0
65.72446	1.1
67.05497	37.3
69.07058	11.4
69.69691	4.4
69.70103	3.9
71.04984	2.0
71.08646	1.3
79.05490	29.5
79.05955	1.7
81.07045	42.9
83.04977	4.4
83.08608	9.1
83.90209	1.2
83.97684	1.2
85.06548	1.8
91.05466	23.2
93.07034	32.8
95.04969	4.4
95.08598	24.2
96.08937	1.2
97.06531	3.6
97.10177	3.9
98.21188	4.2
98.54658	1.2
105.07008	17.5
106.28435	1.2
107.08585	18.5
109.06528	3.0
109.10126	9.5
111.08101	3.7
115.76041	1.2
117.06995	9.0
118.20750	1.1
119.08568	9.4
121.10127	13.5
123.08089	1.8
123.11713	2.5
125.09608	2.1
127.34622	1.2
129.07030	4.5
130.07809	1.5
131.08551	17.9
133.10101	12.5
135.11659	9.5
143.08560	5.5
145.10118	9.5
147.11682	8.2
149.13240	7.1
155.08612	3.4
157.10146	5.2
159.11676	12.7
161.13211	2.4
163.11244	1.4
169.10112	2.4
171.11653	7.7
173.13274	7.1
175.14934	1.6
177.12892	1.2
181.10257	1.7
183.11691	1.5
185.13234	4.1
187.14812	2.5
195.11771	1.3
195.13857	3.4
197.13310	2.7
198.97385	1.9
199.14836	2.1
201.16454	1.3
209.13362	1.5
213.16560	1.4
233.08734	1.5
239.18094	1.4
259.20538	1.7
275.20023	1.7
332.74637	1.3
332.78928	1.3
419.33298	2.3
437.34348	8.2
455.35480	2.9
511.38153	6.8
529.38953	100.0
530.39398	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01842	1.8
55.05254	0.9
55.05503	14.3
57.03430	3.2
57.07058	2.1
62.07046	0.6
63.27397	0.6
65.03922	2.1
67.05494	42.0
69.03416	0.7
69.06706	1.0
69.07057	12.8
69.27706	1.2
69.28045	7.4
71.04977	2.1
73.06519	0.6
79.05483	32.3
81.03410	1.1
81.07044	46.8
83.04958	2.9
83.08611	8.3
84.05323	0.5
84.78819	0.6
85.06542	1.8
87.04449	5.8
91.04893	0.8
91.05467	20.8
93.07030	38.0
95.04954	5.6
95.08591	24.4
97.06504	4.6
97.10144	2.5
99.08080	0.9
105.04477	1.0
105.07008	16.6
107.04932	0.8
107.08581	19.1
109.06499	2.2
109.10146	8.2
111.08100	1.5
112.47449	0.7
115.05454	1.1
117.07012	10.9
119.08562	12.4
119.09348	1.1
121.06502	1.0
121.10121	13.4
123.08073	0.7
123.11691	2.9
125.09649	1.0
128.06216	0.9
129.07004	3.7
131.08546	15.8
133.10112	12.8
135.08034	1.3
135.11688	8.5
138.89949	0.6
141.06996	0.8
142.07693	0.9
143.08557	5.1
145.10098	10.9
147.11664	5.2
149.09647	1.1
149.13245	10.8
155.08540	2.0
157.10123	6.0
159.11682	12.0
161.13255	2.8
167.08575	1.1
169.10115	2.3
171.11652	4.4
173.13229	6.5
175.14816	1.7
177.12743	2.5
181.10135	1.4
183.11751	2.2
185.13243	4.0
187.14839	3.1
189.16406	0.8
195.11754	1.0
195.13803	3.4
197.13286	2.4
199.14832	2.4
201.16432	1.7
209.13335	1.2
211.14842	1.2
213.14703	0.9
213.16496	0.9
223.14827	1.1
225.16501	1.3
253.17902	0.9
257.18896	0.9
261.22263	1.6
283.20624	1.1
285.22223	0.8
297.21976	0.9
299.23645	0.9
317.24713	0.7
325.25586	0.7
374.02811	0.6
403.28326	0.9
419.33096	2.0
437.34259	7.4
452.81116	0.6
455.35367	3.4
473.36261	2.4
511.37738	5.6
529.38837	100.0
530.38330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01861	1.4
55.05254	0.7
55.05508	11.8
57.03428	2.9
57.07061	1.6
59.99848	0.6
65.03936	2.0
66.85709	0.5
67.05499	42.3
69.03416	0.9
69.07063	12.2
69.28804	5.3
71.04982	2.2
71.08624	0.6
75.60654	0.5
79.05482	32.1
81.03403	1.3
81.07050	43.7
83.04984	3.7
83.08610	7.6
85.06528	2.0
91.04885	0.6
91.05470	19.7
93.07032	43.0
95.04956	6.5
95.08598	23.7
97.06520	5.3
97.10161	2.2
99.08094	1.3
105.04522	0.9
105.07015	13.0
107.08582	21.7
109.06541	1.6
109.10136	6.2
111.08074	3.1
111.11697	1.0
117.06988	6.7
119.08566	8.7
121.06464	0.6
121.10134	16.3
123.08080	0.5
123.11681	1.6
125.09622	0.7
128.06204	0.7
129.06982	1.7
131.08551	10.7
133.10127	7.5
135.08090	0.7
135.11687	10.2
139.11177	1.4
143.08542	3.0
145.10121	6.1
145.67130	0.5
147.11690	3.7
149.09619	0.8
149.13246	16.3
155.08511	1.2
157.10080	2.4
159.11665	9.9
161.13272	2.9
163.14880	0.7
169.10101	1.2
171.11697	2.2
173.13216	3.3
175.14857	1.1
177.12766	3.3
183.11700	0.7
185.13275	1.6
187.14818	2.1
195.13777	6.2
197.13220	0.8
199.14821	0.8
201.16412	0.6
209.13231	0.6
213.14818	1.2
213.16579	0.7
215.18030	0.7
232.36398	0.5
243.21063	0.8
261.22220	4.6
285.22162	0.8
302.63483	0.5
317.24792	0.9
419.33163	0.8
431.92386	0.6
437.34320	3.6
455.35278	2.2
473.36111	0.9
511.37839	3.3
529.38849	100.0
530.39374	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01851	1.7
55.05503	13.4
57.03417	2.5
57.07048	1.9
65.03912	3.0
67.05495	48.7
69.03403	1.6
69.06709	1.2
69.07059	15.4
70.44007	2.2
71.04964	2.2
79.05480	34.5
81.03412	1.3
81.07044	52.9
83.04964	3.0
83.08608	10.4
85.06541	1.5
91.05466	25.3
93.07030	46.3
95.04948	7.2
95.08591	25.0
97.06519	4.5
97.10136	2.2
99.08064	0.9
105.07015	16.1
107.08581	25.9
109.06494	1.1
109.10145	8.6
111.08057	2.9
112.39577	0.7
115.05428	1.2
116.12739	0.7
117.06989	8.0
119.08558	10.7
121.06413	0.9
121.10118	19.6
123.08035	1.2
123.11704	2.7
129.07005	2.6
131.08556	14.1
133.10109	11.4
135.08058	1.2
135.11687	9.9
143.08545	3.0
145.10106	7.9
147.11644	7.1
149.13226	14.4
155.08582	1.5
157.10106	4.0
159.11656	8.4
161.13245	3.2
169.10071	2.1
171.11639	3.9
173.13237	4.8
175.14763	1.7
177.12744	2.5
183.11647	2.2
185.13255	2.3
187.14798	2.6
193.10123	1.1
195.12169	0.7
195.13800	4.9
197.13258	1.2
199.14821	2.0
201.16228	0.9
211.14871	0.9
213.14714	1.2
213.16460	1.3
223.14932	0.9
237.16351	0.8
261.22125	2.5
285.21976	0.9
403.27655	0.9
419.33240	0.9
437.33960	3.8
455.34991	2.3
511.37692	3.2
529.38782	100.0
530.39081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99334	0.8
53.03937	3.1
55.01864	1.2
55.05509	12.9
57.03425	3.1
57.07062	2.0
57.85435	0.9
61.89565	0.8
65.03929	1.9
67.05499	45.0
69.07062	15.7
70.06597	1.0
71.04974	2.2
71.07138	2.7
79.05486	29.5
81.03397	2.5
81.07048	48.2
83.04970	2.3
83.08605	7.9
85.06560	2.2
87.54917	1.0
88.07623	1.9
91.05473	24.2
92.02514	1.0
93.07035	41.3
95.04947	7.0
95.08030	1.9
95.08599	25.2
95.41093	1.0
97.05982	1.1
97.06487	4.7
97.10164	3.0
97.85255	1.0
99.08120	1.5
105.07024	15.9
107.04919	1.1
107.08585	22.5
108.09962	0.9
109.06519	2.3
109.10142	8.2
111.08091	3.6
113.09674	1.2
117.07023	8.0
119.08562	11.2
121.10130	15.6
123.08109	1.2
123.11726	1.9
129.07018	3.0
130.07823	1.0
131.08562	15.9
133.10115	11.1
135.11682	8.2
137.09586	1.3
139.11255	1.1
141.00230	0.9
141.07010	1.3
143.08588	3.5
145.10129	8.5
147.11681	6.4
149.13237	15.0
155.08563	1.5
157.10127	3.9
159.11703	10.0
161.13255	3.6
169.10072	1.5
169.20963	0.9
171.11728	2.9
172.52872	0.9
173.13229	5.2
177.12784	2.2
183.11702	1.1
185.13248	2.0
187.14871	2.5
189.16321	1.2
195.12170	1.0
195.13721	5.0
197.13313	1.8
199.14821	1.3
213.04442	0.9
239.17899	1.2
240.82242	1.0
243.21062	1.1
253.14490	0.9
256.26331	11.6
261.22137	2.7
275.20163	2.0
299.23602	1.4
308.78333	1.2
308.82205	1.1
315.23203	1.1
391.40961	0.9
397.22318	1.1
437.34610	5.2
455.35223	3.3
473.36691	1.4
511.37930	3.8
529.38940	100.0
530.38599	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17208	0.9
53.03935	3.5
54.85242	0.8
55.01859	3.5
55.05250	1.7
55.05500	18.7
55.33900	1.0
55.82996	0.8
57.03429	16.6
59.04980	1.1
63.73965	0.9
65.03923	1.3
67.05496	26.8
69.03426	4.6
69.07057	7.7
69.70820	6.2
71.04980	5.9
73.06568	0.8
79.05051	1.8
79.05486	28.1
81.03410	75.9
81.06564	1.9
81.07046	31.8
82.07387	1.0
83.04971	20.0
83.08610	25.6
85.02896	30.4
85.06535	2.7
91.05471	38.8
93.07034	20.7
95.04961	33.3
95.08599	13.9
97.02885	3.2
97.06509	6.1
97.10167	4.8
98.20799	1.8
98.21447	1.4
99.08090	1.7
103.05461	0.9
105.07019	26.3
107.04943	7.7
107.08574	9.2
109.06501	7.7
109.10143	2.8
111.04424	2.4
111.08071	13.8
113.05982	3.6
115.05433	2.1
117.07001	3.1
119.08566	21.8
119.09342	1.7
121.06514	2.2
121.10120	9.5
123.08072	4.0
123.11667	1.6
125.09607	1.9
129.06992	16.2
131.08553	13.6
133.06479	3.2
133.10101	15.5
135.08057	1.3
137.09595	2.0
140.51950	0.9
142.07732	4.7
145.10100	2.3
147.08061	4.4
147.11667	18.2
149.09618	7.5
157.10109	18.2
165.12737	3.4
175.11160	20.4
184.07324	0.9
193.12225	60.9
194.12566	1.2
211.13264	100.0
213.75513	0.9
256.21893	1.0
267.15887	28.3
275.20355	1.0
285.16925	95.6
286.17126	1.2
327.68256	0.9
350.23953	3.8
367.22632	1.6
385.23810	1.5
459.27289	9.3
477.28485	13.0
495.29520	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	531.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01856	0.9
55.05494	1.8
67.05491	1.7
68.05824	0.5
69.03439	1.0
69.07054	1.2
71.61170	0.6
79.05485	2.0
80.05812	0.8
81.03414	1.0
81.07055	2.2
83.08621	1.0
85.02897	1.4
91.05472	2.1
92.05800	0.4
93.07040	2.3
94.07354	0.4
95.04970	0.8
95.08590	1.6
97.02879	0.7
97.06544	0.8
99.04446	0.4
103.98261	0.4
105.07025	2.0
107.08610	1.4
109.10165	0.8
115.03915	0.4
117.06992	0.7
119.04854	0.5
119.08585	1.1
121.10130	1.4
123.04411	0.8
123.08032	0.5
127.03893	0.5
131.08566	0.9
133.10155	1.7
135.11642	0.4
139.03880	0.9
145.10120	0.7
153.01855	1.6
154.02226	0.5
157.10210	0.5
159.02660	1.7
159.07936	0.4
159.11659	0.5
161.09718	0.7
163.03925	0.6
165.01682	0.5
173.02370	0.4
173.13206	0.5
184.07422	0.5
187.14835	0.5
201.59332	0.4
203.05293	0.5
205.04971	0.5
213.05499	0.7
227.06960	0.5
233.04237	0.4
234.04848	0.7
271.14355	0.5
279.83417	0.5
291.04358	0.6
302.03595	0.5
319.03876	1.1
320.04581	1.2
321.05032	1.3
357.05341	0.5
369.29593	0.6
387.26318	0.4
395.14365	1.7
469.13885	1.0
495.15680	1.4
511.15979	0.6
513.16553	12.3
514.16998	1.0
531.17914	17.1
531.34937	100.0
532.18384	1.6
532.35352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77365	3.1
55.01867	9.3
55.05508	25.2
57.03427	11.1
57.07049	3.6
64.19342	3.1
67.05495	58.1
69.07043	17.6
71.04976	4.6
71.63225	4.0
73.02065	2.8
79.05485	44.9
81.03436	5.9
81.07049	46.4
83.04991	4.9
83.08609	13.7
85.06518	3.8
91.05469	38.6
93.07029	47.6
94.07332	4.1
95.04985	8.3
95.08596	33.1
97.06538	7.2
97.10165	5.4
105.07016	38.3
107.08588	25.4
109.10149	21.3
117.07044	15.4
119.08566	42.2
121.10117	16.3
123.08080	5.1
123.11697	5.8
125.09627	3.6
129.06999	14.8
131.08559	29.9
133.10095	31.4
135.11688	22.8
141.06923	3.8
143.08527	17.0
145.10132	35.2
147.11647	22.5
149.09598	3.8
149.13257	5.5
151.11159	3.5
155.08539	9.5
155.65884	3.5
157.10092	18.4
159.11688	27.0
161.09627	4.5
161.13272	12.7
167.08626	3.2
169.10156	9.0
171.11703	20.2
173.13171	21.8
175.14812	6.2
181.10152	4.2
181.12234	6.9
183.11702	8.7
185.11739	3.3
185.13301	15.0
187.14754	9.7
189.16452	3.3
191.47255	3.2
195.11659	4.3
197.13272	11.6
199.14795	9.5
209.13200	5.4
211.14743	3.1
213.16469	4.0
214.99103	3.8
223.14996	3.6
227.17821	3.4
227.45790	3.2
241.19420	5.7
253.14346	5.6
255.15918	15.5
259.20520	18.6
297.18713	3.8
333.24280	8.3
403.29910	5.9
411.32791	8.7
421.30914	24.2
439.32022	18.6
457.32953	14.9
485.36234	5.7
495.34412	8.8
501.35812	6.0
503.37192	33.5
513.35724	100.0
520.02509	3.4
531.36853	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3675
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
53.03950	2.5
55.01862	3.9
55.05506	25.0
57.07064	5.4
59.69095	1.8
65.03923	3.1
67.05162	3.5
67.05499	48.5
67.53787	1.8
69.07059	18.4
71.04977	4.5
78.38410	1.7
79.05489	38.1
81.03413	4.4
81.07045	40.9
83.04974	7.0
83.08617	13.4
89.86095	1.9
91.04947	3.9
91.05471	39.1
93.07036	43.6
95.04966	7.0
95.08599	30.5
97.06525	5.1
97.10159	7.0
97.99107	2.0
98.21462	3.6
99.08078	2.6
102.29860	1.8
105.07018	41.8
107.08581	29.4
109.06520	3.7
109.10133	16.8
117.07021	16.6
119.08572	36.5
121.10125	17.1
123.08066	3.3
123.11705	3.8
125.09659	5.4
128.06212	5.3
129.06985	13.5
131.08565	28.7
133.10114	24.6
135.11685	19.0
137.09576	2.3
142.07828	3.9
143.08568	20.8
145.06441	2.2
145.10086	35.8
145.11118	2.5
147.07971	2.8
147.11673	24.5
149.09587	3.1
149.13249	6.4
151.11185	2.0
155.08543	8.6
156.09338	2.4
157.10126	18.7
159.11690	24.8
161.09550	2.4
161.13260	13.6
163.11163	3.8
163.14787	2.0
169.10097	12.2
171.11699	19.0
173.13251	17.3
175.11057	2.6
175.14853	6.2
181.10127	4.6
181.12242	3.1
183.11682	11.4
185.13237	16.4
187.14795	9.1
195.11697	4.9
197.11679	2.4
197.13170	10.8
199.14824	9.7
201.16302	3.8
209.13220	4.7
211.14876	6.2
213.16371	6.8
221.13278	2.5
223.14838	3.8
225.16507	4.4
241.19580	9.8
253.14313	5.5
255.15825	15.2
259.20566	20.0
267.21155	2.5
271.20477	3.1
279.21136	2.5
283.20651	3.3
285.21930	3.6
287.23608	2.7
297.22040	2.5
301.21695	2.8
309.22238	2.6
315.23395	4.4
333.24228	9.0
393.31418	3.3
403.30075	2.9
409.31073	3.7
411.32556	6.6
421.30936	15.7
439.31921	17.0
457.33200	14.2
485.36349	5.7
495.34503	8.2
501.35336	5.9
503.37137	29.9
513.35748	100.0
531.36713	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28602	0.5
51.02378	0.8
53.03932	1.3
55.01870	1.7
55.05510	3.6
57.03172	1.0
57.03433	10.0
59.04995	0.9
61.02916	2.2
65.03922	0.9
67.05505	2.5
69.03423	5.2
69.07021	0.5
70.00135	3.1
70.06588	0.7
71.01353	1.0
71.04988	66.7
73.02918	3.0
75.04472	4.8
79.05488	17.0
81.03416	4.2
81.07050	63.1
83.04976	11.3
85.02898	100.0
85.06532	7.5
86.06084	0.8
86.09688	0.7
87.04456	2.5
91.05472	1.5
93.07047	3.5
95.04960	3.9
95.08601	2.1
97.02891	7.7
97.06506	1.4
98.89066	0.5
99.04452	2.4
99.08078	0.6
101.05994	1.5
103.03931	1.4
105.03381	10.6
105.07037	2.2
107.04961	0.8
107.08577	1.6
109.02880	1.7
109.06495	1.8
109.10146	1.2
111.04446	7.9
111.08116	1.4
115.03957	0.5
117.07021	0.7
117.95555	0.5
119.08578	1.4
121.02849	0.8
121.06474	1.4
121.10139	1.3
123.04417	24.7
123.08044	2.0
125.06003	0.9
127.03896	6.1
129.05473	42.0
131.04903	0.6
131.08574	1.4
133.10130	1.1
135.06215	0.5
135.08049	1.4
137.06010	0.8
137.09610	1.0
137.57568	0.5
139.03880	1.7
139.07509	1.2
145.04953	9.1
145.10100	1.0
146.08131	1.2
146.10548	0.6
147.06517	20.7
147.07819	1.1
149.09601	1.2
151.07526	1.3
153.09119	0.6
159.11714	1.2
161.09567	0.5
163.03883	1.2
163.06042	3.0
163.07257	0.5
164.09192	2.7
165.07597	1.0
165.09085	1.2
167.10712	0.8
169.08583	0.7
173.13269	0.7
175.14915	0.7
177.09146	1.8
185.13252	0.6
188.09282	0.7
189.09135	5.6
189.12790	0.9
191.14333	1.7
195.10176	2.4
203.10640	6.3
210.96906	1.2
213.11252	4.9
228.97966	1.0
229.10760	0.9
231.12318	1.4
233.08012	1.0
255.08658	1.4
273.09717	1.9
285.09814	1.0
309.11792	2.1
328.97403	0.6
456.31415	1.2
509.03995	0.8
514.16736	0.8
532.18835	0.7
532.29327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
56.05021	0.6
57.03413	0.2
58.06339	0.2
58.06617	0.4
60.08155	5.8
67.05487	0.3
69.07063	0.4
69.89112	0.8
70.83508	0.1
71.07360	2.6
79.05490	0.4
81.07014	0.7
85.02870	0.3
86.09693	28.7
91.05478	0.4
93.07028	0.5
95.04922	0.1
95.08598	0.6
98.21028	0.4
98.98450	2.5
104.10735	4.0
105.07005	0.5
107.04922	0.2
107.08574	0.5
109.06519	0.2
109.10168	0.3
119.08545	0.5
124.99986	19.4
135.11652	0.2
143.01019	0.4
145.10124	0.2
147.11662	0.3
159.11778	0.2
161.13260	0.2
161.94864	0.1
184.07315	100.0
185.07652	0.3
203.17931	0.4
245.69370	0.1
258.10898	0.2
344.19531	0.1
514.29230	1.1
532.30261	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	532.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05032	0.5
58.06627	0.5
59.07390	0.1
60.08157	6.2
67.05482	0.2
69.37634	0.5
69.38058	0.6
70.06590	0.1
71.07365	2.8
74.28048	0.1
79.05482	0.3
81.07044	0.4
86.09697	29.4
91.05467	0.2
93.07024	0.4
95.08595	0.3
98.20872	0.3
98.98449	2.5
104.10730	3.6
105.07028	0.5
107.08586	0.3
109.06498	0.1
109.10173	0.2
116.99474	0.1
119.08575	0.5
121.10130	0.2
124.99992	19.9
131.08583	0.3
133.10129	0.5
143.01050	0.5
145.10129	0.3
146.10443	0.1
147.11670	0.2
155.08623	0.1
157.10114	0.2
159.11681	0.2
184.07321	100.0
185.07617	0.3
185.13274	0.1
188.15147	0.1
189.16403	0.1
198.13466	0.1
199.14813	0.1
200.15294	0.1
233.26584	0.1
238.98271	0.1
258.11038	0.2
337.75836	0.1
418.28479	0.2
436.29327	0.2
456.31818	1.5
470.29623	0.2
496.31415	0.2
502.32507	0.2
514.29181	1.3
532.30328	8.0
533.30359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
56.05028	1.0
57.03426	0.3
58.06569	1.4
59.07349	0.3
59.37385	0.2
60.08157	15.2
60.81038	0.2
62.14873	0.2
67.05489	1.3
69.07043	0.6
69.46901	0.7
69.47318	1.6
70.06592	0.3
71.07369	5.6
72.08142	0.4
79.05486	1.0
81.07047	2.0
83.04969	0.4
86.09695	44.6
88.86270	0.3
91.05464	1.0
93.07028	1.2
95.04942	0.5
95.08598	0.8
98.21552	0.4
98.98456	3.2
104.10731	100.0
105.07047	1.0
107.04901	0.4
107.08585	1.0
109.06495	0.3
109.10150	0.4
117.07022	0.4
119.08555	1.0
121.06525	0.5
121.10192	0.3
124.99988	23.1
131.08543	1.0
133.10139	1.1
143.01042	0.5
143.08614	0.3
145.10063	0.3
147.11708	0.6
149.13268	0.3
155.44467	0.3
157.10216	0.3
159.07980	0.3
159.11641	0.4
163.01527	0.3
166.52875	0.3
171.73405	0.3
173.13261	0.4
184.07318	80.3
189.33501	0.2
221.15407	0.4
258.10849	0.4
275.20090	1.2
303.19943	0.3
349.23807	0.5
514.29248	5.4
532.30286	45.9
533.31030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2564
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
55.05493	0.7
57.03423	0.6
67.05481	1.1
69.03416	1.3
69.07075	1.7
69.42500	2.0
69.42915	1.1
71.04978	1.0
79.05491	0.6
81.03421	0.7
81.07049	1.7
81.51247	0.3
83.04974	0.5
85.02885	1.9
85.06535	0.4
87.04445	0.5
91.05462	0.9
93.07032	1.0
95.04948	0.7
95.08572	1.8
97.02875	1.0
97.06473	0.6
99.04459	0.5
105.07047	2.4
107.08582	1.5
109.06509	0.4
109.10147	1.4
111.04446	0.3
117.07001	1.0
119.08565	1.5
121.06485	0.6
121.10127	1.2
123.04419	0.6
123.08094	0.4
123.11691	0.6
125.94154	0.3
127.03866	0.7
129.06996	0.6
131.08553	0.7
133.10117	1.8
135.08052	0.4
135.11693	0.4
139.03915	1.9
140.04135	0.4
143.08537	0.5
145.10097	1.2
147.11703	0.5
149.02301	0.5
149.13213	0.4
157.10074	0.5
159.11620	0.6
160.56973	0.3
161.09618	1.0
163.03914	1.1
169.10121	0.7
171.11729	0.6
173.13260	0.7
175.14842	0.4
177.12727	0.3
179.10725	0.4
184.07333	1.1
187.14740	0.5
189.12692	0.6
189.16449	0.4
191.14482	0.5
213.05392	0.3
219.13869	0.4
221.15340	0.5
303.04843	0.6
313.16177	0.4
317.08322	1.0
318.04028	0.4
335.09415	2.7
371.11127	1.4
371.15201	0.7
387.10605	0.7
388.03073	0.3
397.23615	0.8
401.21442	0.5
404.31378	0.3
420.78195	0.3
445.20410	26.5
446.20853	0.6
451.27921	0.6
469.29630	2.2
480.17368	0.5
515.29913	1.5
533.25629	100.0
533.34180	3.5
534.25903	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	533.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68097	0.3
53.03939	0.3
55.01859	0.4
55.05494	0.5
57.03436	0.7
65.03947	0.3
67.05497	1.0
69.03419	1.1
69.07062	1.1
71.04989	2.7
71.61053	0.6
73.32650	0.3
77.31137	0.3
79.05479	1.0
79.05888	0.3
81.03424	0.5
81.07045	1.7
83.04967	0.4
85.02897	4.2
86.09702	0.4
91.05487	0.9
93.07055	0.9
95.04948	0.5
95.08603	1.1
97.02884	0.7
97.06528	0.6
105.07014	1.9
107.04980	0.3
107.08595	1.0
109.10164	0.5
115.03977	0.4
117.06998	0.6
119.08569	1.0
121.06521	0.6
121.10126	0.5
123.04442	0.4
127.03877	0.5
129.05499	0.5
129.44861	0.3
131.08580	0.7
133.10098	0.9
135.11711	0.5
137.05994	0.5
139.03873	0.8
143.08569	0.5
144.09352	0.3
144.52869	0.3
145.10143	0.8
147.11661	0.4
153.01819	0.3
157.10130	0.3
161.03012	0.3
161.06023	0.4
161.09546	0.7
161.13295	0.4
163.03845	0.8
167.07028	0.4
173.13289	0.4
184.07286	0.4
199.07539	0.3
205.04955	0.4
215.14270	0.4
219.10252	0.5
233.15411	0.4
241.04634	0.3
251.16328	0.3
285.09940	0.6
317.08463	0.7
335.09393	1.9
351.14612	0.4
369.09622	0.8
371.15170	0.4
387.10663	3.1
392.74146	0.3
445.20389	23.0
446.20697	0.9
487.31079	0.4
497.28366	0.4
505.15112	0.8
515.30261	0.6
528.76886	0.3
531.15045	0.4
533.25647	100.0
533.35193	8.3
534.26074	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01865	4.0
55.05493	6.0
57.03416	4.8
59.05000	2.0
59.78221	1.9
60.64555	2.2
61.02928	2.7
63.59130	2.1
67.05492	7.2
69.03421	19.6
69.07045	7.7
70.06580	2.8
70.72892	4.1
71.04972	8.4
73.02905	3.1
79.05477	11.4
81.03401	7.8
81.07046	15.5
83.04990	13.1
83.08628	3.6
85.02888	27.8
85.06551	3.0
85.17987	2.3
86.09697	2.6
87.04433	2.8
91.05473	11.8
93.07016	11.6
95.04951	9.7
95.08597	20.7
97.02906	10.3
97.06512	4.2
98.97544	2.0
99.04427	6.6
99.08078	4.9
105.07018	18.9
107.04938	7.9
107.08588	33.0
109.02871	2.8
109.06491	11.0
109.10139	16.2
111.66082	2.1
115.03895	2.4
117.07055	3.0
119.08556	15.0
121.06485	6.5
121.10136	28.4
123.08049	11.2
123.11692	4.2
125.09608	9.2
127.03888	6.2
129.06970	4.4
131.04916	4.2
131.08546	14.4
133.06499	3.4
133.10121	26.9
135.08052	11.8
135.11688	5.6
137.05962	5.9
137.09555	12.2
139.03932	3.5
139.11139	4.4
143.08521	6.1
145.05008	4.0
145.10115	13.1
147.04305	6.0
147.08018	5.0
147.11708	10.6
149.05963	2.3
149.09587	7.6
149.13235	12.7
151.07573	3.4
151.09972	3.0
151.11160	54.7
153.09126	2.3
155.08571	2.5
157.10124	8.6
159.08032	6.0
159.11699	10.0
160.05223	2.5
161.05927	6.5
161.09563	4.8
161.13210	3.7
163.03828	2.4
163.11201	2.5
163.14790	9.6
165.12732	7.4
167.07011	33.8
169.10103	4.7
171.11671	8.5
173.09706	2.5
173.13261	21.5
175.07536	14.8
175.11157	3.1
177.12773	2.8
178.07864	2.1
181.08598	2.6
181.10103	2.5
183.11736	3.9
183.13622	2.2
185.13235	5.0
187.07518	5.5
187.11157	4.1
187.14850	3.0
189.12730	13.1
191.06984	5.2
191.14270	59.7
193.08578	7.2
199.07510	4.4
199.11118	3.1
199.14703	2.4
201.05424	2.6
201.12808	3.9
203.14305	3.0
205.12177	5.3
209.15335	100.0
215.14334	3.4
217.12219	4.2
219.13748	3.2
221.09506	2.6
227.16312	3.4
233.09630	2.7
237.03061	2.3
249.09102	3.5
252.07727	2.7
261.09012	2.5
263.06995	3.5
263.12756	4.7
265.08447	5.4
266.09149	3.8
272.11038	2.5
277.08466	3.5
279.12170	2.6
281.11688	3.2
293.11649	4.1
295.06058	2.4
295.09583	3.0
299.90631	2.3
309.11163	4.7
311.08984	2.3
313.08139	2.7
321.11118	6.1
325.10519	2.6
339.12204	14.9
341.13797	8.4
353.13733	9.3
355.14981	2.4
371.14853	38.9
373.16498	4.6
411.19937	29.0
467.27417	2.2
479.27908	3.9
485.28998	18.5
497.28934	4.3
515.29633	5.1
533.20111	37.7
533.30261	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	533.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.05495	4.3
56.96551	1.4
57.03423	2.3
57.07062	1.3
57.35091	1.3
57.86578	1.3
61.02910	2.6
67.05490	5.3
69.03426	15.7
69.07055	6.8
70.06557	2.0
71.04993	7.9
71.63288	1.3
77.03911	1.4
79.05487	6.2
81.03401	3.4
81.07054	11.6
82.66410	1.2
83.04974	9.3
83.08633	2.5
85.02901	18.8
85.06506	1.6
86.09691	2.2
87.04470	1.6
89.80820	1.4
91.05473	9.3
93.07009	9.8
95.04944	6.3
95.08593	15.6
97.02862	4.3
97.06502	4.3
99.04419	3.8
99.08092	4.3
102.12054	1.3
103.05468	1.7
105.06355	1.9
105.07016	14.3
107.04946	5.5
107.08582	28.5
109.06501	9.0
109.10162	12.4
111.08059	3.0
113.09651	1.4
113.98341	1.4
115.07454	1.4
117.07040	3.7
119.08563	7.8
121.06464	6.1
121.10128	31.0
123.08050	6.1
123.11684	3.3
125.09621	11.7
127.03874	4.1
129.07008	1.7
131.08524	7.2
133.04984	1.3
133.06483	5.1
133.10107	25.1
135.08017	11.3
135.11662	6.2
137.05969	4.0
137.09589	13.0
139.03830	1.7
139.07446	1.7
139.11136	5.2
140.45926	1.3
141.06944	1.6
143.08530	5.4
145.06459	1.7
145.10097	8.8
147.04329	1.3
147.08069	3.4
147.11668	9.0
149.09596	9.9
149.13237	16.7
151.07559	1.6
151.11166	61.5
153.09088	2.6
157.10097	3.0
159.08066	2.0
159.11681	5.0
161.05988	1.8
161.09578	4.8
161.13255	3.1
163.14812	12.5
165.12738	6.1
167.07033	22.8
167.08415	2.9
169.10182	2.2
171.11650	4.4
173.09616	2.3
173.13240	17.2
175.07559	8.4
175.11172	1.8
177.00650	1.4
177.12701	1.3
179.06897	1.5
181.08560	4.0
183.11720	2.7
185.13246	2.8
187.07512	2.9
187.11121	1.5
187.14835	1.6
189.09030	1.8
189.12741	11.1
191.06935	2.4
191.14282	68.3
193.08536	4.3
197.13283	2.2
199.07504	2.2
199.11116	2.5
199.14735	1.7
201.12704	2.5
205.08514	1.9
205.12239	3.0
209.15341	100.0
215.14262	3.3
217.12112	3.3
221.09756	1.8
261.09161	2.3
263.12784	5.3
271.10074	2.2
277.08524	2.9
281.11655	2.4
309.11136	2.8
321.11383	3.8
339.12430	4.3
341.13889	4.8
353.13907	5.3
371.14917	14.2
381.04797	1.5
411.19809	1.8
467.27966	3.4
469.28937	2.2
479.27899	3.2
485.28851	8.3
487.30539	1.9
497.28787	4.7
515.30023	2.1
533.21631	7.0
533.29980	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	533.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26503	0.7
52.82890	0.8
53.03936	3.3
55.01870	3.3
55.05501	1.0
57.03432	6.1
59.04963	0.8
59.32673	0.6
59.33836	0.6
61.02916	9.6
67.05491	1.4
69.03422	30.4
69.07067	8.2
69.48517	5.5
71.04987	3.8
73.02917	4.4
79.05484	2.9
81.03416	10.8
81.07055	3.4
83.01341	1.4
83.04955	0.7
83.08600	1.9
85.02895	100.0
87.04469	3.5
91.03947	4.3
91.05461	2.7
93.07045	2.9
95.04975	6.1
95.08581	3.8
97.02882	31.4
97.06507	3.5
98.20671	1.3
99.04447	5.3
103.03935	1.3
104.44139	0.7
105.07020	2.8
107.04898	1.2
107.08590	5.3
107.74142	0.8
109.02860	9.3
109.06510	4.1
109.10146	1.7
111.04453	1.1
113.84586	0.7
115.03936	1.3
119.08572	4.1
121.06501	2.9
121.10120	2.9
122.07291	3.2
123.08055	17.7
123.11712	1.2
125.06018	0.7
127.03905	26.6
131.08537	0.8
133.10120	5.8
135.08041	29.0
135.11694	2.7
137.09601	1.6
139.03932	1.1
145.04942	37.9
145.10217	0.9
147.11696	2.7
148.08817	1.3
149.09610	1.8
161.09540	1.1
163.05997	8.7
163.14844	1.0
165.12730	18.5
171.06554	2.9
173.13284	2.2
175.14777	3.9
176.11929	5.3
177.12741	0.7
189.07614	3.0
191.14284	92.6
192.14755	0.7
193.15868	15.0
207.13821	3.0
209.15359	16.1
309.17194	0.9
335.18674	1.1
353.19644	3.0
364.64932	0.8
371.20593	10.4
533.25909	40.5
536.59045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
55.01850	5.9
55.05502	5.8
57.03408	6.4
57.07068	3.7
61.02907	8.1
65.03914	3.8
66.09505	3.0
67.05486	15.9
69.03417	33.4
69.07064	16.3
70.74847	2.9
71.04967	10.9
71.61668	3.6
73.02895	7.1
79.05477	17.9
81.03400	10.7
81.07050	24.8
83.04948	5.0
83.08617	4.9
85.02420	5.0
85.02899	71.9
87.04463	6.5
91.05473	27.0
93.07033	32.2
95.04954	12.3
95.08599	25.6
97.02871	28.0
97.06511	10.0
99.04423	13.8
99.08073	5.2
105.07016	56.2
107.04934	7.6
107.08597	27.4
109.02854	13.0
109.06505	16.8
109.10122	18.3
111.04459	5.1
113.06017	3.2
115.03897	12.1
115.05452	3.2
115.07497	4.1
117.06994	15.2
119.07767	4.5
119.08556	44.3
121.06496	33.0
121.10117	21.0
122.07260	4.7
123.08074	17.7
123.11602	3.3
127.03899	21.7
128.06169	4.8
129.06982	10.4
130.07738	6.2
131.04907	6.6
131.08568	35.0
133.06453	10.1
133.10117	33.2
135.08044	22.2
135.11671	13.9
137.05966	9.9
139.03905	24.9
141.06911	5.3
142.07759	8.3
143.08542	30.8
145.04948	26.8
145.06432	9.0
145.10103	38.1
147.04353	4.8
147.08037	28.1
147.11656	20.7
149.05956	9.5
149.09534	9.7
149.13237	4.4
151.07465	4.0
155.08495	11.5
156.09271	9.2
157.06491	3.3
157.10112	30.0
158.10898	6.9
159.08026	11.4
159.11684	43.9
161.09627	21.0
161.13240	19.0
163.03876	8.2
163.07510	4.1
163.11157	11.6
165.12711	16.6
168.09290	4.3
169.10083	15.8
171.11671	44.1
173.09618	11.0
173.13229	41.8
175.11169	12.7
175.14786	11.1
176.11920	3.6
177.09077	6.7
181.05019	4.1
181.10107	6.3
182.10828	4.6
183.11655	19.7
185.09637	7.6
185.13254	24.1
187.11180	21.0
187.14786	10.1
189.12724	100.0
191.14278	92.8
193.10155	4.3
193.15878	5.0
195.11630	7.0
197.13237	11.8
199.11157	34.8
199.14830	11.2
201.12747	26.3
203.14337	12.7
205.12210	36.2
207.11790	5.0
207.13696	7.6
209.13333	6.4
209.15349	12.5
211.14809	5.8
213.12720	10.4
213.16380	4.5
215.14284	37.2
217.12186	40.8
217.15685	4.3
219.13683	22.8
221.13264	3.5
221.15331	5.8
225.16481	3.7
227.14268	5.7
227.17908	3.6
231.13763	7.5
233.15279	9.0
235.13182	7.8
237.16618	4.5
241.15659	3.9
245.11656	5.8
245.15430	6.6
247.13237	4.5
253.14288	7.7
261.14795	3.4
263.12750	70.9
291.15802	6.6
371.14847	5.7
371.20587	6.2
385.24844	3.3
387.10419	5.1
403.26334	8.3
405.28259	5.2
415.26257	3.6
421.27237	13.3
431.25601	5.7
433.27167	9.9
439.28470	8.2
449.26819	16.9
451.28052	10.0
461.26752	5.2
467.27853	31.2
469.29367	13.1
479.27563	13.6
485.28830	21.1
487.30429	13.4
497.28867	23.1
505.06235	3.3
515.29980	14.3
533.24634	18.9
533.31995	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	533.3468
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
53.03934	0.8
55.01859	1.2
55.05509	3.1
57.03417	1.1
62.81369	0.6
66.09862	0.6
67.05494	7.0
69.07060	4.2
69.95351	3.0
73.65650	0.6
79.05476	5.7
79.05901	0.9
81.03407	1.4
81.07047	12.3
83.04970	1.3
83.08598	2.4
91.05466	7.4
93.07031	13.1
95.04950	2.6
95.08600	18.6
96.31051	0.6
97.06501	1.6
97.10195	1.0
98.21078	1.6
105.07023	16.7
107.08580	17.7
109.02861	0.9
109.06495	2.4
109.10140	11.2
111.04389	1.0
111.08046	2.3
117.06975	3.6
119.08567	26.2
121.06444	1.1
121.10123	17.0
123.08077	2.7
123.11709	3.6
125.05970	1.7
125.09625	0.6
127.03890	1.8
127.07558	0.8
129.06992	3.2
131.08563	11.9
133.06511	1.2
133.10112	19.2
133.19667	0.6
135.08017	1.8
135.11671	9.0
137.09608	3.7
137.13196	0.6
139.07581	1.1
141.07031	0.7
142.07751	2.0
143.08557	8.2
144.09335	1.4
145.10104	19.5
147.07997	1.1
147.11667	11.5
149.09590	1.9
149.12219	0.9
149.13242	4.8
151.07497	1.2
151.11205	0.9
153.09143	2.0
155.06996	1.8
155.08549	2.0
156.09280	0.9
157.10115	8.3
158.10909	0.8
159.08034	0.9
159.11673	15.3
161.09615	1.6
161.13243	7.2
163.07527	1.6
163.11165	2.3
163.14798	3.5
165.09090	0.9
169.08604	1.2
169.10149	1.8
170.10884	1.7
171.11664	6.0
173.09641	0.7
173.13249	10.0
175.11147	2.3
175.14809	8.3
177.09123	1.5
177.12773	1.7
177.16348	4.1
179.10609	1.1
179.75551	0.6
183.11649	3.9
185.09724	0.8
185.13240	10.1
187.11208	1.0
187.14798	23.7
187.16420	1.4
189.12747	2.7
189.16356	17.9
191.10672	0.9
191.17928	2.1
193.12405	0.8
195.11673	1.2
197.13304	2.0
199.11327	1.1
199.14809	4.6
201.12730	2.5
201.16338	15.9
203.10629	1.8
203.14297	3.8
203.17979	4.2
205.12173	1.4
205.15910	1.7
207.13837	0.9
207.17435	0.7
207.33002	0.6
209.13223	1.1
211.14850	2.1
213.12770	1.3
213.16289	3.3
215.14697	0.8
215.17964	6.8
217.12279	1.3
217.15756	0.9
219.13808	1.8
221.15302	0.9
223.14828	1.1
225.16364	1.1
227.17940	2.5
229.12309	0.9
229.15828	0.8
229.19499	1.9
231.13719	4.0
233.15404	2.3
235.13158	1.3
235.16956	2.1
243.21059	1.1
245.15427	4.0
247.16919	4.9
249.10893	0.7
249.14809	1.0
253.19550	0.8
261.14932	0.7
261.18558	1.4
267.21152	1.5
279.21176	1.5
281.22583	0.9
283.24103	1.6
303.20865	0.8
309.26080	0.8
325.21558	0.9
373.28885	2.5
389.28369	1.1
391.29950	5.0
393.31607	1.9
401.28497	1.5
409.31113	4.1
419.29449	8.5
421.30875	1.4
433.30820	3.4
435.28766	1.4
437.30511	10.4
439.32028	100.0
440.32529	2.3
447.28705	1.3
451.32104	8.1
453.29941	14.5
455.31519	4.1
465.29929	3.7
467.31113	0.8
471.30862	1.3
479.31491	4.0
480.34692	8.8
483.31042	5.5
485.32596	7.5
497.33002	3.9
501.32169	4.0
515.33563	1.4
533.26971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01863	7.5
55.05256	1.3
55.05506	21.5
57.03431	2.2
59.04994	1.0
65.03915	1.8
67.05495	24.5
69.03419	2.7
69.07056	8.6
71.04975	2.0
77.03905	0.9
79.05482	36.0
81.03401	4.1
81.07047	52.6
83.04965	8.2
83.08611	14.1
85.02883	1.9
85.06530	1.4
90.42071	0.9
91.05473	25.5
93.07032	36.1
95.04959	16.3
95.08606	12.7
97.06528	3.7
97.10164	15.0
98.20707	2.1
105.03362	1.0
105.07011	16.5
107.04945	5.8
107.08571	14.8
109.06505	7.2
109.10161	5.9
111.04446	8.0
111.08080	5.4
117.06982	9.7
119.08567	21.3
121.06488	6.7
121.10133	8.3
123.08057	8.4
125.09615	10.1
128.06161	1.8
129.06975	9.4
131.08559	7.9
133.06476	2.2
133.10095	5.2
135.08051	4.6
135.11681	4.2
137.09604	2.6
139.11185	1.6
143.08554	6.6
145.06442	1.0
145.10101	13.3
147.08006	9.9
147.11670	13.7
149.09619	6.0
149.13264	1.1
153.09093	4.2
153.12723	2.8
155.08565	1.7
157.10123	3.1
159.07980	1.0
159.11665	3.9
161.09590	5.8
161.13203	4.4
163.11145	7.7
165.09084	4.2
169.10155	1.7
171.10231	1.3
171.11649	16.0
173.09660	2.1
175.11180	2.2
177.09097	1.0
181.12132	5.3
182.83090	1.0
185.09583	0.9
185.13164	1.5
187.11238	1.4
187.14769	1.2
189.11211	12.2
189.12758	9.5
191.10626	5.0
195.11772	1.8
205.12218	1.1
207.13794	13.3
209.11720	1.6
213.16422	1.0
217.15955	1.2
223.13252	6.1
225.14854	1.6
227.12749	7.5
227.17909	2.7
237.16451	1.7
245.18964	2.7
249.14868	3.0
255.17448	4.1
263.20026	1.3
273.15417	1.1
273.18445	26.0
291.19510	100.0
309.20544	5.6
346.70358	0.9
410.31302	2.8
504.92200	0.9
516.33807	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
56.05037	0.4
58.06624	0.4
59.07388	0.1
60.08154	5.8
60.68776	0.1
67.05492	0.3
69.07029	0.1
70.75017	0.2
70.75382	0.1
71.07365	2.4
79.05476	0.3
81.07030	0.3
86.09692	27.8
87.10042	0.1
91.05466	0.3
93.07024	0.3
95.04952	0.1
95.08615	0.2
98.21182	0.1
98.98447	2.3
104.10027	0.2
104.10731	2.9
105.07031	0.2
107.08566	0.2
119.08573	0.2
124.99985	19.1
142.59489	0.1
143.01076	0.4
147.11702	0.1
163.01735	0.1
184.07312	100.0
185.07643	0.4
215.49364	0.1
258.10907	0.2
463.49362	0.1
466.09445	0.1
492.51443	0.1
498.29813	0.7
516.30792	6.2
517.31268	0.1
550.41711	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30836	0.1
50.53173	0.1
56.05031	0.5
58.06614	0.4
60.08155	6.7
60.66219	0.1
66.71140	0.1
67.05495	0.3
69.07059	0.2
69.96680	0.5
70.06576	0.2
70.97421	0.1
71.07365	3.0
71.08609	0.1
71.13609	0.1
77.54931	0.1
79.05469	0.4
81.07035	0.3
83.36993	0.1
85.03729	0.1
86.09694	31.4
87.10002	0.1
91.05466	0.3
93.07013	0.3
95.08604	0.2
98.98450	2.5
99.08067	0.1
104.10731	4.3
105.07043	0.1
107.08572	0.1
124.99988	21.3
143.01035	0.4
151.11093	0.1
184.07315	100.0
185.07710	0.5
258.11023	0.2
420.05527	0.1
516.30695	1.3
534.31873	8.4
535.31818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05028	0.3
57.03432	0.3
58.06357	0.2
58.06611	0.5
60.08155	5.9
67.05489	0.8
69.07057	0.5
70.15542	0.5
70.15959	0.5
71.07372	2.9
76.42831	0.2
79.05491	0.6
81.03420	0.4
81.07051	0.9
83.08608	0.2
85.02874	0.4
85.62276	0.2
86.09696	28.2
91.05459	1.1
93.07024	0.9
95.04953	0.2
95.08599	0.6
97.06532	0.3
98.21273	0.4
98.98445	2.2
104.10738	3.8
105.07015	0.7
107.08610	0.4
108.47634	0.2
109.10135	0.2
110.28724	0.2
117.07076	0.2
119.08564	0.7
121.10145	0.4
124.99991	20.5
131.08578	0.3
133.10110	0.4
135.11629	0.3
139.03874	0.4
143.01033	0.4
145.10075	0.3
146.05931	0.2
147.11687	0.3
184.07320	100.0
185.07657	0.4
208.11079	0.2
222.88794	0.2
251.12570	0.5
258.10934	0.3
275.20004	0.3
307.14880	0.4
349.23547	1.1
400.75269	0.2
485.59100	0.2
498.29419	0.8
516.30798	7.2
517.31055	0.3
535.20935	0.3
535.28778	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	534.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01867	6.2
55.05507	5.7
56.96553	3.2
57.03434	8.9
57.07059	3.6
58.30353	0.8
60.08153	7.5
61.02921	5.8
65.03928	1.0
66.96308	0.8
67.05499	14.6
69.03423	13.5
69.07063	16.4
71.01344	1.9
71.04986	1.5
71.07360	2.9
71.08613	0.9
73.02899	16.5
79.05486	15.7
81.03414	3.6
81.07047	100.0
83.08624	3.9
85.02895	41.6
86.09699	22.4
87.04453	2.5
91.03969	1.8
91.05467	6.4
93.07034	29.0
95.04957	2.2
95.08594	41.3
97.02879	26.1
97.10172	3.0
98.98462	2.1
99.04447	2.4
99.63879	0.9
101.02379	1.0
103.03935	2.4
104.10737	24.8
105.07021	6.6
107.08578	22.9
109.02875	4.1
109.06490	1.6
109.10143	27.6
111.11716	2.6
115.03917	13.8
119.08578	6.7
121.06489	1.0
121.10128	54.3
123.11700	14.0
124.99992	15.5
127.03896	15.6
129.06923	1.0
129.61560	1.0
131.08559	3.4
132.06509	1.3
133.04953	22.9
133.10143	2.4
135.11670	19.2
137.13234	7.9
139.03877	4.6
145.04939	23.9
145.10144	2.9
147.11652	2.1
149.13242	29.8
150.07603	4.9
154.16277	1.1
157.10207	1.4
159.11734	1.9
163.03961	1.1
163.05992	12.3
163.14799	3.3
165.12936	0.9
173.13275	2.5
175.14737	1.1
177.16368	1.2
184.07315	58.0
185.13181	0.9
187.14787	2.6
199.06041	1.1
199.14777	1.1
205.19479	15.5
217.07280	1.2
223.06055	4.4
241.07169	4.9
259.08099	7.3
277.09122	2.5
295.10309	4.4
320.81268	0.9
349.16827	1.4
367.17972	1.1
375.11261	2.2
389.12296	0.9
419.13745	2.3
483.30734	1.1
513.28644	1.2
514.31512	4.0
516.30701	1.9
523.31891	5.3
531.29846	3.4
534.32013	11.9
534.82495	3.8
539.15472	1.9
556.00836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05295	2.0
55.05506	22.4
57.03418	7.9
57.07066	12.1
60.08154	9.6
61.02904	7.7
67.05495	82.7
69.07063	32.3
71.04971	2.7
71.07354	3.6
71.08607	6.2
71.14302	3.3
73.02909	2.6
79.05478	22.9
81.07046	90.3
83.08607	24.1
85.02884	5.4
85.06544	2.3
85.10175	2.7
86.09701	24.5
88.98915	1.7
91.03941	3.4
91.05468	17.5
91.21409	1.9
93.07021	28.3
95.04943	4.6
95.08591	84.9
97.02900	3.1
97.06510	5.6
97.10162	14.8
99.08050	2.6
100.27397	1.7
103.50826	1.7
104.10729	46.2
105.06425	1.7
105.07023	16.4
107.08580	21.7
109.10144	38.3
111.08063	5.9
111.11692	2.3
113.09657	4.0
119.08572	15.3
121.10131	22.5
122.57084	2.0
123.11691	24.1
125.00006	15.2
125.09592	2.4
133.10124	18.2
135.11697	14.9
137.13228	7.8
141.12708	2.2
147.11656	10.0
149.13261	13.0
151.14778	6.3
155.14288	4.6
160.47539	1.9
161.13199	15.0
163.14818	11.3
165.16319	9.0
175.14784	15.8
177.16292	2.2
179.14246	3.8
179.17928	6.5
184.07323	58.7
189.16391	5.1
194.35838	1.9
217.19316	3.1
245.20052	2.4
245.22624	73.6
263.23666	100.0
281.24789	2.1
337.27310	69.1
355.28421	6.9
413.18246	2.0
499.32944	3.4
516.34271	3.0
534.35474	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	535.2745
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
50.29037	1.1
55.01851	1.5
55.05508	6.1
57.03426	2.3
57.07059	1.6
59.04971	2.1
65.03920	1.2
67.05498	11.8
69.03427	7.6
69.07050	10.4
70.22270	5.4
70.89865	1.1
71.04981	3.7
73.02892	1.4
78.15099	1.1
79.05475	4.1
81.03410	1.9
81.07047	18.4
83.04982	10.2
83.08620	6.6
85.02882	11.4
85.06541	2.2
91.05450	6.8
93.07027	11.1
95.04948	3.1
95.08595	23.2
97.02864	2.7
97.06527	3.0
97.10165	1.8
99.04431	2.1
99.08083	5.7
105.07025	15.9
107.04947	2.2
107.08576	19.6
109.02856	1.6
109.06504	7.8
109.10139	68.4
111.08050	3.5
113.09673	1.7
117.06995	2.2
119.08562	30.0
121.06467	2.7
121.10138	13.4
123.04384	1.4
123.08075	10.2
123.11715	6.2
127.03874	2.2
129.07039	2.3
131.04918	1.7
131.08577	6.9
133.06450	1.4
133.10121	20.1
135.08017	3.2
135.11674	64.0
137.05966	3.7
137.09581	11.3
139.11209	2.0
142.07698	1.7
143.08557	4.5
145.04927	2.1
145.10097	6.2
147.04300	1.4
147.08028	3.3
147.11670	3.1
149.05965	1.8
149.13242	4.1
151.07552	1.5
151.11159	5.1
151.14799	8.0
153.12691	1.9
155.08545	2.7
157.10109	4.4
159.11708	6.0
161.05986	2.0
161.09621	3.5
161.13229	2.0
163.07451	1.3
163.11159	1.7
165.16422	3.0
167.07022	2.7
169.10147	1.5
171.11685	3.6
172.12146	1.2
173.13290	6.1
175.14806	35.2
177.05492	1.3
183.11647	2.4
185.13217	3.7
187.11208	2.4
187.14731	3.3
189.12656	2.9
191.14265	2.7
193.15865	55.1
193.17632	2.7
195.10107	2.5
195.11671	1.8
199.14799	1.8
201.12766	2.2
203.07031	1.8
203.14342	3.7
211.16904	100.0
213.12550	1.5
215.14351	2.5
219.13737	1.7
221.15288	1.8
235.13165	1.4
263.12711	1.9
295.09454	1.5
371.15012	2.2
373.15790	1.4
373.22025	2.1
431.18631	4.9
453.29752	2.6
463.28329	2.1
471.30972	2.9
481.29276	4.1
489.31293	4.3
499.30383	5.3
517.31641	9.4
535.19562	2.8
535.31451	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	535.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25861	0.3
55.01853	0.3
55.05501	0.6
55.61644	0.3
55.64133	0.3
57.03414	0.9
59.33469	0.4
60.08161	1.7
65.54982	0.3
67.05493	2.3
69.07057	0.5
70.75964	0.9
71.04974	0.6
71.07349	0.7
72.07700	0.3
79.05492	1.6
81.03413	1.6
81.07046	2.3
83.04978	0.8
83.08591	0.7
85.02887	1.8
85.06559	0.3
86.09695	9.9
87.10021	2.0
91.05440	2.1
93.07035	1.5
95.04966	0.9
95.08603	1.2
97.06512	0.4
98.98452	0.9
104.10717	0.8
105.07006	1.8
107.04962	0.4
107.08579	1.0
109.06514	0.7
109.10159	0.8
111.08021	0.3
117.07005	0.4
119.08570	1.4
121.06516	0.5
121.10138	0.8
123.08070	0.4
124.99989	7.5
126.00328	0.6
129.07016	0.6
131.08600	0.6
133.10136	0.9
135.11719	0.4
139.03853	0.3
145.10109	0.4
147.11668	1.0
157.10092	0.7
161.09584	0.4
161.13246	0.4
175.11195	0.6
184.07321	29.6
185.07686	7.1
193.12245	1.0
202.66281	0.3
211.13210	0.4
215.18047	0.3
251.12521	6.0
283.06314	0.3
285.16959	1.0
299.06155	0.5
307.15079	5.9
396.11310	0.4
413.27988	0.3
426.51120	0.3
499.30426	0.7
514.28491	0.4
517.31158	2.6
535.28717	100.0
536.29193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3263
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
51.42382	4.5
55.01860	9.1
55.05505	10.9
57.03431	7.6
57.07067	9.4
65.03934	4.6
67.05489	28.3
69.03400	6.3
69.07053	17.5
69.41319	30.6
69.41721	12.3
71.04974	8.5
71.78037	4.1
72.08100	5.8
73.02901	4.1
79.05474	25.9
81.03404	9.3
81.06557	6.2
81.07037	49.9
83.04967	9.0
85.02877	20.4
91.05444	38.4
93.07043	44.2
95.04958	18.4
95.08581	42.1
97.06518	20.6
97.10144	4.5
99.08112	5.3
105.07020	86.1
107.04960	8.3
107.08575	48.5
109.06516	17.7
109.10132	20.8
111.08044	7.3
111.52988	4.1
113.05991	4.6
115.05430	4.7
115.07543	9.9
117.06978	29.4
119.08562	98.4
119.09341	8.4
121.06476	20.3
121.10133	24.1
122.10577	4.7
123.04410	15.3
123.08044	12.5
125.09598	6.0
128.06221	6.7
129.06960	13.1
131.08542	77.2
133.06454	12.5
133.10118	56.3
135.08040	16.7
135.11642	10.5
137.05969	20.2
137.09564	6.9
139.03870	22.8
141.06950	7.4
142.07755	11.2
143.08583	36.4
143.34026	5.2
144.09277	6.3
145.06450	5.0
145.10112	73.0
147.08061	24.4
147.11664	39.3
149.05939	6.2
149.09612	13.7
149.13243	11.1
153.01859	4.6
155.08578	22.2
156.09361	10.3
157.10114	51.8
158.10918	7.0
159.08031	10.7
159.11679	100.0
161.09659	23.6
161.13237	43.2
163.07492	9.2
163.11131	12.3
163.14850	6.9
165.09258	6.7
167.07039	6.7
169.10068	23.7
170.10902	7.9
171.11685	36.7
173.09639	10.5
173.13246	76.4
175.07474	5.1
175.11171	16.6
175.14815	38.3
177.12708	17.7
181.10135	11.8
183.11621	38.6
185.09578	8.0
185.13223	58.5
187.11143	14.1
187.14804	37.9
189.12714	69.6
189.16394	6.6
191.14273	14.5
193.08507	5.6
195.11774	9.3
197.13289	25.3
199.11229	16.3
199.14815	34.5
201.12691	26.3
201.16487	12.2
203.06960	6.5
203.14281	59.7
207.13763	20.2
209.13271	8.6
211.14839	11.2
213.16333	6.9
215.14285	35.5
217.12309	23.1
217.15836	8.8
219.13829	34.2
221.15344	50.9
227.14313	6.2
229.15860	10.1
231.13824	7.9
233.15382	14.1
235.13269	12.9
245.15308	6.8
247.17003	9.9
251.12752	8.2
253.14258	52.5
261.14713	6.5
263.12726	15.8
299.06146	6.2
311.12628	5.2
337.71802	4.6
368.79407	5.1
387.26743	9.7
397.09088	6.1
399.26559	6.2
405.28012	10.8
417.27853	22.0
423.29114	9.1
435.28940	28.2
445.27438	10.5
451.28192	18.2
453.30228	22.7
463.28595	34.6
469.29501	81.0
481.29541	37.4
489.31958	7.7
499.30548	55.8
517.32086	30.6
535.18799	7.7
535.32446	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	535.3267
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
50.09042	1.6
53.03935	1.9
55.01855	2.7
55.05497	4.9
55.90396	2.2
57.03422	1.8
57.07055	1.8
59.04989	1.5
60.29207	1.5
62.61401	1.6
65.04832	1.5
67.05495	11.0
67.31999	1.6
69.03424	15.8
69.07048	7.0
70.06583	2.0
70.83694	2.9
70.84054	4.6
71.04969	2.4
71.30825	1.3
79.05492	14.4
81.03391	4.0
81.07043	21.4
82.07388	1.8
83.08619	2.0
85.02880	10.0
85.06525	2.6
88.41319	1.6
91.05451	21.3
93.07028	21.4
95.04970	10.4
95.08605	15.6
97.02901	4.3
97.06510	6.1
98.21069	3.3
98.67296	1.6
99.04444	10.2
99.08104	2.5
102.03748	2.1
103.05438	2.3
105.07014	31.8
107.04955	6.6
107.08577	20.8
109.02853	2.8
109.06490	6.0
109.10130	7.9
111.04462	2.1
111.08048	2.0
115.07520	2.7
117.07053	8.4
119.04914	2.2
119.07766	2.8
119.08572	31.1
121.02933	1.9
121.06481	7.4
121.10131	15.2
123.04417	14.0
123.08060	4.6
123.11679	2.5
123.55723	1.6
125.05958	2.0
127.03892	2.7
127.25979	1.8
128.06230	3.1
129.06967	7.7
130.07770	1.6
131.04887	2.1
131.06389	1.8
131.08554	23.4
132.08879	2.8
133.06467	3.3
133.10101	16.9
135.04410	2.4
135.08052	4.7
135.11659	6.3
137.05974	11.9
137.09624	3.9
139.03862	8.9
139.07565	3.2
141.06985	2.0
142.07773	3.9
143.08540	13.6
144.09302	2.6
145.06372	2.9
145.10107	21.9
147.04411	3.8
147.08017	7.2
147.11687	13.3
149.02188	1.7
149.06058	2.3
149.07393	7.6
149.09621	6.5
149.13213	6.8
151.03993	3.5
151.07489	3.7
151.11150	1.8
155.03372	2.5
155.08498	8.8
156.09334	4.6
157.10100	12.5
158.10867	2.8
159.08073	4.8
159.11691	20.4
161.05954	6.5
161.09560	10.2
161.13229	9.0
161.78632	1.7
163.03905	11.1
163.07581	2.5
163.11153	3.1
163.14796	2.0
167.07030	7.2
167.08472	3.6
167.10632	1.9
169.10100	9.2
170.10641	1.7
171.08032	1.9
171.11714	19.6
173.09595	5.5
173.13240	20.5
174.13600	1.8
175.03920	2.5
175.07567	3.9
175.11188	6.4
175.14806	8.3
177.05441	2.8
177.12778	2.5
177.62856	1.9
181.10071	5.0
183.11674	12.2
185.13257	12.9
187.07593	3.5
187.11189	4.2
187.14796	10.0
189.09042	1.8
189.12749	21.9
189.16313	2.4
190.13246	1.6
191.14278	6.7
193.08566	1.9
194.88387	1.6
195.11580	3.0
197.13193	7.8
199.11166	17.2
199.14772	8.3
201.12697	12.8
201.16348	3.2
203.14342	10.5
205.08388	1.6
205.12181	2.4
207.13809	2.5
209.13307	2.5
211.14807	4.0
213.12674	3.2
213.16356	1.8
215.14296	5.4
217.12225	27.6
217.15887	4.7
219.13664	3.2
221.13226	3.1
221.15327	7.8
227.14305	1.8
229.15714	2.9
231.13690	3.3
233.15338	3.6
235.09666	2.8
235.13152	2.6
243.17635	2.2
245.11728	3.1
245.15405	2.6
253.14282	3.4
255.17406	1.8
257.08002	3.8
261.12552	3.1
261.14932	2.4
263.12747	36.3
269.08084	1.9
277.14157	2.2
279.15768	1.9
287.05527	2.5
299.06198	1.9
387.26920	2.2
389.28259	2.1
405.27750	1.9
417.05591	1.9
417.27853	4.7
425.26651	3.4
435.28775	5.8
445.16025	1.6
445.26993	3.3
451.28159	5.8
453.29919	4.8
463.17517	2.1
463.28528	8.2
464.17841	1.9
469.29504	18.7
471.31049	3.8
481.18475	3.4
481.29404	15.0
487.29990	3.5
489.31775	6.5
499.30539	100.0
517.19128	2.8
517.30896	6.3
535.16138	6.2
535.32587	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	535.4139
Annotation	Toxicol B
Peak:m/z	Relative Intensity
53.03939	0.8
54.35162	0.5
55.01861	0.9
55.05504	10.1
57.03411	0.7
57.07064	0.9
62.84285	0.5
67.05495	17.5
69.03405	0.6
69.07058	7.4
71.04983	1.6
71.08633	0.6
71.63625	0.6
79.05483	9.3
81.03379	0.7
81.07048	17.7
83.04967	1.4
83.08619	5.9
85.06551	1.2
86.15326	0.5
91.05453	5.4
93.07030	9.1
95.04956	2.2
95.08598	15.1
97.06532	1.3
97.10163	4.8
99.08072	0.8
105.07011	6.2
107.08583	7.1
107.38767	0.5
109.06484	0.6
109.10142	9.7
111.04404	0.6
111.08066	1.0
115.05427	0.6
116.06173	0.6
117.07003	4.2
119.08566	7.0
121.06490	0.6
121.10131	4.3
123.08082	1.4
123.11655	2.4
125.09635	2.6
128.06178	1.2
129.06995	5.4
130.07747	0.6
131.08554	6.9
133.10133	4.2
135.11653	3.1
137.13260	1.1
137.60027	0.5
141.06964	4.9
142.07773	2.0
143.08559	6.6
145.10086	7.6
147.08032	0.6
147.11681	2.6
149.09616	0.7
149.13251	1.0
153.06993	1.4
154.07788	1.0
155.08531	12.8
156.09346	1.0
157.10110	7.9
159.11676	5.9
161.13243	1.7
162.46999	0.5
163.11174	1.5
163.14809	0.9
165.06972	1.3
166.07863	0.8
167.08539	6.2
168.09355	2.0
169.10114	15.6
171.11653	6.6
173.13219	3.3
175.14848	1.2
178.07756	0.6
179.08524	2.5
180.09312	0.9
181.10100	10.0
182.10921	0.9
183.11662	18.1
185.13257	7.4
187.14815	2.0
193.10184	3.0
194.10902	0.9
195.11674	13.5
195.13390	1.1
196.12498	1.6
197.13234	13.3
199.14754	3.6
201.16483	0.7
205.10077	1.0
207.11636	4.0
209.13228	10.4
210.21890	0.5
211.14783	8.0
213.16422	1.9
219.11752	1.7
221.13280	2.7
222.14058	0.5
223.14792	8.6
224.15613	0.7
225.16370	9.7
227.12773	2.1
227.17920	1.1
233.13326	1.2
235.14771	3.4
237.16321	6.3
239.17935	5.1
241.19521	0.8
247.14705	1.3
249.16473	2.7
251.17944	3.9
253.19449	2.9
255.17186	0.7
261.16321	1.3
263.17929	2.0
265.19458	2.7
267.21078	2.4
269.18878	0.8
271.17233	0.6
271.20599	1.0
273.18457	1.4
275.17789	0.7
277.19598	1.2
279.21121	1.7
281.22586	1.7
283.17020	0.7
291.19296	4.3
293.18939	0.8
293.22659	1.1
295.20587	0.9
297.18692	1.0
297.22165	0.7
299.06284	0.8
303.20996	0.7
305.19180	0.6
305.22293	1.0
307.20627	1.0
309.22232	1.1
311.19833	0.6
311.23636	0.9
313.21664	0.8
321.21988	3.1
323.23727	1.8
327.23251	0.6
331.23914	0.8
333.22205	0.8
335.23535	3.4
337.25345	1.2
339.23178	1.7
347.23779	0.9
349.25186	2.8
351.23016	0.9
351.26810	2.0
353.24854	1.1
361.25058	0.6
363.26874	2.4
365.24493	0.8
365.28479	2.1
367.26260	1.2
375.26660	0.7
377.28381	1.8
379.30075	1.3
381.27728	1.5
391.30078	1.5
393.31610	1.5
395.29507	1.5
405.31427	1.4
409.31030	3.4
415.29810	0.7
419.28806	0.7
421.30655	1.1
423.32538	2.3
429.31378	1.4
433.30832	1.0
435.32544	0.8
443.32745	0.7
447.32550	5.4
461.34210	2.5
475.35434	1.1
479.35104	0.8
489.41193	0.9
499.39267	7.2
517.40369	62.0
518.40436	0.8
535.41425	100.0
536.41797	2.2
558.70123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30230	0.8
52.90392	0.8
53.03941	1.5
55.01862	1.4
55.05506	6.3
57.03428	1.8
57.98799	1.2
58.99576	14.1
61.02917	1.0
61.23377	0.9
67.05499	6.7
69.03419	2.1
69.07056	2.8
69.38976	8.0
70.06590	5.8
71.04984	1.3
74.00652	2.2
76.02220	83.4
76.03992	3.9
79.05477	6.0
79.95531	0.9
80.05020	1.2
81.03409	24.5
81.07044	7.0
83.04969	5.7
83.06128	1.1
83.08605	8.1
84.04499	20.1
85.02892	3.3
85.04025	3.2
85.06506	0.8
85.49146	0.8
86.09725	1.2
86.99053	3.6
88.02219	0.9
91.05463	8.7
92.01698	1.2
93.07050	5.8
95.04974	9.7
95.08630	2.0
96.89310	0.7
97.01117	1.1
97.02898	1.9
97.06480	0.9
97.10177	2.0
98.20685	1.5
102.05568	1.1
104.05495	0.8
105.07017	5.5
107.04962	2.3
107.08589	2.4
109.10140	1.3
111.08055	4.1
111.89722	0.8
113.03484	0.9
113.05969	0.7
116.01662	22.4
119.08577	5.5
120.04464	0.9
120.08103	0.9
121.10138	2.5
123.08075	1.8
124.02186	1.1
129.06944	3.3
130.04988	15.5
131.04555	3.1
131.08522	4.3
133.06468	1.3
133.10123	4.3
137.05965	1.3
141.04752	1.0
142.03223	8.2
144.01132	13.3
147.11687	4.2
148.03899	3.8
149.09613	3.1
157.10155	5.3
162.02187	42.1
163.02382	1.0
165.12732	1.3
166.05005	2.1
166.08556	1.4
170.02696	3.1
172.03928	3.2
175.11203	4.9
177.03253	8.4
179.04832	88.2
185.03830	1.1
187.05374	2.5
190.04901	1.3
193.12244	15.2
204.06572	5.5
211.13272	32.7
211.15250	1.8
215.04797	3.0
231.04407	1.5
233.05882	21.5
245.05838	4.1
255.11200	1.5
268.13608	1.5
283.10641	1.1
286.14670	2.8
288.06522	0.8
290.08249	1.9
291.06451	2.3
299.06055	2.3
301.11774	3.1
306.07596	1.4
308.09067	100.0
319.12610	0.9
320.28082	0.9
322.16440	1.2
343.12817	2.9
371.16559	1.3
374.19266	0.9
389.17410	1.2
437.74533	0.8
445.93274	1.0
501.29266	1.0
518.21240	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	536.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.03424	3.1
59.05014	0.8
61.76475	0.8
67.05492	1.7
69.03426	14.4
69.07050	1.1
69.83767	4.6
70.06592	1.5
71.05001	1.3
79.05482	2.0
81.03417	0.8
81.07057	7.9
83.04962	1.0
85.02900	44.1
87.04469	6.2
91.05472	2.5
91.77555	0.6
93.07048	3.1
95.04943	1.1
95.08591	2.5
97.02879	10.4
98.97578	1.0
101.10150	0.7
105.07011	7.3
107.08581	3.4
109.06511	2.0
109.10165	5.5
113.73286	0.8
115.03918	9.4
117.06982	1.2
119.08556	12.4
121.10107	5.3
123.04385	1.2
123.08072	1.3
123.11699	43.1
125.06014	3.0
127.03909	1.3
130.07762	1.2
131.08562	1.8
133.04974	8.9
133.06459	3.9
133.10094	1.1
137.05988	1.3
143.08537	1.6
145.10117	12.2
146.10982	0.9
147.08025	2.7
147.11674	23.7
149.09590	4.1
151.07516	1.1
156.09308	4.1
159.08063	1.7
165.12721	2.1
171.11694	4.5
173.13141	0.7
174.10422	1.3
182.92764	0.9
189.12730	100.0
196.42349	0.9
207.13791	42.0
225.14824	16.0
238.71416	0.9
253.15005	0.8
278.67221	0.8
295.10220	2.1
299.06342	1.1
321.16989	1.1
382.07635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93879	0.1
56.05016	0.4
58.06359	0.2
58.06614	0.4
59.07383	0.2
60.08155	6.4
61.62545	0.1
65.93268	0.1
67.05485	0.6
70.06570	0.1
71.07365	2.4
79.05490	0.2
81.07034	0.5
86.09693	28.6
93.07034	0.4
95.08589	0.3
98.20763	0.3
98.98449	2.5
102.22613	0.2
104.10730	3.0
124.99987	19.0
129.84607	0.1
133.10010	0.2
143.01012	0.3
149.13268	0.2
184.07315	100.0
185.07617	0.3
258.10852	0.2
299.06238	0.2
306.03311	0.1
314.01801	0.2
325.19354	0.2
384.04721	0.2
476.80267	0.1
485.81473	0.2
494.81894	0.2
500.31390	0.9
503.82025	0.6
518.32367	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	537.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
54.60522	1.0
55.05492	1.8
57.03425	1.5
58.99568	2.2
65.03935	3.7
67.05486	1.5
69.03416	3.2
69.07060	1.4
70.06587	1.3
70.90162	1.0
70.90485	2.2
73.99111	0.9
76.02225	16.6
76.03986	1.2
79.05501	2.4
81.03414	8.3
81.07047	2.6
82.03764	1.1
83.04950	1.4
83.08606	1.1
84.04497	2.4
85.02908	7.4
86.99036	1.0
91.05475	4.0
92.04993	2.1
93.07030	2.8
94.06555	2.4
95.04959	1.8
95.07352	1.6
96.08122	3.8
97.02892	3.3
105.07034	2.1
107.08571	2.6
108.08112	8.0
109.02923	1.4
109.06474	1.2
110.09672	4.9
111.04406	1.3
116.01677	4.8
116.04961	1.9
119.08579	2.0
120.04461	5.6
120.08101	3.3
122.06033	5.4
124.07569	2.2
127.03893	1.8
129.07014	2.1
130.05002	1.8
131.08568	1.2
131.55940	0.9
133.06509	1.4
133.10135	1.8
133.49037	1.1
136.07553	7.7
137.05980	10.9
138.09119	8.1
142.03214	1.8
144.01138	1.7
144.04436	7.3
146.06017	1.5
147.11705	1.6
148.03923	75.1
148.07523	2.4
149.58368	1.1
151.03889	10.9
151.07556	1.3
154.08577	1.4
157.06509	1.4
157.10161	1.0
158.10382	1.2
162.02184	6.5
162.05457	8.4
163.02501	1.6
166.04997	32.3
166.08632	20.9
166.09929	1.9
172.03928	40.4
172.05399	2.5
177.03322	1.0
177.05551	1.2
179.04846	10.9
180.05194	4.9
189.09041	0.9
190.05003	9.0
193.12245	1.3
194.08179	1.0
196.63513	1.1
203.07025	2.3
203.14374	1.1
204.06551	100.0
205.08548	1.5
211.13263	3.5
212.13634	3.5
222.07686	1.7
227.11775	2.2
233.05823	2.5
233.08014	2.3
234.06041	1.1
255.11287	16.0
273.12332	15.0
278.90186	0.9
283.10764	16.0
301.11819	64.7
305.09659	1.3
308.09149	9.8
309.09369	9.3
310.17746	1.2
319.12860	6.3
325.11606	3.0
329.14963	2.4
339.12952	3.9
343.12857	67.2
357.14426	24.3
371.55099	0.9
375.15390	7.1
501.18903	1.6
519.20380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05499	2.7
55.46188	0.5
57.03403	0.6
57.07068	0.6
67.05505	3.2
69.03405	1.5
69.07060	3.0
69.89952	0.5
70.98801	1.2
71.04990	0.6
79.05479	4.0
81.03401	0.8
81.07043	6.8
83.04968	1.1
83.08613	1.2
91.05446	4.8
93.07034	6.6
95.04947	1.1
95.08598	8.8
97.06506	1.1
97.10152	0.6
104.10932	0.5
105.07011	9.4
107.04947	1.5
107.08576	9.9
109.06512	1.6
109.10148	5.6
111.08074	1.1
115.05435	1.3
116.40041	0.5
117.07000	2.0
119.08566	12.5
121.06472	2.3
121.10130	5.4
123.08066	2.2
123.11694	0.9
125.09660	0.7
128.06207	0.6
129.06943	1.2
130.07793	0.6
131.08569	4.8
133.06473	6.6
133.10123	8.5
135.08037	22.9
135.11668	2.5
137.05934	0.6
137.09575	0.9
139.03960	0.6
141.07019	0.5
142.07809	1.1
143.08549	2.2
145.06534	0.6
145.10103	6.6
147.08040	5.6
147.11679	5.4
149.09601	4.4
149.13258	1.1
151.11188	1.1
155.08554	1.4
157.10088	4.3
159.08080	1.6
159.11676	5.0
161.09615	11.6
161.13213	2.9
163.03882	0.5
163.11221	1.1
163.14867	0.9
165.09048	0.6
169.10162	1.1
170.10924	0.7
171.11688	2.8
173.09622	1.5
173.13264	4.2
174.10345	0.8
175.11174	13.3
175.14766	3.4
177.12798	1.8
177.16438	0.6
183.11676	1.9
185.09489	1.1
185.13275	2.0
185.18008	0.5
187.11240	1.3
187.14807	2.2
189.12695	4.5
189.16418	2.0
191.14275	0.6
193.12193	0.7
195.11649	0.5
197.13235	1.2
199.11150	0.9
199.14824	1.4
201.12778	2.1
201.16354	1.2
203.14296	22.8
203.18074	0.8
205.15846	1.6
209.13228	0.8
213.16386	2.0
215.14235	0.8
215.18088	0.7
217.15854	18.6
219.13814	1.9
219.17456	0.7
225.12859	0.6
229.15971	1.0
231.17430	1.5
233.15492	0.6
236.60962	0.6
243.17456	0.9
251.17960	0.6
255.17670	0.8
257.19031	0.8
269.19009	0.6
293.13339	0.9
312.41116	0.5
333.22070	0.7
360.82071	0.6
396.26361	0.5
403.30032	0.9
412.66965	0.6
414.27579	0.6
421.31244	3.3
439.31909	3.8
457.33078	51.2
519.27863	0.8
537.28778	100.0
538.29218	1.7
552.87738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.05510	14.8
57.03434	12.3
57.07069	31.4
60.96988	1.4
65.03902	2.0
67.05497	40.1
69.07066	12.2
69.43552	7.7
69.43988	5.9
71.08630	21.4
72.83961	1.6
79.05485	48.4
81.03406	5.3
81.07047	39.2
83.04984	13.3
83.08615	12.1
84.59157	1.5
85.10170	10.4
91.05466	38.8
93.07032	44.0
95.04952	12.4
95.08597	31.6
97.06519	4.6
97.10139	7.3
105.07021	27.9
107.04926	3.0
107.08551	11.3
109.06499	4.4
109.10156	11.4
111.11724	1.7
115.05437	1.7
117.06988	6.1
119.08585	16.1
121.10100	2.6
123.08042	2.5
123.11679	1.9
129.07001	10.5
133.10129	7.4
135.11615	1.9
136.12943	1.6
143.08540	6.3
145.10126	7.3
145.19579	1.4
147.11661	29.4
161.09665	4.2
161.13297	8.9
171.11668	23.4
189.12668	10.1
190.15216	1.7
194.47339	1.7
207.13774	22.2
225.14740	4.3
239.23627	3.4
281.17450	70.7
313.27341	66.1
348.79999	1.6
519.40417	100.0
537.44122	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	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.05501	18.0
57.03435	11.8
57.07069	34.7
67.05498	50.1
69.07064	12.4
69.34547	10.5
69.34967	6.2
71.08624	27.0
73.06542	2.5
77.80154	1.8
79.05482	56.3
81.03410	4.6
81.06565	2.4
81.07047	42.8
83.04972	10.7
83.08617	15.1
85.06532	3.3
85.10173	14.3
87.95244	1.6
91.05470	41.4
93.07032	56.2
95.04949	19.2
95.08035	2.7
95.08601	35.5
97.06532	3.4
97.10158	6.2
105.07029	29.9
107.04946	5.7
107.08566	11.6
109.06519	4.0
109.10152	9.7
117.06990	8.4
119.08566	16.2
121.06528	2.3
121.10172	3.5
123.08092	3.7
123.11723	4.0
129.06993	16.8
131.08537	2.8
133.10062	7.8
135.11781	1.5
141.09067	1.8
143.08553	8.1
145.10114	6.9
147.11674	35.7
161.09639	4.0
161.13232	8.4
171.11661	25.8
189.12714	10.8
207.13795	29.3
239.23596	2.5
281.17465	60.0
313.23602	3.0
313.27325	70.1
519.40405	100.0
537.45361	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
53.77665	1.3
55.05502	15.6
56.56275	1.7
57.03428	6.7
57.07071	35.5
67.05501	21.1
69.03426	2.3
69.07060	10.2
69.41386	13.7
71.04979	4.9
71.08624	21.1
79.05482	15.8
81.03414	31.7
81.07048	29.5
83.04983	7.1
83.08611	24.7
85.02895	18.0
85.10173	15.9
91.05473	18.7
93.07048	10.9
95.04964	14.6
95.08602	20.6
97.02862	2.7
97.06517	2.4
97.10186	8.2
105.07023	14.0
107.04958	2.5
107.08586	5.5
109.06503	2.8
109.10137	9.6
111.08056	5.5
119.08568	10.1
121.10148	5.3
123.08015	2.8
123.11712	4.9
127.30518	1.6
129.07004	5.3
131.08536	6.5
133.06413	1.4
133.10159	6.8
142.07742	1.6
145.06975	1.5
147.08014	1.5
147.11674	9.8
149.09671	2.1
151.19098	1.4
157.10139	6.3
160.25909	1.5
165.12874	1.5
175.11151	7.1
193.12221	28.6
211.13300	32.5
253.25336	4.0
267.15732	6.8
327.28912	6.5
364.85089	1.5
519.40308	5.3
537.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
54.65910	2.8
55.01857	11.6
55.05505	28.2
57.03429	7.7
57.07067	8.5
59.47764	3.0
65.03915	4.1
67.05496	54.5
69.03429	9.5
69.07045	20.8
71.04964	5.0
71.08626	4.9
71.62949	5.0
73.02901	7.1
79.05483	47.5
81.03410	52.2
81.07046	100.0
83.04980	19.4
83.08604	27.1
85.06543	3.7
85.10169	3.8
91.05461	45.4
93.07037	41.8
95.04959	27.9
95.08588	34.2
97.02896	4.2
97.06528	9.6
97.10157	14.4
99.08067	4.1
105.07018	44.1
107.04922	18.4
107.08579	27.6
109.02850	7.6
109.06504	31.6
109.10144	16.8
110.33128	2.9
111.04425	12.8
111.08069	12.2
117.06989	10.3
119.08564	40.5
121.06512	10.9
121.10137	21.0
123.08057	11.7
123.11666	6.5
125.09605	7.1
127.03892	3.9
128.06271	3.5
129.07007	10.4
131.08566	22.4
132.99490	3.0
133.10124	25.7
134.77197	3.2
135.08060	8.0
135.11671	9.8
137.09584	4.2
139.11137	4.2
142.07823	3.6
143.08534	7.3
145.10080	18.3
147.08022	8.5
147.11740	17.5
149.09604	10.8
149.13161	3.8
153.09067	3.4
155.08487	4.7
157.10085	17.2
159.11731	11.2
161.09628	4.2
163.11163	10.9
171.11655	6.7
175.11200	14.6
177.12782	5.3
189.11217	6.1
191.00113	3.2
191.10744	3.6
193.12233	37.7
195.13773	3.7
211.13286	79.0
227.12733	4.7
229.19514	4.4
236.89909	3.3
239.23744	11.7
247.20615	3.8
255.17331	4.9
257.19089	9.5
273.18414	22.1
275.20016	99.3
291.19531	72.3
293.21140	35.3
309.20541	4.6
313.27258	8.9
317.48691	3.2
432.68326	3.2
449.29999	4.9
467.31421	8.6
485.32498	6.4
538.36707	4.7
539.20972	3.4
539.28979	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	538.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
55.01857	4.3
55.05502	21.1
57.03422	3.8
57.07072	6.9
65.03916	2.4
67.05155	2.0
67.05496	25.9
69.03419	6.2
69.07068	10.5
70.67977	2.8
70.68367	2.3
71.04985	2.2
71.08634	5.4
71.08955	1.3
73.02885	4.2
79.05481	25.5
81.03407	14.3
81.07052	27.0
83.04976	8.4
83.08603	23.9
85.02885	4.0
85.06540	1.9
85.10165	3.5
91.04950	1.9
91.05467	22.5
93.07036	21.9
95.04955	29.2
95.08598	21.4
97.02865	1.5
97.06508	4.8
97.10146	7.4
99.04443	1.5
105.07014	28.4
107.04926	9.9
107.08576	16.2
109.02882	6.0
109.06492	4.3
109.10149	11.2
111.04435	4.4
111.08040	4.7
117.06981	8.3
119.08558	20.9
121.06516	4.1
121.10117	11.3
123.08103	5.6
123.11696	2.2
125.09616	5.2
127.03908	3.1
129.06990	5.7
131.08559	12.9
132.99519	2.3
133.06468	1.3
133.10110	18.0
135.08012	5.3
135.11664	5.1
137.09586	3.2
139.11133	1.5
142.07716	1.4
143.08543	4.1
145.06372	1.4
145.10121	18.1
147.08018	3.3
147.11664	10.0
149.09602	24.0
151.11194	3.0
155.08571	3.1
157.10071	3.6
159.11702	7.6
161.09552	1.8
161.13245	2.7
163.11179	20.2
165.12791	2.0
169.10063	2.5
171.11703	2.6
173.09578	4.2
173.13234	3.7
175.11133	3.6
177.12788	3.2
183.11613	1.5
187.11171	2.3
189.11172	7.3
191.00105	2.3
191.10567	1.2
193.12230	8.5
194.64687	1.1
197.13243	1.6
201.04993	1.1
205.12206	2.0
208.35139	1.4
211.13222	18.2
211.14955	2.0
215.17914	1.8
223.13275	22.6
229.19400	3.5
239.17929	8.6
239.23619	7.7
239.59120	1.4
247.20483	2.1
257.18994	14.7
273.18423	1.3
275.20026	100.0
276.20508	1.8
291.19519	7.3
293.21072	57.1
294.21213	1.2
313.27408	6.1
506.68491	1.3
539.28571	7.9
554.37378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
53.63966	1.6
55.01875	17.3
55.05502	13.6
57.03429	20.1
57.07069	67.1
61.02904	6.2
65.03938	3.1
67.01888	1.9
67.05502	27.0
69.03421	48.2
69.07058	15.9
70.11510	8.0
71.04985	7.3
71.08620	51.8
73.02905	46.3
75.04478	2.0
79.05502	4.7
81.03406	37.6
81.03850	3.3
81.07043	38.3
83.04951	9.3
83.08608	22.9
85.02895	35.0
85.10174	26.5
89.06007	3.1
91.05463	3.8
93.03403	2.9
93.07020	5.1
95.04956	3.8
95.08594	48.1
97.02894	12.9
97.10152	16.7
99.04450	19.3
99.11734	4.0
103.03905	3.3
107.08611	2.7
109.02867	60.0
109.10139	23.4
110.03645	11.0
111.04427	53.7
111.11695	3.7
119.08592	2.7
121.10129	3.2
123.11691	14.3
125.13274	5.0
127.03893	31.6
132.99547	22.5
137.13257	7.6
145.10042	1.7
151.00621	7.1
152.69644	1.7
159.06526	1.9
172.99025	4.6
191.00063	27.1
192.03139	1.8
207.65947	1.7
209.01079	11.6
209.11758	6.7
221.22653	5.8
227.12639	2.9
239.23666	95.6
257.24649	9.6
265.03809	3.6
283.15530	2.7
298.27295	4.3
313.27347	46.5
322.18027	1.7
355.28421	3.5
457.61249	1.7
521.38031	2.4
539.19922	5.1
539.28802	100.0
539.38629	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	540.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01863	1.0
55.05506	0.6
57.02670	0.4
57.03207	0.3
57.03434	3.2
58.07418	0.3
60.18879	0.3
61.02916	1.1
67.05492	1.3
67.88068	0.3
69.03426	9.1
69.07063	1.1
71.04981	1.0
73.02924	2.5
75.04472	0.6
79.05503	2.8
81.03392	0.9
81.07043	1.6
82.81699	0.3
83.04983	0.4
84.04500	0.4
85.02893	8.1
87.04460	4.3
91.05476	23.5
93.07029	2.0
95.04967	1.5
95.08603	1.3
97.02894	8.5
98.20782	0.9
98.21484	1.1
99.04443	1.0
103.05473	0.8
105.07048	2.4
107.04947	100.0
107.08604	1.7
108.05273	0.6
109.02869	0.8
109.06512	0.5
109.10149	1.0
111.04436	1.0
115.03922	8.0
117.06997	0.7
119.08586	1.5
121.06509	1.8
121.10154	1.0
123.04399	0.6
127.03912	2.5
131.04918	0.6
131.08575	1.0
133.04956	9.5
133.06464	0.5
133.10126	1.6
135.08084	0.3
135.11653	0.4
137.05994	2.7
139.03857	0.9
143.08569	0.7
143.93503	0.3
145.04953	2.6
145.06473	1.3
145.10089	1.1
147.04437	0.6
147.08087	0.4
147.11687	1.2
149.05984	1.6
149.13292	0.5
150.07613	2.1
151.03889	0.4
159.11696	1.0
161.05983	0.8
161.09634	1.0
161.13217	0.5
163.03922	0.8
163.06183	0.7
163.07564	1.0
163.11162	0.8
163.14679	0.4
167.07031	0.5
171.11725	0.4
173.05959	0.5
173.13223	0.5
175.07480	0.5
175.14804	0.4
177.09135	0.4
181.12234	2.2
183.11671	0.5
185.13269	0.6
187.14835	0.8
187.42149	0.4
189.09167	0.5
189.16309	0.5
191.07071	0.9
191.14301	0.5
199.13307	1.4
199.14919	0.5
201.16412	0.7
203.07059	0.4
203.14388	0.5
221.08125	0.5
221.15503	0.4
223.06096	0.4
229.08621	5.5
239.09166	1.0
259.08163	0.6
331.22772	0.5
349.23761	1.1
355.12955	0.3
392.18454	1.7
423.32779	0.4
466.19543	0.5
469.33304	0.5
505.35492	0.9
540.20465	0.4
540.30078	0.5
547.78351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05490	0.7
55.53393	0.6
57.03432	4.9
59.04982	1.0
61.02925	0.8
65.03934	1.3
65.42199	0.5
67.05499	1.4
69.03423	20.2
69.07054	1.0
70.07449	1.1
70.07868	1.8
70.22119	0.5
70.36862	0.5
71.05015	1.2
73.02897	0.7
75.04472	0.7
79.05488	4.0
81.03403	1.5
81.07048	1.7
83.08607	0.6
85.02409	1.0
85.02896	13.2
87.04461	14.1
91.05470	100.0
92.05804	0.9
93.07044	1.6
95.04932	2.5
95.08598	0.9
97.02885	18.9
97.06528	0.5
97.10135	0.6
103.03966	1.3
105.07006	1.6
107.04942	78.1
107.08585	1.1
108.05298	0.7
109.02926	0.6
109.10146	1.3
111.04439	0.8
111.08053	0.7
115.03912	24.8
117.06957	0.7
119.04935	1.2
119.08594	0.9
120.08144	0.6
121.06493	1.6
121.10184	0.7
123.04431	1.8
127.03905	1.9
129.07037	0.7
131.04915	5.0
133.04951	27.8
133.10118	0.7
136.07596	0.8
137.05949	0.9
139.03864	0.7
143.08502	0.6
145.04933	2.5
145.06418	0.6
149.05969	1.2
149.09593	0.6
150.07605	0.7
151.03952	1.0
157.06474	0.6
161.09616	0.5
163.07582	0.8
163.76932	0.7
165.05524	0.5
169.04935	0.7
173.05928	2.6
177.05449	0.7
191.07051	4.4
203.06841	0.5
220.16782	0.6
229.06668	0.7
229.08591	5.8
229.14320	1.4
237.93327	0.5
241.07019	1.1
259.08203	0.9
295.10361	0.7
349.23709	1.7
374.17047	0.5
392.18179	2.2
466.19360	0.6
540.21289	0.9
557.46484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.1
69.23289	0.9
69.28783	4.1
69.29203	7.0
82.88917	0.8
83.77245	0.9
85.02880	5.3
91.05465	8.1
93.96852	0.9
95.04954	2.9
97.02885	1.2
103.31158	1.1
105.07052	1.4
107.04918	1.7
119.04932	8.2
121.06508	2.8
122.03668	1.4
128.06204	1.1
129.06990	4.4
131.04909	2.0
131.08606	1.7
135.08095	2.4
136.05182	1.3
137.05960	34.8
145.04944	1.2
145.06429	1.8
149.05983	4.1
150.22049	1.1
151.07520	45.4
157.06468	6.6
159.08070	1.3
161.05965	4.0
163.07533	10.7
165.06938	1.3
165.09077	2.2
167.07237	1.1
167.08521	5.1
174.06757	4.4
175.07535	3.1
177.09084	2.6
189.09082	20.6
193.06480	1.7
193.10088	2.6
195.08051	8.0
201.09117	2.3
207.10129	3.3
209.09587	1.2
211.07545	1.1
212.08260	1.6
219.10141	21.3
221.06010	2.9
221.09634	4.5
223.07481	4.9
224.08276	1.8
225.09079	3.1
227.10625	15.8
234.06685	1.1
237.08984	1.7
240.07664	1.8
241.12231	1.6
249.09123	3.8
253.08556	6.5
253.12196	8.8
255.10162	14.6
267.10184	2.7
269.07959	1.9
272.10437	1.9
281.11685	2.7
285.11145	11.6
287.12766	27.3
299.12735	1.6
311.12775	1.1
313.14313	25.2
331.15359	100.0
332.15765	1.7
343.15543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49368	0.5
56.96998	0.4
61.02919	0.6
61.59239	0.5
67.05515	0.5
69.03409	0.9
71.61707	0.7
79.05470	0.8
81.03389	1.1
81.07045	0.7
85.02905	3.2
86.09693	0.7
91.05467	3.2
93.06975	0.5
94.04145	0.6
95.04950	1.4
95.08572	0.7
97.02872	1.1
101.39818	0.5
103.05450	5.8
105.06999	0.7
107.04919	0.6
107.08607	1.2
112.00239	0.5
115.05491	0.5
117.06984	2.3
119.04911	1.4
119.08562	0.8
119.39619	0.5
120.53717	0.4
121.06493	1.2
122.03649	1.5
127.03914	0.6
128.06187	0.6
129.06985	1.2
129.09856	0.5
131.04912	14.5
135.04456	0.6
135.08029	1.0
137.05956	21.7
143.08534	1.2
145.06425	1.1
149.05942	2.2
151.03923	0.6
151.07521	14.3
157.06413	1.2
161.05951	3.3
161.09674	0.6
162.06720	1.3
163.07520	42.8
165.09100	0.5
167.08534	1.1
171.07990	1.1
174.06729	0.5
175.07521	3.4
177.09084	100.0
178.09372	0.8
189.09109	3.3
193.10144	1.2
195.08018	1.7
195.10130	2.6
200.55298	0.5
203.10597	0.8
207.10086	0.5
209.09647	0.5
212.08218	0.7
221.09694	0.9
221.11688	20.6
223.07590	1.1
225.09056	1.1
227.10611	3.0
253.08708	0.9
253.12196	1.8
255.10165	3.6
261.08810	0.5
265.08521	1.0
281.11795	0.8
285.11063	1.6
287.12741	5.6
299.12894	0.6
303.04947	0.7
311.12692	2.8
313.14310	5.3
327.13171	1.0
331.15363	21.1
339.13290	0.9
343.15363	2.8
367.12857	0.9
508.20303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15048	0.5
57.03418	0.7
58.73014	0.4
61.02913	0.9
61.98619	0.4
67.05481	0.5
69.03424	2.2
69.70786	2.8
69.77856	0.5
70.06580	0.5
71.04984	0.9
73.02921	0.5
76.54881	0.4
79.05479	1.0
81.03396	0.7
81.07022	1.0
83.04957	0.7
85.02416	0.6
85.02898	8.4
91.05466	5.9
93.07015	0.6
94.08955	0.5
95.04966	2.3
95.08585	0.7
95.98318	0.4
97.02874	1.8
99.04424	0.9
103.05449	1.5
105.07022	1.5
107.04929	2.2
107.08551	0.6
109.02867	1.0
109.06496	1.8
109.10139	0.9
111.04421	0.5
114.72066	0.5
117.06974	1.0
119.04924	5.0
119.08508	0.6
121.06486	1.7
122.03662	1.3
123.04498	0.5
127.03896	1.2
129.07021	3.2
131.04869	2.0
131.08588	0.8
133.06451	0.8
135.08037	1.9
136.05183	0.9
137.05960	27.1
143.04823	0.6
145.04930	1.0
145.06430	0.9
147.04398	0.6
147.08116	0.5
149.05956	5.3
151.03900	1.2
151.07527	36.1
156.86893	0.4
157.06470	4.1
161.05986	5.1
161.09586	1.0
163.06209	0.4
163.07524	9.4
165.07011	1.1
165.09091	1.5
167.08525	3.2
169.06506	0.6
174.06734	2.3
175.07492	3.1
177.05287	0.5
177.09074	3.3
178.07770	0.8
179.08582	0.7
181.06445	0.7
187.07516	0.6
189.09084	12.6
189.84447	0.4
193.06500	1.5
193.08502	0.4
193.10133	1.7
193.15849	1.2
195.08037	7.0
196.08672	0.4
197.09589	0.5
203.08435	0.5
207.08231	0.8
207.10141	2.3
209.06017	0.5
209.09587	1.0
210.06760	0.9
211.07484	0.6
211.16849	2.5
212.08380	0.7
213.09015	0.5
221.06047	2.6
221.09578	3.4
221.11700	1.0
223.07591	3.4
224.08290	0.9
225.05476	0.5
225.09152	2.5
227.10640	11.6
237.09088	0.6
238.06174	1.3
238.09833	0.8
239.06926	0.5
240.07843	1.4
241.12097	0.6
249.09079	1.7
252.07730	0.8
253.08591	4.3
253.12209	5.5
254.09244	0.6
255.06396	0.5
255.07292	0.7
255.10117	11.1
257.14590	0.4
265.08511	0.6
267.10120	2.7
269.08127	1.2
269.11581	0.6
272.10468	1.2
272.76315	0.4
281.11639	2.8
284.10419	0.8
285.11166	9.0
287.12753	21.9
297.11139	0.7
299.12784	1.6
301.14178	0.7
311.12738	1.0
313.14307	18.7
314.14719	0.9
331.15363	100.0
332.15912	2.0
343.15387	3.7
355.15277	0.7
483.62073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.8
51.02378	1.0
53.03937	5.5
55.01859	2.2
55.05505	24.1
57.03432	3.5
57.07062	2.5
59.04969	0.8
65.03925	4.4
67.05498	77.1
69.03413	2.0
69.07059	17.9
70.69363	2.1
71.04999	3.6
71.08610	0.9
73.06560	1.6
77.03906	1.8
79.05484	91.4
81.03410	8.9
81.07047	65.9
83.04481	0.8
83.04972	12.0
83.08602	9.8
85.06539	2.5
85.53497	0.7
91.05470	63.3
93.07032	89.1
93.33773	0.7
95.04348	1.4
95.04955	25.9
95.08596	45.3
97.02896	0.9
97.06517	4.9
97.10155	4.7
99.08082	1.9
100.50216	0.7
103.05437	1.2
105.04504	2.3
105.07018	45.8
107.04951	5.9
107.07851	1.6
107.08582	30.7
109.06483	5.6
109.10136	12.2
111.04362	0.6
111.08068	2.2
115.05460	1.6
117.07001	12.7
119.08560	26.1
119.87262	0.6
121.06494	2.2
121.10133	20.0
123.08067	5.4
123.11682	2.4
125.09621	0.6
127.07557	1.3
127.47112	0.7
128.06198	2.0
129.06985	14.5
131.08556	11.8
131.09485	0.7
133.10114	15.6
133.11072	1.1
135.08080	0.6
135.11668	10.1
137.09628	1.0
143.08557	8.7
145.08961	0.5
145.10092	13.8
147.08034	2.6
147.11671	32.8
149.13243	4.8
155.08548	1.1
156.09396	1.1
157.10126	2.8
159.11679	5.8
161.09636	3.8
161.13242	13.6
163.14803	0.9
169.10117	2.4
171.11659	24.4
173.13213	4.2
175.14812	1.2
181.10187	0.8
183.11696	2.3
185.13248	2.0
187.14828	2.4
189.12709	8.3
195.11760	0.9
197.13313	1.1
199.14798	1.4
201.16484	0.8
207.13773	26.4
209.13332	0.8
211.14780	0.8
225.14853	2.5
243.20959	0.9
261.22159	3.1
281.17487	1.2
317.24765	2.0
402.65195	0.7
431.32840	0.7
449.34177	2.3
463.06021	0.9
467.35318	1.1
523.37866	1.6
541.38855	100.0
542.39178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01859	0.3
57.03430	0.2
57.24630	0.1
67.05501	0.3
69.03404	0.3
70.06592	0.3
71.04978	0.4
71.60954	0.2
73.02896	0.3
78.04703	0.9
79.05476	1.1
81.03409	0.2
81.07063	0.8
83.04966	0.2
85.02904	1.2
86.09699	0.3
91.05475	0.7
92.49674	0.1
93.07017	0.5
95.04957	0.7
95.08611	0.4
97.02860	0.3
99.04441	0.1
99.85063	0.1
100.02174	0.3
103.05484	0.7
105.03416	0.2
105.07008	1.5
106.04153	0.7
107.04950	1.1
107.08572	0.2
109.02882	0.2
109.06539	0.3
110.09706	0.2
111.04433	0.2
115.05433	0.3
120.08075	0.1
121.06504	0.6
121.10092	0.2
122.03633	0.2
122.09704	0.2
123.04408	3.7
123.11710	1.0
124.05186	1.5
125.05953	0.2
131.04858	0.2
131.08563	0.2
133.06477	1.4
135.04390	0.1
137.05959	2.9
138.09119	1.4
145.04915	0.2
146.02673	0.3
147.08067	0.2
147.11667	0.4
149.05965	0.9
151.03902	0.5
151.07532	0.3
152.04634	1.2
160.04155	0.3
161.05974	1.7
163.07504	0.3
165.03659	0.3
165.12752	0.5
166.06303	0.2
167.07019	100.0
168.07350	0.9
169.08664	0.2
177.09055	0.2
179.07024	0.4
181.08563	1.0
183.13779	0.6
192.07819	0.7
193.03134	0.7
193.08575	4.9
201.14838	0.6
211.09630	7.2
212.09897	0.2
219.10202	0.2
225.05753	1.8
242.05795	0.2
243.06740	0.3
269.09232	0.2
269.12277	0.2
287.05496	0.8
288.05640	0.3
291.09692	0.2
303.04840	0.4
304.05118	0.1
308.21567	0.1
314.10483	1.5
319.48825	0.1
325.14218	0.2
332.11627	2.2
335.03400	0.2
337.56644	0.2
353.13754	0.3
371.14807	0.3
375.11823	0.3
482.18771	0.3
510.18481	0.4
524.20612	0.2
542.20758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14152	1.8
52.50218	2.0
55.05514	3.5
56.42036	1.8
57.03422	8.1
57.25745	1.6
67.05497	3.2
69.03419	6.4
70.97655	2.3
70.97977	4.4
71.04993	42.8
73.02907	4.7
75.04493	2.9
81.03420	2.3
83.04968	9.2
85.02412	3.8
85.02897	56.9
87.04451	4.3
91.05460	9.1
95.04969	8.0
99.04448	3.9
102.04650	2.1
103.05457	7.9
105.07011	9.9
107.04953	8.8
111.04440	11.1
113.06011	2.1
115.05447	6.0
117.06967	2.4
119.04909	10.9
121.06468	4.1
122.03648	2.8
129.05476	17.8
129.06961	4.2
131.04918	24.2
133.06483	13.1
135.08054	2.3
137.05971	100.0
141.07008	2.6
143.04906	4.1
145.06465	7.0
147.04434	23.2
147.06471	3.7
149.05963	26.5
151.07538	40.2
157.06461	10.7
158.07317	2.5
159.04427	6.6
159.08070	2.3
160.05165	6.2
161.05972	27.3
161.09650	4.9
162.06776	9.4
163.07538	51.4
165.09123	8.3
167.07001	7.8
169.06488	3.3
171.07967	4.4
174.06766	4.7
175.07541	31.7
176.04697	4.2
177.05469	16.8
177.09053	8.0
179.07036	18.2
181.06352	2.2
181.08598	6.1
183.08051	3.4
183.10155	4.1
185.06058	2.7
187.07568	11.7
189.09076	25.8
191.07008	43.4
193.08629	6.4
195.10117	4.0
197.05908	3.3
199.07516	8.5
201.09137	7.0
203.07019	11.8
205.08620	11.0
207.10103	12.8
211.07617	3.4
213.09070	3.6
215.07066	6.6
215.10606	5.9
217.08580	30.6
219.10159	7.0
221.08162	9.7
229.08606	15.2
231.10146	8.0
233.08093	14.4
235.09573	2.5
243.10158	5.1
247.09705	4.9
248.08975	2.1
249.11110	6.0
251.09087	3.4
255.10103	3.0
259.09735	14.1
271.09589	4.6
275.12762	6.0
277.10782	19.2
287.12485	3.7
289.10788	12.6
293.13791	3.5
295.11710	23.9
307.11795	47.3
331.15292	8.2
343.15338	4.0
391.98404	2.2
518.17920	2.5
542.22229	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	542.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.6
56.61667	2.9
57.03417	10.1
69.03407	10.2
70.64911	4.9
70.65296	4.9
71.04987	47.5
73.02881	4.9
83.04952	10.3
85.02413	4.8
85.02898	56.9
90.21667	3.1
91.05474	7.2
95.04935	4.9
97.06498	4.3
98.21287	5.2
99.04452	4.2
103.05456	7.5
105.07011	8.7
107.04945	10.4
111.04407	11.2
113.05961	3.4
115.05448	4.7
119.04946	7.8
121.06502	5.1
122.03568	4.0
127.03873	3.2
129.05492	14.6
129.06960	5.8
131.04912	25.0
133.06483	13.7
133.70824	3.2
137.05960	100.0
143.04886	4.4
145.06458	10.3
147.04407	20.5
147.06461	4.0
149.05959	25.7
151.07533	39.7
157.06485	7.4
159.04395	6.4
160.05232	3.1
161.05969	32.4
162.06795	7.7
162.49936	3.3
163.07533	51.9
165.09077	4.7
166.08574	3.6
167.07039	4.4
171.08096	4.8
174.06790	3.7
175.07552	28.4
177.05432	15.0
177.09103	10.1
179.07039	16.2
181.08551	5.6
183.07979	3.5
183.10110	3.7
185.06036	3.6
187.07530	7.2
189.09082	27.2
191.07014	48.1
193.08524	5.5
195.10152	3.5
197.05981	4.3
198.32202	3.1
199.07487	6.5
201.09052	7.1
203.06987	12.0
203.10626	4.1
205.08563	12.8
207.10144	11.7
207.93947	3.3
213.09082	6.5
215.07024	6.3
215.10710	3.9
217.08565	27.6
219.10129	8.8
221.08092	9.3
221.11711	5.9
227.10742	3.2
229.08450	14.4
231.10149	7.6
233.08047	23.6
241.08649	3.0
243.10100	4.3
249.11191	9.8
259.09570	17.9
275.12665	5.6
277.10596	19.8
289.10684	10.0
293.13998	3.9
295.11694	20.1
299.12631	3.4
307.11716	44.7
313.14093	4.2
331.15363	11.9
343.15268	5.7
470.72876	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	542.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49465	0.9
52.08477	1.0
55.05495	3.7
57.07072	35.5
57.82360	0.9
67.05480	4.2
69.07043	3.6
71.08624	30.6
71.64271	1.9
73.06551	7.1
73.13115	1.2
79.05476	4.0
81.07043	4.6
83.08607	4.5
85.02906	1.1
85.09652	1.1
85.10172	20.8
87.04478	4.9
89.06025	100.0
91.05456	3.8
91.07605	1.0
93.07011	2.9
95.04938	1.4
95.08615	1.6
97.10151	3.0
99.11716	3.6
105.06995	4.2
107.04937	1.3
107.07037	6.1
107.08617	1.5
109.10120	1.4
113.13264	1.6
117.09084	3.8
119.08573	1.7
121.10133	1.6
130.08614	4.5
131.07040	1.4
131.08507	1.4
133.08589	53.4
133.10075	2.1
135.11731	1.2
143.08575	1.5
145.10123	1.8
155.17984	4.9
157.10054	1.2
159.11668	1.3
161.11670	1.9
175.09659	1.2
177.11214	24.7
179.14328	1.2
195.12241	1.2
199.20512	4.5
203.48145	1.2
221.13809	4.1
239.14839	1.6
240.23225	2.4
243.23154	12.0
275.19928	1.5
283.17450	4.3
287.25845	7.2
327.19943	2.5
371.22546	7.9
525.40308	16.7
542.42371	3.2
543.37555	5.5
566.35699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
57.58257	0.4
62.01122	0.5
71.00355	0.5
75.76746	0.6
85.02875	1.4
97.02891	0.8
97.89636	0.5
98.21507	0.9
98.97559	2.1
101.48416	0.5
114.64498	0.5
116.98619	1.3
118.00306	0.5
119.01882	0.8
124.45777	0.5
128.98576	0.7
133.00787	0.5
137.02983	0.5
139.00766	2.1
145.00783	3.7
145.04990	0.5
146.99684	0.8
148.01289	1.0
151.00784	1.2
151.04584	0.6
154.01303	1.8
158.99640	1.2
160.01241	2.6
161.02998	0.9
166.01355	1.5
169.01875	0.6
170.99677	0.8
171.52043	0.6
172.01270	1.0
172.11459	0.5
173.02957	1.2
175.01825	0.9
177.00713	1.4
181.01851	2.3
185.02988	1.1
187.01848	1.5
189.00642	0.7
190.02379	2.0
196.02296	0.7
201.00671	0.8
202.02428	1.1
203.04095	0.9
211.02820	3.1
215.03749	0.6
219.01799	1.1
220.03387	0.6
232.03362	4.8
241.03955	0.5
242.31160	0.5
245.05046	1.2
252.54805	0.6
261.02975	0.9
275.06082	0.9
283.05176	0.7
291.04227	0.9
292.05600	1.9
309.04907	1.5
321.04877	0.6
363.06738	2.4
381.07867	5.2
463.64667	0.5
543.13165	100.0
544.13367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16080	0.4
53.03910	0.5
55.05472	1.0
56.96512	0.4
57.03382	1.3
59.16445	0.4
61.02880	0.7
67.05493	2.4
69.03371	1.4
69.07012	1.2
71.04987	2.2
71.05280	0.5
71.11571	0.4
71.61202	0.8
72.08115	0.4
79.05500	2.0
81.03365	1.5
81.07053	3.2
83.04900	0.7
83.08569	0.7
85.02896	2.7
85.06513	0.6
86.09671	0.5
91.05470	2.2
93.07043	2.9
95.04937	0.5
95.08533	1.6
97.02818	1.3
97.06465	0.9
99.04425	0.6
105.07017	2.0
106.07378	0.4
107.08527	1.3
109.02834	0.6
109.06482	0.4
109.10079	1.3
117.06946	0.6
119.08536	1.9
121.10072	1.3
123.04379	0.4
123.08004	0.6
125.73417	0.4
127.03822	0.6
129.06987	0.7
131.08479	1.4
133.10059	1.7
135.11650	1.0
137.05922	0.6
137.09555	0.7
139.03831	0.7
145.10089	1.0
147.11609	1.3
149.09566	0.8
149.13208	0.6
157.10027	0.9
159.07954	0.5
159.11604	1.3
163.03902	0.7
163.11119	0.7
171.11736	0.8
173.13138	0.6
185.13257	0.5
191.10646	0.5
193.12167	0.5
203.05177	0.8
220.15100	0.5
257.18839	0.7
275.20001	3.8
276.16223	0.4
333.24139	0.8
337.14224	0.5
349.23734	1.5
355.15332	0.7
363.25040	3.2
381.26086	87.0
382.26355	1.7
393.18359	0.7
481.31567	0.7
525.55200	0.5
543.31384	100.0
544.31622	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	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61955	0.5
53.03931	1.7
55.01865	2.4
55.05505	14.9
57.03439	3.2
57.07060	1.3
59.04993	0.6
65.03925	0.9
66.15219	0.5
67.05498	22.8
69.03421	1.4
69.07058	7.0
69.66005	2.8
69.66421	1.0
71.03088	0.4
71.04974	1.7
79.05486	16.9
79.05951	0.9
79.16577	0.4
81.03408	5.6
81.07047	18.2
83.04964	2.1
83.08604	7.3
85.02892	1.0
85.06533	1.5
91.05473	17.6
93.06456	1.0
93.07033	15.3
94.34962	0.5
95.04954	5.8
95.08591	11.4
97.06499	1.4
97.10159	7.4
98.21529	0.9
99.08109	0.9
103.05444	0.6
105.07021	14.6
107.04916	2.6
107.08595	9.9
109.06527	2.4
109.10139	8.0
111.08101	1.2
115.05449	1.3
117.06999	8.2
119.08568	11.9
121.06480	2.3
121.10117	5.1
123.08058	1.9
123.11673	1.7
125.09615	4.2
128.06215	1.8
129.06978	6.9
130.07755	0.9
131.04980	0.4
131.08557	13.5
133.06450	0.9
133.10124	7.4
135.08043	2.6
135.11690	3.1
137.09586	1.2
139.11177	0.6
141.06961	3.0
142.07762	1.6
143.08556	9.9
144.09386	0.6
145.06471	2.2
145.10109	12.7
147.08040	1.6
147.11653	5.1
149.09610	1.7
149.13275	1.2
153.06960	1.2
153.13753	0.6
154.07787	0.8
155.08553	5.6
156.09358	0.8
157.10112	8.6
159.08061	2.9
159.11676	7.3
161.09616	1.3
161.13229	2.6
163.11214	1.0
167.08577	2.3
169.10120	6.1
171.08061	1.9
171.11667	6.9
173.09653	2.2
173.11812	0.7
173.13214	5.8
175.11142	1.4
175.14880	0.8
179.08527	0.6
180.09262	0.7
181.10088	3.6
183.11658	4.7
185.09584	1.3
185.13231	5.7
187.11142	1.7
187.14758	2.6
189.11208	2.0
189.12770	0.9
193.10211	1.0
193.12222	1.7
195.07990	0.5
195.11664	3.2
197.13243	3.3
199.11192	1.4
199.14830	1.9
201.12732	1.0
203.14360	0.6
207.11667	1.6
207.99896	0.6
209.13307	2.3
211.13129	1.2
211.14868	2.1
213.12772	0.9
213.16435	0.9
215.14372	0.7
221.13289	1.4
223.14824	1.5
225.16467	0.6
227.12662	1.3
229.14148	1.0
233.13202	0.6
235.15024	0.6
237.16423	1.1
239.14229	0.9
239.17972	0.8
241.15868	0.9
241.19644	1.4
247.14845	0.6
247.17064	0.8
249.16438	0.9
259.20538	2.9
265.19580	0.7
267.15952	2.3
271.20416	0.5
275.20169	1.4
277.21777	0.9
281.22693	0.6
283.17090	0.8
283.20575	1.9
297.19128	0.5
297.22052	2.5
299.23663	4.1
301.21625	0.6
311.19931	0.8
311.23553	0.6
313.21777	0.8
315.23285	1.2
327.23267	0.6
333.24313	1.5
335.23538	0.7
339.23227	1.6
353.24860	0.8
357.24292	1.3
371.25974	1.5
405.31332	0.9
415.29861	1.5
423.32321	2.6
433.30899	5.6
451.32025	8.4
469.33154	4.5
487.34348	0.7
507.34567	1.8
515.37317	2.0
525.29553	0.5
525.35718	17.2
543.36768	100.0
544.37085	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.62504	0.4
55.01857	1.5
55.05257	0.7
55.05504	11.3
57.03180	0.5
57.03428	2.9
57.07053	0.8
63.58730	0.5
65.03918	0.8
67.05494	18.8
69.03404	1.0
69.07062	6.8
69.34119	1.8
69.34538	3.1
71.04967	1.2
79.05048	0.8
79.05482	14.0
81.03410	3.2
81.07048	15.2
83.04949	1.2
83.08613	6.2
85.02877	0.6
85.06525	1.0
91.05466	14.6
93.07027	12.1
95.04951	5.3
95.08589	9.4
97.06525	2.5
97.10155	6.8
97.36056	0.5
98.20769	0.9
103.22437	0.6
105.07021	13.1
105.60920	0.5
107.00257	0.5
107.04934	1.7
107.08582	8.5
109.06509	2.0
109.10141	6.1
109.63612	0.5
111.08065	1.7
115.05416	0.7
117.07002	8.3
119.08562	9.5
121.06490	2.4
121.10112	5.1
123.08034	1.5
123.11694	1.9
125.06062	0.4
125.09594	3.9
128.06221	2.0
129.06992	7.3
130.07756	0.8
131.08542	11.2
133.06499	1.7
133.10104	7.4
135.08034	2.0
135.11696	2.6
136.58963	0.4
137.09624	1.0
141.06961	2.2
142.07779	1.8
143.08540	6.9
144.09253	0.7
145.06512	2.3
145.10109	10.4
147.08047	1.3
147.11678	4.7
149.09616	1.0
149.13228	1.1
153.07025	0.6
153.09076	0.9
154.07732	0.7
155.08553	4.5
157.06502	0.9
157.10094	8.1
159.08073	1.9
159.11687	5.4
161.09578	0.9
161.13249	2.2
163.11165	1.3
165.06903	0.5
165.12715	0.5
167.08549	2.1
169.10071	4.5
171.08008	1.8
171.11665	6.5
173.09590	2.2
173.11838	0.8
173.13264	4.0
175.11191	1.0
175.14859	1.0
179.08636	0.6
180.09364	0.6
181.10135	2.1
183.08031	0.5
183.11656	4.1
185.09583	1.2
185.13231	4.8
187.11247	0.9
187.14828	2.1
189.11192	2.5
189.12669	0.5
189.16264	0.6
193.10161	0.9
193.12228	1.8
195.11635	3.1
197.13226	3.4
199.11205	1.0
199.14740	2.5
201.12761	0.8
201.16345	1.0
203.14337	0.6
205.09988	0.6
207.11662	1.1
209.13281	1.3
211.13136	0.7
211.14816	2.1
213.16414	0.7
215.14362	0.9
219.11670	0.5
221.13220	0.5
223.14796	1.3
225.16470	0.8
227.12701	1.3
237.16418	0.6
241.15817	0.8
241.19539	0.9
243.15742	0.5
247.16980	1.0
249.16368	0.8
255.21220	0.5
257.18994	1.1
259.20496	3.2
267.15805	2.4
275.20157	1.0
283.20547	1.6
297.18686	0.5
297.22186	1.7
299.20612	0.7
299.23663	3.6
301.21652	1.0
309.21970	0.5
311.19958	0.9
311.23517	0.6
313.21710	0.5
315.23233	1.2
325.21707	0.9
333.24252	1.7
335.23923	0.6
339.23285	1.4
343.22824	0.7
353.24570	0.5
357.24146	1.4
367.26382	0.6
371.25885	0.7
404.92236	0.5
405.31274	0.7
415.29904	1.7
421.26178	0.8
423.32452	0.9
431.27856	0.6
433.30930	5.7
435.27402	0.7
451.32056	8.3
469.33176	3.9
487.34485	0.8
489.33704	0.7
507.34668	2.1
515.37335	2.2
525.35712	18.1
543.36755	100.0
544.37091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03936	0.8
55.01857	2.4
55.05259	0.8
55.05506	11.9
57.03432	3.4
57.07061	0.9
59.54238	0.8
65.03909	0.7
67.05498	19.3
69.03425	1.5
69.07059	6.4
70.73602	2.2
71.04977	1.8
76.80235	0.7
79.05485	13.8
81.03409	3.7
81.07049	16.3
83.04961	1.6
83.08606	6.5
85.06532	1.0
91.05473	13.7
93.07032	12.7
95.04958	4.3
95.08597	9.3
97.06507	1.4
97.10157	7.3
99.08062	0.7
105.07018	11.6
107.04955	3.0
107.08581	8.6
109.06519	2.4
109.10147	7.0
111.08077	1.3
115.05445	1.3
117.06997	7.6
119.08569	10.5
121.06516	1.8
121.10149	3.9
123.08087	1.0
123.11720	2.0
125.09619	4.2
128.06207	1.6
129.07008	6.6
130.07751	0.9
131.08556	11.3
133.06500	1.5
133.10112	6.5
135.08023	1.9
135.11716	2.0
137.09561	1.3
139.17046	0.6
141.06998	2.1
142.07776	1.1
143.08545	8.9
145.06494	2.3
145.10078	8.8
147.08025	1.5
147.11650	4.4
149.09654	1.7
149.13287	1.8
151.11137	0.6
155.08549	5.1
156.09338	0.7
157.06541	0.9
157.10095	8.6
159.08044	2.4
159.11667	6.8
161.09560	0.9
161.13286	2.1
163.14900	0.7
167.08597	1.8
169.10130	4.3
171.08060	1.8
171.11665	6.9
173.09567	1.5
173.11841	1.0
173.13283	4.5
175.11223	1.6
175.14970	1.0
179.08597	0.7
181.10139	2.7
182.11000	0.9
183.07999	0.8
183.11667	4.5
185.09688	1.1
185.13242	5.0
187.11220	2.1
187.13242	0.8
187.14824	2.6
189.11209	2.5
189.12784	1.0
193.10196	1.7
193.12215	1.4
195.11661	3.3
197.13190	3.2
199.11169	1.1
199.14844	2.9
201.12798	1.7
201.16350	1.2
207.11766	1.2
209.13271	2.6
211.14847	0.9
213.12996	0.9
213.16368	0.8
215.14427	0.7
221.13321	1.1
223.14836	1.5
227.12624	3.5
227.18102	0.8
229.14215	0.7
233.15492	0.7
237.16176	0.9
239.18050	1.1
243.15895	0.8
247.16951	1.2
257.18912	1.0
259.20593	2.2
267.16049	2.1
275.20038	1.1
283.20563	2.1
297.22119	2.1
299.23679	3.7
301.21527	1.1
307.20532	0.8
315.23236	1.3
329.24863	0.7
333.24286	1.1
357.24136	1.4
415.29987	1.7
421.24667	0.7
423.32684	1.3
433.30939	4.7
441.33514	1.0
443.01270	0.6
447.78357	0.7
451.31934	7.6
455.95905	0.7
469.33051	4.2
487.34052	0.9
507.34412	1.5
513.29974	0.9
515.37549	2.0
522.30939	8.5
522.81134	4.6
523.30902	1.9
525.35724	19.1
542.82263	1.7
543.36786	100.0
544.37677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83587	0.5
51.02366	0.6
53.03938	3.0
54.87662	0.5
55.01870	5.4
55.05504	17.8
57.03427	4.6
57.07064	1.7
57.25162	0.5
59.04980	1.2
65.03933	2.4
67.05498	44.2
69.03415	1.4
69.07059	24.1
69.59018	2.6
69.59446	2.3
71.04980	3.6
73.06551	0.6
77.03956	0.6
79.05482	36.2
81.03409	4.4
81.07046	55.0
83.04972	5.8
83.08605	10.6
85.06544	2.6
91.05470	33.9
93.07035	35.6
95.01310	1.3
95.04957	9.5
95.08598	23.9
97.06522	8.7
97.10158	6.6
98.21487	0.7
99.08093	2.2
102.03040	0.6
103.05487	1.5
105.04524	0.6
105.07015	29.5
107.04955	6.2
107.08584	25.8
109.06504	5.7
109.10141	7.8
111.04409	0.7
111.08073	2.7
112.14568	0.6
113.09653	1.1
115.05444	1.4
116.06236	0.8
117.06999	13.1
119.08563	21.8
121.06457	3.2
121.10124	13.0
123.04426	0.6
123.08060	3.1
123.11694	3.1
125.09599	4.6
128.06161	1.6
129.06992	8.0
130.07809	0.6
131.08548	17.8
133.06479	2.0
133.10109	18.3
135.08052	3.5
135.11690	8.1
137.09599	1.7
139.11151	0.9
141.06961	3.6
142.07785	1.8
143.08539	8.3
144.09334	1.1
145.06468	1.5
145.10098	16.9
147.08034	1.8
147.11661	10.9
149.09601	6.7
149.13251	8.4
151.11211	1.9
153.07034	0.9
153.09102	0.8
155.08551	5.0
156.09349	0.8
157.10115	8.6
159.08026	1.5
159.11659	14.5
161.09624	2.2
161.13237	3.3
163.11160	4.4
165.09186	0.9
165.12750	1.3
167.08583	2.1
167.10623	0.7
169.10089	5.8
171.08191	0.7
171.11693	5.8
173.09637	1.8
173.13222	5.7
175.11179	1.8
175.14909	1.1
177.12764	3.1
179.08667	0.7
179.10616	0.7
179.14246	3.7
181.10124	2.1
181.12302	0.6
183.11632	5.9
185.09680	1.1
185.13222	4.2
187.11166	1.9
187.14844	1.9
189.11250	2.1
189.12759	0.9
193.10149	0.9
193.12248	1.0
195.11720	2.8
195.13869	3.3
197.13264	4.0
199.14841	2.4
201.12738	1.7
205.15785	1.0
207.11859	0.8
209.11560	1.1
209.13289	1.8
210.85205	0.7
211.14824	2.1
213.16502	0.8
219.13893	0.9
221.13318	1.0
223.14893	1.9
227.12750	1.9
229.19505	2.2
233.15248	0.9
235.14896	0.8
237.16354	0.9
239.17972	2.7
247.16974	0.6
247.20479	1.4
257.19034	6.9
259.20499	1.6
267.15714	1.6
269.17426	2.0
275.20035	31.0
277.21646	0.9
283.20587	1.3
293.21155	2.4
297.18643	0.7
299.20349	0.7
299.23749	2.4
301.21725	1.8
313.21667	1.1
313.25360	0.6
315.23312	0.8
325.21786	1.3
327.22998	0.8
331.22705	1.6
339.23099	1.0
349.23727	1.7
353.24777	0.9
357.24228	0.9
405.31445	0.8
415.29932	1.8
421.25497	0.9
423.32428	1.5
431.27820	1.4
433.30841	5.2
441.33566	0.6
451.32132	7.8
461.28802	0.7
469.33163	5.3
471.31387	0.6
487.34055	1.4
507.34543	1.9
515.37390	2.6
525.35736	20.5
543.36761	100.0
544.37103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	1.0
53.03911	2.9
55.01833	3.3
55.05507	14.2
57.03400	2.9
57.07033	1.9
61.15159	0.7
65.03898	2.3
67.05496	37.9
69.03390	2.6
69.07065	11.5
71.04953	2.8
73.02879	1.3
77.03888	1.0
79.05486	47.0
81.03371	2.1
81.07049	39.0
83.04977	4.5
83.08609	9.4
85.06512	0.9
91.05473	20.9
93.07036	64.2
95.04965	13.0
95.08595	46.3
97.02879	3.5
97.06549	4.2
97.10144	1.9
98.21480	2.2
99.04440	3.7
103.05458	1.3
105.04498	1.2
105.06371	1.1
105.07018	16.5
107.04947	10.0
107.08584	37.9
109.06475	2.6
109.10142	7.2
111.08056	2.4
112.59209	0.9
113.09608	0.8
114.42650	0.7
115.05401	1.1
117.07005	12.9
119.07788	1.0
119.08565	15.8
121.06483	6.1
121.10126	23.1
123.08062	0.8
123.11686	1.5
125.05924	2.7
125.09641	1.0
128.06163	1.0
129.06981	1.2
130.07744	2.3
131.08571	6.0
133.10109	7.3
135.08023	2.6
135.11681	46.1
138.35635	0.8
139.07520	1.2
143.08476	1.3
145.10112	28.7
147.11650	3.0
149.13194	2.6
153.12706	1.0
157.10031	0.9
159.11656	3.4
161.13245	2.1
163.11168	50.9
173.13214	2.2
175.14731	1.2
181.12213	10.1
183.11623	0.8
187.14844	0.9
209.11626	1.6
227.12752	100.0
229.69711	1.0
243.21005	1.7
260.83221	0.7
261.22156	5.1
267.12057	3.0
275.20044	1.8
317.24640	1.6
416.83182	0.7
469.32797	1.3
525.35889	1.5
526.08331	0.8
543.36823	79.0
544.37451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03934	1.3
53.89249	0.5
55.01856	2.1
55.05256	1.0
55.05505	12.5
56.73110	0.5
57.03428	2.4
57.07069	1.2
59.04992	0.5
60.26640	0.6
61.38399	0.6
61.91469	0.5
65.03941	0.6
67.05496	19.2
69.03423	0.8
69.07063	6.5
69.30137	2.9
69.30563	3.3
71.04974	1.5
79.05486	12.8
81.03416	4.2
81.07048	15.6
83.04975	1.6
83.08608	6.6
85.06522	1.1
91.05471	14.6
93.07031	13.1
95.04965	5.6
95.08599	8.6
97.06505	1.3
97.10162	7.3
98.21439	1.2
99.08051	0.9
105.07024	10.2
107.04936	2.1
107.08585	9.1
107.32973	0.5
109.06496	1.6
109.10142	7.0
111.08073	1.7
111.31474	0.6
111.40477	0.5
115.05393	1.3
117.06995	7.8
119.08562	9.5
121.06507	1.8
121.10136	3.9
123.08028	1.5
123.11673	1.9
125.09599	4.7
128.06232	2.3
129.07010	7.0
130.07802	1.1
131.08553	12.1
131.09483	1.0
133.06483	1.2
133.10117	7.3
135.08051	1.5
135.11693	2.6
137.09578	1.5
141.07053	2.7
142.07774	1.5
143.08548	6.9
143.10489	0.7
145.06473	2.2
145.10110	11.6
147.08086	1.2
147.11652	4.9
149.05956	0.7
149.09619	1.7
149.13300	0.9
153.06982	0.9
154.07722	0.6
155.08507	4.7
157.06502	1.1
157.10103	7.2
157.11259	0.6
158.35863	0.6
159.08133	2.8
159.11684	7.9
161.09570	1.0
161.13297	2.7
163.11168	0.9
167.08565	1.9
169.10110	5.5
171.08014	1.2
171.11639	6.4
173.09598	1.7
173.11848	1.1
173.13210	4.5
175.11127	1.1
179.08537	0.9
181.10062	3.0
183.11679	5.1
185.09634	1.1
185.13206	4.8
187.11235	0.9
187.14827	1.7
189.11194	1.8
189.12764	1.3
193.10287	0.5
193.12285	1.6
195.11667	3.1
197.13225	3.3
199.11284	1.3
199.14842	2.3
201.12703	1.1
201.16440	0.8
203.14378	0.7
207.11681	1.1
209.13258	2.1
211.14850	1.7
213.12759	0.8
213.16403	0.7
221.13344	1.0
223.14789	0.8
225.16457	0.7
227.12740	1.6
229.14336	1.3
235.14980	0.9
237.16393	1.0
239.18024	1.0
241.15852	0.9
241.19498	1.5
243.15895	0.6
259.20593	2.4
267.15909	2.1
281.22842	0.7
283.20428	1.3
297.18530	0.8
297.22180	1.7
299.20361	0.9
299.23730	3.5
301.21707	1.0
313.21658	0.7
325.21634	0.5
339.23175	0.7
357.24353	0.8
415.30179	1.7
421.25653	0.7
423.32617	1.3
433.31009	5.4
451.32001	8.9
469.33063	4.8
487.33957	1.3
507.34827	1.7
515.37390	1.8
525.29889	0.5
525.35736	16.5
543.36780	100.0
544.37341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.164
Annotation	Premithramycin A1
Peak:m/z	Relative Intensity
51.99380	0.5
53.03926	1.1
55.01846	1.5
55.05510	2.8
57.03421	1.8
61.02917	0.8
65.03914	0.8
67.05493	6.8
68.54631	0.4
68.99774	1.1
69.03416	1.1
69.07047	2.3
70.21538	1.9
71.01337	0.4
71.04975	1.4
73.02901	1.4
79.05489	6.3
81.03407	1.4
81.07056	6.3
83.04963	1.4
83.08591	0.8
85.02892	2.1
85.06511	0.8
85.54069	0.5
91.05469	6.7
93.07031	5.8
95.04932	2.4
95.08591	3.3
97.02864	1.3
97.06508	1.2
99.08092	1.9
103.05470	0.6
105.03373	0.8
105.07025	4.3
107.04940	5.0
107.08559	2.4
109.02865	1.0
109.06490	0.9
109.10145	2.0
111.00751	0.5
113.26410	0.5
115.03979	0.6
117.06995	2.1
119.04940	0.8
119.08577	3.1
121.02854	1.2
121.06432	0.8
121.10121	1.8
123.04398	0.5
123.08053	0.8
123.11736	0.8
127.03881	1.2
127.07566	0.8
128.06174	0.7
129.06985	1.7
131.04869	1.0
131.08556	1.9
133.06448	1.2
133.10123	1.8
135.04410	0.6
135.08081	0.8
135.11731	1.3
137.05948	0.7
139.03917	1.2
141.06999	1.1
143.08536	1.7
145.04927	0.6
145.06520	1.3
145.10104	1.5
147.04401	0.8
147.08093	0.9
147.11626	1.5
149.09599	0.9
151.03940	0.8
153.01808	8.6
153.06998	0.6
155.04929	0.9
155.08496	1.0
157.06465	0.5
157.10101	1.0
158.07227	0.5
159.04443	0.6
161.05876	0.5
161.09612	0.8
161.92084	0.5
163.03897	1.7
163.11143	1.2
165.01837	1.7
169.06485	0.8
169.10143	0.5
171.04361	1.0
173.09598	0.8
175.03809	0.9
175.07524	0.7
177.05458	0.8
179.03394	2.3
181.06480	0.6
181.10159	0.6
183.11841	0.5
187.03888	0.7
191.03346	2.5
195.02916	1.1
195.08029	0.5
195.11600	0.5
197.06049	0.6
198.42860	0.6
199.07484	1.0
199.11221	0.7
203.03391	1.6
205.04987	1.2
207.02855	1.6
213.05443	0.8
215.06985	0.8
217.04950	1.6
219.02974	2.7
220.03732	0.9
221.04443	1.4
225.05338	0.6
227.07045	0.7
229.04936	1.7
231.02882	0.9
232.03773	0.7
233.04430	1.8
237.02824	0.6
241.04924	1.3
243.06514	1.2
245.04448	1.6
247.02353	3.6
251.06918	1.5
253.05122	0.6
255.06494	1.4
257.04465	1.4
259.06070	1.0
261.03979	1.5
267.06525	1.4
269.04431	2.1
271.03238	0.5
271.05960	3.1
273.03876	2.1
273.18405	1.2
275.01801	0.7
279.06552	1.4
281.04520	1.2
283.06149	3.5
283.08932	0.7
285.03897	1.4
287.01843	2.2
287.05026	1.3
289.03485	1.8
291.19476	0.9
295.05939	2.0
297.03925	3.8
297.07626	1.6
299.05429	3.4
301.03503	1.2
305.02985	0.8
305.08167	0.6
307.05917	0.9
309.03912	2.3
309.07626	2.1
311.05405	2.6
313.03452	2.7
313.06775	0.9
315.04861	1.3
317.02814	1.0
317.08401	7.5
319.04620	1.2
321.07788	0.8
323.05600	1.6
325.03406	4.8
325.07111	2.9
327.04868	3.2
331.04840	0.6
335.05374	1.3
337.03342	0.9
337.07004	1.1
339.05148	1.8
351.04880	1.3
353.06561	1.8
355.61179	0.6
365.06509	0.7
365.23242	1.2
383.24301	0.9
389.13672	0.7
399.11197	0.6
407.14871	1.3
409.16666	1.4
417.13327	1.0
419.15063	1.4
435.14301	1.5
437.16003	3.5
445.12628	1.1
447.14273	2.3
449.15994	1.6
453.15872	0.9
463.13925	3.9
465.15393	13.4
473.11981	1.0
477.15439	0.8
481.14969	12.1
485.16589	1.6
491.13306	5.8
509.14392	49.7
527.15448	26.4
528.16199	0.6
544.31750	0.9
545.16187	100.0
545.32983	17.7
546.16559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01873	2.1
55.05503	6.2
56.96553	1.7
63.73404	0.8
67.05495	10.4
68.99786	2.0
69.03423	1.4
69.07066	3.9
71.04984	1.8
71.60996	1.6
77.03960	0.9
78.58391	0.7
79.05478	10.7
81.03419	1.5
81.07046	11.0
83.04962	1.8
83.08583	1.7
85.02897	2.8
91.05469	9.0
91.68112	0.8
93.07029	8.6
95.04955	2.6
95.08591	6.4
97.06540	1.5
99.04466	0.8
105.07006	6.0
107.04966	2.4
107.08579	4.9
109.06531	1.4
109.10169	3.1
111.00739	0.9
111.04456	0.9
111.08050	1.2
117.07021	2.4
119.04956	1.1
119.08590	3.7
121.06466	1.3
121.10162	3.2
123.04459	1.1
123.08081	1.1
123.11719	1.0
127.03942	1.4
129.07001	2.2
131.04927	0.9
131.08575	3.4
133.06509	2.2
133.10147	4.1
135.04385	2.2
135.07982	0.8
135.11697	1.5
137.09596	1.2
139.03928	1.7
141.06973	1.5
143.04901	1.2
143.08601	2.1
145.06519	2.5
145.10152	3.6
147.04414	1.7
147.08086	1.3
147.11665	1.0
149.09564	1.8
151.03900	3.2
151.11122	0.8
153.01805	16.4
153.07149	0.8
155.04919	0.8
155.08461	0.8
157.06554	1.0
157.10121	1.9
159.04401	1.2
159.08067	0.9
159.11743	2.2
161.06042	1.1
161.09579	1.2
163.03915	2.3
165.01897	1.6
167.08646	1.0
169.10205	1.7
171.04378	1.2
171.11642	0.8
173.05954	1.5
173.09604	1.1
173.13219	1.1
175.04027	1.2
175.11217	1.2
179.03401	2.3
183.11726	1.4
185.04366	0.8
185.06020	0.8
185.13371	0.8
187.03893	1.0
191.03409	3.6
193.05040	0.9
195.01411	1.0
195.02840	5.4
195.08258	0.8
197.06038	1.4
203.03426	1.1
207.02921	2.0
211.07500	0.8
213.05534	3.0
214.06273	0.8
217.04970	1.8
219.02959	2.6
220.03886	1.4
221.04495	2.2
225.05412	1.3
227.06937	1.3
229.05003	2.8
231.02969	2.5
233.04434	1.4
241.05005	1.8
242.05737	1.0
243.02882	0.9
243.06589	2.7
245.04524	2.9
247.02483	2.9
253.04944	2.8
255.06564	2.4
257.04556	3.7
259.06097	2.3
261.03912	1.7
267.06561	3.2
269.04401	7.6
269.07370	1.1
271.05960	7.9
273.04086	3.0
279.06604	2.4
281.04581	4.0
281.08090	1.9
283.02731	1.5
283.06076	5.5
285.03925	4.4
287.05493	2.5
289.03644	2.5
293.07993	0.9
295.06049	3.9
297.04034	9.7
297.07605	2.1
299.05490	10.6
301.03699	1.7
301.07272	1.5
307.06137	1.9
309.04041	6.1
309.07617	3.3
310.04691	1.7
311.02158	1.2
311.05508	5.6
311.08774	1.0
312.02689	2.0
313.03506	9.6
313.07095	2.1
315.05020	1.9
317.03104	2.3
319.04810	1.5
321.03989	1.3
321.07449	1.8
323.05801	4.0
323.08987	1.8
325.03424	21.6
325.07108	3.6
325.10767	0.9
326.04300	2.3
327.05020	7.8
335.05484	1.1
335.09229	1.1
337.03503	1.6
337.07263	2.9
339.05096	5.4
339.08359	1.3
341.02905	1.3
341.06738	1.1
343.04269	1.1
349.07080	1.1
351.04990	3.6
353.06561	1.7
356.15851	1.2
365.26758	1.6
371.04117	2.6
379.15707	1.1
383.27649	44.1
389.13901	1.1
391.15439	1.0
399.10751	2.9
407.14960	1.9
409.16599	1.3
417.13547	1.2
419.15009	3.9
421.17050	1.5
421.27615	1.2
435.14447	4.1
437.15988	10.9
439.17572	2.7
445.12610	1.9
447.14197	7.0
449.12341	2.1
453.15936	1.0
463.13895	11.2
465.15408	34.5
465.21863	1.7
467.13541	3.1
467.27542	1.0
481.14905	16.4
483.16394	13.4
491.13284	8.0
501.17603	3.1
509.14392	100.0
510.15338	1.1
527.15405	19.3
545.16400	7.1
545.32935	87.1
570.86945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01859	2.0
55.05507	6.3
58.21288	0.8
67.05169	1.1
67.05504	14.9
68.99800	2.3
69.03425	1.1
69.07051	3.3
69.43003	4.5
69.43438	3.4
79.05481	11.2
81.03414	1.6
81.07049	13.3
83.08593	1.0
85.02894	1.2
91.05473	8.2
93.07038	10.0
95.04969	2.8
95.08595	6.9
97.02792	0.9
97.06498	1.4
97.10133	1.1
98.21495	1.8
105.04422	0.9
105.07005	6.2
107.04957	5.1
107.08590	3.2
109.06477	1.4
109.10146	4.0
111.00795	1.2
115.05444	1.4
117.07010	1.9
119.04924	1.6
119.08576	3.6
121.02869	1.2
121.06516	1.8
121.10134	2.7
123.11664	2.0
128.06177	0.9
129.06985	3.3
131.04901	1.3
131.08531	2.1
133.06482	3.3
133.10120	2.5
135.04391	2.1
135.11638	1.4
139.03860	1.4
145.06538	1.8
145.10118	2.6
147.04399	1.3
147.11716	2.2
149.02351	1.6
151.03940	1.2
153.01801	15.9
157.06474	1.6
157.10141	1.2
159.04431	1.2
159.11696	0.9
161.05969	1.6
161.09622	1.7
161.13243	1.1
163.03893	3.2
163.11185	2.2
165.01790	1.2
167.08672	1.0
171.04347	1.1
171.08115	1.5
171.11644	1.3
173.05969	1.3
175.03923	1.3
177.05476	1.0
179.03410	3.0
183.04297	1.1
187.03915	1.4
191.03404	6.8
195.02864	4.4
197.06021	1.1
199.03925	1.1
201.05452	1.4
203.03354	3.3
205.04930	4.7
207.02867	3.1
213.05513	1.8
213.94772	1.0
217.04979	2.2
217.12146	1.6
219.02898	10.2
220.03593	2.6
221.04439	4.6
229.05042	3.1
231.02934	2.2
232.03545	1.9
233.04442	4.9
241.04965	2.8
243.06506	2.4
245.04486	2.9
247.02348	19.1
251.06519	1.1
253.04945	1.2
255.06482	2.2
257.04474	3.3
259.02341	1.4
259.06088	2.1
261.04001	5.3
265.03442	1.3
267.06512	1.7
269.04434	5.9
271.02441	1.1
271.05939	5.9
273.04031	1.3
275.01852	2.4
277.03354	1.0
279.06506	3.5
281.04431	3.4
283.06085	6.4
285.03879	4.2
285.07492	2.5
287.01923	3.7
287.05521	3.0
289.03467	4.1
291.01428	1.6
293.03131	1.5
293.07913	1.3
295.06049	4.5
297.04001	7.6
297.07159	1.6
298.04727	1.3
299.02216	1.3
299.05511	6.4
301.03461	1.5
301.07141	1.1
305.02844	3.9
307.05927	1.4
309.03888	4.4
309.07452	2.9
311.02185	0.9
311.05493	3.5
311.12848	1.2
313.03458	9.0
313.06921	1.7
315.04883	1.9
317.02905	1.8
321.07550	1.7
323.05420	3.3
325.03387	12.3
325.07034	3.8
327.04852	2.7
333.07431	1.2
335.05133	2.7
335.08865	1.3
336.15240	1.0
337.03448	1.4
337.06985	1.4
339.05023	1.8
339.08643	1.2
341.06458	1.4
349.07001	1.4
351.04837	3.4
351.08701	1.3
353.06598	1.9
358.58163	0.9
365.06430	1.4
381.17365	1.0
391.15289	1.5
399.10620	1.6
407.14868	2.1
409.16379	3.0
419.14764	3.3
435.14279	5.3
437.15881	11.7
439.13770	1.2
447.14331	4.1
453.15506	1.3
455.16916	1.9
463.13748	12.1
465.15421	24.5
481.14948	32.7
483.16367	3.1
491.13406	7.9
499.15900	2.1
509.14374	100.0
510.14716	3.9
527.15460	48.0
528.16052	2.3
545.30920	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	545.1987
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
56.73552	0.3
70.60706	1.0
85.02907	0.6
86.09680	0.6
105.77689	0.3
107.08553	0.4
111.61907	0.3
137.05983	0.4
149.09700	0.3
262.54263	0.4
300.79166	0.4
309.09357	0.6
383.14615	1.1
470.88962	0.4
545.19873	100.0
546.20532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	1.2
53.03930	2.1
55.01874	6.9
55.05508	12.1
57.03442	7.0
61.02906	1.2
63.14398	1.1
64.04566	1.3
65.03938	1.2
65.60199	1.1
67.05502	20.4
69.03414	3.2
69.07070	5.7
70.74756	3.0
70.75147	2.0
71.04973	6.6
76.69760	1.1
78.25370	1.2
79.05486	32.7
81.03412	5.9
81.07048	81.7
83.04973	12.3
83.08619	6.1
85.02902	12.3
85.06539	2.1
91.05473	15.7
93.07040	20.7
95.04964	11.2
95.08596	10.3
97.02870	2.9
97.06528	4.7
97.10156	5.3
99.04453	3.0
105.03397	1.8
105.07018	14.7
107.04935	7.8
107.08587	11.0
109.06503	34.4
109.10166	8.2
111.04427	15.6
111.08071	4.5
117.07005	8.1
119.08574	25.4
121.06507	6.9
121.10137	10.7
123.04438	1.8
123.08057	6.1
125.06017	1.4
125.09605	4.7
127.03895	1.8
129.05458	2.9
129.06999	4.7
131.08534	10.1
133.06467	2.7
133.10120	5.7
135.08043	5.6
135.11653	7.1
137.09602	4.0
143.08525	3.8
143.09572	1.5
143.24289	1.6
145.10114	14.6
147.08023	9.4
147.11682	6.0
149.09590	5.0
153.12733	5.9
155.08539	1.4
157.10077	4.0
159.08043	1.8
159.11678	4.6
161.09563	9.0
161.13220	1.3
163.11168	9.9
163.14813	1.4
165.09126	4.3
171.11632	3.3
172.73680	1.2
173.09554	3.0
173.13203	2.3
175.11185	1.5
181.12222	5.3
183.10196	2.0
184.07307	1.5
185.13293	1.6
187.11292	1.4
189.11191	3.8
191.10704	2.9
193.38817	1.1
209.11636	1.2
223.13292	3.2
227.12758	3.8
227.17845	1.5
229.14352	3.0
241.05008	1.6
245.18991	1.6
249.14838	4.5
255.17332	1.6
261.59409	1.2
273.18439	21.6
283.15463	3.1
291.19501	100.0
292.12564	1.5
295.88879	1.3
297.03897	7.8
313.03326	1.8
347.22171	11.2
365.23239	82.9
399.10715	12.7
467.27448	1.9
545.14679	1.7
545.33313	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	545.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01853	7.1
55.05503	13.6
56.96554	1.3
57.03425	5.8
61.02911	3.2
65.03953	1.4
67.05500	23.1
69.03430	4.0
69.07059	6.1
71.04983	6.1
71.61204	2.1
79.05485	31.0
81.03410	4.7
81.07047	92.7
83.04971	11.3
83.08610	6.6
85.02894	15.3
85.06553	1.6
86.09701	1.5
91.05469	15.1
93.07025	21.7
95.04948	12.1
95.08604	10.9
97.02877	4.3
97.06522	6.0
97.10153	9.0
99.04453	3.9
99.08078	1.6
105.07011	18.2
107.04949	6.5
107.08594	13.2
109.06510	41.5
109.10139	8.7
111.04443	15.2
111.08076	5.6
115.05487	1.7
117.06310	1.4
117.07011	8.3
119.05002	1.5
119.08566	26.8
121.06490	9.5
121.10133	10.9
123.08004	6.8
125.09657	6.5
126.80145	1.4
129.05472	3.0
129.06992	4.8
131.08527	11.6
133.06525	3.0
133.10126	5.7
135.08060	5.6
135.11639	8.4
137.09627	3.8
139.03877	2.6
143.08536	4.2
145.06544	1.4
145.10103	13.6
147.04401	2.5
147.08031	13.9
147.11664	3.3
149.09618	5.5
153.08884	1.4
153.12753	5.2
155.08597	1.9
155.85304	1.5
157.06563	1.8
157.10103	3.2
159.08055	2.3
159.11641	3.7
161.09573	7.1
161.13155	1.6
163.03908	2.7
163.11186	10.2
165.09100	3.8
169.10211	1.5
171.11684	4.0
173.09619	3.6
181.12238	6.0
185.13275	2.5
189.11244	2.9
189.12712	1.7
191.10655	4.6
193.12144	1.9
199.14716	1.4
209.11629	1.5
217.15730	1.5
223.13200	3.4
227.12787	5.9
227.18066	1.7
229.14192	3.0
231.47316	1.4
242.48691	1.5
245.18990	2.0
249.14809	3.9
255.17593	2.0
257.04718	1.7
273.18445	25.6
283.15393	2.6
291.19504	100.0
292.12238	1.5
297.03769	8.4
301.03638	1.8
303.05255	1.9
313.03320	2.9
347.22150	13.8
365.23196	96.9
375.43860	1.4
399.10654	17.5
446.83130	1.3
467.27905	2.7
523.57153	1.5
545.14569	2.5
545.32019	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	545.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01871	16.5
55.05258	2.0
55.05507	38.5
57.03432	24.8
57.07083	2.3
61.02631	2.9
61.02922	44.2
65.03931	2.2
67.05501	48.9
68.99773	1.7
69.03425	31.7
69.07063	32.4
71.01329	3.0
71.04990	11.6
73.02917	24.3
74.81393	1.6
79.05488	47.7
81.03412	28.3
81.07050	85.5
81.68005	1.5
83.04981	21.1
83.08610	19.6
85.02900	52.0
85.06534	4.6
87.04440	1.7
91.03938	23.0
91.05473	36.3
93.07040	43.0
95.04964	22.6
95.08597	29.1
97.02887	35.7
97.06523	20.3
97.10160	31.5
97.10759	2.5
99.04446	9.8
99.08088	14.1
101.02376	9.2
103.03931	4.3
103.05469	1.7
105.07023	28.0
107.04964	14.0
107.08590	29.5
109.02866	10.2
109.06509	16.2
109.10146	17.8
111.04437	16.0
111.08076	8.7
113.06027	1.8
115.03959	4.0
115.05450	3.1
115.07555	7.3
117.07009	17.0
119.04974	2.5
119.08559	26.9
121.06527	11.0
121.10130	19.3
123.04412	2.8
123.08056	27.4
123.11685	4.0
125.05959	1.8
125.09618	31.4
127.03918	17.2
127.07547	4.7
128.06183	1.9
129.06976	8.3
131.04900	2.1
131.08568	21.1
133.06480	4.8
133.10118	19.2
135.08055	12.4
135.11668	12.5
137.09631	7.8
139.03903	2.0
139.11206	2.9
141.06929	1.8
143.08549	8.0
143.10698	2.0
145.04951	4.7
145.06502	3.6
145.10106	18.1
147.08037	13.3
147.11682	10.7
149.09645	10.3
149.13258	3.8
151.11169	2.1
153.01807	5.9
153.09067	7.9
153.12752	6.4
155.08534	3.4
157.06432	1.8
157.10149	7.4
159.08015	3.6
159.11690	7.9
161.09619	7.8
161.13315	2.7
163.11172	22.7
165.01640	1.7
165.09120	6.9
165.12740	4.0
171.10333	2.2
171.11693	7.6
173.09654	6.1
173.13290	2.6
175.11203	7.0
177.12767	4.1
179.10670	1.9
181.12193	10.7
183.06538	6.0
185.09616	2.9
185.13246	3.6
187.11208	2.2
189.11200	44.7
189.12852	3.9
191.10661	10.5
193.12227	5.4
199.11208	1.8
199.14778	2.1
201.07558	2.5
201.12712	2.0
201.16440	2.0
203.10648	2.3
205.12315	2.6
209.11671	2.8
211.13234	2.2
217.15932	3.6
219.02975	1.9
223.13284	5.8
227.12750	22.8
227.17920	3.6
237.16418	2.4
245.13803	2.3
245.19048	7.8
247.02390	2.1
249.14842	1.9
250.23723	1.8
255.17552	8.4
261.03806	2.4
263.20056	6.5
267.15945	3.0
269.17456	2.5
271.05804	1.8
273.18454	46.7
283.06085	2.0
283.15579	2.6
285.04001	2.1
287.01840	2.4
291.19522	100.0
297.03922	1.9
299.05414	4.3
301.28186	1.7
309.20670	12.2
313.03406	4.5
325.03494	3.3
325.07031	2.8
337.23868	2.6
347.22061	12.8
351.04880	2.1
365.23175	36.5
365.27304	2.7
383.24237	66.7
389.22925	2.7
407.24194	2.0
431.24417	1.7
437.15863	3.5
455.16766	2.6
463.13690	4.4
481.14764	15.8
491.13596	2.3
491.26416	3.4
509.14209	11.6
509.27206	4.8
527.15442	17.8
527.28162	3.4
545.16229	11.0
545.33136	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	545.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51143	0.2
54.59324	0.2
55.05489	0.7
56.23916	0.2
57.03422	0.3
57.07083	0.2
67.05490	0.6
67.80488	0.2
69.03416	0.4
69.07056	0.3
70.75158	0.7
71.04969	0.4
72.93122	0.2
76.95160	0.2
79.05479	0.5
81.03374	0.5
81.07049	1.3
83.04980	0.6
83.08620	0.2
85.02879	0.5
91.05449	0.7
93.07027	0.4
95.04971	0.2
95.08602	0.5
97.02860	0.5
97.06527	0.4
100.11214	0.4
100.98320	0.2
105.07039	0.7
107.08572	0.6
109.10118	0.4
111.04421	0.4
119.08569	0.6
121.10101	0.4
123.08025	0.3
131.04895	0.3
131.08574	0.4
133.10138	0.6
139.03885	0.5
143.08578	0.3
145.06523	0.2
145.10104	0.6
147.04335	0.2
147.08037	0.3
149.09686	0.3
153.01813	0.5
157.10107	0.3
159.11659	0.4
161.09673	0.3
163.11218	0.3
182.15338	0.2
185.13231	0.2
220.10046	0.2
233.15230	0.4
241.12582	0.2
247.63451	0.2
249.62946	0.2
291.19208	0.4
295.70062	0.2
299.82794	0.2
355.08350	0.3
365.23148	0.4
383.27737	2.2
399.10577	0.4
451.29053	0.3
497.30475	0.5
509.14850	0.3
510.16031	0.3
527.15417	0.5
527.31744	0.4
545.32916	100.0
545.84698	1.1
546.33380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51143	0.2
54.59324	0.2
55.05489	0.7
56.23916	0.2
57.03422	0.3
57.07083	0.2
67.05490	0.6
67.80488	0.2
69.03416	0.4
69.07056	0.3
70.75158	0.7
71.04969	0.4
72.93122	0.2
76.95160	0.2
79.05479	0.5
81.03374	0.5
81.07049	1.3
83.04980	0.6
83.08620	0.2
85.02879	0.5
91.05449	0.7
93.07027	0.4
95.04971	0.2
95.08602	0.5
97.02860	0.5
97.06527	0.4
100.11214	0.4
100.98320	0.2
105.07039	0.7
107.08572	0.6
109.10118	0.4
111.04421	0.4
119.08569	0.6
121.10101	0.4
123.08025	0.3
131.04895	0.3
131.08574	0.4
133.10138	0.6
139.03885	0.5
143.08578	0.3
145.06523	0.2
145.10104	0.6
147.04335	0.2
147.08037	0.3
149.09686	0.3
153.01813	0.5
157.10107	0.3
159.11659	0.4
161.09673	0.3
163.11218	0.3
182.15338	0.2
185.13231	0.2
220.10046	0.2
233.15230	0.4
241.12582	0.2
247.63451	0.2
249.62946	0.2
291.19208	0.4
295.70062	0.2
299.82794	0.2
355.08350	0.3
365.23148	0.4
383.27737	2.2
399.10577	0.4
451.29053	0.3
497.30475	0.5
509.14850	0.3
510.16031	0.3
527.15417	0.5
527.31744	0.4
545.32916	100.0
545.84698	1.1
546.33380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01855	2.4
55.05505	21.6
56.68448	1.0
57.03431	7.0
58.79514	1.0
65.03904	2.0
67.05496	45.8
69.03433	2.7
69.06763	1.2
69.07060	13.0
69.61382	6.7
69.61788	2.2
71.04978	5.1
76.76958	1.2
79.05486	40.2
81.03411	28.1
81.07050	41.2
83.04967	7.2
83.08605	16.0
85.02897	12.2
85.06519	2.3
91.05472	36.7
93.06457	2.4
93.07035	41.4
95.04964	17.7
95.08595	28.3
97.06518	3.5
97.10159	5.9
98.21049	4.1
99.08105	2.2
103.05475	1.8
105.04481	1.3
105.07024	24.6
107.04945	3.5
107.08582	19.1
109.06504	3.4
109.10154	9.9
111.04488	1.9
111.08064	4.9
117.07018	7.8
119.08573	21.7
121.06519	2.5
121.10132	19.0
123.08080	2.1
123.11684	4.1
125.09612	4.3
125.82796	1.1
129.06993	6.9
131.08565	15.2
133.06482	2.2
133.10101	11.0
135.08044	1.4
135.11678	8.2
142.07756	2.1
143.08548	2.1
145.10121	9.5
147.08049	2.0
147.11671	12.0
149.09633	3.7
149.13266	4.6
149.32384	1.0
155.08569	1.2
157.10117	8.9
159.11737	6.3
159.12817	1.3
161.13261	3.5
163.14839	1.6
165.12724	1.5
169.10205	1.8
171.11591	2.3
173.13284	4.5
175.11179	7.1
175.14778	3.3
183.11775	1.6
185.13275	2.6
187.14835	3.0
189.11276	1.7
193.12224	26.5
195.11826	1.6
195.13797	2.0
199.14900	1.6
209.13179	1.6
211.13252	31.0
227.12746	1.6
243.21022	2.0
259.20547	1.7
261.22144	5.1
267.15970	6.8
285.21970	1.4
301.25220	3.3
329.69467	1.1
335.25903	4.7
435.32837	2.1
453.33716	4.0
471.34619	3.6
527.37354	21.0
545.38318	100.0
546.38885	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01855	3.6
55.05256	1.1
55.05504	19.7
57.03429	8.6
57.07060	1.2
59.04994	2.1
65.03917	2.8
67.05495	48.8
69.03406	2.8
69.07059	12.0
71.04987	4.5
79.05481	48.7
81.03406	33.7
81.07045	46.1
83.04966	6.9
83.08611	16.8
85.02893	16.8
85.06533	1.9
91.05470	34.8
93.07030	46.7
95.04958	21.3
95.08591	30.7
95.09207	0.9
97.02864	2.0
97.06511	5.5
97.10155	6.5
98.36558	0.9
99.08069	1.7
105.04512	1.2
105.07019	27.2
107.04926	4.9
107.07852	1.3
107.08579	23.7
109.06507	3.5
109.10143	12.9
111.04436	1.0
111.08069	6.5
113.05991	1.9
115.05429	1.6
117.07011	6.8
117.61019	0.7
119.08561	22.3
121.06514	1.6
121.10123	21.5
123.08046	2.7
123.11677	3.8
125.09616	3.4
129.06992	7.9
131.08542	16.4
133.06490	2.0
133.10107	12.5
135.08031	1.6
135.11667	10.1
137.09583	2.3
137.13199	0.8
142.07782	1.6
143.08554	2.5
145.10104	8.5
147.07983	1.5
147.11676	11.7
149.09628	3.8
149.13240	4.0
151.11180	1.3
157.10107	8.0
159.11652	6.9
161.13231	4.9
162.60931	0.8
163.11147	1.1
163.14813	1.2
165.12715	2.0
169.10098	1.6
171.11729	2.7
173.13255	3.0
175.11159	7.9
175.14803	2.1
177.16434	1.3
183.11723	2.2
185.13292	2.0
187.14789	1.9
189.11229	2.0
193.12219	31.7
199.14799	1.2
201.16348	1.3
211.13257	37.0
227.12810	2.3
238.33690	0.8
243.21283	0.9
259.20673	0.9
261.22195	5.3
267.15851	6.4
284.49097	0.8
285.21988	0.9
301.25299	2.8
317.24789	1.5
335.25763	5.6
359.65958	0.9
417.31497	1.3
435.32596	2.8
453.33539	2.9
471.34775	1.8
527.37256	15.9
545.38318	100.0
546.39130	4.9
564.18146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01857	4.5
55.05503	20.6
57.03429	6.9
57.07058	1.5
65.03918	1.8
65.18269	1.0
67.05495	43.9
69.03409	4.1
69.07062	11.3
70.67854	1.0
70.68192	3.7
71.04986	1.7
79.05054	1.5
79.05484	27.4
81.02970	1.4
81.03411	18.1
81.07046	41.3
83.04987	5.1
83.08604	13.7
85.06559	1.5
89.92544	1.1
91.05463	24.0
93.07031	26.1
94.75059	0.9
95.04964	14.4
95.08595	25.5
97.06529	3.2
97.10159	14.7
105.07014	22.0
107.04935	5.0
107.08578	22.3
109.06497	4.5
109.09450	1.4
109.10145	19.7
111.08058	3.8
117.07012	8.2
119.08559	19.0
121.06500	5.8
121.10114	14.9
123.08076	3.0
123.11697	6.2
125.09612	13.7
128.06204	1.2
129.06989	6.1
131.08553	16.2
133.06490	2.1
133.10117	13.5
135.08061	5.3
135.11679	11.7
137.09607	2.0
137.13272	2.1
138.59676	1.1
141.06987	1.9
143.08549	4.4
145.06490	1.8
145.10100	13.9
147.08026	3.6
147.11694	9.0
149.09607	4.5
149.13232	3.7
153.12650	1.4
155.08565	1.8
157.10094	6.9
159.08060	1.4
159.11674	9.3
161.09589	1.7
161.13263	5.3
163.11131	2.0
163.14828	1.5
167.08571	1.3
169.10132	2.5
171.11609	5.4
173.11931	1.2
173.13232	6.8
175.11163	2.8
175.14764	2.1
177.16312	1.3
183.11719	1.8
185.13251	5.4
187.11235	1.5
187.14809	3.0
189.11171	6.4
189.12695	1.4
189.16307	1.8
193.12212	7.5
195.11676	1.9
197.13217	3.2
199.14810	2.3
201.12791	1.2
201.16377	2.9
203.14352	1.3
205.12103	1.3
213.16431	1.8
225.16574	1.1
227.12700	12.9
233.15308	2.5
243.21095	2.7
247.16928	1.5
249.14806	1.6
261.22095	8.7
267.15854	18.4
279.19647	1.4
279.23132	1.7
283.24057	1.6
285.22150	2.7
287.19849	1.6
299.23517	1.5
301.21814	2.0
301.25171	14.4
303.23233	1.4
317.24805	2.5
335.25775	15.9
359.25812	1.6
403.24539	1.2
421.25891	2.7
425.34607	1.3
435.27408	2.6
435.32693	5.9
449.28757	1.1
453.33426	11.2
461.28494	1.4
471.34656	8.6
509.36060	3.1
527.37274	53.9
545.38281	100.0
546.38910	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05500	4.3
57.03438	2.6
57.07053	1.3
62.06067	0.8
67.05496	5.9
69.03370	0.4
69.07052	6.4
71.04977	1.5
71.08624	4.7
71.14265	1.0
78.92808	0.4
79.05479	4.4
81.07044	11.0
83.04955	0.8
83.08607	2.8
85.06506	1.1
91.05463	3.3
93.07031	6.2
95.04952	0.9
95.08588	9.1
97.06528	2.4
97.10131	1.2
98.98460	2.8
99.08060	2.6
105.07020	5.9
107.08572	7.5
109.06485	6.0
109.10142	3.6
111.08035	1.4
117.07033	0.9
119.08559	8.4
121.06486	0.8
121.10130	4.9
123.08046	13.5
123.11669	1.7
125.09628	1.5
129.06970	0.6
131.08507	2.4
133.10118	6.5
135.08032	6.9
135.11650	1.8
137.09573	1.7
137.13213	0.5
143.08545	0.7
145.10074	2.9
146.21973	0.4
147.11676	4.6
149.09663	1.8
149.13255	2.4
157.10127	0.9
159.11678	2.7
161.09558	0.9
161.13219	1.1
163.11154	0.6
163.14804	0.6
165.12743	1.0
165.16467	0.5
167.14333	1.4
171.11696	0.6
173.13258	1.0
175.11156	0.5
175.14793	6.3
177.12711	3.2
177.16357	0.8
179.14284	20.5
180.14528	0.5
185.13272	0.7
186.46577	0.4
187.14812	0.7
189.12776	0.5
191.14287	0.7
193.12132	0.5
193.15892	1.5
198.05241	0.9
203.14325	0.4
205.15865	3.1
210.09010	0.6
215.17856	0.5
216.06326	1.6
231.15852	0.8
261.22202	0.5
263.20074	1.4
273.70139	0.4
275.20032	1.2
277.21622	0.4
289.21622	6.7
289.24875	0.4
293.21051	1.7
303.26926	1.9
313.25168	0.5
319.22565	1.1
331.26263	10.6
337.23654	1.1
347.25784	1.2
349.23480	0.8
349.27347	5.5
357.27676	0.5
361.27051	0.9
369.27420	0.8
374.30490	1.4
375.28922	2.1
387.28821	5.3
388.29437	0.4
405.29929	100.0
406.30292	1.7
485.26636	1.3
503.27634	5.0
528.37524	0.8
546.31604	1.6
546.38879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05506	5.2
57.03422	2.0
61.02906	1.6
64.14110	0.7
67.05162	1.1
67.05498	10.9
69.03413	1.3
69.07066	6.5
71.04987	1.2
71.62151	1.2
79.05485	7.5
81.03432	1.3
81.07046	14.4
83.04969	5.2
83.08604	2.5
85.02890	3.1
85.06520	1.0
91.03947	1.0
91.05470	9.2
93.07033	12.8
95.04964	4.4
95.08596	9.8
97.02879	1.8
97.06504	2.6
97.10175	1.7
97.17606	0.7
98.21305	0.9
105.07018	13.4
107.04953	3.9
107.08582	8.9
109.02822	0.9
109.06517	5.8
109.10130	3.7
116.67944	0.7
117.07008	4.3
118.07197	0.8
118.76623	0.7
119.08553	8.1
121.06489	7.1
121.10115	5.7
123.04403	7.3
123.08053	3.2
123.11699	1.2
125.09647	0.9
127.03883	2.5
129.06981	2.2
131.08557	10.8
133.06493	1.8
133.09222	1.1
133.10129	11.1
135.08034	2.4
135.11694	3.0
137.09602	1.3
143.08562	2.1
145.06552	0.9
145.10094	7.8
147.08026	2.5
147.11658	8.9
149.09593	3.3
149.13277	2.8
151.11169	2.8
151.81241	0.8
152.63158	0.8
155.08502	1.4
157.10106	3.3
159.08067	1.9
159.11679	6.5
161.09607	2.7
161.13242	2.3
163.03824	1.0
163.11169	4.5
169.10040	1.3
171.11690	1.3
173.09561	1.7
173.13243	3.8
175.11136	2.1
175.14845	1.2
177.12685	1.9
179.14317	1.0
183.11682	2.0
187.11273	0.9
187.14754	1.2
191.14265	1.8
197.13264	1.3
201.12738	2.2
207.13808	1.4
215.18008	1.2
219.13759	2.8
229.19489	2.1
239.18024	2.1
247.20584	2.2
257.18973	7.1
275.20038	46.2
283.15225	0.9
293.21051	6.4
335.22021	1.1
349.23697	100.0
350.24268	1.3
363.12122	0.9
367.24756	28.7
381.19608	0.9
405.29892	2.4
419.24130	2.1
437.25589	3.8
530.32867	0.9
546.25452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2145
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
69.98668	0.6
69.99084	0.7
71.04979	0.3
79.05441	0.3
83.04993	0.2
85.02892	0.7
94.07790	0.3
96.50757	0.3
137.02263	0.2
159.04167	2.5
205.12242	0.3
303.05020	0.5
321.13309	0.3
322.49420	0.3
335.11090	1.5
350.13321	3.9
363.14450	0.3
377.01651	1.1
395.02863	1.1
401.10071	0.4
401.15518	0.6
431.33090	0.3
499.19498	0.3
547.21466	100.0
548.21753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15740	0.2
71.63512	0.3
85.02907	0.5
102.87621	0.2
127.03872	0.2
159.04155	2.7
167.07066	0.2
169.04633	0.2
182.78020	0.2
185.04221	0.3
189.05379	0.4
247.09584	0.2
259.98901	0.2
296.16064	0.2
321.13226	0.4
335.10907	1.6
349.12488	0.5
350.13330	4.6
351.14108	0.3
375.57446	0.2
377.01715	1.4
395.02817	0.6
401.15768	0.6
448.97205	0.3
547.21429	100.0
548.21857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16824	0.9
53.03935	2.4
55.05505	2.8
57.03180	1.0
57.03436	12.5
61.02921	1.7
67.05495	2.0
68.39871	1.0
69.03428	1.4
70.06583	1.5
71.04993	7.0
71.61282	1.5
73.76781	0.9
75.04482	2.8
77.03932	1.0
79.05488	1.6
81.03407	1.8
81.07059	1.5
83.04977	3.2
85.02891	11.6
86.09695	1.6
91.05483	3.6
91.45179	0.9
93.07037	1.3
95.04991	4.9
97.02889	2.1
98.37046	1.0
99.04451	9.7
103.03934	7.9
103.05489	1.3
105.07022	24.4
107.04957	4.0
107.08598	1.5
109.02876	6.6
109.06520	2.2
111.04434	1.0
116.98646	1.1
117.05498	19.6
117.07022	1.3
119.08576	2.2
121.06516	2.4
121.10170	1.7
123.04429	1.3
127.03909	10.6
128.06250	1.7
133.06482	61.1
133.10168	1.4
135.07971	1.1
137.02386	2.3
137.05968	100.0
143.08585	2.1
145.05104	1.1
145.06496	2.1
147.08098	1.8
149.09616	1.5
150.06775	1.4
151.07582	5.2
157.08589	3.8
159.08006	1.2
161.05972	2.4
161.09572	2.0
163.07523	7.8
165.09106	34.6
167.07112	1.6
171.08035	1.8
171.46950	1.0
173.05920	1.1
175.07542	12.1
175.11198	2.3
177.09100	9.1
179.07021	1.1
181.08578	3.5
182.09285	1.4
183.06563	1.3
183.10147	20.8
189.09084	4.9
193.08624	2.7
196.54739	1.0
198.37161	0.9
199.07510	1.3
201.07513	6.5
201.09152	1.1
203.10641	9.2
207.10201	1.8
209.11707	1.6
217.05061	1.2
219.08609	6.6
221.11708	10.1
225.11182	1.0
234.54155	1.0
239.12799	5.9
257.13831	92.4
258.14221	1.4
281.13776	15.8
287.05402	2.3
343.01318	1.4
347.15710	1.0
355.15338	2.1
361.02316	13.3
362.02771	1.2
365.15955	31.2
379.03369	5.4
383.16998	22.4
401.18118	1.9
415.03241	1.1
435.46976	1.0
471.95435	1.0
487.05356	4.4
493.20840	1.3
505.06250	1.1
547.20825	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	547.3277
Annotation	Methyl ganoderate G
Peak:m/z	Relative Intensity
53.03947	4.3
55.01859	3.6
55.05505	18.1
56.96550	4.7
57.03418	2.6
57.07066	3.1
65.24376	2.4
67.05494	28.0
68.99812	2.9
69.03421	7.2
69.07052	10.1
71.04984	9.4
71.61154	4.2
79.05484	22.8
79.05903	3.1
81.03413	12.4
81.07045	43.4
83.04969	6.6
83.08619	5.0
85.02888	10.4
91.05461	32.0
93.07034	36.2
95.04948	13.0
95.08594	37.0
96.98071	2.2
97.06528	5.7
97.10162	5.4
99.04445	7.4
99.08096	8.6
105.07018	42.3
107.04932	4.8
107.08588	40.7
109.06514	7.6
109.10145	18.6
111.04451	4.7
111.08061	2.8
113.06045	3.3
115.05493	3.3
117.07016	7.2
119.08569	72.5
119.09435	3.8
121.06519	6.1
121.10130	23.1
123.04408	7.0
123.08038	6.4
123.11710	7.6
125.05952	5.8
125.09605	2.6
127.03848	3.8
128.06235	3.0
129.05463	3.9
129.07014	9.3
130.07770	2.5
131.08543	37.8
133.06493	5.6
133.10109	39.7
135.07094	2.3
135.08076	9.2
135.11676	18.2
137.02371	4.8
137.05995	3.9
137.09604	3.2
139.03874	30.0
142.07791	7.9
143.08553	18.0
144.09201	2.6
145.06509	3.8
145.10103	56.4
147.04414	5.6
147.08009	3.8
147.11646	22.5
149.05933	2.4
149.09601	9.3
149.13222	15.2
151.07561	3.3
153.01872	15.1
155.08521	6.1
156.09355	6.7
157.04982	2.6
157.10115	29.0
158.10902	4.9
159.08060	7.2
159.11679	36.6
161.09604	8.5
161.13258	15.6
163.03879	6.9
163.07484	6.4
163.11183	7.5
163.14816	5.0
165.01859	8.1
165.09125	2.5
169.10132	9.3
170.10797	3.0
171.11670	20.9
172.12450	2.8
173.09595	6.5
173.13242	26.0
175.07526	3.9
175.11154	15.2
175.14854	11.0
177.09076	5.3
177.12772	4.8
183.11664	14.0
185.09612	2.6
185.13243	31.7
187.07574	2.9
187.13112	5.6
187.14799	95.6
189.05380	2.7
189.12755	7.3
189.16350	7.3
191.03299	3.8
191.10675	5.9
191.14162	2.8
193.12190	3.8
195.11682	4.5
197.13284	6.3
199.11157	3.7
199.14813	18.2
201.12732	8.8
201.16341	34.0
203.10643	4.1
203.14297	11.6
203.18076	3.0
205.04881	3.2
205.12215	8.2
207.13699	3.7
211.14832	5.8
213.12665	5.3
213.16261	12.9
215.03403	2.8
215.10919	2.5
215.14336	6.5
217.05031	3.2
217.12279	7.8
217.15799	3.2
219.13791	6.1
221.13303	2.5
227.17845	4.9
229.04916	2.9
229.12267	3.3
229.19370	3.1
231.13803	6.7
233.04565	3.2
233.11775	3.6
233.15338	6.8
235.14934	3.3
237.16418	3.2
239.17880	5.0
245.04514	4.5
245.15373	6.9
247.16962	2.7
249.14960	8.0
251.18025	3.0
259.17001	7.1
261.03934	5.6
261.15021	4.0
267.09100	3.6
269.10434	14.5
273.03943	4.8
285.03995	3.6
287.11661	9.1
289.03418	6.7
295.06064	4.4
301.03433	5.7
301.06689	3.1
313.03284	4.6
315.04922	10.1
317.03003	4.4
318.03821	4.2
319.04459	14.7
329.02896	8.0
343.04474	3.9
355.04456	6.9
363.26865	10.7
367.24765	3.3
369.05966	3.1
383.11206	14.4
387.26663	12.7
389.28326	5.7
401.12305	7.5
405.27863	68.4
407.29446	7.7
409.27335	9.7
415.26300	4.2
421.27356	3.9
423.28900	62.0
427.28461	4.0
429.12173	10.2
433.16721	3.7
433.27356	23.4
435.28796	4.3
441.30038	20.7
451.17938	3.0
451.28366	61.7
465.29764	5.7
467.13452	6.1
469.29611	18.0
471.13123	2.8
471.31036	4.9
479.27716	3.7
483.15903	7.8
483.31024	3.3
487.30405	10.2
493.14743	4.6
497.28793	4.7
511.15747	75.3
512.16058	6.9
529.16986	100.0
530.17114	10.5
547.17285	5.8
547.31390	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	547.399
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03934	3.1
55.01849	2.6
55.05505	23.2
57.03432	13.9
57.07066	4.1
63.77466	1.3
64.68873	1.3
65.03914	4.5
65.87035	1.3
67.05498	87.4
67.07173	1.6
69.07059	21.8
69.58003	1.4
70.22515	6.6
71.04971	5.1
72.99045	1.4
73.26936	1.7
79.05048	2.8
79.05484	40.8
81.03409	3.7
81.07047	100.0
83.04971	6.5
83.08607	15.1
85.06522	6.2
86.57449	1.7
91.05472	34.1
93.07034	69.5
94.53674	1.7
95.04966	5.5
95.08595	58.0
97.06497	8.4
97.10159	6.0
99.08076	3.6
105.04519	2.1
105.07020	27.5
107.04965	1.4
107.08584	39.1
109.06499	2.6
109.10136	30.0
111.08073	4.7
117.07011	11.9
119.08569	26.8
121.06480	2.2
121.10133	26.9
123.08076	1.5
123.11671	14.3
125.09597	2.7
129.07008	4.8
131.08559	22.9
133.10118	21.0
135.08043	2.5
135.11665	17.7
137.13222	2.9
143.08551	4.9
145.10095	14.6
147.11687	16.8
149.09547	3.1
149.13231	22.3
157.10097	6.6
159.11681	18.7
161.13223	7.0
163.11185	1.8
163.14786	5.5
165.12651	2.1
171.11693	5.9
173.11823	3.0
173.13249	10.8
175.14842	3.8
177.12756	4.9
183.11646	3.0
185.13223	5.2
187.14807	6.4
192.16261	1.7
195.13824	9.7
197.13306	2.5
199.14781	3.4
201.16393	2.6
217.15823	1.6
227.12776	2.2
229.14319	5.0
232.15567	1.5
238.03694	1.9
243.20912	3.0
261.22116	17.9
267.15927	4.0
269.17432	36.6
287.23700	3.6
299.23633	2.5
301.25159	4.7
317.24786	2.4
323.47110	1.6
329.24756	2.1
333.24167	1.9
335.25790	26.2
375.28952	2.2
419.32986	2.8
437.34128	9.4
455.35245	9.4
473.36017	9.0
475.34012	2.6
503.37021	5.3
511.37988	4.5
529.38843	84.8
547.40045	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08543	0.1
55.05501	0.4
56.05034	0.6
56.96563	0.1
57.03408	0.2
58.06608	0.5
59.07384	0.2
60.08155	6.6
60.08464	0.4
64.08199	0.1
67.05488	0.5
69.03423	0.2
69.07051	0.5
69.42435	0.3
69.42834	1.2
71.04993	0.1
71.07368	3.3
79.05470	0.5
81.03385	0.2
81.07051	0.9
82.07369	0.2
85.02858	0.2
86.09693	32.3
87.10036	0.1
91.05488	0.4
93.07030	0.4
95.08579	0.3
97.02895	0.1
97.06544	0.2
98.21397	0.3
98.98443	2.5
104.10732	4.2
105.07014	0.4
107.05003	0.1
107.08578	0.1
109.06516	0.2
109.10150	0.3
111.08160	0.1
111.48648	0.1
111.51337	0.1
117.06960	0.2
119.08571	0.4
121.10136	0.3
123.08099	0.2
124.99986	21.8
125.09669	0.1
133.10138	0.3
142.94499	0.1
143.01047	0.5
147.11739	0.2
163.01855	0.1
166.02687	0.2
184.07314	100.0
185.07695	0.5
221.64835	0.1
258.11060	0.4
267.16043	0.1
275.19730	0.2
276.20422	0.1
350.24188	0.4
368.25131	0.5
446.55948	0.2
530.28680	1.3
547.51788	0.1
548.29742	8.2
549.30286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
55.01855	0.7
55.05256	0.4
55.05504	4.6
57.03177	0.4
57.03430	4.6
57.07071	2.6
59.04984	0.3
60.08158	0.4
62.06070	0.7
65.03928	0.4
67.05163	0.4
67.05496	5.8
69.07062	6.7
69.07439	0.3
71.04971	1.1
71.07360	0.3
71.08629	3.1
71.14831	0.8
79.05480	2.8
81.07046	8.9
81.64800	0.2
83.04991	0.7
83.08601	4.2
85.06525	1.3
85.10177	0.4
86.09693	3.0
88.63984	0.2
91.05470	2.3
93.07031	7.0
95.04958	1.1
95.08592	10.2
97.06523	1.8
97.10146	1.8
98.21333	0.3
98.98464	2.9
99.08083	1.0
105.07034	2.7
107.08580	10.9
109.06503	4.8
109.10141	4.7
111.08064	2.0
111.11715	0.3
117.06992	0.5
119.08564	4.1
121.06483	0.3
121.09300	0.5
121.10135	7.3
123.08053	11.7
123.11672	1.7
124.99983	1.9
125.09633	0.6
131.08568	0.9
133.10126	2.4
135.08060	0.8
135.11662	3.0
137.09621	1.1
137.13220	0.9
143.08517	0.3
145.10077	1.5
147.11652	1.2
149.09648	0.6
149.13239	2.9
151.11171	0.4
151.14760	0.4
159.11670	1.0
161.13235	1.1
163.11153	0.4
163.14827	1.3
165.12729	0.9
165.16347	0.3
167.14296	2.6
171.11723	0.4
173.02061	0.4
173.13231	0.3
175.14825	0.7
177.12788	0.4
177.16370	3.9
179.14291	15.7
181.15865	0.4
184.07326	9.7
186.06174	0.3
189.16290	0.4
191.17944	0.4
193.15950	0.8
198.05290	0.5
205.15865	0.5
216.06270	1.3
231.15778	0.6
235.20609	0.4
249.22075	0.3
250.72643	0.2
263.20074	0.7
273.22073	0.3
277.21606	3.5
291.23169	1.2
293.21194	0.5
305.28372	0.8
315.26849	0.4
319.22525	0.3
333.27841	15.4
349.27310	0.7
351.28876	5.9
371.28995	1.3
376.32144	1.7
389.30563	2.3
407.31516	100.0
408.31879	0.6
436.22031	0.3
487.27933	1.1
505.29160	2.7
543.41119	0.3
548.38879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
55.05498	0.8
57.03414	1.4
63.62858	0.7
69.03411	2.6
69.49147	6.5
71.04972	1.3
72.08157	1.1
73.02926	0.7
81.03407	0.9
81.07037	1.1
85.02894	6.6
86.09659	0.8
91.05448	0.9
94.06540	1.0
95.08593	0.9
97.02856	1.3
97.06502	0.8
98.21481	1.6
99.04456	0.8
105.07020	1.6
107.08540	2.0
108.65115	0.8
109.06488	1.0
119.08570	1.4
123.08034	0.8
127.03891	1.2
133.06488	1.0
133.10088	0.9
137.05971	7.5
145.04881	1.5
145.10188	0.9
147.11647	0.8
149.09607	1.2
151.07538	1.3
151.11234	0.8
162.05550	1.1
163.11098	0.9
167.07036	1.9
177.12679	0.7
178.26976	0.8
179.03413	0.8
181.05035	1.5
197.10703	2.0
198.07684	0.8
198.11548	0.8
199.08624	9.5
207.13821	6.2
211.08641	10.5
211.12207	1.1
212.09329	3.9
213.06857	0.9
213.10208	12.0
214.07379	1.6
214.10948	3.5
225.06699	1.0
225.10191	13.6
225.14752	1.0
226.07358	13.0
226.10815	5.4
227.08139	16.0
227.11696	6.6
228.08900	0.9
237.10316	1.1
239.08099	1.1
239.11823	5.8
240.08955	2.8
240.12509	4.5
241.09711	15.5
241.12271	0.9
241.13342	1.7
242.10457	14.7
242.14229	1.0
251.07961	1.2
251.11812	0.7
252.09187	1.5
253.09682	9.3
254.10411	3.3
255.11261	8.6
257.12848	20.0
257.15546	1.0
265.09714	1.3
267.08450	0.9
267.11285	11.8
268.08545	2.2
268.12039	13.0
269.09171	2.4
269.12561	3.2
271.10965	1.2
273.12231	1.1
279.11212	1.2
280.12088	1.9
281.09201	2.2
283.10727	1.3
284.11569	1.6
285.09515	1.0
285.12274	5.3
286.09351	2.0
286.12997	2.4
295.10733	8.1
296.11499	13.2
297.12430	3.2
298.13226	1.2
299.10175	2.1
300.10898	1.3
303.04965	2.3
313.11780	35.6
314.12543	16.0
315.13397	1.0
323.10242	1.4
324.11047	1.1
341.11243	5.3
342.12073	61.4
343.12222	0.9
345.14633	1.2
355.12695	1.4
373.13934	6.9
374.14529	6.4
383.12268	1.2
387.14255	2.7
401.09842	2.9
411.11792	1.7
417.12817	1.2
429.13010	2.5
433.16147	1.6
443.14642	3.1
455.14490	1.3
457.12335	5.8
471.13916	5.5
473.15482	3.6
489.15024	33.7
499.13367	2.0
517.14484	100.0
518.15015	2.3
531.16119	1.7
549.17084	85.5
550.17554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04738	0.4
52.77497	0.4
55.01853	0.9
57.03425	1.5
67.05485	0.6
68.88404	0.4
69.03406	1.4
69.91735	0.9
69.92143	1.5
73.50385	0.4
79.05472	0.9
79.60441	0.4
79.65009	0.4
81.03403	0.5
81.07057	0.5
85.02893	3.3
91.05463	0.9
91.65047	0.4
93.07032	1.0
94.06554	0.8
95.04954	0.5
97.02880	1.0
98.21456	0.8
99.08109	0.5
105.07008	1.7
107.08586	1.6
109.02826	0.5
119.08569	0.8
123.08076	0.9
127.03898	0.9
131.08517	1.2
133.10104	2.8
135.08086	0.4
135.11635	0.7
137.05943	1.6
144.42258	0.4
144.95702	0.5
145.04971	0.6
146.05962	1.2
147.11638	1.2
148.07591	0.8
149.09610	0.5
151.11180	1.2
163.06227	0.6
163.11185	1.5
165.12793	1.0
168.06619	0.5
178.04982	0.5
184.11249	0.6
189.12740	1.6
191.14279	1.1
197.10753	2.4
198.07820	0.9
198.11551	1.4
199.08662	6.1
200.09373	0.4
201.10164	0.6
204.06635	0.5
207.13782	13.7
210.09109	0.6
211.08575	6.5
211.10257	0.5
211.12317	0.9
212.09335	3.4
213.06580	0.7
213.10185	6.8
214.07315	0.9
214.10934	2.2
216.78503	0.4
222.09152	0.8
224.09193	0.6
225.06767	0.6
225.10172	13.9
226.07372	7.7
226.10918	5.8
227.08168	9.3
227.11690	6.5
228.08749	0.4
237.10205	0.7
239.08147	1.1
239.11739	6.0
240.08919	1.4
240.12553	5.1
241.09694	12.4
241.13162	2.0
242.10463	9.0
242.14160	0.7
243.11209	0.6
249.10303	0.5
251.08084	0.7
251.11839	2.1
252.08798	0.7
253.09691	10.5
254.10464	2.8
255.11220	9.8
257.12814	25.6
259.10883	0.6
267.11261	11.0
268.08572	1.6
268.12021	11.7
269.09436	0.8
269.12833	3.1
270.09891	1.0
271.10849	1.7
273.12332	0.8
280.12012	2.3
281.09296	2.0
282.09906	0.5
283.10803	0.7
284.11481	2.6
285.12320	5.5
286.09637	1.0
286.13086	1.7
295.10745	8.8
296.08203	0.5
296.11523	10.8
297.12311	3.6
298.09772	0.6
298.13153	1.0
299.10272	1.2
300.10992	1.2
313.11783	41.8
314.12546	19.1
315.13394	1.7
323.10287	1.3
324.10989	1.0
327.13474	0.7
338.08676	0.6
341.11285	4.3
342.12067	29.5
343.12521	0.8
345.14142	0.6
345.65970	0.5
355.12933	0.9
356.13754	0.7
359.12671	0.6
373.13892	9.5
374.14542	5.8
383.12097	1.2
387.11642	0.5
395.19296	0.7
401.09705	1.5
401.13971	0.8
411.12106	0.8
411.19904	0.5
415.15439	0.7
417.13217	1.4
429.12863	2.4
433.16092	1.3
443.14639	5.7
455.14502	1.4
457.12421	1.7
461.15988	0.8
471.13882	4.8
473.15692	3.1
475.13239	0.8
489.15009	35.4
490.15182	0.9
499.13525	1.8
517.14471	42.4
531.16040	1.3
549.17096	100.0
550.17511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01864	3.7
55.05496	5.2
55.62543	0.6
57.03431	7.4
59.06108	2.4
60.49410	0.6
61.02899	8.3
65.70802	0.7
67.05496	4.2
69.03425	18.2
69.07048	3.0
69.38535	6.4
70.06590	1.3
71.01296	0.7
71.04975	2.6
72.08121	0.8
73.02908	2.4
79.05487	6.8
79.68408	0.6
81.03410	8.3
81.07047	9.2
83.04978	0.9
83.08592	0.9
85.02895	62.0
85.06509	1.9
85.07648	4.2
87.04449	2.2
91.03935	3.1
91.05471	11.8
91.06015	1.4
93.07034	8.4
95.04971	3.5
95.08586	5.3
97.02881	22.1
97.06513	2.0
97.07616	1.5
98.21461	1.3
99.04456	4.5
100.11233	0.7
103.05453	0.9
105.07019	50.1
107.04929	1.8
107.08586	10.9
109.02876	8.0
109.06501	5.5
109.10143	3.7
110.03643	0.8
111.04460	0.9
111.08071	1.0
115.03900	0.9
115.05413	1.0
117.06992	3.9
119.08569	45.0
120.08077	1.0
121.06483	3.8
121.10123	4.6
122.03658	1.0
123.08059	12.9
123.11681	1.6
125.09550	0.8
127.03899	18.2
131.08546	3.1
132.09348	1.2
133.10155	5.2
135.08037	11.8
135.11673	1.6
137.02376	1.7
137.05977	18.1
137.09586	2.6
137.13220	0.7
142.42293	0.7
143.04855	0.9
145.04945	20.0
145.10071	4.2
147.04347	2.1
147.11670	81.1
148.11932	0.7
149.09595	8.7
151.03816	1.8
151.07510	1.2
151.11166	9.1
153.01813	2.3
156.09335	0.8
159.11649	1.4
161.09575	1.0
161.13251	3.3
163.06102	3.4
163.07372	0.8
163.11133	3.5
165.12735	72.9
167.07016	3.1
171.11647	1.8
173.05992	0.8
175.07570	1.2
177.12732	9.7
179.10698	0.9
179.14304	2.6
181.04970	3.3
181.12195	3.0
189.12772	4.1
191.14294	0.9
195.02867	1.5
195.13858	1.0
207.13783	100.0
209.15364	2.6
225.14842	32.4
227.08109	0.8
229.46581	0.7
237.14752	1.0
241.09712	0.8
248.84346	0.7
303.04968	3.4
313.11856	0.8
326.06467	1.2
327.05008	0.9
329.06378	0.8
333.17093	0.9
342.12073	0.8
344.07626	1.3
351.17892	2.3
352.08252	1.2
357.13358	1.4
369.11005	0.8
369.19080	10.8
370.09122	1.9
387.11755	2.8
387.19797	6.1
473.09332	0.7
517.14362	2.0
531.24133	1.8
549.18652	7.6
549.25354	15.5
549.37708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3416
Annotation	Quadrangularic acid F
Peak:m/z	Relative Intensity
53.03949	1.3
55.01848	1.4
55.05504	4.7
65.03918	1.6
66.20520	0.8
67.05494	7.1
69.03411	1.8
69.07052	3.6
69.48690	3.9
69.49122	3.7
71.01360	1.2
71.04965	0.8
79.05487	6.3
81.03414	0.9
81.07056	11.8
82.76165	0.8
83.04964	2.4
83.08595	2.8
85.02892	1.5
85.06496	1.2
86.09702	2.1
91.05466	8.3
93.07037	13.0
95.04952	2.2
95.08587	14.8
96.06626	0.8
97.02840	1.1
97.06496	2.4
97.10158	0.8
99.08083	2.5
104.10741	2.8
104.38978	0.8
105.07014	16.3
107.08579	20.2
109.06519	3.4
109.10133	9.6
111.08085	1.8
117.06998	3.9
119.08561	29.2
121.06470	1.6
121.10109	12.9
123.08085	2.5
123.11718	2.1
124.99973	1.2
125.05931	0.8
125.09599	1.1
127.03916	1.0
127.07520	1.2
128.06216	1.6
129.07013	3.7
131.08539	15.2
133.06441	0.9
133.10100	12.6
135.08046	4.6
135.11693	6.3
137.09598	2.1
139.07571	1.1
141.06961	1.1
142.07776	1.6
143.08549	8.4
144.09334	1.4
145.10104	23.8
147.08022	2.7
147.11671	10.4
149.05885	1.0
149.09570	1.3
149.13287	1.7
151.07541	2.0
151.11165	1.6
155.07008	2.7
155.08453	2.1
156.09328	3.7
157.08885	1.5
157.10109	12.7
158.10855	1.6
159.08092	1.0
159.11687	15.9
161.09622	1.6
161.13234	6.2
163.07549	2.5
163.11128	1.0
163.14818	1.6
168.09312	1.4
169.08635	1.7
169.10101	5.2
170.10907	1.8
171.10216	1.6
171.11641	11.3
173.09555	1.4
173.13263	12.0
175.11259	1.6
175.14787	7.7
177.09045	1.6
177.12785	1.2
181.10078	1.7
182.10986	0.9
183.11679	6.8
184.07356	4.0
185.13222	13.0
187.14796	18.1
189.12750	2.9
189.16373	3.2
191.14349	1.0
193.10051	1.1
195.11720	2.6
197.13266	5.6
199.11089	1.1
199.14801	16.3
201.12779	1.3
201.16351	7.5
203.10645	1.5
203.14255	7.4
203.17955	1.2
205.12303	1.2
205.15788	1.2
209.13248	3.4
211.14857	4.2
213.12770	1.6
213.16383	6.8
215.14322	3.0
217.12195	1.5
217.15874	1.9
219.11713	1.2
219.13759	2.1
221.13304	0.9
223.14813	2.8
225.16386	2.3
227.17973	2.8
231.13794	3.2
231.17497	1.2
233.15392	4.1
237.16464	1.2
239.17865	2.4
241.19522	1.8
245.15321	5.0
245.40341	0.9
247.17007	1.4
249.14696	4.9
249.74371	1.0
251.17984	1.2
257.15442	1.5
259.16867	1.4
261.14847	1.2
265.19427	1.3
277.19391	1.2
305.11133	1.2
309.25836	1.3
311.20145	1.2
323.19955	1.4
351.22913	1.0
353.25067	1.6
387.26697	1.1
389.28415	3.5
391.29868	3.2
399.26801	1.8
405.28262	1.4
407.29602	4.6
409.31067	1.0
417.27789	9.3
419.29407	1.9
419.85651	1.1
431.29376	1.8
435.28842	16.2
437.30563	1.3
445.27264	2.0
449.30316	9.9
453.29834	6.1
455.31519	100.0
456.31808	3.0
463.28433	7.7
465.30182	1.4
467.31467	1.6
469.29404	11.0
471.31137	2.4
477.29932	2.0
481.29477	6.0
495.31100	7.8
496.34177	7.6
499.30475	3.2
501.32031	10.0
513.31903	1.8
517.31372	3.5
549.29224	1.2
550.30573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3418
Annotation	Quadrangularic acid F
Peak:m/z	Relative Intensity
53.03933	2.7
55.01849	1.7
55.05504	8.4
56.96554	1.6
57.03410	2.7
57.07059	3.0
60.08956	1.5
65.03905	2.2
67.05493	11.2
67.64230	1.7
69.03403	5.0
69.07048	7.3
69.98721	3.4
69.99132	6.8
70.06557	1.5
71.04982	3.4
73.02891	1.6
76.91052	1.9
79.05474	12.7
81.03419	5.4
81.07043	22.6
83.04948	5.8
83.08601	5.8
85.02885	10.0
85.06538	2.1
86.09678	2.7
87.04432	1.9
91.05458	20.2
92.98268	1.6
93.07038	28.3
95.04946	6.5
95.08589	29.4
97.02871	4.6
97.06490	4.2
99.04457	2.1
99.08097	6.5
103.05433	3.8
105.07018	40.8
107.04931	2.3
107.08578	37.3
109.02856	3.4
109.06505	5.7
109.10143	16.8
111.08065	4.0
115.05472	2.4
117.07018	12.1
119.08566	68.6
121.06510	5.4
121.10140	23.0
123.04403	4.0
123.08038	4.8
123.11695	6.3
125.05975	2.5
127.03889	5.4
127.07584	1.9
128.06172	3.8
129.06976	7.4
131.08551	35.9
133.06473	2.9
133.10120	40.3
135.04431	1.9
135.08023	9.3
135.11678	16.5
137.05936	7.8
137.09624	4.8
139.03877	4.4
139.07483	3.0
141.05389	1.8
141.06976	4.0
142.07732	4.3
143.08539	17.7
144.09344	2.5
145.06471	3.0
145.10107	37.9
147.08031	10.6
147.11649	34.9
149.05968	2.6
149.09586	4.9
149.13240	6.3
151.07455	1.8
151.11174	2.0
153.05527	1.7
153.08871	2.0
155.07042	3.5
155.08562	4.8
156.09306	4.2
157.10098	23.2
158.10896	3.0
158.72899	1.8
159.07982	4.8
159.11670	31.5
161.05907	2.5
161.09604	11.6
161.13225	17.0
163.03920	2.7
163.07512	5.4
163.11136	4.3
163.14809	5.0
165.05475	2.4
165.06895	1.7
167.07016	5.1
168.09312	1.9
169.10104	7.6
170.10892	2.7
171.10216	3.1
171.11636	15.2
173.09731	4.0
173.13199	16.6
175.07489	3.7
175.11139	8.9
175.14810	11.5
177.12773	2.3
177.16467	3.0
179.08615	1.9
179.14244	2.1
181.04857	2.0
181.10023	2.4
182.10960	2.5
183.11673	12.7
185.09576	3.3
185.13196	22.4
187.11148	7.4
187.14790	47.6
189.09094	1.9
189.12737	20.5
189.16353	9.1
191.07030	2.3
191.14270	6.4
195.11754	4.8
197.13191	7.6
199.11171	2.7
199.14757	8.6
201.12737	4.9
201.16356	32.8
203.10661	16.2
203.14272	19.3
203.18007	4.6
205.12152	4.0
205.15892	4.7
207.11737	2.2
207.13683	2.3
209.13243	5.0
211.11104	2.3
211.14815	5.3
213.12749	2.7
213.16353	6.0
215.14317	5.5
215.17908	2.0
217.12241	7.2
217.15840	7.2
219.13751	3.3
219.17467	5.1
221.11661	4.9
225.12816	2.0
225.16371	8.0
227.14217	2.1
227.17911	4.3
229.12196	3.9
229.15880	3.2
231.13799	5.6
233.15273	3.4
235.13097	10.7
237.16350	4.4
239.17923	2.9
243.13699	4.0
245.15413	4.3
249.14774	6.9
251.12761	3.9
253.19576	2.7
259.19958	1.9
261.14703	3.8
263.16434	5.4
265.14218	3.4
277.19409	2.5
287.05484	10.2
340.29190	1.6
366.20847	2.0
371.26563	1.8
387.26917	3.0
389.28290	8.6
391.29770	6.9
399.26147	3.4
405.27921	5.2
407.29465	12.4
409.31216	2.4
417.27820	12.2
419.29425	3.0
423.28751	14.3
435.28952	22.7
437.30426	2.6
449.30685	9.9
451.28082	2.2
453.30005	22.0
455.31528	100.0
456.32236	2.1
463.28281	5.8
467.31244	6.8
469.29370	16.6
471.30850	7.3
481.29556	11.7
483.31683	1.9
495.30988	8.6
496.34088	5.0
499.30801	8.9
501.32364	10.3
513.32648	8.0
517.31189	5.6
549.20313	6.9
549.35474	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	549.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01865	1.2
55.05508	26.2
57.03426	6.8
57.07071	6.5
65.03904	1.7
67.05501	38.8
69.03405	3.2
69.07059	30.5
71.04980	3.9
71.08636	2.9
71.35396	2.3
73.42944	1.0
79.05482	24.2
81.03409	36.7
81.07047	44.4
83.04963	6.5
83.08613	29.2
85.02899	20.0
85.06551	2.0
85.10163	1.7
91.05472	21.1
93.07031	16.7
95.04963	13.7
95.08596	32.3
97.02866	1.5
97.06544	3.2
97.10152	13.2
105.07024	16.8
105.07664	1.7
107.04968	2.8
107.08574	13.3
109.06532	3.6
109.10146	18.2
111.04478	1.4
111.08081	7.5
111.11709	2.6
113.05973	1.6
113.09662	1.5
115.05454	1.1
116.67400	1.1
117.06970	1.9
119.08574	12.4
121.10128	12.4
123.08138	1.2
123.11728	6.1
129.07008	5.9
131.08537	6.2
133.06470	2.0
133.10133	10.6
135.11700	5.8
145.10147	2.1
147.08096	1.8
147.11725	7.0
149.09596	3.5
149.13231	2.2
151.11115	2.7
157.10091	7.6
163.14789	2.1
165.12714	1.9
175.11140	7.8
176.63824	1.0
184.07437	1.4
193.12219	27.8
211.13257	35.3
211.15225	2.1
253.14249	6.7
261.21924	1.4
262.02823	1.1
265.25290	5.5
267.15900	6.4
271.15302	2.4
335.25891	1.6
339.28979	4.7
457.36749	2.7
508.53928	1.4
513.36383	1.2
531.40912	5.3
549.41467	100.0
550.41687	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	550.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
55.49894	0.1
55.76704	0.1
56.05018	0.6
57.03426	0.1
58.06340	0.1
58.06592	0.3
58.61196	0.1
59.07384	0.2
60.08155	6.7
67.05485	0.4
69.03453	0.2
69.07047	0.4
70.06578	0.2
71.07362	3.0
71.08427	0.4
79.05467	0.2
81.07045	0.6
82.61363	0.1
85.02899	0.2
86.09693	30.7
91.05456	0.4
93.07044	0.4
95.08598	0.4
97.02859	0.2
98.98439	2.3
99.21571	0.2
104.10729	8.5
105.07029	0.3
107.08558	0.3
109.10197	0.1
115.03942	0.2
119.08588	0.3
121.10117	0.2
124.99987	20.9
131.72971	0.1
133.10103	0.2
143.01019	0.5
145.10150	0.1
147.11664	0.2
184.07315	100.0
196.38618	0.1
203.17923	0.1
258.11038	0.4
266.69128	0.1
278.00311	0.1
452.24191	0.5
478.14624	0.2
514.29315	0.1
532.30389	1.7
550.31348	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	550.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62924	0.1
52.00606	0.1
52.88811	0.1
55.05490	0.2
56.05023	0.6
58.06619	0.5
60.08154	5.9
67.05495	0.5
69.07076	0.2
70.06580	0.2
71.07368	2.3
71.62241	0.2
72.08160	0.1
79.05482	0.3
79.61439	0.1
81.07035	0.4
83.04967	0.2
86.09695	28.6
88.40459	0.1
91.05466	0.4
93.07024	0.4
95.04917	0.2
95.08586	0.2
98.98449	2.2
104.10735	3.2
105.07014	0.4
107.08546	0.2
116.99547	0.1
119.08541	0.3
121.45763	0.1
123.04401	0.2
124.99987	18.8
139.46533	0.1
143.01009	0.4
147.11806	0.1
184.07317	100.0
185.07642	0.2
258.10977	0.2
446.23087	0.6
464.17868	0.2
464.24066	3.2
516.30902	1.3
517.51410	0.1
532.30103	0.2
550.31818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.4
58.06622	0.5
60.08158	6.2
67.05485	0.3
69.07044	0.2
70.06586	0.3
70.96082	0.2
70.96411	0.2
71.07362	2.9
72.08144	0.2
72.15283	0.1
79.05489	0.4
79.25419	0.1
79.37020	0.1
81.07035	0.4
83.04967	0.2
83.08615	0.1
84.24724	0.1
86.09696	30.5
91.05460	0.3
91.06321	0.1
93.07014	0.3
95.04990	0.2
95.08601	0.2
98.98450	2.4
104.10732	3.8
105.07015	0.2
107.08582	0.3
117.06973	0.2
119.08564	0.2
123.04474	0.2
124.04779	0.2
124.99992	20.4
133.10095	0.1
135.00417	0.1
143.01024	0.4
147.11697	0.2
175.11255	0.1
184.07320	100.0
185.07610	0.2
245.57291	0.1
256.50482	0.1
258.10995	0.2
259.14847	0.1
307.15359	0.2
446.22931	0.4
464.24121	2.7
516.30890	1.2
532.30096	0.3
550.31543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.4
58.06347	0.2
58.06620	0.4
59.07378	0.2
60.08154	5.9
67.05478	0.4
69.07061	0.2
69.38205	0.1
70.06577	0.1
70.74360	0.4
71.07364	2.7
79.05462	0.2
81.07052	0.4
86.09692	28.1
91.05456	0.3
93.07036	0.3
98.69140	0.1
98.98450	2.4
104.10732	3.6
105.07003	0.2
107.08560	0.1
116.99468	0.2
117.64088	0.1
119.08580	0.2
121.10148	0.2
124.99987	18.0
128.12610	0.1
131.08495	0.1
143.01039	0.4
184.07314	100.0
185.07715	0.2
258.11017	0.3
396.62912	0.1
438.22449	0.1
452.24127	0.6
532.30170	1.4
550.22729	0.2
550.31342	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77737	0.1
53.27026	0.1
55.01866	0.1
55.05497	0.3
56.05024	0.4
58.06627	0.4
60.08155	6.1
64.23122	0.1
67.05487	0.4
69.03412	0.2
69.07056	0.3
70.06580	0.2
71.07368	2.8
71.08424	0.3
73.02906	0.1
79.05479	0.3
81.07034	0.7
85.02916	0.1
86.09695	30.4
91.05471	0.3
93.07037	0.4
94.30197	0.1
95.08603	0.3
97.02876	0.2
98.98449	2.8
104.10027	0.3
104.10732	4.9
105.06995	0.4
107.08589	0.4
109.10136	0.4
115.13091	0.2
116.99466	0.2
119.08555	0.5
124.99989	20.3
133.04941	0.2
133.10101	0.2
135.11626	0.3
143.01036	0.4
147.11674	0.3
184.07317	100.0
185.07732	0.2
203.17839	0.3
221.18980	0.5
258.10941	0.4
265.38443	0.2
349.60236	0.2
434.23172	0.2
438.22513	0.1
452.23981	0.7
514.29364	0.2
532.30267	1.9
550.31403	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	550.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05496	14.2
57.03431	18.9
57.07060	2.7
58.45330	2.9
59.05000	3.3
61.02919	3.6
67.05505	27.1
69.03423	69.6
69.07042	12.3
69.54791	20.2
70.06579	3.2
75.04526	2.7
79.05477	15.3
81.03388	5.5
81.07051	61.9
83.08574	4.3
85.02898	53.6
86.09692	20.2
87.04454	40.8
91.05476	22.4
93.07034	39.6
95.04950	10.0
95.08598	67.1
97.02882	49.7
97.06510	6.8
98.21497	2.9
99.04437	5.0
103.05447	2.5
104.10733	4.8
105.07014	65.1
107.08582	62.2
109.02858	3.5
109.06483	8.2
109.10146	48.2
115.03917	64.3
117.16750	2.6
119.08580	51.6
121.06599	3.6
121.10130	30.2
123.08102	3.3
123.11691	15.9
124.99966	11.4
127.03876	11.8
131.08551	8.1
133.04944	58.1
133.10117	36.7
134.80594	2.7
135.07993	7.4
135.11700	18.3
139.03915	4.5
140.45578	2.6
143.08405	3.8
145.04974	9.3
145.10106	11.9
147.11671	50.4
149.09604	6.0
149.13248	6.4
151.07510	3.9
157.10019	4.3
159.11691	8.2
161.09599	3.1
161.13231	20.1
163.14778	10.1
165.12776	5.0
171.11659	3.7
173.13210	7.3
175.14835	9.3
177.16237	3.2
183.11662	3.5
184.07309	50.4
185.13388	3.1
187.14790	3.7
189.16368	7.5
191.14275	4.4
201.16379	6.0
203.17928	100.0
209.15318	7.3
213.16321	5.2
221.18967	10.9
245.18958	3.2
259.54651	3.0
277.09409	3.3
295.10144	4.6
299.19885	2.9
317.21124	6.5
335.22079	4.1
365.05276	3.5
498.53726	2.9
511.22107	2.8
550.31329	6.3
550.39490	3.2
578.46301	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
61.02931	0.6
67.05524	0.8
69.03415	1.1
69.38114	2.6
69.38544	3.4
70.06580	4.4
77.65585	0.6
79.05477	0.8
81.07055	0.9
85.02920	2.9
93.07043	1.5
94.06564	2.2
95.08585	0.8
97.02892	1.3
99.04477	0.8
105.07032	2.3
107.08617	0.9
109.06481	0.6
117.06996	0.8
119.08585	2.4
121.06508	0.9
121.10123	1.3
123.08044	0.6
131.04919	0.8
131.08588	1.4
133.10135	2.1
135.08005	0.6
135.11732	0.9
137.06010	1.7
138.05443	0.6
145.10129	1.6
147.08035	0.7
147.11703	1.2
147.61136	0.6
148.07599	1.0
149.13269	0.6
153.01817	1.3
159.11740	1.4
160.03975	0.8
161.05975	0.9
161.09651	1.0
161.13245	0.9
162.05438	0.8
171.11700	1.2
173.13205	1.1
174.05537	1.1
175.11256	0.9
181.72310	0.6
182.09615	0.6
183.11714	0.7
187.11188	0.7
189.12758	2.0
191.14355	0.7
197.10724	1.6
197.13397	1.1
198.07774	1.0
198.11499	0.9
199.08682	3.8
199.12424	0.7
199.14812	0.7
201.12706	0.8
204.06563	0.7
207.13840	1.0
210.09215	1.0
211.08592	6.2
212.09315	3.3
213.10254	7.3
214.07378	1.3
214.10907	0.7
215.14386	1.8
224.10841	1.2
225.10207	12.8
226.07336	5.2
226.10919	4.7
227.08183	6.3
227.11711	6.2
237.10266	1.2
239.08197	1.1
239.11821	3.6
240.08972	1.9
240.12540	5.8
241.09735	8.7
241.13461	2.1
242.10468	5.2
245.12875	1.2
251.11884	1.2
253.09706	7.5
254.10332	3.1
255.11266	9.3
257.12817	15.9
265.09750	1.7
267.11218	7.5
268.08841	1.0
268.12024	11.9
269.09436	1.3
269.12817	2.7
271.10797	2.5
273.12369	1.0
279.11261	0.7
280.12015	1.5
281.09219	1.9
283.10565	1.2
285.09488	0.8
285.12277	4.0
286.13025	1.3
287.14050	1.1
293.09686	0.6
295.10794	6.5
296.11539	8.5
297.12085	4.0
298.09421	0.8
299.10345	1.2
300.11215	1.4
301.11697	0.9
307.10843	0.6
313.11813	18.3
314.12524	12.7
315.13312	1.3
323.10178	0.9
324.11017	0.8
335.14429	0.6
341.11346	1.9
342.12070	9.2
343.12668	1.4
355.12881	2.3
373.13828	3.0
374.14066	2.8
379.12833	1.2
388.23349	1.6
389.13373	2.2
389.23642	6.2
403.10739	3.9
403.15826	1.2
409.13687	1.2
412.78683	0.6
417.16537	2.3
419.14569	1.1
420.16141	0.7
427.14932	1.9
431.14618	1.2
435.17966	1.1
445.16141	12.7
455.14709	1.1
457.16092	1.5
463.17465	2.9
467.27930	1.7
473.15536	12.5
475.16901	3.7
477.15378	1.1
483.19852	0.7
485.29068	0.8
491.16550	45.4
492.17032	1.4
497.28949	0.8
501.15356	3.6
501.21542	0.8
519.16089	51.0
520.16583	1.8
533.17432	2.0
551.18713	100.0
551.28229	5.0
552.18988	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2116
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
51.02360	0.4
53.03926	1.4
53.58046	0.4
55.01863	4.8
57.03418	1.0
61.02906	1.9
64.17272	0.4
65.03922	1.2
67.05482	1.3
69.03420	6.0
69.58994	0.4
70.06550	0.6
71.01331	0.4
71.04977	0.8
71.61478	0.4
71.61864	0.9
73.02905	0.8
78.04704	1.2
79.05482	2.6
81.03396	2.5
81.07040	1.6
85.02415	0.7
85.02894	11.1
85.06516	0.6
87.04439	1.2
87.65442	0.4
89.03889	1.3
91.05463	4.3
93.07047	2.2
94.04162	0.9
95.04973	3.9
95.08594	1.0
97.02901	3.9
97.06513	0.7
99.04424	1.1
103.05451	7.3
105.04527	0.5
105.07019	2.8
106.04188	0.5
107.04939	6.8
107.08588	0.9
109.02855	1.5
109.06476	1.1
109.10106	1.0
110.03645	0.8
111.04430	0.8
115.05423	1.5
117.03347	0.6
117.06996	1.3
119.04900	0.7
119.08560	1.5
121.02966	0.5
121.06503	4.5
121.10145	1.0
122.03609	2.7
123.04417	4.7
123.08039	0.5
124.05183	1.3
125.05964	1.4
127.03915	2.4
127.15856	0.4
128.06204	2.8
129.06987	11.1
130.04169	0.5
131.03992	0.8
131.04918	9.0
131.08542	2.6
133.06474	1.6
133.10089	1.0
134.03601	0.7
135.04388	1.6
135.08015	0.5
137.05959	26.6
138.03099	0.6
140.04683	1.0
141.06964	0.9
142.02638	0.6
143.04913	0.5
143.08517	1.1
144.05727	0.5
145.02800	0.5
145.04955	1.1
145.06461	1.8
145.10086	1.0
146.03561	0.5
146.07230	0.5
147.04417	2.0
147.08005	0.5
147.11656	0.5
149.05954	10.8
149.09624	0.6
151.03885	1.5
151.07523	4.9
152.04674	1.1
153.05444	0.7
155.07027	1.1
157.06473	12.0
157.10162	0.5
158.07301	1.1
159.04424	1.2
159.07994	2.6
159.11658	0.6
160.05106	0.7
160.22685	0.4
161.05983	5.6
161.09583	0.9
162.06743	1.0
163.03825	2.2
163.07498	6.9
165.05469	1.2
165.09171	0.6
167.07024	52.0
169.10040	0.5
171.06505	1.3
171.07881	0.4
171.11693	0.8
172.05293	0.5
173.05940	0.9
173.13245	0.6
174.06755	4.2
175.04001	0.5
175.07538	3.8
175.11176	0.4
177.05446	22.3
177.08942	0.9
178.06035	0.4
179.07019	0.7
181.04924	15.4
181.06499	0.8
181.08481	1.2
183.06567	0.6
185.05960	3.3
187.07527	1.9
189.07356	0.7
189.09081	13.2
190.07745	0.6
191.07027	1.5
191.08620	0.5
191.10626	1.3
191.14192	0.4
193.08586	1.4
199.07553	1.3
199.14703	0.4
201.09059	1.1
202.07774	0.5
203.06902	0.6
203.08612	0.7
203.10577	0.5
205.08583	0.7
209.08040	4.0
215.08516	1.2
217.08569	7.5
218.07257	1.8
219.06157	0.5
219.08078	1.1
219.10164	2.3
221.07950	0.6
231.08054	1.3
232.08591	0.5
233.09621	2.3
235.07524	1.2
246.06778	1.2
247.07442	2.0
248.08298	0.7
249.09116	1.5
250.09859	0.4
260.08258	0.6
261.09091	4.4
262.09821	0.7
263.06979	1.2
263.10696	0.5
264.07587	0.6
265.08536	0.8
275.07050	0.9
277.08521	2.3
278.09375	1.9
279.10144	0.7
281.11679	0.5
289.08578	1.5
291.10458	0.5
293.08572	0.6
293.11658	2.5
294.08630	0.5
303.04996	2.6
303.10110	0.7
306.08728	0.7
307.09579	2.3
309.11246	0.8
311.12704	0.6
313.10895	0.5
321.11157	4.5
322.12000	1.2
339.12439	2.5
341.13641	0.8
353.13702	2.6
355.15247	0.8
359.14954	2.3
371.14844	100.0
372.15152	1.6
373.16428	0.6
387.10669	0.4
389.15683	1.8
494.55518	0.5
551.20966	4.4
551.31860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01862	5.2
57.03429	1.3
61.02910	1.6
65.03938	1.0
67.05486	1.6
69.03420	6.0
69.07065	0.7
70.06585	1.6
71.04964	1.1
71.28642	1.5
72.08106	0.8
73.02893	1.0
77.03892	0.7
78.04681	0.9
79.05492	3.7
81.03417	3.5
81.07036	2.9
85.02898	8.5
85.06480	0.7
86.09682	1.1
87.04453	1.2
91.05475	5.1
93.07028	3.4
94.04159	0.9
95.04955	3.1
95.08586	1.3
97.02895	4.1
97.03420	0.8
97.06500	1.2
98.21327	0.9
99.04433	1.5
103.05465	6.3
105.07005	4.3
107.04949	5.6
107.08577	2.6
107.27059	0.7
109.02869	1.9
109.06506	1.5
109.10162	1.3
111.04422	1.3
111.08031	0.8
115.05437	1.5
117.03368	0.8
117.06992	2.5
119.04930	1.2
119.08549	3.4
120.08028	0.8
121.02911	0.8
121.06500	4.5
121.10129	1.8
122.03616	2.3
123.04438	4.1
123.08073	0.8
124.05268	1.0
125.05956	1.3
127.03876	2.4
128.06204	2.2
129.06995	10.5
131.04915	7.1
131.08511	3.4
133.02832	0.8
133.06483	3.2
133.10112	1.8
135.04381	1.3
135.08041	1.3
135.11711	1.0
137.02344	0.9
137.05960	26.5
137.07030	1.5
139.03848	1.4
141.07024	0.7
143.08519	1.7
145.04895	1.1
145.06493	2.5
145.10120	2.2
147.04390	2.8
149.05975	9.9
149.09625	0.8
151.03900	3.0
151.07535	5.1
152.04723	1.0
153.05434	2.5
155.07005	1.4
157.06497	10.3
157.10127	2.1
158.07248	0.8
159.04411	1.9
159.08063	2.0
159.11685	2.6
160.05342	0.7
161.05972	5.8
161.09544	1.4
162.06743	1.6
163.03891	2.7
163.07509	5.9
165.05536	1.3
167.07027	56.2
168.07234	0.8
169.10136	0.8
171.06496	1.4
171.08023	0.7
171.11635	1.9
173.05933	1.4
173.13231	1.5
174.06711	4.5
175.07558	4.8
175.11192	0.9
177.05447	20.9
179.07021	1.7
181.04955	12.3
181.08537	1.5
183.06465	1.6
183.11525	0.9
185.06010	2.7
185.13300	1.1
187.07579	2.4
187.11237	1.3
189.09087	10.2
191.07027	1.6
191.10648	2.9
193.08568	2.1
195.10062	0.7
199.07582	1.4
199.11118	0.8
201.09021	1.1
203.06931	0.8
205.08600	0.9
207.10037	1.1
209.08060	4.1
215.10674	1.0
217.06696	1.3
217.08511	6.5
218.07303	1.6
219.08241	1.2
219.10179	4.7
220.10478	0.8
221.08009	1.3
231.08089	1.1
231.13921	0.8
233.09700	1.1
233.11818	0.8
237.09271	1.0
247.07635	1.3
248.08400	1.1
249.09105	1.4
253.12201	0.8
257.07974	0.9
261.09122	3.8
263.06863	0.7
277.08612	1.6
278.09299	1.7
279.10065	0.9
291.06528	0.7
291.10086	1.0
293.11697	2.1
295.09558	0.8
303.04965	5.0
307.09586	2.4
313.10632	1.0
321.11255	3.9
327.12350	1.0
338.75620	0.8
339.12213	4.1
341.13834	0.9
353.13739	2.3
355.15295	1.2
359.14822	2.8
371.14865	100.0
372.15176	1.9
389.14948	2.3
405.11560	0.8
515.29913	1.5
521.20111	0.9
533.21564	1.1
551.20905	5.5
551.29956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.282
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05501	0.4
66.57457	0.2
67.05490	0.4
69.03398	0.3
69.07039	0.3
71.05019	0.2
71.63192	0.3
71.63616	0.3
81.03410	0.4
81.07038	0.7
83.04964	0.2
83.08606	0.3
85.02900	0.3
86.09690	0.8
91.05470	0.6
93.07037	0.5
95.04965	0.2
95.08588	0.6
104.10714	0.2
105.07025	0.5
107.08586	0.8
109.10194	0.2
119.08601	0.7
121.10118	0.6
125.00007	0.6
130.02846	0.2
131.08586	0.4
139.03943	0.3
145.10091	0.5
147.08020	0.3
157.10117	0.3
159.08055	0.3
184.07301	2.1
185.04259	0.3
185.07721	0.5
187.14851	0.5
191.17958	0.8
195.43564	0.3
215.14322	1.6
243.13716	0.4
259.07980	0.4
284.12708	0.3
285.10138	0.4
333.19208	0.5
389.22858	2.3
433.30963	0.7
551.28217	100.0
552.28772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.0
53.03918	4.5
55.05269	1.7
55.05500	11.9
57.07067	7.3
65.03931	3.5
67.05168	1.6
67.05494	26.8
69.07058	19.3
71.08619	1.6
71.29017	3.6
77.03922	1.7
79.05486	23.4
79.81538	1.5
79.93001	1.2
81.07046	39.2
83.08608	8.4
85.06532	1.9
89.56581	1.3
91.05466	41.3
93.07030	60.8
95.04966	7.8
95.08586	39.8
97.06459	1.6
103.05437	4.6
105.07014	72.3
107.08582	56.0
109.06465	4.1
109.10139	40.2
109.10901	1.6
115.05399	2.7
116.06207	1.9
117.07017	16.8
119.08563	100.0
121.10128	52.6
121.11007	2.5
123.08060	3.4
123.11707	13.7
124.28241	1.5
128.06206	8.6
128.84880	1.4
129.07011	10.7
130.07825	8.6
131.08553	31.1
132.09341	2.2
133.10107	53.9
135.11667	39.4
137.09583	4.3
139.11177	2.0
141.06950	5.2
142.07773	13.0
143.08531	25.1
144.09303	6.7
145.10098	64.7
147.11662	21.5
149.09610	2.9
149.13216	6.4
151.35480	1.2
151.89601	1.4
153.07033	1.5
154.82838	1.3
155.08553	9.8
156.09341	11.8
157.10117	36.3
158.10910	5.5
159.11671	37.0
161.13232	10.8
165.07024	3.4
167.08525	4.9
168.09262	4.6
169.10104	19.2
170.10854	5.2
171.11652	22.8
172.12486	2.9
172.24059	1.4
173.13261	22.7
175.14807	40.4
179.08495	6.2
180.09274	2.6
181.10072	9.0
182.10857	5.1
183.11665	16.4
184.12524	1.6
185.13248	14.4
187.14778	15.4
189.16324	3.1
192.09312	2.1
193.10075	6.5
194.10898	6.2
195.11668	12.1
196.12352	3.0
196.81195	1.3
197.13257	19.2
199.14804	8.2
201.16328	13.8
203.14238	1.6
205.10045	3.1
205.16019	1.5
206.10896	4.5
207.11626	7.7
208.12476	5.6
209.13239	15.0
210.13950	2.4
211.14796	15.3
213.16292	4.7
215.17909	1.7
219.11757	2.3
219.17365	4.9
220.12392	2.4
221.13171	9.7
222.13919	2.5
223.14787	11.6
225.16354	7.4
227.17903	1.9
231.11665	2.4
232.12555	2.1
233.13249	2.7
234.13878	2.2
235.14804	5.3
237.16335	5.4
239.17894	5.2
241.19473	3.5
245.13107	2.2
246.14125	1.7
247.14798	3.2
249.16470	3.9
251.17944	2.4
253.19502	5.3
255.20979	2.0
257.18903	3.1
259.20435	3.0
261.16360	2.3
263.17752	3.7
265.19452	4.8
267.21072	4.0
271.20590	2.2
273.16367	2.1
275.17853	2.6
277.19370	3.8
279.21014	3.4
283.20581	3.2
285.22098	4.2
289.19360	3.0
291.20868	1.8
323.23868	1.8
333.25858	2.3
337.25125	2.2
345.25635	3.6
349.25455	1.8
360.35358	1.9
361.24722	1.8
375.26932	2.2
397.28290	1.7
429.31134	3.1
430.31763	2.1
459.36023	3.0
471.36041	1.5
495.36188	3.2
533.41010	4.3
535.08612	1.5
551.42474	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.43
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67271	0.5
53.03931	1.5
53.19667	0.4
55.01866	0.9
55.05501	9.0
57.03424	4.2
57.07069	25.3
65.03925	0.9
67.05499	19.5
69.03419	1.3
69.07058	7.7
70.14928	0.4
70.23479	1.6
71.04990	2.9
71.08624	19.2
76.39028	0.4
79.05479	9.2
81.03409	28.5
81.07046	20.2
83.04971	4.6
83.08610	14.8
85.02893	13.4
85.06526	1.1
85.10172	10.4
91.05467	11.6
93.07033	7.1
95.04357	0.8
95.04961	10.4
95.08601	19.0
97.02901	1.3
97.06509	1.8
97.10165	7.0
98.20788	0.4
99.08171	0.5
105.06374	0.7
105.07026	9.4
107.04926	2.5
107.08583	3.5
108.10877	0.5
109.06512	2.2
109.10136	8.2
109.10818	0.3
111.04463	0.8
111.08083	4.7
111.11700	1.9
113.06001	1.3
113.13239	0.5
115.05433	0.6
119.04907	0.6
119.08566	8.0
121.06512	0.6
121.10135	5.2
123.08094	0.7
123.11694	3.9
124.89070	0.5
125.09612	0.5
129.06985	4.9
131.08556	3.7
133.06480	0.7
133.10138	4.3
137.09584	0.7
137.13234	1.3
142.07774	0.7
145.10103	0.8
147.08009	1.2
147.11665	5.2
149.09596	2.0
153.44398	0.5
157.10095	5.2
163.11198	0.5
165.12714	1.3
175.11171	5.9
193.12225	22.7
211.13272	32.1
239.28644	0.4
249.14900	0.7
249.25856	0.7
267.15854	5.9
267.26910	2.8
285.16937	0.5
323.83459	0.5
341.30481	5.6
376.78555	0.5
533.41809	3.6
551.43018	100.0
552.43201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.6
55.05512	8.8
55.90796	1.1
56.05032	6.0
57.36057	1.0
57.98776	1.2
58.99581	12.0
60.04517	1.4
61.21145	1.0
62.00679	1.4
67.05488	4.3
68.05018	4.9
69.03407	4.7
69.07045	1.7
70.02950	5.8
70.06572	4.3
70.81448	3.5
71.04951	1.8
72.04514	5.5
72.08139	1.1
73.02903	1.7
73.14491	1.1
74.00654	9.0
74.06074	1.5
76.02220	18.8
76.04015	6.0
79.05487	3.6
80.05008	7.8
81.03403	2.4
81.05782	3.5
81.07030	3.5
82.06544	3.4
83.04948	2.1
83.06094	6.4
83.08588	4.6
84.04501	47.9
84.08156	1.4
85.01124	38.3
85.02911	5.9
85.04008	2.6
85.06516	1.9
86.00648	29.2
86.99048	50.4
87.02683	2.1
88.02195	3.1
88.07619	3.1
91.05457	3.9
92.01676	1.3
93.07033	3.1
95.04960	1.7
95.08588	2.2
96.04492	2.8
97.01124	9.3
97.10163	5.7
98.00621	4.6
98.99046	1.6
99.01365	1.2
99.05548	3.0
99.08070	1.7
100.02204	6.4
102.03768	21.2
102.05532	14.3
105.07044	2.4
107.04955	1.9
107.08577	4.6
108.04457	2.2
109.07638	5.9
109.10139	2.2
110.06026	1.9
111.02650	1.2
112.02189	30.4
112.03931	4.7
113.00575	4.5
114.00095	2.7
114.03752	16.7
114.05515	2.9
116.01671	21.7
119.08567	3.6
121.10115	2.3
122.06026	1.5
124.02164	4.3
124.07565	1.9
125.00580	1.3
125.09607	5.0
126.03766	2.5
126.05584	1.5
127.03915	2.5
129.06578	5.4
129.26573	1.0
130.03227	13.9
130.04996	20.5
131.04462	2.0
131.08530	1.8
132.01141	2.6
133.10123	3.7
135.11629	1.7
137.05957	2.6
138.71199	1.1
140.01639	4.7
142.02087	1.7
142.03215	34.6
143.02727	34.1
143.04460	1.6
144.01120	5.8
145.05057	1.4
145.06090	3.5
152.01613	1.8
153.06567	2.7
155.08191	6.8
156.06555	3.4
158.02678	6.8
162.02242	9.4
166.08604	1.4
167.07021	2.2
168.04755	5.5
168.06287	1.1
169.04295	6.9
170.02689	5.0
171.02229	7.2
177.03329	8.9
179.04849	11.1
181.06055	4.5
185.03758	2.2
187.05359	1.4
188.03717	3.9
189.03273	100.0
193.12241	2.8
193.15903	2.2
196.04276	10.7
199.05403	3.4
199.07291	2.1
205.06404	17.2
209.15352	2.4
210.15735	1.6
211.07353	1.2
211.13312	4.2
215.04842	46.0
217.06410	4.9
219.10155	3.2
224.03731	5.0
227.04825	2.8
231.04373	3.0
232.04918	1.3
233.05905	21.1
241.06380	2.4
243.04295	1.5
245.05913	7.4
259.07571	3.1
266.12195	5.5
269.05838	1.8
284.13113	4.5
287.07034	15.8
299.06915	3.0
302.14261	1.7
308.09079	2.1
320.15295	6.2
334.10690	3.1
345.07556	3.4
362.10141	14.4
387.15704	3.8
405.16870	19.1
423.18121	7.7
459.32144	1.2
534.21130	4.5
552.14417	1.3
552.22375	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	552.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.6
55.05512	8.8
55.90796	1.1
56.05032	6.0
57.36057	1.0
57.98776	1.2
58.99581	12.0
60.04517	1.4
61.21145	1.0
62.00679	1.4
67.05488	4.3
68.05018	4.9
69.03407	4.7
69.07045	1.7
70.02950	5.8
70.06572	4.3
70.81448	3.5
71.04951	1.8
72.04514	5.5
72.08139	1.1
73.02903	1.7
73.14491	1.1
74.00654	9.0
74.06074	1.5
76.02220	18.8
76.04015	6.0
79.05487	3.6
80.05008	7.8
81.03403	2.4
81.05782	3.5
81.07030	3.5
82.06544	3.4
83.04948	2.1
83.06094	6.4
83.08588	4.6
84.04501	47.9
84.08156	1.4
85.01124	38.3
85.02911	5.9
85.04008	2.6
85.06516	1.9
86.00648	29.2
86.99048	50.4
87.02683	2.1
88.02195	3.1
88.07619	3.1
91.05457	3.9
92.01676	1.3
93.07033	3.1
95.04960	1.7
95.08588	2.2
96.04492	2.8
97.01124	9.3
97.10163	5.7
98.00621	4.6
98.99046	1.6
99.01365	1.2
99.05548	3.0
99.08070	1.7
100.02204	6.4
102.03768	21.2
102.05532	14.3
105.07044	2.4
107.04955	1.9
107.08577	4.6
108.04457	2.2
109.07638	5.9
109.10139	2.2
110.06026	1.9
111.02650	1.2
112.02189	30.4
112.03931	4.7
113.00575	4.5
114.00095	2.7
114.03752	16.7
114.05515	2.9
116.01671	21.7
119.08567	3.6
121.10115	2.3
122.06026	1.5
124.02164	4.3
124.07565	1.9
125.00580	1.3
125.09607	5.0
126.03766	2.5
126.05584	1.5
127.03915	2.5
129.06578	5.4
129.26573	1.0
130.03227	13.9
130.04996	20.5
131.04462	2.0
131.08530	1.8
132.01141	2.6
133.10123	3.7
135.11629	1.7
137.05957	2.6
138.71199	1.1
140.01639	4.7
142.02087	1.7
142.03215	34.6
143.02727	34.1
143.04460	1.6
144.01120	5.8
145.05057	1.4
145.06090	3.5
152.01613	1.8
153.06567	2.7
155.08191	6.8
156.06555	3.4
158.02678	6.8
162.02242	9.4
166.08604	1.4
167.07021	2.2
168.04755	5.5
168.06287	1.1
169.04295	6.9
170.02689	5.0
171.02229	7.2
177.03329	8.9
179.04849	11.1
181.06055	4.5
185.03758	2.2
187.05359	1.4
188.03717	3.9
189.03273	100.0
193.12241	2.8
193.15903	2.2
196.04276	10.7
199.05403	3.4
199.07291	2.1
205.06404	17.2
209.15352	2.4
210.15735	1.6
211.07353	1.2
211.13312	4.2
215.04842	46.0
217.06410	4.9
219.10155	3.2
224.03731	5.0
227.04825	2.8
231.04373	3.0
232.04918	1.3
233.05905	21.1
241.06380	2.4
243.04295	1.5
245.05913	7.4
259.07571	3.1
266.12195	5.5
269.05838	1.8
284.13113	4.5
287.07034	15.8
299.06915	3.0
302.14261	1.7
308.09079	2.1
320.15295	6.2
334.10690	3.1
345.07556	3.4
362.10141	14.4
387.15704	3.8
405.16870	19.1
423.18121	7.7
459.32144	1.2
534.21130	4.5
552.14417	1.3
552.22375	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	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.05023	0.5
58.06365	0.2
58.06628	0.5
60.08157	5.5
61.10535	0.2
64.91303	0.1
67.05499	0.3
70.08573	0.1
70.79803	0.1
71.07365	2.5
71.61774	0.2
71.62219	0.2
79.05463	0.3
81.07050	0.5
86.09695	27.4
91.05469	0.3
93.07034	0.2
95.08584	0.3
98.98447	2.3
104.10732	3.2
107.08600	0.2
119.08576	0.3
124.99989	17.6
134.78809	0.1
143.01016	0.6
184.07317	100.0
185.07631	0.4
198.60168	0.1
199.69688	0.1
204.84235	0.1
258.10907	0.3
446.22787	0.5
464.24081	2.2
500.31082	0.2
518.32343	2.3
534.31616	0.3
552.20343	0.3
552.28485	4.3
553.29077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.1
55.05497	0.2
56.05021	0.5
56.11782	0.1
57.03397	0.1
58.06624	0.5
60.08157	6.0
67.05482	0.3
67.77492	0.1
69.07069	0.1
70.90269	0.2
71.07362	2.7
71.07738	0.2
78.75764	0.1
79.05471	0.2
81.07043	0.3
83.04961	0.1
86.09695	31.4
87.10030	0.2
91.05456	0.2
93.07021	0.3
95.08610	0.2
98.98447	2.5
104.10732	4.2
105.07061	0.2
107.08542	0.2
109.10165	0.1
119.08608	0.2
121.55400	0.1
121.56302	0.1
124.99989	19.9
133.10077	0.1
139.03777	0.1
143.01047	0.4
150.89803	0.1
162.40926	0.1
184.07317	100.0
185.07715	0.4
201.82019	0.1
258.11026	0.1
452.24182	1.0
516.30951	0.1
534.31934	1.4
552.32928	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	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05021	0.5
58.06615	0.4
60.08155	5.8
65.03921	0.1
67.05485	0.5
69.07063	0.2
70.06585	0.1
70.68060	0.4
71.00077	0.1
71.07362	2.7
79.05486	0.3
81.07043	0.4
83.04969	0.1
86.09695	29.5
91.05455	0.2
93.07035	0.4
95.04966	0.3
95.08611	0.4
98.97834	0.2
98.98451	2.7
104.10732	4.2
105.07066	0.1
107.08580	0.4
107.14857	0.1
113.05978	0.3
121.10133	0.2
124.99990	20.5
131.00127	0.1
133.10091	0.2
143.01045	0.4
145.10117	0.2
159.11761	0.2
166.02573	0.1
177.85515	0.1
184.07318	100.0
185.07643	0.3
243.65794	0.1
258.11032	0.2
280.58313	0.1
293.13226	0.6
373.23639	0.3
391.24652	0.3
452.24054	0.9
516.30542	0.2
534.31873	2.5
552.32947	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	552.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
56.05031	0.5
57.03423	0.2
58.06610	0.5
59.07377	0.1
60.08155	6.7
67.05480	0.3
68.65086	0.1
69.03362	0.1
69.07069	0.1
69.52426	0.1
69.52761	0.7
70.06582	0.1
71.06966	0.2
71.07360	2.8
77.65272	0.1
79.05478	0.2
81.07034	0.4
83.04975	0.1
83.08595	0.1
85.02880	0.1
86.09692	31.6
87.09982	0.2
91.05466	0.2
93.07021	0.4
95.04971	0.1
95.08595	0.2
97.07072	0.1
98.98447	2.8
104.10728	4.8
105.07026	0.2
107.08575	0.2
109.10162	0.1
116.99467	0.1
119.08557	0.2
121.10136	0.2
122.93946	0.1
122.94856	0.1
124.99986	21.3
133.10139	0.1
135.11673	0.1
143.01021	0.5
148.58205	0.1
149.02396	0.1
155.14464	0.1
166.02643	0.1
184.07312	100.0
185.07703	0.6
187.14893	0.1
193.04929	0.1
221.17374	0.1
244.77419	0.1
257.13776	0.1
258.11035	0.3
429.11551	0.1
434.23132	0.1
452.23990	1.1
458.32245	0.1
516.30688	0.1
528.61261	0.1
534.31824	1.5
552.32904	5.6
553.33490	0.2
561.35492	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	553.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14974	0.5
55.05500	0.5
67.05508	1.0
69.03406	0.5
69.07056	0.6
71.61396	0.7
79.05495	0.9
81.07030	0.6
83.01069	0.7
91.05475	0.8
93.07060	0.8
95.01098	0.8
95.08608	0.6
97.02678	0.6
105.07037	0.6
107.08581	0.7
109.10135	0.6
119.08557	0.7
131.08501	0.4
133.10130	0.4
135.11713	0.6
139.03688	0.5
145.10107	0.5
147.11636	0.4
157.04745	0.6
168.16502	0.4
185.04202	1.5
201.03749	1.5
203.05283	1.6
259.07883	1.9
331.10001	2.4
359.12979	0.5
391.24396	0.7
415.19122	0.8
455.22250	0.7
483.21838	1.8
535.28870	0.5
553.29767	100.0
554.30206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53440	0.7
50.96675	0.6
53.03938	0.8
55.05487	2.3
56.96567	0.9
57.03427	7.5
59.04993	0.9
65.03929	1.2
67.05501	1.4
69.03415	3.2
69.07069	1.2
69.37064	0.8
70.06570	1.7
71.04986	51.7
71.61674	1.0
73.02900	3.0
73.84644	0.7
75.04478	4.4
75.59735	0.7
77.03898	0.8
79.05481	2.4
81.07039	2.1
83.04967	9.0
85.02895	73.7
86.06055	1.1
87.04458	2.6
91.05471	100.0
93.07023	2.1
95.04947	2.1
95.08580	1.2
96.79937	0.8
97.02886	7.9
98.20742	0.8
98.21344	0.9
99.04430	2.3
105.07010	4.5
107.04944	49.4
107.08599	2.4
109.02903	0.9
109.06506	1.1
109.10156	1.9
111.04453	5.4
117.05463	0.7
117.07043	2.0
119.04932	3.4
119.08591	1.2
119.26916	0.8
121.06489	3.3
121.10043	1.0
123.04382	2.3
123.46049	1.1
127.03896	4.0
129.05469	34.1
131.04938	1.9
131.08502	0.9
133.06439	2.1
133.10101	2.9
137.05951	2.3
139.03804	1.0
145.04933	2.1
145.06474	1.0
147.06503	16.1
149.05975	2.8
151.03810	1.0
151.07492	1.0
159.07983	1.0
161.05956	9.3
161.09587	1.9
163.11182	1.8
164.09189	0.9
165.07623	1.2
165.09067	1.0
167.06993	4.9
173.06047	1.1
175.07593	1.4
179.10641	2.4
187.07564	2.4
191.07112	1.0
199.07513	1.8
205.08525	1.8
217.08463	1.1
223.09625	4.6
229.08640	4.5
237.07516	1.0
253.10732	0.8
255.08443	1.5
273.09735	1.1
309.11804	1.9
321.24097	2.0
339.25421	2.1
345.13342	0.8
538.23065	0.9
554.25909	2.6
555.23950	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	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03925	0.9
53.04160	0.3
55.01847	0.5
55.05499	1.5
55.37548	0.4
57.03433	4.1
57.07054	0.4
58.46902	0.3
59.04987	0.4
59.35056	0.3
61.02890	0.4
62.63586	0.3
65.10961	0.3
67.05496	0.9
69.03426	1.3
69.07057	1.0
70.06573	0.3
70.27755	1.6
71.04989	26.5
73.02892	1.0
74.06071	0.4
75.04491	2.1
75.51462	0.3
77.03935	0.5
78.94460	0.4
79.05472	1.3
81.03401	0.9
81.07059	2.0
83.04971	4.3
83.08609	0.4
84.04490	0.5
85.02901	38.2
86.06064	0.5
87.04466	1.4
91.05471	1.1
93.07033	1.0
95.04955	1.7
95.08596	1.5
97.02897	1.8
97.10169	1.9
98.20854	0.4
99.04489	1.7
105.07021	1.3
107.04948	100.0
107.08584	0.9
108.05244	0.5
109.06502	0.4
109.10126	0.6
111.04442	2.6
111.08091	0.4
117.06984	0.4
119.04906	0.3
119.08626	0.7
121.06484	2.9
121.10152	0.9
123.04411	0.6
123.11703	0.4
125.09664	0.5
127.03907	1.8
129.05466	17.4
131.04904	0.5
133.06523	1.2
133.10114	0.6
135.04369	0.4
135.08006	0.4
135.11697	0.4
137.06017	0.9
137.09683	0.7
139.03865	0.4
143.08536	0.4
143.10667	0.4
145.04955	1.0
145.06483	1.7
145.10162	0.5
147.06519	7.6
147.11598	0.4
149.05956	2.9
159.11612	0.5
161.05951	1.9
161.09573	1.1
163.06085	0.6
163.07462	0.4
163.11200	0.5
164.09171	1.3
165.09187	0.4
167.07031	0.9
173.06001	0.7
175.07539	0.6
189.09119	0.7
191.07043	2.7
194.40788	0.4
199.07489	0.7
208.09706	0.5
217.08601	2.2
229.08575	4.2
235.09637	0.5
253.10762	1.6
255.08598	0.8
273.09784	0.5
309.11853	0.9
321.24298	1.6
339.25333	1.2
403.26205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22597	1.3
53.03931	1.8
55.01859	6.1
55.05510	19.3
57.03425	2.0
57.07060	1.8
65.03949	1.4
67.05499	20.6
69.03421	3.9
69.07059	4.9
70.62324	5.1
71.04980	2.8
79.05484	26.4
81.03410	14.5
81.07050	42.4
83.04984	7.5
83.08617	15.6
85.06532	1.7
91.05476	17.0
93.07033	16.8
95.04967	17.7
95.08606	8.4
97.06503	3.3
97.10170	15.2
105.07029	13.1
107.04932	5.3
107.08574	11.5
109.06496	7.3
109.10168	4.8
111.04406	7.3
111.08072	5.1
117.07011	11.0
119.08574	19.8
119.09359	2.2
121.06493	5.4
121.10129	9.7
123.08035	7.1
125.09618	12.1
128.06178	1.7
129.06984	8.5
131.08566	10.3
133.06503	3.3
133.10101	7.5
135.08044	5.1
135.11655	4.2
137.09605	2.7
143.08516	4.2
145.10118	10.8
147.08054	11.1
147.11650	5.3
149.09639	6.2
152.86542	1.4
153.09088	5.1
153.12779	2.7
157.10114	7.1
159.07942	1.4
159.11664	2.8
161.09601	5.0
163.11150	6.6
165.09126	4.4
171.10226	1.7
171.11633	3.2
173.09605	1.7
175.11198	4.9
181.12250	2.4
184.07347	2.1
185.13249	2.3
189.11205	13.4
191.10641	3.8
193.12212	14.8
209.11801	1.8
211.13268	29.4
211.15231	1.8
223.13319	4.7
227.12790	5.4
227.18039	2.3
245.19005	3.0
249.14774	2.5
255.17387	4.2
263.20126	1.3
273.18478	25.7
291.19510	100.0
309.20490	6.7
319.93362	1.4
330.45499	1.4
465.30032	3.1
483.30756	2.0
501.32349	2.0
555.37122	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.367
Annotation	Muscanone
Peak:m/z	Relative Intensity
51.02370	1.5
53.03933	8.5
55.01617	2.0
55.01865	23.4
55.05502	29.9
57.03412	3.8
57.07066	2.1
65.03925	4.7
65.28015	1.2
67.05492	69.1
69.03407	3.1
69.07057	36.5
71.01342	1.3
71.04977	4.9
71.64044	2.5
73.06542	1.6
77.03883	1.1
79.05481	71.7
81.03413	14.6
81.07044	70.1
83.04974	15.7
83.08611	10.5
85.06534	3.7
91.05466	82.7
93.07032	57.0
93.07518	1.1
95.01318	11.2
95.04955	29.6
95.08593	46.5
97.06517	44.6
97.10153	4.6
99.08052	1.4
103.05463	2.7
105.04527	2.2
105.07014	90.3
107.04937	26.1
107.08578	25.2
109.06503	10.3
109.10145	13.4
111.08078	4.4
115.05430	3.0
116.06232	1.9
117.07004	21.4
119.04941	1.5
119.08561	47.9
120.08858	1.2
121.06481	5.1
121.10124	11.1
123.04442	3.1
123.08041	10.3
123.11719	2.1
125.09634	3.0
128.06209	4.7
129.06972	15.1
130.07779	2.3
131.04857	1.4
131.08539	26.0
133.06500	1.7
133.10114	39.9
135.08041	4.8
135.11685	10.0
137.09596	3.3
139.07501	3.2
141.06924	3.6
142.07790	1.7
143.08557	9.8
145.06451	2.7
145.10104	21.8
147.08032	3.0
147.11667	28.5
149.09605	10.0
149.13254	3.1
151.11165	1.9
153.81982	1.5
155.08530	3.1
156.09317	1.8
157.10080	3.9
159.08041	1.3
159.11646	14.0
161.09570	3.4
161.13243	13.2
163.11125	6.3
165.09129	2.7
165.12657	1.6
169.10132	4.1
171.11671	16.2
172.11829	1.3
173.13170	6.3
175.14705	1.8
177.12746	3.5
179.14305	17.0
183.11670	4.6
185.13339	1.9
187.11172	2.9
187.14841	1.8
189.12709	5.7
193.12398	1.4
197.13176	3.9
205.12241	2.0
207.13728	10.3
211.14890	1.5
215.17896	1.5
225.14854	2.5
227.14676	1.5
229.19408	2.0
239.18019	3.0
241.14310	1.9
247.20549	3.8
257.19046	9.3
259.20508	4.0
263.16391	1.9
275.20023	100.0
276.20337	2.8
279.15945	7.3
293.21057	9.6
297.65924	1.1
331.22684	2.0
349.23822	3.6
445.30875	2.7
481.33441	1.8
527.37231	1.8
537.35455	4.4
555.28162	8.3
555.36688	79.7
556.36719	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	556.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.94169	0.1
55.01862	0.3
56.21159	0.1
57.03434	1.8
59.04987	0.3
60.04507	0.3
61.02903	0.2
62.67089	0.1
67.05506	0.2
69.03423	7.1
70.13861	0.9
71.04992	0.2
73.02917	0.4
75.04472	0.5
77.24562	0.1
78.13867	0.2
79.05476	2.0
81.03410	0.4
81.07047	0.4
85.02897	5.4
87.04461	4.9
91.05470	2.7
93.07024	0.2
95.04963	1.9
95.08595	0.2
97.02879	5.7
99.04445	0.2
105.04498	0.3
105.07024	0.5
107.04944	100.0
108.05284	0.3
109.06491	0.2
115.03914	7.4
117.07012	0.3
119.08550	0.2
121.02857	0.2
121.06499	1.4
123.04439	0.4
127.03891	0.5
133.04948	8.4
133.10243	0.2
135.29721	0.1
139.03918	0.3
145.04929	1.0
145.06454	0.6
145.10048	0.2
147.08096	0.3
148.07545	0.5
149.05948	0.3
150.07613	1.8
151.03918	1.1
157.06487	0.2
161.05992	0.4
163.03998	0.2
163.11180	0.2
167.07010	0.9
168.07428	0.4
173.06076	0.2
175.07478	0.3
179.10641	0.2
191.07024	0.3
203.06932	0.2
206.91100	0.2
214.98679	0.1
227.06985	1.4
241.07059	0.3
245.08060	9.9
259.08127	0.3
277.09302	0.2
344.15384	0.2
346.13663	0.2
365.39990	0.2
483.60266	0.2
495.03159	0.2
556.23029	0.2
556.29242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
53.03937	0.6
55.01852	0.3
57.03428	1.6
59.04992	0.4
60.04504	0.4
60.07512	0.1
61.02914	0.3
67.05486	0.2
69.03420	6.4
70.06580	0.2
71.63547	0.2
73.02897	0.5
75.04478	0.3
77.03898	0.2
79.05486	1.6
81.03399	0.4
81.07029	0.4
84.52444	0.1
85.02891	5.0
85.91285	0.2
87.04455	5.3
89.54139	0.2
91.05466	2.5
93.07006	0.3
95.04961	1.9
97.02876	6.1
97.03509	0.3
98.98439	0.4
99.04490	0.2
105.07029	0.3
106.28976	0.2
107.04939	100.0
108.05312	0.3
109.02864	0.3
109.10144	0.3
115.03912	7.5
117.07008	0.2
119.08582	0.3
121.06487	1.4
123.04442	0.3
127.03894	0.7
131.04886	0.2
133.04947	9.1
133.10126	0.3
139.03906	0.3
145.04936	0.7
145.06453	0.4
147.08064	0.4
148.07558	0.5
149.05904	0.4
150.07585	2.1
151.03877	0.9
163.05978	0.2
167.07019	1.0
168.07411	0.4
175.07553	0.3
191.07077	0.2
211.09486	0.2
216.14336	0.2
223.05928	0.2
227.07033	1.4
238.70743	0.2
245.08060	10.0
259.08188	0.4
267.68793	0.2
277.08997	0.3
400.75330	0.2
555.41980	0.2
556.24548	0.2
556.28601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.3
59.04986	1.1
59.69317	0.4
65.03935	1.1
69.03424	17.1
69.48025	3.9
75.04460	0.8
81.03405	0.7
85.02898	11.2
87.04460	12.8
91.05472	100.0
92.05841	0.6
97.02885	14.2
98.20959	1.7
99.04452	1.0
115.03268	0.3
115.03918	21.9
127.03917	1.8
133.04955	25.6
137.02243	0.5
145.04951	2.2
167.03412	1.1
169.04993	0.5
177.05501	0.5
190.11295	0.6
229.06979	0.5
245.08072	10.3
259.08197	1.2
277.09424	0.7
289.33087	0.5
295.10147	0.8
310.96463	0.5
453.48743	0.5
556.28058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79339	0.9
55.01859	2.0
56.96550	3.8
57.03420	2.4
58.99847	1.2
61.02918	1.6
69.03425	7.4
69.29935	3.0
69.30354	7.5
70.77552	0.8
71.04961	0.8
73.02912	3.1
77.00893	2.0
81.03400	2.9
82.99860	2.2
85.02903	15.2
94.99873	1.2
97.02876	9.6
98.03268	0.9
98.97570	6.9
99.04472	1.8
100.74986	0.9
101.00842	6.6
103.02449	1.7
105.00341	1.8
107.04978	0.9
109.01393	1.2
109.02877	2.8
110.97539	1.7
113.00838	2.4
115.02402	1.8
116.98610	7.8
119.01910	47.3
119.04930	1.1
120.87313	0.8
127.02351	2.1
127.03895	5.3
128.98584	4.3
131.00290	0.9
131.01904	21.1
133.03465	11.2
134.99644	4.6
135.04320	1.4
137.02948	10.7
139.02419	1.2
142.03465	2.6
143.01874	26.8
145.03496	27.6
145.04916	4.2
146.91844	1.0
146.99638	3.3
147.01340	2.7
147.04321	1.3
147.05142	1.0
149.01195	2.5
149.02908	7.0
150.05528	1.1
151.04529	7.6
153.00633	1.3
154.03471	1.2
155.01859	20.0
156.02040	1.0
156.03535	1.1
157.03442	15.6
158.99626	3.4
159.05020	10.5
160.01273	1.5
161.01280	2.7
161.02943	51.4
162.99200	1.1
163.03947	9.7
165.00731	0.9
167.01938	8.1
167.07034	1.1
168.05038	1.5
169.01888	1.7
169.03433	15.3
170.99622	2.8
171.05025	8.9
173.02950	46.6
175.00829	1.3
175.04507	12.3
177.00728	5.2
177.02458	3.7
177.06052	1.9
179.01920	3.4
179.03998	4.3
181.03410	2.6
182.99556	1.3
183.04944	2.5
184.04558	3.4
185.02940	71.5
186.03021	1.5
187.04498	40.4
189.00648	5.2
189.02429	7.0
189.04030	1.0
189.05984	4.2
190.02238	1.3
191.03920	5.9
192.05513	2.0
193.03520	1.7
195.01733	1.2
195.03468	2.0
196.04585	2.2
197.02946	25.0
199.04469	10.0
201.00679	5.2
201.02426	5.9
201.04182	1.6
201.06024	5.7
203.03993	71.1
204.04265	1.1
205.05539	1.6
206.00645	1.0
207.01732	1.0
207.03534	1.4
208.04544	3.3
209.02960	3.2
210.06100	2.5
211.02791	1.4
211.04533	10.2
213.02515	8.5
213.06076	2.5
215.00783	2.0
215.03987	24.8
217.05550	6.7
219.01610	5.6
219.03566	7.0
220.04617	1.7
221.02936	5.5
221.05058	12.0
222.06146	1.3
223.04590	2.1
224.01532	1.6
224.06163	2.8
224.95018	1.2
225.02362	1.4
226.03436	1.1
226.05577	3.6
227.03979	13.3
228.05681	1.3
228.55809	1.4
229.01968	1.4
229.05626	4.0
231.03511	18.8
232.03487	2.3
233.01349	2.1
233.05124	4.8
234.05991	1.0
237.02744	5.8
237.06265	1.0
238.03357	1.5
238.05653	1.6
239.04037	5.7
239.05937	1.6
241.01801	1.1
243.01431	1.4
243.03520	2.7
245.05057	100.0
246.05264	4.1
247.04703	1.6
249.04587	1.7
251.04337	1.4
252.07558	1.0
255.03596	3.6
257.01315	5.7
257.05167	7.9
261.02524	7.2
263.06137	20.0
264.07568	2.2
264.57626	1.0
269.05023	1.4
271.06598	4.1
272.06519	1.5
273.05215	1.3
273.08167	6.9
273.58316	3.3
274.07834	1.1
275.02460	45.4
275.06073	34.9
275.08487	1.1
277.07770	4.7
279.03864	6.1
281.07071	3.5
285.04568	1.5
286.07690	2.7
287.02469	13.8
287.06085	8.0
287.08969	1.3
289.07721	1.6
292.05539	1.5
293.03494	15.4
293.07132	5.2
295.08780	10.0
296.03781	1.6
296.08640	2.0
298.04092	2.4
304.54001	2.2
305.03635	13.1
305.07166	15.9
305.54587	1.0
311.06384	0.9
313.05777	1.2
315.05667	5.1
316.05127	2.9
316.08673	1.6
317.03464	1.3
317.07068	2.3
321.05023	3.5
333.06454	2.1
335.04501	17.4
335.08264	7.2
337.09586	2.6
341.03586	8.7
347.08487	1.5
351.05978	1.5
351.11319	1.7
359.04538	24.0
365.09338	14.9
377.05554	55.9
381.06885	1.6
383.10468	1.3
385.61771	1.7
386.06607	3.3
386.11359	2.1
395.06659	62.1
396.06815	1.2
399.07947	2.6
400.07245	1.9
418.08087	1.5
425.11337	1.8
427.07303	1.3
437.09436	6.2
439.13089	10.8
449.09464	1.6
455.10840	1.7
521.10065	2.5
539.10864	13.9
557.11774	39.3
576.55676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.1
62.66233	2.8
69.03423	5.1
70.03466	12.1
70.03879	5.4
73.99172	2.4
82.99844	3.2
85.02898	9.3
96.65932	2.5
97.02898	7.9
98.97564	4.4
101.00886	7.8
116.98643	6.3
119.01911	54.5
125.60654	2.7
127.02466	3.5
127.03896	5.6
131.01866	18.7
133.03419	4.3
137.02950	14.6
143.01883	23.8
145.03456	33.4
145.04568	4.2
146.99663	4.1
149.02953	8.9
155.01848	19.1
157.03447	17.4
159.05035	10.8
161.02940	56.8
161.04298	3.6
163.02753	3.2
163.04483	7.3
167.01910	7.9
169.03506	17.2
170.99722	3.7
171.05040	9.4
173.02937	42.1
175.00810	3.2
175.04478	6.1
177.00833	4.4
177.02457	5.6
179.01826	3.7
179.04057	3.5
184.04628	3.8
185.02931	70.1
185.04538	5.1
187.04510	43.3
189.00749	4.9
189.02414	5.1
191.03973	6.5
197.02939	23.4
199.04451	6.9
201.00734	6.4
201.02435	4.3
203.03978	62.2
205.05595	2.7
211.04594	6.5
213.02473	9.9
215.04010	21.4
219.01660	6.2
219.03581	8.6
221.03088	3.2
221.04950	14.4
226.05768	4.1
227.04012	10.0
231.03529	21.5
233.01447	4.7
233.05127	4.4
237.02832	6.1
239.03931	7.6
245.05043	100.0
246.05434	4.2
249.04491	4.0
257.01437	5.6
257.05005	5.6
261.02765	7.0
263.06067	19.4
271.06552	3.6
275.02481	47.1
275.06052	16.1
279.03925	5.4
287.02444	13.5
287.06024	6.8
293.03470	15.0
293.07086	6.6
305.03677	17.9
305.07187	16.8
315.05704	4.6
316.05130	4.2
317.03540	3.3
321.04907	4.0
323.04330	3.0
335.04514	23.1
335.08038	5.3
341.03629	4.6
359.04407	36.1
365.09198	14.4
371.31314	3.0
377.05591	71.4
395.06686	87.2
399.08249	3.7
539.10767	16.9
557.11829	49.1
562.98486	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	557.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01857	0.4
55.05507	0.4
66.19199	0.2
67.05480	0.8
68.99790	0.2
69.03412	0.5
69.73372	0.2
70.59951	0.4
70.60308	0.6
71.04974	0.2
78.04703	1.4
79.05476	1.6
81.03402	0.7
81.07039	0.9
83.04953	0.3
85.02886	0.5
87.04507	0.2
91.05476	1.6
93.03399	0.3
93.07043	1.0
94.04179	0.2
95.04941	1.2
95.08581	0.4
95.77431	0.2
103.05458	0.8
105.07010	1.7
106.04156	0.7
107.04957	1.9
107.08544	0.3
109.02899	0.4
109.06546	0.4
109.10115	0.3
111.04459	0.5
115.05483	0.3
117.06989	0.4
119.04945	0.4
119.08588	0.3
121.06501	0.8
121.10069	0.2
122.03680	0.3
123.04405	4.8
124.05212	1.8
125.06000	0.3
127.03917	0.4
127.91049	0.2
129.06927	0.6
131.04909	0.4
131.08533	0.6
133.06459	1.0
133.10205	0.2
134.03635	0.3
135.04405	0.5
137.05977	1.3
139.03888	8.1
145.06442	0.4
145.10103	0.6
147.04369	2.2
147.08026	0.6
147.11728	0.2
149.06000	1.4
151.03879	1.1
151.07544	0.4
152.04663	1.6
153.05434	0.4
155.08417	0.2
157.06490	0.6
159.07936	0.2
159.11687	0.3
161.05969	1.7
163.03923	2.2
163.07558	0.4
165.05486	0.2
165.09090	0.3
166.06265	0.3
167.07021	100.0
168.07336	0.8
173.06001	0.9
175.07510	1.5
177.05498	0.5
179.07053	0.7
181.08543	1.6
187.07555	0.4
189.05392	0.4
193.08583	6.0
195.08023	0.3
197.06026	0.3
199.07515	0.5
201.05467	0.4
201.09050	0.2
207.08206	0.3
211.07687	0.2
211.09622	3.4
223.07515	0.3
225.09123	0.4
237.09033	0.4
239.07156	0.3
241.04962	0.5
241.08804	0.3
251.06914	0.3
256.07281	0.2
271.06067	0.3
283.06152	0.6
295.06186	0.2
308.06412	0.2
315.08804	0.2
315.15820	0.5
341.14075	0.4
347.14825	2.8
357.13367	0.3
375.14087	0.2
389.19678	0.4
395.24008	0.3
431.60571	0.2
447.17856	1.6
465.19061	2.3
521.21698	0.7
539.22491	0.8
557.28943	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2984
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.24214	1.5
53.03939	1.9
53.11015	1.9
55.05506	10.6
57.03424	5.6
57.07069	50.9
63.92099	1.8
65.94075	1.9
67.05495	21.9
69.07061	11.6
69.35154	19.5
71.08623	41.6
79.05496	8.3
81.03403	5.6
81.07047	26.5
83.04974	3.2
83.08611	13.6
83.33093	1.5
85.02877	3.4
85.10170	21.0
89.06021	3.7
91.05473	5.3
93.07027	8.1
95.04947	4.4
95.08599	32.4
97.10158	9.4
98.21114	9.1
102.01785	1.7
105.07005	6.9
107.08578	5.9
109.02863	4.3
109.10133	14.4
119.08533	2.9
121.10119	2.5
123.11699	6.5
125.09601	2.7
129.06976	1.9
131.08563	3.8
133.10091	3.1
143.08409	2.2
145.10124	5.3
161.09628	1.7
163.11137	2.5
198.62352	1.6
227.94012	1.8
239.23679	37.8
243.00760	1.6
257.24658	3.1
275.20221	1.8
298.27438	2.4
313.27328	100.0
331.28357	2.9
363.35315	1.9
557.34259	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01861	2.6
55.05506	17.6
57.02654	0.9
57.03434	4.9
57.07076	5.2
57.71123	0.8
65.03924	1.5
67.05499	33.6
69.03416	1.8
69.07063	14.9
70.55096	2.9
71.04984	2.7
71.08617	3.5
74.09701	0.9
76.05128	0.8
77.03908	1.0
79.05043	1.8
79.05484	27.0
81.03411	3.0
81.07050	32.3
83.04974	3.6
83.08615	8.1
84.72382	0.7
85.06529	2.6
85.10177	1.0
91.05473	28.5
93.07033	26.2
95.04957	8.5
95.08598	25.8
97.06534	4.0
97.10149	5.8
99.08057	1.5
105.04552	1.0
105.07018	26.2
107.04942	3.7
107.08592	14.0
109.06512	3.9
109.10153	10.7
111.08080	1.4
115.05472	1.8
117.07008	13.0
119.08571	21.2
121.06499	1.7
121.10118	9.9
123.08067	3.8
123.11687	1.2
125.09629	2.0
128.06248	4.2
129.06993	14.2
129.07890	1.5
130.07817	2.0
131.08546	27.2
131.09499	1.6
133.10115	15.2
135.08107	2.5
135.11676	5.6
137.09599	1.2
139.03891	1.6
141.06978	7.2
142.07788	2.6
142.62228	0.9
143.08542	20.2
144.09299	0.9
145.06482	3.2
145.10106	22.1
147.08011	1.3
147.11684	14.3
149.09596	1.2
149.13246	4.3
153.06958	1.5
154.07816	1.8
155.01086	1.1
155.08556	15.2
155.09706	1.6
156.09361	2.1
157.10110	16.2
158.10852	1.0
159.08043	1.8
159.11682	16.2
160.15495	1.0
161.09576	2.1
161.13243	9.9
162.31017	0.8
163.11223	1.8
165.06989	1.7
167.08562	7.6
168.09358	1.8
169.10110	20.6
169.11537	1.3
171.08128	0.9
171.11655	17.4
173.09702	2.2
173.13258	9.8
175.11131	1.5
175.14836	3.8
175.50597	0.9
177.12712	1.7
179.04897	0.8
179.08575	2.8
181.10115	11.1
183.11661	16.8
185.09560	1.3
185.11679	0.7
185.13248	14.3
187.11192	2.4
187.14836	4.2
189.12767	2.5
189.16458	1.2
191.08542	1.0
192.09470	0.9
193.10170	3.3
195.11687	9.5
196.12433	1.1
197.09573	0.9
197.13203	11.9
199.11186	1.3
199.14815	6.9
201.16460	1.7
203.14378	1.5
205.10208	1.3
205.12234	1.1
207.11743	3.2
207.13843	3.1
208.12508	1.0
209.13257	7.6
211.14813	7.5
213.16371	6.9
215.14452	1.5
219.11783	1.9
219.17224	0.9
221.13284	3.4
223.14867	5.9
225.16400	4.0
227.14549	1.0
227.18024	1.5
231.17572	0.8
233.13205	2.0
235.14813	2.9
237.16394	3.4
239.18083	1.5
239.23714	1.8
241.19441	6.0
244.83186	0.9
247.14746	1.4
247.17017	1.1
249.16417	1.7
251.18016	2.4
253.19591	1.0
259.20563	12.0
267.21152	1.5
269.22745	1.0
277.21698	1.0
279.15729	2.4
279.20969	1.2
281.17294	8.8
285.21997	1.1
287.19952	1.0
293.19125	1.2
293.22885	0.8
295.20657	1.4
297.22186	2.6
299.23587	1.8
307.20593	1.1
309.22260	1.5
311.20224	1.1
311.23572	1.4
313.21606	1.4
313.27478	6.0
315.23160	1.0
321.22086	1.6
323.23816	3.2
327.23154	1.2
333.24292	3.6
335.23810	3.4
339.23257	1.6
341.24594	1.2
349.25372	1.2
353.24826	2.3
365.25021	1.4
366.38055	1.0
367.26346	1.1
414.77347	1.0
419.33112	4.3
429.31555	5.0
435.32401	1.2
437.34131	8.7
447.32532	23.3
465.33701	19.7
483.34641	13.5
501.35587	2.3
503.35187	2.3
509.36929	1.3
511.37885	1.9
521.36285	8.9
527.37531	3.0
529.38934	5.3
539.37292	100.0
540.37506	2.7
557.38397	53.7
558.38757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.01860	4.9
55.05503	14.0
57.07067	5.9
59.05001	3.8
67.05499	33.9
68.23217	4.1
69.03431	7.2
69.07058	22.1
71.04970	6.7
71.62011	7.0
79.05489	30.8
81.03394	17.5
81.07047	53.6
83.04973	10.1
83.08598	14.1
85.02898	11.0
91.05470	35.3
93.07037	46.4
95.04958	17.8
95.08604	70.3
97.06535	5.9
97.10153	5.7
105.07014	57.7
107.04943	9.4
107.08582	74.7
109.06491	6.1
109.10144	29.1
111.04435	4.8
115.05415	4.2
117.07007	12.6
119.08573	49.1
121.06503	11.8
121.10136	45.0
123.04423	9.5
123.08077	4.1
123.11681	15.1
125.09627	5.1
127.03969	4.4
128.06136	4.3
129.06981	17.3
131.08548	43.4
133.06511	6.9
133.10114	49.1
135.08046	8.7
135.11684	38.1
137.13179	7.5
139.03886	17.1
142.07735	5.7
143.08514	15.3
145.06493	5.8
145.10089	35.8
146.07260	4.1
147.08003	21.8
147.11682	23.9
149.06032	4.2
149.09642	29.5
149.13264	10.6
151.07454	3.7
151.11142	4.6
151.14893	5.2
153.07005	5.7
155.08554	17.3
156.09335	8.3
157.10143	26.8
159.08014	28.6
159.11652	18.5
161.09627	38.1
161.13240	10.6
163.03915	20.3
163.07559	6.7
163.11128	6.0
165.07002	5.3
165.09158	8.9
167.08441	4.4
169.10100	11.5
170.10947	5.9
171.08063	7.2
171.11699	18.1
173.09581	20.8
173.13272	12.7
175.07547	11.8
175.11166	5.3
175.13339	4.6
175.14806	13.6
177.09044	10.9
177.12744	4.5
179.07166	4.0
181.10095	6.4
182.10861	11.1
183.11674	9.4
185.09488	6.0
185.13245	14.4
187.07527	5.1
187.11171	10.4
187.14810	17.6
189.09149	6.6
189.12770	3.9
189.16360	15.6
191.17920	53.5
193.12259	7.9
195.11693	6.6
197.13185	13.5
199.11243	6.7
199.14857	8.2
201.12791	6.2
201.16377	10.2
203.14282	10.0
203.17944	10.7
209.13216	4.6
210.10217	5.4
211.11194	4.9
213.12772	15.4
213.16379	5.2
215.10773	4.5
215.14296	31.1
217.12262	6.0
225.12720	10.5
229.12186	5.5
229.19478	11.0
231.13707	18.9
233.15358	15.0
241.05022	22.7
241.19601	5.4
243.13800	48.1
247.20534	5.7
255.17337	5.0
255.21086	5.8
257.22699	4.3
261.14804	50.0
267.17563	4.8
269.18857	4.2
270.05212	5.5
271.05936	8.0
279.15845	100.0
293.18793	5.1
331.19260	4.2
374.11725	4.0
387.30508	21.0
403.29901	10.0
405.31580	50.7
415.29727	8.8
418.99091	4.8
421.16431	10.7
421.31009	33.2
423.32364	13.5
433.30896	26.7
439.32004	9.9
447.17792	4.8
451.31946	37.0
459.27408	4.9
465.19009	65.7
469.32932	17.3
536.03125	4.2
539.22693	14.3
539.36871	12.7
557.30554	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	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01866	3.5
55.05505	15.0
57.03436	4.5
57.07063	2.7
59.05008	1.0
65.03931	1.7
67.05497	32.2
69.03442	1.1
69.07056	12.8
70.87659	0.9
71.04975	3.0
71.08585	1.6
77.03951	1.5
79.05484	28.4
79.64807	1.0
81.03411	1.4
81.06569	1.6
81.07051	31.1
83.04966	3.7
83.08620	8.2
85.06557	2.5
91.05473	25.4
93.07038	22.5
95.04961	5.6
95.08603	23.2
97.06503	3.5
97.10162	3.1
98.20752	2.0
99.08099	1.0
103.05438	1.1
105.07021	27.3
107.04964	2.9
107.08581	14.4
109.06544	2.2
109.10154	8.8
115.05445	2.8
117.07023	11.8
119.08571	24.0
121.06496	2.1
121.10144	8.0
123.08084	3.9
123.11716	1.9
124.66633	0.9
125.09622	1.6
127.07623	1.2
128.06178	4.7
129.05507	1.1
129.06989	15.2
130.07779	1.0
131.08559	26.7
133.10100	12.1
133.10907	1.3
135.08072	1.0
135.11699	5.8
141.06981	5.0
142.07805	4.3
143.08537	18.3
145.06451	1.8
145.10112	22.6
147.07991	1.1
147.11670	13.7
149.09555	2.3
149.13281	3.4
153.07008	1.8
154.07791	1.4
154.17284	0.9
155.08545	16.5
156.09407	1.2
157.10115	17.9
158.79582	0.9
159.11670	12.9
161.09628	2.2
161.13254	8.9
163.11192	2.0
165.07118	1.3
167.08536	6.5
168.09360	2.6
169.10104	18.2
170.10896	1.4
171.08186	1.3
171.11664	21.7
173.09718	1.1
173.13278	10.6
175.14853	4.3
179.08482	1.9
181.10086	11.8
183.11673	13.9
185.09694	1.5
185.13220	12.2
187.11212	1.8
187.14822	4.8
189.12790	2.1
193.10152	3.0
195.11699	11.5
196.12619	1.1
197.13206	13.9
199.11201	1.5
199.14792	9.2
201.16431	2.9
207.11729	3.8
207.13583	1.8
208.19856	0.9
209.13213	8.0
211.14781	7.7
213.16423	6.7
215.17992	1.7
219.11737	2.0
221.13315	2.9
223.14880	5.6
225.16425	4.0
229.68686	1.1
231.17557	1.2
233.13278	2.6
235.14780	3.0
237.16469	3.3
239.18048	1.3
241.19577	5.1
247.14809	2.0
247.17085	1.5
249.16374	1.7
251.18011	1.4
255.21262	1.0
259.20596	11.9
277.21835	1.1
279.16068	2.1
281.17377	9.2
283.20709	1.1
287.20084	1.3
293.18744	1.2
297.22122	2.0
309.22092	1.8
315.23312	1.2
321.22043	2.0
323.23700	2.8
327.23297	1.1
333.24112	4.3
334.88730	1.0
335.23624	1.8
337.25278	1.4
339.22983	1.9
341.24750	2.1
349.25241	1.4
353.24707	2.3
367.26108	1.3
379.26358	1.3
419.33057	4.1
429.31348	5.6
437.34024	11.6
447.32516	23.4
465.33716	25.1
483.34683	19.0
501.34952	2.2
503.35126	2.2
511.37973	2.1
521.36310	9.0
527.37366	2.5
529.38885	8.8
539.37280	100.0
540.37885	1.9
557.38373	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	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01860	2.2
55.05255	1.1
55.05502	15.4
57.03426	4.2
57.07064	2.1
57.73119	0.9
63.48600	0.7
65.03921	2.2
67.05491	27.6
69.03432	1.1
69.07058	12.8
70.85339	2.6
70.85693	0.8
71.04972	2.7
71.43054	0.8
79.05479	20.6
81.03413	2.2
81.07043	28.4
82.75610	0.8
83.04977	3.5
83.08613	7.6
85.06558	1.3
91.05466	23.3
93.07030	22.8
95.04951	5.2
95.08591	19.3
97.06522	2.8
97.10158	3.0
99.08073	1.5
101.07583	0.9
101.54189	0.8
103.05536	0.8
105.07011	20.4
107.04968	2.9
107.08569	12.3
108.11241	0.8
109.06525	2.6
109.10146	8.2
111.04431	0.9
111.08080	1.4
115.05407	1.5
117.06995	12.5
119.08569	17.9
121.06517	1.8
121.10123	6.9
123.08076	2.5
123.11703	2.1
125.09621	2.6
128.06209	2.5
129.06993	13.8
131.08545	20.3
133.06505	1.1
133.10109	12.8
135.08069	2.0
135.11665	6.6
138.61339	0.8
141.06963	6.6
142.07784	2.4
143.08537	17.0
145.06511	1.3
145.10100	19.1
147.08018	1.4
147.11671	12.2
149.09581	1.5
149.13239	2.4
151.11192	1.2
155.08525	14.6
156.09322	1.9
157.10110	12.8
159.11658	13.5
161.09641	1.8
161.13239	6.1
163.11177	1.5
163.14714	1.1
165.06966	1.0
167.08537	5.3
168.09370	2.0
169.10086	19.5
169.11513	1.1
171.11661	17.4
173.09564	1.0
173.13242	9.9
175.11214	1.8
175.14836	3.4
177.12732	1.6
179.08510	1.7
181.10110	8.8
182.10857	1.1
183.11655	15.7
185.13214	10.6
187.11191	1.3
187.14787	5.9
189.12761	2.3
193.10117	2.3
195.11681	9.1
196.12444	1.2
197.13268	10.2
199.14810	5.5
201.16475	1.5
205.10223	1.1
207.11690	4.0
207.13808	2.9
209.13226	6.5
211.14853	7.3
213.16360	4.7
219.11795	1.5
221.13292	3.2
223.14819	5.2
225.16348	3.1
231.17372	1.1
233.13268	2.0
235.14838	1.6
237.16412	3.6
239.18031	1.3
241.19467	6.2
247.14673	1.3
247.17050	1.9
249.16275	1.3
251.18086	1.6
253.19652	1.0
257.19092	2.3
259.20569	9.7
263.17963	1.0
275.20139	1.4
279.16006	2.6
279.21002	0.9
281.17316	8.3
285.18417	0.9
297.18726	0.9
297.22012	2.1
299.23694	1.0
309.22195	1.7
311.20187	1.6
311.23825	1.1
313.21603	1.5
315.23227	1.7
321.22299	1.1
323.23764	2.4
325.21643	1.8
325.25317	1.1
333.24243	4.4
335.23785	2.4
337.25189	1.4
339.23227	2.4
341.24634	1.0
349.21289	1.2
349.25275	1.5
351.22968	1.2
353.24783	2.2
365.24905	1.7
367.26254	1.3
419.33194	3.4
429.31598	5.3
437.34097	9.4
447.32590	17.8
455.35617	1.0
465.33615	23.4
483.34763	14.9
501.36044	3.2
503.35452	2.0
511.37915	2.7
521.36359	10.0
527.37457	2.3
529.38849	8.1
539.37262	100.0
540.37799	1.3
557.38379	50.6
558.38837	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01847	3.1
55.05506	18.8
57.03416	5.1
57.07055	4.7
57.15070	1.2
61.54055	1.4
67.05161	2.5
67.05496	37.3
69.07059	15.1
69.39291	14.9
71.04987	4.0
71.08617	2.3
79.05491	29.1
81.03411	1.9
81.07045	36.5
83.04942	4.3
83.08618	10.1
85.06503	1.8
91.04945	2.5
91.05473	28.7
93.07034	34.5
95.04958	10.1
95.08587	26.2
97.06522	3.4
97.10164	2.2
99.08087	1.6
100.82440	1.4
103.05463	2.6
105.07019	27.0
107.04942	3.0
107.08595	15.0
109.06516	3.3
109.10161	10.7
111.08056	3.2
114.47857	1.4
115.05409	2.0
117.06995	12.8
119.08564	23.2
121.06475	2.9
121.10134	8.3
123.08051	4.1
123.11687	2.8
125.09603	2.0
127.32298	1.6
128.06241	2.1
129.06989	16.0
130.07800	2.4
131.08545	25.5
133.10115	16.6
135.11673	6.2
137.09610	1.9
141.06952	6.7
142.07747	2.8
143.08540	18.9
145.06462	2.4
145.10103	23.0
147.11667	13.3
149.13211	2.8
153.06979	1.8
155.08533	20.6
156.09314	1.6
157.10129	18.8
159.11691	16.8
161.09578	1.5
161.13217	8.0
163.11174	1.6
167.08527	9.1
168.09293	3.3
169.10109	21.4
171.08031	2.4
171.11674	18.6
173.13252	10.6
175.14853	3.5
179.08536	3.1
180.09467	1.7
181.10069	9.9
182.10907	2.6
183.11687	15.4
185.13261	13.7
187.11182	3.6
187.14807	5.5
189.12732	1.8
193.10127	3.9
195.11703	12.9
197.13226	14.0
199.14737	8.7
201.16284	2.1
207.11754	5.1
209.13197	9.4
211.14775	9.3
213.16373	5.6
221.13251	3.5
223.14799	4.8
225.12708	1.6
225.16402	4.4
227.17996	2.1
235.14867	2.6
237.16415	4.2
239.17921	1.9
241.19504	5.5
244.79904	1.6
259.20648	10.1
279.15961	4.1
281.17358	7.4
283.20303	1.7
297.21973	1.9
309.22101	2.8
313.21634	1.7
321.21918	2.6
323.23599	2.9
325.21600	1.6
325.25204	2.4
333.24359	4.9
335.23456	2.1
353.24765	4.2
367.26071	1.6
419.33008	4.1
429.31561	4.9
437.34174	9.8
447.32593	19.6
465.33612	23.9
483.34692	15.0
501.35641	4.2
503.34781	2.2
511.37546	3.2
521.36401	7.6
529.38977	9.0
539.37274	100.0
557.38269	62.2
557.51892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.6017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.5
57.07067	37.3
67.05495	35.0
69.07059	34.7
69.07376	0.7
69.07439	1.3
71.08623	31.3
71.28297	1.4
71.28619	1.5
79.05489	5.4
81.07047	71.9
83.08607	35.1
85.10168	21.3
88.10885	1.1
93.07034	1.5
95.08593	100.0
97.10159	31.6
99.11723	3.5
101.07552	1.0
109.10139	63.0
111.11703	25.4
113.13264	2.2
123.11695	27.9
125.13232	8.9
127.14816	1.4
137.13242	15.9
139.14787	5.2
141.16388	1.6
151.14775	9.3
153.16425	2.0
155.17897	1.6
158.86087	1.2
165.16341	8.8
167.18002	1.4
179.17952	3.7
221.22580	1.8
235.24139	1.9
252.55832	1.2
277.28848	1.1
291.30457	4.3
305.32074	2.9
319.33624	3.4
333.35068	2.3
347.36908	1.7
361.38324	3.9
504.24481	1.2
557.53204	4.1
557.60193	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90757	0.2
51.63618	0.3
53.03939	0.7
55.01856	0.5
58.03740	0.3
61.02923	6.7
65.03922	0.5
70.06576	0.7
70.71855	0.3
71.04970	0.8
71.63356	0.4
72.04582	0.3
74.30711	0.3
75.04466	0.9
78.04697	1.2
78.79396	0.3
79.05483	1.8
81.07048	0.6
84.08158	0.5
85.02885	1.2
86.09687	0.5
91.05467	2.9
93.03412	2.2
93.07055	0.7
95.04959	1.3
96.05741	0.3
103.05463	1.0
103.41863	0.2
105.07010	0.6
106.04163	3.9
106.41868	0.3
107.04942	2.4
109.06503	0.8
111.08086	0.3
119.04903	0.8
121.06499	4.3
122.03655	0.4
123.04421	3.7
124.05196	2.3
125.05988	1.4
129.10228	0.4
131.04909	1.4
132.10759	0.3
133.06474	0.3
134.03598	0.9
135.04347	0.9
137.05968	2.7
139.07552	2.1
147.04399	0.6
148.05173	0.7
149.05975	8.2
151.03903	0.9
151.07500	1.2
152.04697	1.4
153.01898	0.4
153.09073	2.0
159.36977	0.4
161.05992	2.2
161.09596	0.4
163.03911	1.0
163.07530	1.3
167.07027	100.0
168.07414	0.4
175.07494	0.3
177.05463	5.7
177.09113	0.4
181.08574	4.8
189.09085	1.0
190.00844	0.4
191.07022	1.4
192.07869	0.4
195.06494	0.8
207.10110	2.3
209.08070	29.9
223.04237	4.8
227.09123	26.1
287.12799	0.8
303.04999	0.5
312.08917	0.5
313.14355	0.5
331.15521	2.0
387.14679	0.3
419.17047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72549	1.3
54.48552	1.2
55.01867	1.6
55.77491	1.1
69.03430	2.1
75.07021	1.4
77.04007	1.2
79.05479	2.5
81.03392	1.4
85.02888	4.8
91.05461	17.4
94.04166	1.5
95.04948	3.3
97.02883	1.7
103.05439	12.5
105.06998	11.8
107.04937	26.7
107.05628	2.6
115.05415	5.3
117.07009	2.5
119.04924	15.0
120.05743	1.4
121.06487	6.7
122.03609	3.8
127.03851	1.8
128.06206	2.4
129.06984	5.1
131.04906	18.5
131.08540	1.9
133.02853	3.4
133.06470	8.6
135.04410	1.5
135.07996	8.1
137.05952	78.4
138.15771	1.2
145.04951	2.1
145.06462	2.0
146.07289	1.6
147.04401	13.0
148.05151	2.2
149.05933	10.7
149.09610	1.7
151.03905	1.8
151.06255	1.8
151.07521	40.8
157.06459	6.3
161.05962	84.7
161.09593	17.3
162.06746	7.1
163.07524	46.5
165.05424	1.7
165.09100	1.8
167.07135	2.4
167.08527	4.3
169.06526	1.4
174.06749	4.4
175.07466	11.9
177.05475	2.1
177.09113	2.5
179.07031	4.1
181.08562	12.0
187.07544	1.7
189.09081	54.4
191.07024	3.8
193.06451	1.3
193.10152	2.0
195.08057	6.7
195.09798	1.4
196.84634	1.4
197.05846	1.5
207.10133	98.7
219.10112	9.1
221.05942	3.1
221.09656	3.0
223.07500	3.2
225.09056	3.3
227.10622	8.9
233.09746	1.2
237.09019	1.7
240.08089	1.3
241.33749	1.4
249.09070	2.5
253.08551	4.0
253.12186	5.5
255.10133	9.9
265.08688	1.8
267.10413	2.3
269.08170	1.5
281.11749	3.3
284.10431	1.9
285.11258	7.2
287.12726	33.1
291.12253	2.7
297.11343	2.9
299.12762	5.0
311.12741	10.8
313.14297	35.9
325.14569	1.9
331.15350	100.0
343.15430	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	558.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91492	1.3
79.05474	2.7
79.70698	1.3
84.27450	1.5
85.02877	5.8
89.39419	1.3
91.05466	15.1
95.04971	3.6
97.02882	2.2
103.05437	10.2
105.07015	6.5
107.04943	20.7
115.05419	2.5
119.04930	13.0
119.94108	1.3
121.06505	5.0
122.03635	3.2
129.06972	4.8
131.04918	13.0
133.02855	2.7
133.06476	6.4
135.08051	6.1
137.05962	67.7
145.04961	2.1
145.06508	2.3
147.04393	10.5
149.05946	8.1
151.07526	39.8
157.06490	5.5
161.05965	74.9
161.09557	16.1
162.06754	5.9
163.07527	43.9
165.05479	2.1
165.09148	2.3
167.07033	1.5
167.08394	1.9
169.06360	1.4
174.06757	3.7
175.07532	8.4
177.05458	2.0
177.09012	3.2
178.07648	1.4
179.07016	3.8
181.08540	11.7
189.09090	53.0
191.07057	3.3
195.07979	4.9
203.45419	1.5
207.10133	89.2
209.09705	1.5
219.10167	6.1
221.06110	2.1
223.07613	3.6
227.10666	9.1
253.08577	3.1
253.12254	5.9
255.10130	7.8
267.10141	1.9
281.11639	2.2
285.11221	7.9
287.12747	24.4
297.11209	3.2
298.12155	1.8
299.12759	5.4
311.12720	10.6
313.14291	26.8
325.14069	2.2
331.15363	100.0
343.15390	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	558.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	1.7
55.05500	6.8
57.03432	2.9
57.07069	12.7
59.04985	2.5
61.02923	6.8
69.03422	11.8
69.07059	59.0
69.22750	0.5
70.07388	0.5
71.04986	6.6
71.08273	0.8
71.08627	9.8
72.87051	0.5
73.02908	2.2
73.06546	10.4
79.05478	0.6
81.03411	4.9
81.07059	0.6
83.08607	2.0
85.02894	59.4
85.10181	3.7
87.04490	1.1
89.06019	29.0
91.03941	2.3
91.05461	1.2
93.07050	0.6
97.02267	1.1
97.02879	15.6
99.04447	3.0
99.11729	1.5
101.02374	0.8
104.88548	0.5
107.04957	3.1
107.08560	0.5
108.05312	1.1
109.02863	4.8
111.11706	84.4
114.62332	0.6
115.03907	0.8
127.03909	12.5
129.12738	100.0
139.03874	1.1
145.04936	17.4
147.13797	0.5
163.03882	0.8
163.06026	6.1
170.15361	1.6
194.18886	0.5
196.50621	0.5
199.16913	26.1
200.96454	0.5
217.17963	39.3
314.72214	0.5
325.11246	0.6
434.61237	0.7
466.19208	1.8
558.29858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82049	0.5
53.03905	0.6
55.01862	0.8
55.05487	1.3
67.05471	1.8
68.99785	2.7
69.03426	1.0
69.07054	1.6
69.99759	1.9
71.04974	0.9
79.05480	2.4
81.03415	0.8
81.07051	2.8
83.04952	0.6
83.08612	0.9
84.04499	0.8
84.33099	0.4
85.02886	1.2
89.03922	0.5
91.05473	3.1
93.07024	2.3
95.04961	0.8
95.08599	2.0
97.02881	0.7
97.06480	0.6
105.03402	1.1
105.07014	1.5
107.04913	0.6
107.08562	1.2
109.10127	0.8
114.35656	0.5
115.05380	0.6
117.07008	0.6
119.04910	0.5
119.08529	0.9
121.10103	1.1
123.04413	1.0
123.08058	0.5
123.11717	0.5
127.03928	0.8
129.06972	1.7
131.04865	1.1
131.08536	0.8
133.10089	1.1
135.07997	0.6
137.02202	0.4
137.05927	0.8
139.03903	0.9
139.11166	0.5
140.04228	0.5
141.06987	3.3
143.08591	0.9
145.06432	0.8
145.10103	1.0
147.04376	0.6
147.11671	0.7
149.09561	0.6
153.01820	2.6
155.04892	1.9
157.02809	1.2
157.06493	1.5
159.11713	0.6
161.13254	0.5
163.03857	0.6
165.01758	0.6
167.06982	2.1
169.06433	1.9
171.02954	0.5
171.04378	0.6
171.11679	0.5
173.13156	0.6
173.17245	0.5
175.03859	1.2
181.12300	0.5
189.09097	0.5
189.73608	0.4
197.05956	6.2
199.03885	1.0
204.16513	0.4
213.05435	3.8
225.05493	3.3
241.04926	23.8
242.05539	0.7
248.24019	0.5
253.04907	10.7
257.04434	0.5
268.03647	0.8
269.04425	30.9
270.05197	3.4
271.05872	2.2
272.68533	0.5
283.06049	1.1
285.04227	1.0
285.07468	4.3
296.03149	4.4
297.03897	100.0
298.04550	2.1
307.06009	0.6
311.05447	17.9
313.03513	0.9
315.04807	0.6
321.07495	0.5
323.05450	1.1
325.03448	4.1
329.06580	4.5
339.04910	0.9
407.14929	0.9
435.14212	0.6
437.12369	0.7
445.12701	0.6
455.39731	0.5
463.13831	2.9
467.19949	0.8
470.79749	0.5
481.14850	13.1
491.12646	0.6
509.14383	47.7
513.17523	4.4
523.15674	0.9
527.15430	7.7
541.16998	32.2
559.18073	5.2
559.30237	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	559.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82049	0.5
53.03905	0.6
55.01862	0.8
55.05487	1.3
67.05471	1.8
68.99785	2.7
69.03426	1.0
69.07054	1.6
69.99759	1.9
71.04974	0.9
79.05480	2.4
81.03415	0.8
81.07051	2.8
83.04952	0.6
83.08612	0.9
84.04499	0.8
84.33099	0.4
85.02886	1.2
89.03922	0.5
91.05473	3.1
93.07024	2.3
95.04961	0.8
95.08599	2.0
97.02881	0.7
97.06480	0.6
105.03402	1.1
105.07014	1.5
107.04913	0.6
107.08562	1.2
109.10127	0.8
114.35656	0.5
115.05380	0.6
117.07008	0.6
119.04910	0.5
119.08529	0.9
121.10103	1.1
123.04413	1.0
123.08058	0.5
123.11717	0.5
127.03928	0.8
129.06972	1.7
131.04865	1.1
131.08536	0.8
133.10089	1.1
135.07997	0.6
137.02202	0.4
137.05927	0.8
139.03903	0.9
139.11166	0.5
140.04228	0.5
141.06987	3.3
143.08591	0.9
145.06432	0.8
145.10103	1.0
147.04376	0.6
147.11671	0.7
149.09561	0.6
153.01820	2.6
155.04892	1.9
157.02809	1.2
157.06493	1.5
159.11713	0.6
161.13254	0.5
163.03857	0.6
165.01758	0.6
167.06982	2.1
169.06433	1.9
171.02954	0.5
171.04378	0.6
171.11679	0.5
173.13156	0.6
173.17245	0.5
175.03859	1.2
181.12300	0.5
189.09097	0.5
189.73608	0.4
197.05956	6.2
199.03885	1.0
204.16513	0.4
213.05435	3.8
225.05493	3.3
241.04926	23.8
242.05539	0.7
248.24019	0.5
253.04907	10.7
257.04434	0.5
268.03647	0.8
269.04425	30.9
270.05197	3.4
271.05872	2.2
272.68533	0.5
283.06049	1.1
285.04227	1.0
285.07468	4.3
296.03149	4.4
297.03897	100.0
298.04550	2.1
307.06009	0.6
311.05447	17.9
313.03513	0.9
315.04807	0.6
321.07495	0.5
323.05450	1.1
325.03448	4.1
329.06580	4.5
339.04910	0.9
407.14929	0.9
435.14212	0.6
437.12369	0.7
445.12701	0.6
455.39731	0.5
463.13831	2.9
467.19949	0.8
470.79749	0.5
481.14850	13.1
491.12646	0.6
509.14383	47.7
513.17523	4.4
523.15674	0.9
527.15430	7.7
541.16998	32.2
559.18073	5.2
559.30237	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	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36693	1.3
52.38844	1.3
53.03934	6.9
54.51619	1.5
55.01862	16.7
55.05504	24.8
57.03428	8.6
57.07061	1.6
57.34281	1.8
65.03922	2.0
67.05502	59.1
69.03407	4.8
69.06709	2.5
69.07064	34.2
69.32844	3.2
69.33249	13.6
71.04985	4.4
79.05482	47.6
81.03411	46.5
81.07048	64.7
81.48450	1.3
83.04968	10.3
83.08611	17.2
85.02894	8.4
85.06536	2.8
91.05473	71.0
93.07037	44.2
95.01331	9.4
95.04953	25.8
95.08601	34.5
97.02894	2.2
97.06526	28.1
97.10164	5.1
99.08108	2.7
103.05489	1.9
105.04540	1.8
105.07023	75.6
107.04947	20.9
107.08583	24.0
109.06528	9.7
109.10120	9.1
111.04456	1.5
111.08076	8.5
113.09653	1.5
115.05441	3.0
115.35822	1.4
117.07018	14.9
119.04983	1.7
119.08572	46.1
121.06503	5.7
121.10110	12.3
123.04444	1.9
123.08046	3.6
123.11703	4.4
125.09643	5.8
128.06226	2.0
129.07001	11.4
131.08560	28.6
133.06566	2.8
133.10121	43.2
135.08012	4.6
135.11650	8.5
137.09596	3.9
139.07588	1.6
141.06969	3.5
142.07756	2.5
143.08568	6.7
145.06499	3.6
145.10120	21.2
147.11668	21.8
149.09595	12.4
149.13235	4.4
151.11208	2.5
155.08568	2.7
157.10135	10.6
159.08113	2.6
159.11671	14.7
161.09595	3.7
161.13274	6.5
163.11192	5.7
165.09181	3.2
169.10158	3.5
171.11728	4.8
173.13200	3.3
175.11150	9.0
177.12767	6.6
179.14333	15.9
183.11717	3.6
187.11203	3.2
189.11273	1.8
189.12848	3.0
193.12234	16.8
193.13803	1.6
197.13316	3.9
205.12233	2.0
211.13249	14.9
219.17503	2.1
227.12772	2.4
229.19418	2.1
239.18010	3.0
241.14267	2.9
247.20490	1.9
249.14854	1.7
249.51591	1.8
257.19000	9.9
267.15897	26.4
275.20044	100.0
279.15942	3.8
291.19626	5.4
293.20990	9.7
315.23096	1.9
349.23755	22.9
397.48578	1.7
467.31549	2.8
523.34058	2.0
541.35278	44.2
559.36322	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	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01854	13.8
55.05505	36.3
57.03439	9.9
58.52841	1.8
59.04964	2.5
65.03955	3.6
66.20144	1.9
67.05495	66.5
69.03422	5.6
69.07058	35.0
71.04987	4.4
71.61890	2.3
71.62267	2.3
72.71102	1.7
75.03152	1.7
79.05481	59.4
81.03404	61.7
81.07044	90.0
83.04953	12.0
83.08609	27.4
85.02897	3.6
85.06539	4.1
91.05471	65.7
93.07029	50.0
95.04961	32.7
95.08590	41.5
97.02860	2.6
97.06514	19.5
97.10165	15.9
99.08110	3.8
105.07014	63.8
107.04942	17.4
107.08579	34.7
109.06495	16.7
109.10133	18.1
111.08092	8.3
113.06079	2.2
113.13849	2.4
115.05459	3.8
117.07007	21.4
119.04988	3.4
119.08551	44.5
121.06532	8.7
121.10130	22.3
121.16373	1.7
123.08028	9.3
123.11691	10.6
125.09647	12.9
127.07583	2.6
128.06226	4.5
129.06996	20.0
131.08551	31.4
133.06470	6.1
133.10110	35.6
135.08095	8.1
135.11722	8.9
137.09584	4.0
139.07587	1.9
141.07059	2.5
142.07787	4.5
143.08553	12.6
145.06502	5.6
145.10080	22.4
147.08086	7.4
147.11674	26.8
149.09599	13.8
149.13281	7.6
155.08589	6.9
157.10106	19.1
159.08054	3.5
159.11671	16.9
161.09665	4.1
161.13324	7.0
163.11176	10.2
165.09120	2.1
165.12810	7.3
167.08638	2.2
169.10168	7.5
171.08115	2.2
171.11728	9.1
173.09634	4.8
173.13283	6.1
175.11176	9.6
175.14822	4.1
177.12837	3.1
179.14369	5.7
183.11705	5.5
185.13330	5.9
187.11272	4.3
187.14825	2.6
189.11259	4.8
189.12794	4.5
193.12183	21.0
195.11790	3.4
197.13284	4.9
199.14917	4.4
201.12854	2.8
205.12270	2.4
205.15979	2.9
211.11317	3.1
211.13197	4.5
219.17465	2.1
227.12807	7.7
229.19539	2.2
231.14001	2.4
239.18045	4.1
247.20695	4.4
249.14772	4.4
257.19125	7.0
259.20673	2.8
267.15851	37.1
273.18588	6.2
273.22235	2.1
275.20041	63.5
291.19717	4.7
293.21143	10.2
297.22269	2.2
299.20163	7.8
313.21799	4.7
315.23245	5.5
317.21121	2.8
329.21432	2.2
349.23749	20.0
373.23831	3.1
431.29239	6.0
449.30304	11.0
461.28638	3.1
467.31488	18.2
485.32843	11.1
523.34430	4.7
541.35107	66.0
541.42950	3.5
542.35321	3.3
559.36328	100.0
560.37152	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	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.9
53.03943	4.6
55.05505	13.8
57.03426	5.3
57.07069	2.1
65.03938	1.9
67.05496	45.9
69.07059	9.6
69.39879	4.7
69.40299	11.0
71.04969	2.5
77.54401	1.4
79.05486	50.7
81.03419	5.2
81.07047	39.5
83.04971	7.0
83.08617	6.3
83.69813	1.5
91.05468	37.5
91.06008	3.1
93.07031	49.9
95.04958	12.8
95.08601	26.5
97.06541	2.8
98.20694	2.8
105.07022	27.5
107.04948	3.1
107.08579	17.9
109.06492	3.4
109.10127	10.3
117.07021	7.3
119.08564	15.8
120.17606	1.8
121.10116	12.0
123.08101	2.6
123.11694	3.6
129.06979	10.8
131.08553	7.3
133.10139	9.3
135.08095	2.0
135.11702	5.5
136.77901	1.6
137.81012	1.6
143.08562	5.7
145.10101	10.0
147.11671	25.5
149.13293	3.2
151.71869	1.7
159.11691	4.2
161.12135	1.6
161.13246	10.2
171.11664	19.7
173.13272	3.2
175.14854	2.1
187.14821	2.0
189.12769	6.8
204.81950	1.5
207.13800	26.7
243.21025	3.7
243.59294	1.6
259.20477	2.3
261.22125	11.9
279.15814	2.9
281.17438	40.3
317.24692	2.8
335.25751	74.8
443.33832	1.8
449.34030	3.4
467.35034	2.6
523.37958	2.1
541.38861	100.0
542.38977	3.2
559.39398	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	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
52.30609	1.2
52.57081	1.4
53.03933	8.6
55.01855	3.6
55.05507	21.8
57.03429	12.2
57.07055	1.8
65.03928	3.4
67.05496	85.8
69.03423	1.6
69.07061	20.7
70.23188	5.8
71.04983	3.5
77.03902	1.6
77.44457	1.4
79.05484	82.3
81.03416	7.2
81.07047	76.2
83.04968	13.9
83.08608	9.2
85.06522	2.8
88.88109	1.3
89.57888	1.4
89.62709	1.6
91.04898	1.5
91.05470	61.9
93.07031	88.3
95.04970	22.3
95.08595	54.3
97.06525	5.1
97.10160	5.3
98.20865	2.0
98.21410	1.9
99.08078	2.3
103.05442	2.0
105.07022	42.5
107.04929	6.5
107.08588	35.0
109.06483	5.0
109.10152	17.8
111.08078	3.0
115.09597	1.5
117.07008	11.1
119.08561	27.9
121.06487	3.0
121.10122	19.5
123.08044	4.8
123.11721	4.1
126.67872	1.5
128.06218	2.0
129.06999	14.1
130.07816	2.1
131.08569	12.8
133.10123	15.7
135.08055	1.8
135.11690	11.4
143.08530	10.7
145.10103	16.4
147.08040	1.7
147.11661	32.1
149.13231	6.5
157.10112	3.4
159.11632	7.8
161.09607	3.2
161.13229	14.1
163.14803	2.6
169.10100	2.4
171.11671	22.9
173.13229	4.4
175.14746	2.1
187.14862	2.2
189.12708	8.1
207.13786	25.4
225.14966	2.1
243.21066	3.6
261.22269	10.9
279.15851	3.3
281.17416	36.6
317.24762	3.0
335.25757	67.8
449.34317	2.2
467.35092	2.4
485.36441	2.2
492.03696	1.5
529.38654	2.1
541.38849	100.0
542.38715	4.5
559.40173	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	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21057	1.7
53.03932	6.9
55.01860	4.1
55.05505	26.5
57.03432	13.2
57.07068	3.0
61.13491	1.4
63.31562	1.5
65.03929	4.8
67.05497	88.4
69.06717	2.0
69.07060	20.9
69.38856	15.6
71.04969	3.7
73.06545	3.3
77.03844	2.2
79.05487	90.8
81.03412	9.6
81.07050	83.8
83.04980	13.5
83.08604	10.8
85.02874	1.5
85.06530	3.8
91.05469	69.6
91.45204	1.7
93.07033	100.0
94.97989	1.5
95.04955	27.4
95.08594	53.4
97.06527	6.5
97.10152	4.1
103.05431	1.6
105.04529	1.8
105.07022	56.1
107.04978	7.6
107.08583	34.0
109.06520	6.9
109.10162	14.8
111.08077	4.4
113.09680	1.9
115.05476	1.6
117.07003	15.0
119.08564	31.0
121.06488	2.2
121.10126	18.3
123.08053	6.4
123.11684	4.1
125.09621	2.1
127.07534	2.0
128.06203	4.9
129.06982	17.1
131.08560	14.5
133.06413	1.6
133.10115	18.0
135.11678	13.0
137.09578	2.0
143.08514	11.5
145.10106	17.5
147.07997	3.0
147.10510	2.3
147.11662	42.6
149.13248	6.7
155.08539	3.5
156.09299	2.2
157.10168	3.7
159.11655	8.3
161.09573	4.6
161.13258	15.1
163.14786	3.1
169.10109	3.0
171.11667	35.4
173.13292	5.8
177.12721	2.2
185.13303	2.0
187.14786	3.8
189.12749	12.7
197.13142	2.0
199.14751	2.4
207.13782	30.2
212.75684	1.5
243.21033	3.0
261.22101	10.9
273.18533	2.0
279.16006	4.2
281.17429	65.2
311.23544	1.5
317.24765	2.3
335.25769	68.8
449.34219	3.2
467.35086	3.2
485.36264	2.8
523.38361	3.2
527.37201	3.3
541.38843	85.7
542.39270	1.9
559.40326	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	560.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32059	0.2
50.82736	0.2
51.02374	0.2
53.03931	0.3
55.01841	0.4
55.05505	2.2
57.07059	2.1
61.02906	0.2
65.03945	0.4
69.03413	1.0
69.94974	1.3
71.04963	0.3
73.02875	0.3
79.05463	0.3
81.03410	1.2
85.02895	2.7
87.00814	0.8
91.05469	0.3
95.08584	0.3
97.02874	0.8
98.21240	0.6
99.04477	0.5
105.01865	0.8
105.06145	0.2
109.02855	0.5
121.02859	2.1
127.03914	1.5
128.25172	0.3
134.41399	0.2
145.04962	0.5
149.02328	100.0
150.02644	0.7
167.03424	1.9
188.39931	0.2
190.04999	1.1
203.07037	0.3
205.08588	24.6
206.09023	0.2
221.08110	1.3
231.04819	0.4
263.52618	0.2
277.14331	12.2
295.15399	0.9
318.78137	0.3
549.31677	0.3
560.36096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01830	0.2
55.05497	2.3
57.03417	0.3
57.07065	2.7
59.39782	0.2
61.02907	0.2
65.03928	0.7
69.03414	1.0
69.82405	0.5
69.82833	0.7
71.04955	0.2
73.02892	0.3
73.06515	0.2
79.05457	0.3
81.03392	0.9
81.07033	0.3
85.02891	2.8
87.00805	0.9
93.03358	0.2
93.07000	0.2
97.02863	1.0
99.04449	0.3
105.01847	0.7
109.02857	0.9
121.02825	1.9
121.03657	0.2
121.03886	0.2
121.10122	0.2
127.03889	1.4
128.94029	0.2
145.04900	0.3
147.02838	0.2
149.02315	100.0
150.02663	0.5
159.02837	0.5
162.52672	0.2
163.82307	0.2
167.03375	2.3
190.04944	1.0
203.06953	0.5
205.08569	22.8
216.78209	0.2
221.08009	1.2
223.09671	0.3
277.14304	11.3
278.15103	0.2
295.15369	1.3
363.34888	0.2
570.72852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1599
Annotation	Cassiaoccidentalin A
Peak:m/z	Relative Intensity
53.03912	0.6
55.01844	0.7
55.05474	1.4
57.03434	4.0
57.07586	0.4
61.02907	0.8
65.97596	0.3
67.04540	0.3
67.05467	1.4
68.99780	0.4
69.03386	1.2
69.07032	1.4
70.06601	0.3
71.04984	25.9
73.02879	0.7
74.71277	0.3
75.04447	0.7
75.59612	0.4
79.05451	1.4
81.03383	0.8
81.07048	2.3
83.04943	1.1
83.08559	0.4
84.08088	0.4
85.02893	24.1
86.48263	0.3
87.04436	0.6
87.35014	0.3
87.65150	0.4
91.05466	1.1
93.07000	1.3
95.04926	1.0
95.08566	1.3
97.02834	1.0
97.06487	1.6
98.21515	0.6
102.77235	0.3
103.03921	0.4
105.07027	1.7
107.04937	0.7
107.08561	1.5
109.02864	2.4
109.06459	0.8
109.10107	1.2
111.04398	0.7
117.06969	0.8
119.08565	1.7
119.09296	0.4
121.02798	0.9
121.06481	0.6
121.10098	1.3
123.08050	0.4
125.09613	0.7
127.03872	1.1
129.04604	0.4
129.05475	5.7
131.08507	1.1
133.06552	0.4
133.10077	1.3
135.07970	0.6
137.02284	1.0
137.05946	0.5
139.03827	0.6
143.08490	0.5
143.72914	0.3
145.04974	0.4
145.10072	1.1
147.06496	0.7
147.11642	1.0
149.09615	0.6
153.01816	5.4
155.10605	0.4
157.10062	0.6
159.11636	1.2
161.13188	0.6
163.03877	0.7
165.01756	0.6
173.13239	0.6
177.05440	1.0
177.06836	0.4
179.03401	0.6
182.07220	0.3
185.13228	0.5
187.14734	0.9
189.05391	0.6
189.12694	0.4
197.13162	0.4
201.12714	0.4
201.16331	0.8
205.04916	3.7
206.05699	1.5
208.03625	1.7
217.04930	0.9
219.02856	7.1
233.04427	9.6
233.15411	0.4
234.05186	2.0
243.02846	0.8
244.03656	1.6
245.04399	1.7
247.02480	1.0
261.03925	5.9
262.04608	0.7
271.05865	0.4
273.03864	1.0
289.03394	14.2
290.04175	2.6
297.03870	0.5
301.03397	2.4
317.02881	8.3
318.03665	58.9
319.04340	4.3
331.04514	0.5
349.23941	0.5
351.22272	0.4
381.22910	0.8
397.09418	0.6
397.75693	0.4
399.10785	2.0
415.10187	100.0
416.10507	0.9
457.11212	0.6
529.16449	0.5
543.17657	0.7
543.33228	0.6
561.16980	0.4
561.30206	1.6
561.39764	1.3
572.84222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.9
53.03944	9.8
55.01872	17.4
55.05506	20.8
57.03433	21.3
57.07067	4.3
57.98574	1.1
61.02920	4.7
62.13881	1.2
65.03932	3.9
66.82606	1.0
67.01879	1.3
67.05499	80.8
68.18550	1.1
69.03422	47.2
69.07063	19.2
70.25044	4.2
71.04987	8.2
71.08611	1.4
73.02912	43.6
73.54344	1.3
75.04459	3.1
79.05131	0.9
79.05486	49.7
81.03409	35.2
81.07050	87.0
82.07372	1.6
83.04984	10.9
83.08605	10.6
85.02896	31.6
85.06540	4.4
89.29637	1.2
91.05467	33.0
93.03405	1.4
93.07034	57.6
95.04963	9.7
95.08598	72.9
96.35818	1.2
97.02879	13.7
97.06528	6.9
97.10172	5.7
99.04440	20.8
99.08072	3.4
101.06037	1.7
105.07017	27.3
106.07379	1.4
106.14609	1.1
107.04937	3.6
107.08588	34.7
109.02870	54.8
109.06533	3.7
109.10146	36.2
110.03641	8.0
111.04436	50.4
111.08097	4.8
117.07018	12.4
119.08569	19.9
121.06428	1.7
121.10133	31.1
123.08068	4.0
123.11691	16.8
124.99065	1.7
125.09622	2.3
127.03908	35.2
129.06990	2.8
131.08553	19.0
132.99525	18.4
133.10115	21.3
135.01094	1.3
135.08125	2.2
135.11678	22.7
137.09624	3.1
137.13258	4.4
139.11226	2.6
142.99992	1.4
143.08568	2.5
145.04951	1.6
145.10112	14.6
147.08069	1.5
147.11671	12.7
149.09618	4.7
149.13251	16.3
151.00624	7.2
151.11194	3.1
155.00087	2.5
159.11716	11.2
161.13263	9.7
163.11230	3.6
163.14772	8.6
163.51968	1.3
164.98456	1.7
165.12796	2.9
169.01717	2.2
171.11694	3.0
172.99097	4.3
173.13260	11.4
175.11157	1.9
175.14836	2.7
177.12772	2.0
177.16455	2.3
179.14355	2.2
187.14825	7.3
191.00089	25.0
191.14400	2.3
195.13765	1.7
197.13377	1.5
201.16345	2.2
205.15965	1.4
209.01176	9.5
209.11702	1.9
243.21075	12.5
257.18921	1.4
259.20651	2.8
261.22134	40.1
261.24805	2.5
265.03812	2.4
269.17538	2.2
275.19974	6.7
276.20444	1.6
277.21005	1.4
279.23199	3.7
289.21524	1.6
293.21011	2.0
303.23077	1.6
317.24786	5.6
333.24268	2.9
335.25775	38.5
335.29742	2.0
349.23676	2.1
377.27042	1.9
451.31760	2.1
469.23154	1.9
469.32993	2.6
487.34085	1.6
525.25916	1.3
525.35797	2.6
543.28583	2.2
543.36456	13.4
561.27289	100.0
561.37469	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23623	2.3
53.03941	4.2
55.01872	4.3
55.05505	28.4
57.03424	10.4
57.07059	5.8
65.03927	3.7
67.05164	4.6
67.05499	75.5
69.03410	3.4
69.07064	24.9
71.04979	7.3
71.08630	2.9
71.61908	3.0
74.98785	2.5
79.05484	62.4
81.03408	6.3
81.07048	86.2
83.04967	8.6
83.08599	17.1
85.02932	2.5
88.67459	2.4
91.05470	33.7
93.07036	89.7
95.04973	13.3
95.05456	2.3
95.08593	74.6
97.02901	3.3
97.06520	7.8
99.04436	2.7
105.07014	31.6
107.04948	10.4
107.08588	56.9
109.06535	7.7
109.10138	28.8
111.08144	4.4
117.06983	19.7
118.06364	2.4
119.08553	24.6
121.06474	6.3
121.10137	34.0
123.11691	8.7
125.09612	3.9
131.08572	17.0
133.10107	21.5
135.08026	3.4
135.11684	55.5
137.13300	2.8
145.10097	40.0
147.11656	6.3
149.09612	4.2
149.13234	7.9
151.11137	4.4
152.46620	2.3
155.08450	2.7
155.79221	2.5
157.10191	4.2
159.11720	5.9
161.13239	6.5
162.55811	2.6
163.11177	56.9
163.14821	4.2
171.11710	2.7
173.13300	8.5
177.12752	2.9
179.14389	6.0
181.12271	8.5
187.14746	3.5
227.12769	100.0
241.29962	2.6
243.21091	8.9
253.14342	3.2
261.22125	29.4
267.15781	3.5
269.17532	4.6
275.19916	5.5
277.21613	5.2
283.15353	39.4
291.19528	5.4
293.21143	4.4
317.24673	11.0
335.25778	99.7
335.43942	2.6
336.26266	2.5
469.32666	3.4
487.33679	3.3
526.81555	2.7
529.38867	5.5
543.36780	68.7
561.38885	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49643	1.0
53.03936	4.1
55.01863	10.7
55.05504	26.8
57.03432	10.1
57.07063	2.4
65.03928	5.1
67.05495	70.4
69.03430	3.7
69.06706	2.2
69.07062	30.2
71.04985	6.2
71.08619	1.7
71.62390	1.4
77.03873	1.2
79.05482	54.8
81.03416	7.0
81.07047	100.0
83.04967	12.2
83.08609	19.3
85.02905	2.8
85.06544	4.2
91.04892	2.0
91.05470	52.6
93.07035	64.0
95.04953	15.0
95.08595	42.3
97.06532	16.2
97.10142	7.3
99.08092	3.8
103.05486	1.9
105.04532	1.2
105.07018	42.9
107.04948	9.7
107.08579	39.9
107.09275	2.2
109.06508	12.0
109.10138	17.8
111.08074	8.0
113.05955	1.5
115.05424	1.4
117.07008	18.6
119.08567	34.8
121.06507	5.0
121.10134	28.4
121.11001	1.7
123.08045	7.3
123.11689	8.4
125.09609	5.1
127.07546	1.2
129.07010	7.1
131.08546	24.6
131.89474	1.2
133.06485	2.8
133.10110	28.3
135.08055	6.3
135.11676	13.2
137.09633	4.3
139.11156	2.7
141.06992	2.7
142.07848	1.6
143.08546	6.8
145.10107	20.0
147.08008	2.0
147.11676	18.6
149.09613	11.0
149.13246	18.4
151.11168	4.8
155.08546	3.7
157.10098	10.1
159.08041	1.9
159.11679	19.4
161.09587	3.6
161.13258	7.0
163.11179	6.8
165.12749	5.1
167.08525	2.1
169.10104	5.3
171.11664	8.5
171.69998	1.2
172.95035	1.1
173.09636	2.1
173.11902	1.5
173.13293	6.6
175.11136	2.8
175.14761	1.5
177.12769	4.7
179.14296	1.8
181.10130	2.6
183.11668	5.4
185.13240	4.7
187.11150	2.8
187.14769	2.7
189.11183	1.7
189.12714	1.8
191.14336	1.8
193.12259	2.2
195.11882	2.8
195.13823	9.0
197.13249	4.5
198.41972	1.2
199.11305	1.1
199.14865	1.8
201.12708	2.3
209.11630	2.9
209.13457	1.8
211.13057	1.4
211.14949	1.6
213.14690	2.3
213.16528	2.1
215.14201	1.3
225.16376	1.2
227.12755	4.1
229.14326	2.5
229.19475	1.9
239.17989	2.9
247.20531	4.5
253.14270	2.9
257.16473	1.1
257.18906	7.1
259.20480	2.2
267.15759	7.0
269.17441	29.2
269.20126	2.2
271.20355	1.6
275.20041	45.5
277.21625	3.5
283.15121	1.4
293.21100	5.4
299.23657	1.6
301.21655	2.8
313.21875	1.5
315.23065	2.2
331.22623	1.6
349.23721	20.5
352.11942	1.4
365.23355	1.9
389.26904	1.4
431.28122	2.3
433.30673	3.5
451.32077	5.6
463.30444	10.2
469.32938	6.0
487.34396	2.4
515.37177	2.5
517.36108	1.3
525.35883	8.2
543.36731	53.6
544.36859	2.8
561.38104	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	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
53.27061	1.5
53.47878	1.5
55.01865	10.4
55.05503	30.8
57.03431	10.8
57.07067	2.4
65.03912	3.0
67.05495	77.0
68.66431	1.6
69.03413	3.6
69.07060	32.8
71.04978	7.6
71.08622	2.6
71.64315	3.1
79.05486	56.4
81.03394	10.8
81.07048	100.0
83.04966	11.1
83.08601	21.1
83.58163	1.8
85.02895	2.6
85.06515	5.5
91.05466	47.0
92.05778	1.9
93.07030	64.9
94.07371	2.0
95.04951	17.5
95.08598	47.5
97.06515	22.7
97.10162	6.8
99.08076	4.9
105.07017	46.8
107.04956	7.8
107.08584	34.7
109.06504	10.0
109.10143	24.0
110.05843	2.0
111.04423	3.8
111.08076	7.5
113.05986	1.9
115.05447	3.0
117.07015	20.7
119.08572	35.9
120.95343	1.9
121.06515	6.1
121.10138	24.7
123.04422	1.8
123.08034	10.1
123.11673	7.2
125.09611	6.8
128.06204	2.5
129.06966	10.0
131.08542	31.4
133.06526	3.3
133.10117	30.7
135.08047	8.3
135.11697	17.2
135.73689	1.7
137.09599	4.3
139.11163	2.5
141.07005	3.0
143.08510	8.3
144.09380	2.0
145.10094	18.4
147.07982	5.4
147.11656	19.1
149.09567	14.4
149.13232	15.6
151.11148	4.8
155.08548	3.8
157.10118	9.4
159.08064	2.0
159.11671	20.3
161.09645	3.3
161.13228	9.1
163.11169	7.5
163.14833	1.8
165.12717	4.4
167.08536	3.2
169.10152	6.0
171.11699	7.0
173.13280	9.4
175.11189	2.5
175.14894	2.0
177.12715	5.0
179.14359	2.2
181.10008	1.8
183.11644	7.3
185.13258	7.4
187.14799	4.4
189.12695	2.5
190.96159	2.6
193.12238	2.5
195.11617	3.2
195.13774	5.3
197.13219	4.7
199.14763	4.5
209.11584	4.4
211.14838	2.5
221.13341	2.8
227.12740	6.3
229.14343	1.8
239.17999	1.9
245.13513	2.7
247.20586	3.3
253.14330	4.0
257.18970	7.3
259.20514	2.9
267.15839	7.9
269.17474	23.5
275.20010	44.5
277.21503	5.1
283.15536	2.2
291.19662	2.7
293.21121	6.1
327.22589	2.1
339.23129	2.7
349.23590	17.1
353.24728	1.9
423.32849	2.4
433.30496	5.6
447.30984	2.6
449.28705	1.9
451.31998	7.9
463.30426	11.1
469.32974	10.0
485.32526	2.4
515.36761	2.0
525.35706	14.0
529.37732	4.3
543.36755	66.9
561.38000	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03930	4.7
55.01867	3.7
55.05504	26.3
55.69163	1.6
57.03425	4.1
57.07062	4.6
62.53706	1.4
65.03930	4.5
66.70099	1.7
67.05498	91.9
69.07053	22.9
70.75848	3.5
70.76195	1.9
70.76408	1.3
71.04984	46.4
73.85484	1.4
79.05482	58.3
81.03424	2.4
81.07044	100.0
83.04958	8.6
83.08601	11.8
85.06544	6.4
91.05468	66.0
93.07030	64.3
95.04946	11.9
95.08595	45.8
97.06500	11.0
97.10177	4.2
98.20914	2.0
99.08099	2.3
102.15102	1.4
103.05460	1.6
105.07023	39.4
107.05003	2.4
107.08579	36.0
109.06516	4.6
109.10136	18.0
110.15534	1.5
111.08115	2.8
113.69126	2.1
115.05464	2.1
117.06981	12.7
119.08569	22.4
121.06566	1.6
121.10120	23.1
123.08112	4.4
123.11692	13.6
123.37506	1.6
128.06284	1.5
129.07030	5.2
131.08549	20.1
133.10107	29.9
135.11670	17.2
143.08640	3.5
145.10092	16.5
147.11649	11.0
149.13232	10.5
151.11156	8.7
154.29808	1.5
155.08597	2.6
157.10139	5.6
159.11699	15.7
161.13269	10.3
171.11731	4.7
173.13307	7.1
175.14890	2.6
177.12750	2.9
183.12192	2.3
183.13789	12.4
184.14035	1.7
185.13292	2.6
187.13330	3.3
187.14862	2.9
195.13850	4.1
199.14865	2.5
202.27444	1.5
236.74786	1.5
253.18030	2.3
259.20624	1.6
261.22275	2.9
265.02673	1.6
269.17505	3.6
283.19061	3.3
285.17081	3.3
289.21564	2.8
317.25165	1.8
349.27167	2.2
361.27533	2.2
396.95999	1.6
419.32962	2.1
437.34320	4.2
455.35333	2.1
511.38226	4.4
517.38928	20.8
529.38861	48.7
561.41595	86.4
562.41437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46908	1.4
51.21024	1.7
53.03954	4.6
55.01865	4.2
55.05508	25.9
57.03429	6.7
57.07072	3.9
59.05007	2.2
65.03941	4.6
67.05498	96.5
69.03446	2.0
69.07066	24.2
69.41666	3.9
69.42067	15.2
71.04984	43.5
71.05351	2.8
71.08611	1.8
79.05484	61.7
81.03413	3.3
81.07048	100.0
83.04984	6.4
83.08609	15.2
85.06561	5.2
87.41690	1.6
91.05470	59.1
93.07031	72.4
95.04946	13.2
95.08598	56.3
97.06541	9.2
97.10171	5.8
99.04472	2.6
99.08117	2.3
105.07018	43.6
107.04958	3.9
107.08581	43.2
107.09277	3.0
109.06532	5.6
109.10152	23.5
111.08082	5.9
117.07005	15.0
119.08575	25.7
121.10129	28.0
121.10888	2.3
123.08079	2.9
123.11700	19.0
125.09645	4.7
129.07069	5.1
130.89951	1.7
131.08551	20.9
133.10114	34.4
134.58527	1.6
135.08081	4.5
135.11676	26.9
137.09619	2.8
139.11247	1.7
143.08633	5.2
145.10100	20.1
147.08122	2.4
147.11681	13.7
149.09659	3.3
149.13220	12.0
151.11124	12.5
155.08664	1.7
156.97693	1.8
157.10136	7.5
159.11676	17.5
161.13281	8.1
163.11160	11.3
163.14867	4.5
164.15363	1.8
169.10162	1.9
171.11713	3.8
173.13185	8.0
175.11336	2.2
177.12852	5.3
179.14349	2.6
181.10240	2.0
181.12297	2.4
183.11763	2.6
183.13753	12.0
185.13284	4.2
187.13312	3.1
187.14880	5.2
195.13742	3.6
197.13388	2.3
199.14922	2.1
227.12778	21.6
227.14536	1.9
231.17465	1.9
253.14343	4.6
253.17897	2.1
259.20776	3.3
261.22299	6.3
269.17694	4.2
275.20190	6.7
283.15494	8.4
283.18668	1.8
285.17023	2.3
289.21732	2.4
291.19571	2.9
293.21103	3.1
317.24738	2.9
335.25827	18.4
349.23819	2.0
437.34485	5.9
511.38132	3.3
517.38885	22.4
529.38879	43.4
543.36450	13.3
561.41498	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	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07841	1.2
53.03934	4.1
55.01850	1.4
55.05500	17.4
57.03424	4.1
65.03931	2.4
67.05499	58.8
69.03442	2.2
69.07059	13.8
71.04985	41.8
71.08617	1.4
71.63563	1.7
71.64030	2.4
71.87759	1.3
79.05481	44.0
81.03417	2.8
81.07050	70.3
83.04981	8.0
83.08612	10.1
85.06543	4.6
87.34447	1.4
91.04899	1.4
91.05468	45.5
93.07035	47.6
93.07616	2.7
95.04974	7.9
95.08596	31.2
97.06519	6.8
97.10184	4.9
99.08100	2.4
105.07018	28.0
107.04948	2.2
107.08582	26.5
109.06505	3.4
109.10143	12.8
111.08091	3.2
117.07027	10.0
119.08561	12.4
121.10129	20.4
123.08103	2.5
123.11690	15.2
125.09650	2.9
129.07060	1.4
131.08533	14.1
133.10117	22.5
135.11676	12.0
139.11221	2.3
143.08540	2.7
145.10104	8.2
147.11699	6.7
149.13248	9.7
151.11185	11.4
157.10109	2.1
159.11673	13.1
161.13307	4.2
163.11249	2.7
169.10077	1.6
171.11688	3.1
173.13326	4.5
177.12677	3.4
179.14366	2.7
183.13786	14.7
186.41730	1.5
187.13348	3.1
187.14865	2.4
195.13754	7.0
196.87756	1.4
197.13173	1.5
227.12852	2.2
253.47374	1.4
259.20529	2.0
261.22281	3.7
269.17569	2.7
275.20087	3.8
277.14435	1.5
277.21722	2.0
283.19165	4.3
285.17120	3.7
317.24973	1.5
335.25842	1.8
349.23849	1.5
361.27408	2.9
363.25702	2.2
395.92059	1.3
473.74594	1.6
517.38843	23.4
529.38824	12.3
543.36786	8.4
561.41382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01851	7.6
55.05505	10.4
57.03427	7.5
57.07081	2.0
61.02908	3.6
65.03914	1.4
67.05495	37.0
69.03419	6.5
69.07060	10.9
69.84454	8.3
71.04984	5.1
73.02892	1.3
75.60740	1.1
79.05484	21.4
79.72138	1.2
81.03399	4.9
81.07047	36.4
81.76468	1.2
83.04965	6.6
83.08606	5.8
85.02897	7.3
85.06526	5.9
87.04465	1.5
91.03974	1.8
91.05470	34.1
93.07034	20.9
95.04956	8.2
95.08595	10.6
97.02875	3.4
97.06508	3.9
97.10133	1.2
98.21449	1.3
99.04446	1.9
105.07017	30.2
107.04924	6.3
107.08582	23.9
109.06501	6.5
109.10146	44.7
109.10918	2.1
111.04424	1.5
111.08067	3.0
117.07030	5.7
119.08557	8.4
121.06493	4.6
121.10123	6.6
123.08047	2.8
123.11700	7.6
127.03870	1.7
127.07489	2.4
129.06976	3.6
131.08516	8.1
133.06496	3.6
133.10117	48.5
135.08052	6.1
135.11682	3.2
137.09592	1.9
139.07533	1.3
140.35207	1.4
143.08537	3.4
145.05048	1.6
145.10129	5.3
147.08093	1.8
147.11632	3.0
149.09595	5.2
151.11160	27.0
157.10098	3.2
159.08057	1.9
159.11681	2.4
161.09596	5.6
161.13213	1.5
169.12189	5.9
171.11745	1.8
175.11153	1.9
177.09146	2.7
179.10698	1.9
189.12758	1.9
215.12730	3.1
227.18047	1.6
245.19135	2.4
253.14317	96.1
263.20099	4.0
267.15924	2.5
269.13815	1.7
271.15375	12.6
273.18475	11.9
280.62311	1.2
285.17001	2.7
291.19553	14.0
338.90286	1.2
347.22183	8.4
365.23199	100.0
381.26028	1.4
383.24179	3.6
477.28284	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01864	4.6
55.05257	1.2
55.05505	17.7
57.03428	6.9
59.04997	0.7
61.02905	1.8
65.03951	0.9
67.05169	1.5
67.05499	21.6
69.03417	7.5
69.06721	1.0
69.07064	16.6
70.16138	3.4
71.04975	1.8
73.02901	1.2
74.56485	0.7
79.05483	15.9
81.03407	25.3
81.07040	17.1
83.04973	5.6
83.08611	12.5
83.80103	0.6
85.02892	6.7
85.06515	1.0
91.03949	0.6
91.05465	14.4
93.07029	12.5
95.04964	12.3
95.08595	7.9
97.02877	7.6
97.06535	3.7
97.10158	10.8
99.08060	1.0
105.07021	10.5
105.08092	0.7
107.04955	6.4
107.08585	10.8
109.02861	1.0
109.06484	3.6
109.10147	5.9
111.04408	1.0
111.08047	3.2
115.05415	1.4
117.07003	4.6
119.08572	12.5
121.06495	2.5
121.10120	4.3
123.04430	1.2
123.08037	2.8
125.09603	8.3
129.06989	4.9
131.08539	6.6
133.06450	3.3
133.10086	4.4
134.07265	0.8
135.08032	3.1
135.11671	1.6
137.05960	0.8
137.09581	1.9
139.03856	2.2
143.08569	3.4
145.06487	1.7
145.10065	3.6
147.08020	4.5
147.11668	5.3
149.09572	2.1
149.13235	1.4
153.09128	1.3
157.06413	0.9
157.10097	4.0
159.08055	0.8
159.11630	2.0
161.09599	1.5
163.03882	1.3
163.11197	1.7
165.09134	0.8
165.12711	1.2
169.10191	0.9
171.11629	1.3
175.11163	4.4
177.12721	1.2
189.11230	5.1
193.12213	10.9
205.12170	1.6
211.13263	5.5
223.13258	13.8
225.34254	0.7
226.10216	0.7
227.12784	2.8
233.15401	0.7
245.18945	0.9
249.14815	2.2
267.15869	22.4
273.18405	7.6
285.16898	13.5
291.19507	67.7
292.19882	1.1
297.16876	0.8
347.21997	2.6
365.23181	100.0
366.23599	1.3
367.22641	2.0
385.23672	2.4
422.20984	0.8
429.21405	1.0
433.25647	2.9
441.26221	0.9
459.27322	11.0
477.28455	9.6
527.28522	1.2
545.23999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.0
53.07967	1.3
55.01860	4.0
55.05503	14.9
57.03432	11.9
62.42168	1.2
67.05164	1.7
67.05502	25.4
69.03414	6.0
69.07069	10.8
71.04972	5.4
71.63551	2.1
79.05487	24.9
81.03409	90.3
81.07050	24.8
83.04979	12.1
83.08616	23.8
85.02875	10.6
85.06538	2.2
89.91642	1.5
91.05471	25.7
93.07043	15.1
95.04965	27.6
95.08593	9.8
97.02880	6.8
97.06503	5.6
97.10150	6.6
99.08124	1.5
105.07018	19.6
107.04945	10.1
107.08597	12.4
109.06496	6.4
109.10128	7.3
109.73152	1.4
111.04474	2.2
111.08054	10.0
113.05953	1.7
117.06997	3.9
119.04945	1.8
119.08574	20.6
121.06503	3.3
121.10143	9.7
123.04491	2.0
123.08060	2.8
123.11695	1.9
125.09611	6.2
128.06200	1.8
129.06993	13.0
131.08569	11.7
133.06459	4.1
133.10118	12.1
135.08029	3.3
137.09621	2.1
139.03862	5.1
140.49944	1.4
142.07768	2.7
142.53453	1.7
143.08490	2.4
145.06439	4.4
145.10132	4.7
147.08026	6.1
147.11693	14.0
149.09592	8.3
149.13234	1.6
157.10126	14.4
163.03845	3.6
163.11145	1.6
164.05998	1.5
165.12802	1.7
169.10104	1.8
171.11696	1.5
173.06079	1.4
175.11165	15.6
185.13173	1.5
189.11284	3.0
193.12228	36.4
205.12305	1.8
211.11212	2.5
211.13223	20.4
223.13206	4.2
227.12396	1.4
237.13068	1.5
249.14864	2.4
255.13695	2.5
267.15884	100.0
273.14716	3.8
273.18634	1.6
285.16925	23.2
291.19443	13.9
292.63345	1.8
349.11432	1.7
349.21451	3.5
360.85971	1.5
365.23166	17.5
367.22675	11.5
385.23746	12.0
403.24725	3.1
405.24216	1.6
421.00772	1.7
433.25958	10.2
441.26337	5.9
459.27365	57.4
477.28433	47.1
477.34760	1.3
562.38104	2.1
563.26215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1754
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03927	2.8
54.44168	2.4
55.01856	3.3
55.05495	10.9
57.03419	11.3
67.05485	8.0
69.03408	2.7
69.07046	4.6
69.72114	2.7
71.04989	68.7
71.61721	4.1
73.02902	4.2
78.25727	2.4
79.05482	4.6
81.03426	3.4
81.07065	13.2
83.04990	12.0
84.08135	22.9
85.02416	4.5
85.02895	67.2
91.05471	6.2
93.07047	5.6
95.04969	3.0
95.08585	9.8
97.97059	3.1
101.79271	2.6
105.07012	8.7
105.90879	2.7
107.08579	6.3
109.02843	4.1
109.06538	3.7
109.10114	7.7
111.04424	2.5
111.08015	2.3
119.08548	11.4
121.10110	5.6
123.04373	4.2
123.08036	2.8
123.11687	5.2
129.05504	13.8
130.08578	2.7
133.10110	7.6
135.11646	3.0
139.03810	4.0
145.06430	3.4
145.10115	4.0
147.11644	4.0
153.01796	12.7
157.09950	3.1
159.11636	5.0
161.09674	3.2
163.03893	3.0
179.03311	2.4
197.13260	2.5
199.14897	4.1
201.05669	3.0
203.07161	4.0
237.02776	4.8
259.05997	4.4
271.05890	3.1
283.09717	3.8
285.03906	3.6
287.05344	12.0
289.03131	2.7
297.03888	4.9
301.03497	5.6
303.05014	4.5
311.05411	3.7
311.09036	7.6
313.03415	32.5
314.04153	9.5
315.05054	3.5
327.04819	3.2
329.10052	15.0
339.08588	20.1
355.08176	16.8
356.08981	13.2
357.09628	37.2
367.07990	9.8
385.04297	5.9
385.09128	100.0
399.10623	10.3
401.33652	13.8
403.33395	4.3
417.11777	90.5
563.21954	3.7
563.35608	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	563.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01883	0.9
55.05488	1.5
57.03412	1.0
58.41552	0.5
61.01141	1.7
61.02898	0.5
66.13982	0.5
67.05493	1.2
68.99775	1.3
69.03426	2.5
69.07046	1.4
71.03407	0.9
71.03745	0.7
71.04978	1.7
72.04505	4.9
72.08128	0.8
73.02900	1.4
78.03788	2.8
79.05466	1.4
81.03404	1.2
81.07036	4.4
83.04974	1.0
83.41039	0.6
85.02904	2.9
85.06533	1.1
86.06057	2.8
86.09691	0.8
86.27694	0.5
88.02206	3.8
91.05475	1.0
93.07046	1.0
94.09019	0.5
95.04938	1.2
95.08607	0.8
97.02859	2.5
97.06508	0.5
97.10157	0.6
98.06056	1.2
99.04486	1.1
99.05548	1.7
99.08054	0.6
102.03756	3.9
103.05378	0.6
105.07007	1.6
107.08574	1.3
109.02882	0.8
109.06480	0.6
111.04441	1.3
113.05967	0.6
114.03780	1.2
115.08681	4.4
117.07016	0.6
119.08527	1.1
120.04830	0.6
121.10140	0.5
123.04408	1.5
124.07554	0.8
127.03887	2.4
131.06334	3.1
132.04773	5.4
133.10132	0.9
137.02383	0.5
137.05963	4.8
139.03896	2.8
141.06973	2.9
142.08615	2.4
145.04907	0.9
147.04393	1.5
149.07419	19.2
153.01842	1.1
155.04840	1.2
159.05853	1.8
167.07034	0.7
167.10686	0.6
168.05661	0.8
169.06480	2.9
175.05376	0.9
178.04967	11.8
179.04890	0.9
179.07050	0.6
181.06511	0.6
183.04385	1.6
184.09671	1.5
186.06754	1.2
187.07521	1.4
196.05141	1.4
197.05957	13.8
199.09615	1.4
211.07520	1.3
213.05368	2.8
214.06232	6.3
215.07007	1.5
217.08524	0.8
224.04637	0.6
225.05443	15.2
226.06221	2.1
227.13921	0.9
228.04073	0.8
229.04987	0.9
229.08591	1.1
230.86995	0.5
232.05981	1.9
239.07115	0.9
242.05702	14.6
243.06491	2.8
243.11716	0.6
253.04945	17.3
253.07562	1.2
254.05627	1.3
257.05392	0.7
257.08023	5.1
261.12662	38.4
270.05182	15.5
283.06015	0.8
285.07541	100.0
286.07846	0.6
301.07675	0.6
302.10242	1.2
303.04916	13.0
303.10464	0.6
309.51443	0.6
314.10245	1.2
315.30243	0.6
356.11160	8.8
401.12180	1.0
417.11011	1.9
433.14261	4.5
445.08701	0.7
545.19598	4.0
563.19574	1.0
563.30157	1.6
563.36584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2094
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
66.00822	0.3
69.59940	0.2
70.06590	0.2
70.92625	0.3
70.92970	0.3
71.89764	0.2
72.08137	0.2
83.01102	0.9
84.01881	0.3
84.04498	0.2
85.02942	0.2
95.01081	1.5
96.01855	0.9
96.72456	0.2
97.02674	0.3
107.04288	0.2
107.04954	0.4
111.00723	0.2
111.49445	0.2
112.01357	0.6
113.02120	2.4
123.04401	0.4
126.02887	0.2
127.03896	0.2
131.04921	0.4
139.03854	0.4
141.05241	0.2
145.04909	0.2
147.04390	0.6
151.03880	0.2
157.04730	0.7
159.04185	0.7
161.05934	0.2
163.03969	0.3
163.07561	0.3
167.03203	0.5
167.11092	0.2
185.04228	3.9
185.05725	0.3
189.05385	0.9
199.47838	0.2
201.03636	1.0
203.05234	1.0
204.07568	2.9
205.08505	0.2
221.07816	0.2
247.19510	0.2
273.07550	0.5
285.07709	0.2
337.12643	0.2
351.10571	0.4
352.10135	0.2
365.12064	1.4
366.12878	0.7
367.12531	0.3
381.11792	0.2
401.15555	0.5
475.62238	0.2
531.28412	0.2
563.20935	100.0
564.21234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08245	0.2
54.90181	0.2
57.31698	0.2
68.99789	0.5
69.03425	0.4
70.58067	0.6
70.58427	0.4
74.58743	0.2
75.50787	0.2
85.02883	0.8
91.05460	0.7
95.04971	0.5
107.04947	9.7
111.00787	0.5
119.04930	5.7
121.02872	0.6
123.04417	3.0
127.03896	0.6
129.05498	0.2
133.06511	0.7
135.04437	0.3
139.03883	3.7
145.06494	1.1
147.04396	5.7
149.02350	0.7
151.03897	1.0
157.06555	0.3
161.05997	0.6
163.03931	0.9
165.05428	0.5
167.03413	1.7
170.97285	0.2
171.04311	1.5
175.03670	2.1
179.03313	1.3
181.06500	0.3
185.04286	0.3
185.05939	0.4
187.07541	0.6
189.05437	1.0
191.03371	1.3
193.04953	0.3
197.05986	0.3
199.07593	0.5
201.05455	0.4
203.03429	1.1
203.05177	0.3
204.07556	2.7
205.08368	0.3
213.05452	0.6
219.06288	1.1
221.43237	0.2
227.06975	0.4
229.05110	0.7
231.06485	2.5
233.04404	0.5
243.06546	0.9
245.04393	0.7
245.08131	0.5
255.06529	1.3
257.04413	1.3
267.06537	0.9
269.04352	0.3
273.07559	3.7
275.05484	2.1
285.07596	2.5
287.05478	2.8
291.08597	2.0
299.05515	0.5
337.38242	0.2
351.10458	3.8
352.10156	0.7
363.10385	0.3
365.12033	3.4
367.12225	0.3
369.10098	0.3
372.58340	0.3
385.13278	0.4
393.09668	2.4
395.11420	0.6
401.15707	9.9
409.09085	0.9
411.10797	0.9
452.96243	0.3
563.20929	100.0
564.20972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.01864	17.5
55.05505	36.4
56.96548	5.2
57.03424	34.0
59.04976	4.2
61.02620	6.3
61.02917	59.8
65.03929	4.4
67.05493	51.9
68.05827	3.4
69.03414	46.0
69.07063	37.9
71.01340	5.6
71.01965	6.9
71.04977	12.1
73.02906	34.6
77.92062	3.8
79.05481	62.2
81.02969	5.6
81.03411	56.7
81.06569	4.9
81.07048	100.0
83.04960	15.3
83.08610	19.8
85.02892	83.0
85.06535	4.6
86.09683	5.4
91.03937	40.9
91.04947	6.2
91.05470	66.0
93.07038	66.8
95.04948	36.0
95.08598	38.6
97.02885	59.3
97.06515	7.9
97.10164	10.6
99.04438	10.6
101.02362	19.9
103.03926	5.9
105.07016	52.4
107.04951	22.1
107.08591	38.4
109.02879	21.5
109.06494	18.1
109.10116	20.8
111.04414	12.1
111.08083	10.4
115.03868	6.2
115.05423	6.4
117.01003	3.8
117.07011	23.7
119.08572	54.2
121.06483	15.2
121.10132	32.0
123.04430	13.3
123.08045	34.0
123.11667	3.3
124.83859	3.9
125.09615	10.7
127.03909	30.1
128.06133	6.1
129.06975	19.6
131.08548	34.7
133.06491	6.1
133.10136	28.1
135.04398	4.4
135.08052	16.7
135.11681	14.8
137.05956	5.5
137.09599	11.0
139.03900	19.0
143.08533	21.0
145.02869	3.5
145.04970	14.1
145.06458	4.3
145.10120	34.7
147.08046	19.3
147.11694	18.2
149.09595	27.2
151.11174	6.4
157.10124	21.3
159.06540	4.0
159.07997	4.8
159.11717	18.1
161.09589	19.5
161.13217	4.4
163.03914	36.8
163.11145	26.7
165.12796	4.0
169.10088	4.8
171.08073	3.6
171.11662	12.7
173.09607	5.7
173.13220	8.1
175.11168	13.1
183.06546	5.9
184.07300	6.5
185.09627	5.4
185.13173	8.3
189.11156	10.5
189.12746	6.5
193.12196	10.5
194.12601	4.9
195.11649	5.8
197.07260	15.1
199.11098	5.8
203.14256	3.7
211.13147	5.0
211.14955	3.8
213.12730	5.8
213.16374	4.3
223.13229	6.7
227.12640	4.2
227.17952	8.6
231.10120	4.2
237.16350	6.4
245.18980	9.8
251.08522	14.6
251.58687	3.7
253.14345	5.1
254.14775	6.0
255.17336	15.9
267.15915	9.4
268.16193	13.5
273.18463	77.5
281.16611	6.0
285.17023	6.3
291.14984	4.7
291.15686	4.5
291.19501	90.8
292.12512	13.7
292.62601	12.1
309.07532	3.9
309.16159	40.8
327.17230	10.6
347.22205	13.8
365.23221	6.0
366.23486	4.5
383.19733	35.8
385.23627	5.3
395.22504	4.0
401.20828	75.4
413.23154	11.9
429.20325	4.1
433.76929	3.7
437.83099	4.1
460.27591	18.2
478.28607	12.3
485.32797	3.7
504.29361	4.7
524.81250	3.7
527.23822	6.9
541.28198	4.6
545.24518	16.8
559.29108	8.2
563.25909	35.5
563.34576	5.9
577.30371	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	563.2669
Annotation	Protoporphyrin
Peak:m/z	Relative Intensity
55.05501	0.7
57.03411	0.4
67.05488	1.0
69.03424	0.7
69.07063	0.7
70.06573	0.3
71.04984	0.8
76.63620	0.2
78.83157	0.2
79.05499	0.8
80.20586	0.2
81.03411	0.6
81.07040	1.3
83.08607	0.4
84.08128	1.0
85.02897	1.3
91.05495	0.7
93.07022	0.7
95.04964	0.7
95.08601	0.7
97.02885	0.5
97.06544	0.6
98.21527	0.6
105.07025	0.7
107.08598	0.7
109.06490	0.3
109.10210	0.4
111.08085	0.3
117.07024	0.3
118.57031	0.2
119.08585	0.7
121.10133	0.4
123.08066	0.6
125.09586	0.6
135.08000	0.3
135.11687	0.6
137.06046	0.3
139.03889	0.8
145.10136	0.6
147.11700	0.5
151.07590	0.3
153.01788	0.3
158.99559	0.2
161.09602	0.5
163.03935	0.4
167.06995	0.5
185.04202	0.4
203.05403	0.3
273.18649	0.4
291.19476	0.7
305.08530	0.7
313.16254	1.0
317.05380	0.2
347.09549	1.5
363.09134	0.8
365.10452	5.8
365.14679	0.4
365.23309	0.9
378.46518	0.3
399.11044	0.5
401.21454	0.7
401.34100	0.3
417.11157	1.2
475.21466	33.7
476.21582	0.5
540.02625	0.3
563.26678	100.0
564.27057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33805	2.0
52.03625	2.2
53.03934	4.6
53.46222	2.3
55.01860	9.0
55.05259	2.8
55.05507	40.3
56.96561	3.0
57.03424	10.1
59.04995	2.5
65.03922	3.3
66.66079	2.1
67.05496	92.0
68.48176	2.1
69.03418	5.6
69.07060	27.4
69.24427	2.0
71.04968	8.1
71.08591	2.2
73.02920	4.3
74.12884	2.2
79.05058	3.2
79.05481	50.3
81.03400	22.8
81.06567	4.8
81.07049	100.0
83.04974	13.2
83.08609	29.5
85.02898	7.1
85.06535	6.0
91.05469	48.4
93.07037	63.1
95.04964	18.2
95.08598	66.6
95.09221	3.5
97.06503	10.3
97.10157	21.1
99.08095	5.5
105.07018	46.0
105.34360	2.1
107.04927	4.3
107.08572	42.8
109.06507	6.7
109.10150	41.3
111.04422	8.2
111.08064	9.7
111.11639	3.2
117.06999	18.2
119.08562	34.9
121.06490	5.0
121.10130	27.6
123.08041	7.9
123.11707	12.6
125.09575	17.6
129.07013	11.5
131.08548	35.7
133.10117	30.8
135.08040	5.6
135.11684	25.9
137.09619	5.2
137.13213	5.2
142.07819	3.4
143.08543	11.7
145.10112	27.1
147.08084	3.0
147.11684	24.6
149.09592	6.9
149.13208	12.4
153.12680	3.3
155.08508	5.4
157.10129	17.7
159.11662	24.2
161.09558	2.9
161.13239	8.9
163.11140	7.7
163.14830	3.2
165.12781	2.7
169.10106	6.6
171.11670	7.9
172.95218	7.6
173.09584	3.5
173.11847	3.3
173.13225	14.3
175.11163	7.5
175.14842	4.5
177.12692	2.6
181.10106	6.0
181.12164	3.7
183.11627	6.2
185.13257	8.9
187.14798	7.6
189.11186	9.1
190.96190	6.2
193.12212	19.6
195.11800	3.1
197.13319	5.3
199.14815	4.1
209.13330	3.2
211.13220	27.4
211.14943	3.7
213.16380	3.8
227.12772	9.7
229.14302	6.6
261.18466	2.5
261.22116	9.9
263.23672	4.3
267.15829	5.6
279.23172	3.5
283.15369	4.0
285.16904	13.4
285.22107	5.4
301.21738	2.6
301.25186	5.8
303.23010	7.0
317.24719	2.8
335.26022	13.9
359.25632	4.8
417.31512	2.8
433.29221	3.7
435.32516	10.7
453.33331	12.0
471.34592	12.4
487.34006	5.0
489.35709	6.3
509.36310	4.4
522.22076	4.9
527.37317	42.7
545.38318	97.3
546.38550	3.3
563.39386	43.6
576.68616	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	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01858	6.4
55.05502	39.8
57.03421	11.5
57.07059	3.6
65.03896	3.4
67.05498	83.2
69.07052	23.4
70.22704	8.6
71.05009	4.8
79.05050	3.5
79.05483	48.0
81.03397	23.3
81.07047	83.7
82.15974	2.1
83.04969	9.4
83.08601	21.0
85.02917	6.2
85.06530	6.5
91.05463	44.2
93.07030	62.0
95.04948	14.5
95.08595	57.2
95.10384	2.3
97.06503	10.0
97.10146	15.4
98.21262	3.2
99.08065	5.0
105.07014	41.6
107.04963	5.3
107.08573	36.6
109.06479	5.8
109.10138	28.6
111.04424	4.8
111.08056	5.9
111.30264	2.7
113.09606	2.7
117.07002	16.6
119.08572	32.2
121.10134	27.6
123.08057	4.5
123.11694	10.4
125.09617	10.1
129.07004	8.3
131.08546	31.1
133.10117	28.9
135.08046	5.8
135.11682	22.5
137.09569	5.7
137.12126	3.0
137.13173	3.7
139.11183	2.8
142.07722	2.8
143.08540	10.6
145.10100	26.2
147.08040	3.5
147.11668	22.2
149.09636	5.4
149.13242	6.0
153.12746	2.7
155.08559	5.6
157.10114	17.5
159.11649	13.2
160.51370	2.5
161.09642	3.6
161.13206	6.6
163.11111	3.8
165.12779	4.1
169.10135	5.3
171.11674	9.3
173.13237	11.6
175.11150	8.4
175.14893	3.8
179.14256	3.2
181.12241	3.3
183.11755	5.0
185.13214	7.0
187.14836	5.5
189.11179	7.2
191.10521	2.5
193.12216	19.1
195.11647	2.3
197.13246	3.7
207.11737	3.0
209.13371	2.9
211.13251	23.8
211.14964	3.5
225.16243	2.4
227.12791	8.5
229.14355	5.2
243.21109	2.7
261.18738	2.3
261.22064	12.2
267.21124	3.7
285.16980	19.7
285.22183	6.2
299.23752	4.0
301.21875	3.0
301.25156	3.5
303.23071	7.0
317.24899	3.2
335.25754	28.0
359.25800	3.8
428.46573	2.7
433.29407	4.3
435.32605	9.1
453.33429	15.5
470.70325	2.8
471.34631	10.7
473.32620	4.5
487.33899	3.6
489.35703	5.8
509.13724	2.7
509.35941	5.3
527.29877	3.6
527.37250	39.3
545.38269	100.0
546.37958	3.4
561.67535	3.0
563.39154	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25341	1.5
52.39760	1.6
53.03939	4.5
54.90524	1.5
55.01867	8.1
55.05505	40.2
56.59600	1.4
57.03431	13.0
57.07062	3.8
59.05008	3.2
65.03923	4.8
67.05496	92.6
69.03410	3.7
69.07059	25.3
70.20761	3.4
70.21169	6.9
71.04981	6.8
73.46648	1.4
79.05483	51.4
81.03408	23.8
81.07047	92.0
83.04980	13.6
83.08614	29.3
85.02914	8.9
85.06529	4.3
91.05470	42.1
93.07034	50.8
94.54627	1.7
95.04961	19.4
95.08596	70.7
97.06525	9.5
97.10162	18.4
98.20831	2.4
99.08082	5.4
100.38435	1.5
105.07021	47.5
106.39544	1.5
107.04935	5.0
107.08582	41.4
109.06503	7.4
109.10143	36.5
111.04427	4.5
111.08056	10.7
113.09648	2.8
115.05351	1.4
117.07011	18.1
119.08573	37.0
121.06466	4.5
121.10128	29.6
123.08036	4.8
123.11687	12.6
125.05969	1.8
125.09621	15.6
128.06183	2.0
129.06990	14.2
130.07738	2.1
131.08548	36.5
133.06451	2.3
133.10121	28.7
135.08047	5.3
135.11667	19.2
137.09622	4.1
139.11113	1.8
141.06987	3.9
142.07773	2.1
143.08531	12.1
145.10107	24.8
147.08040	2.7
147.11678	24.5
149.09616	6.7
149.13277	12.6
151.11179	4.6
153.09174	2.5
153.12732	4.5
155.08536	5.8
157.10106	16.2
159.11664	23.5
161.09625	2.9
161.13226	11.0
163.11183	5.1
163.14804	2.3
165.12715	2.0
169.10081	9.1
171.11705	9.6
173.09712	1.7
173.11821	2.7
173.13264	13.6
175.11169	6.3
175.14822	4.8
177.12778	2.3
181.10126	2.4
181.12164	4.7
181.24344	1.6
183.11688	9.4
185.13248	8.3
187.13287	2.5
187.14813	7.9
189.11212	8.5
189.12685	2.0
193.12244	18.3
195.11690	3.7
197.13255	3.1
199.14818	3.7
201.16325	2.6
203.14227	1.7
205.15849	2.5
207.11624	2.1
211.13219	31.0
211.14937	3.1
213.16396	3.3
223.14841	2.5
225.16408	3.4
227.12709	10.9
229.14317	5.7
231.17529	1.7
243.15762	2.6
243.21165	2.2
251.25291	1.7
259.20535	2.4
261.22104	11.2
267.15872	3.2
269.17328	2.2
277.21643	2.1
279.23105	3.7
283.15445	2.9
285.16916	16.2
285.22119	4.7
287.20114	2.2
301.21515	3.6
301.25183	4.2
303.23111	10.6
317.25058	3.4
335.25714	19.2
359.25644	4.4
377.27115	1.8
391.28284	1.9
395.29584	1.8
417.31628	2.0
433.29440	2.3
435.32587	10.6
453.33594	13.6
471.34814	13.4
473.32523	4.0
487.33899	4.9
489.35114	3.0
509.35995	4.2
527.37311	42.0
545.38293	100.0
546.38831	1.8
563.26166	4.1
563.39374	43.1
576.04309	1.8
587.10846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01863	6.8
55.05502	16.3
57.03177	1.4
57.03433	16.4
57.07077	1.8
61.02914	6.2
65.03935	2.1
67.05495	47.3
68.95930	0.9
69.03414	6.7
69.07058	27.1
70.28375	4.0
71.01327	1.1
71.04987	4.6
73.02906	2.4
79.05484	39.7
81.03401	10.6
81.07047	60.4
83.04966	10.8
83.08614	11.5
85.02888	8.8
85.06528	4.7
89.24670	0.9
91.03954	2.7
91.05470	29.6
93.07034	51.6
95.04956	10.0
95.08595	24.3
96.20040	0.8
96.95091	0.8
97.02872	5.7
97.06521	16.6
97.10156	5.9
98.21204	1.8
99.04421	1.9
99.08062	4.3
103.03946	2.0
105.07017	23.8
107.04945	6.9
107.08578	32.6
109.02861	1.2
109.06527	4.3
109.10144	9.3
111.04398	1.9
111.08051	5.1
111.11700	0.9
117.06996	13.7
119.07780	1.4
119.08575	19.0
121.06524	3.7
121.10133	16.1
123.08073	3.4
123.11696	3.0
125.09628	5.2
127.03913	3.1
129.05449	1.5
129.06955	4.1
131.08553	15.9
133.06471	1.1
133.10107	22.9
135.08017	3.2
135.11670	21.3
135.12685	1.4
137.09601	2.6
139.11172	1.1
141.06969	2.0
143.08549	3.9
144.81673	0.9
145.04913	1.5
145.10109	13.3
147.08095	1.4
147.11667	8.6
149.09601	11.6
149.13255	15.5
151.11191	2.5
155.08493	1.7
157.08818	0.9
157.10112	3.9
159.08025	1.5
159.11674	24.8
161.09534	1.2
161.13234	5.0
163.11189	9.3
165.12769	2.3
168.68275	1.0
169.10133	2.3
171.10201	1.5
171.11678	2.8
173.04466	1.1
173.13240	7.8
175.11171	1.8
177.12721	25.1
179.14259	6.6
181.12242	2.6
183.11688	3.1
185.13203	1.0
187.11224	1.1
187.14854	1.0
189.11153	2.1
195.13779	7.5
197.13266	1.6
201.12697	1.5
211.68912	1.0
213.05357	1.1
215.14310	1.0
217.15884	1.2
227.12848	2.0
229.14331	1.8
229.19525	1.6
235.16832	1.2
237.02930	1.0
237.14783	1.2
239.17969	4.1
247.20575	2.8
251.16411	5.2
255.15892	51.5
257.19016	10.9
267.15729	1.2
269.17447	100.0
275.20026	26.8
293.21014	2.7
309.20483	1.7
331.22723	1.7
349.23676	59.9
367.24759	21.7
389.18018	1.3
407.57571	1.0
413.21848	2.6
493.27460	1.1
511.28851	2.7
565.18927	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01857	4.2
55.05499	15.3
57.03436	15.7
61.02905	7.0
63.19342	2.1
67.05498	50.9
69.03415	5.0
69.07053	21.4
70.23625	5.3
70.24037	4.5
71.04973	5.6
79.05482	36.9
81.03421	10.6
81.07050	65.2
83.04980	11.7
83.08599	9.9
85.02872	6.6
85.06570	2.7
86.09602	2.3
91.05473	28.7
93.07034	46.3
95.04959	9.2
95.08601	24.5
97.02873	4.9
97.06535	17.5
97.10142	4.2
99.08067	3.2
103.03890	2.2
105.07019	24.1
107.04922	6.1
107.08586	23.8
109.06474	5.9
109.10136	7.1
111.08047	4.7
117.06995	11.4
119.08581	16.4
121.06487	4.2
121.10133	14.5
123.04388	4.1
123.08065	4.4
123.11693	5.1
124.04720	2.0
124.17787	2.0
125.09603	5.2
127.03943	4.2
130.58324	2.0
131.08554	17.0
133.10112	23.9
135.04359	5.6
135.05305	2.1
135.08012	6.4
135.11668	14.1
137.09618	2.4
139.03874	6.6
139.11153	2.6
141.07051	3.0
145.10077	15.6
147.08051	3.2
147.11642	8.2
149.09590	9.1
149.13242	16.2
157.10101	4.4
159.11670	19.3
161.09625	2.2
161.13213	4.6
163.03880	9.6
163.11160	8.1
164.04156	2.7
165.05446	2.9
167.23047	2.3
169.10280	2.3
171.11725	2.7
173.05972	2.7
173.13290	5.7
177.12714	24.7
179.14322	10.5
181.12161	3.2
184.07292	6.5
189.05452	3.7
195.13782	6.6
231.10092	3.8
231.76979	2.3
239.17905	2.5
251.16299	5.8
255.15912	45.9
257.18982	6.1
269.17453	100.0
272.67041	2.4
275.20062	18.2
309.20844	2.5
349.23669	42.5
367.24814	22.4
386.25708	2.3
413.22562	4.3
414.23505	8.1
546.25916	12.5
564.26672	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13362	1.1
53.03929	1.5
55.01860	3.8
55.05502	10.9
57.03421	4.7
57.12530	0.9
61.02922	2.9
65.67987	1.0
67.05157	1.7
67.05499	24.3
69.03410	1.8
69.07062	15.1
71.04988	2.4
71.08584	1.1
71.63826	1.5
73.02919	1.1
73.48597	1.0
79.05054	1.3
79.05487	22.3
81.03411	4.0
81.07048	68.7
83.04964	4.5
83.08624	9.7
84.03783	1.0
85.02876	5.3
86.09679	1.5
91.05466	18.1
93.07031	19.0
95.04954	8.7
95.08595	18.9
97.02872	1.7
97.06528	7.1
97.10150	2.3
99.04473	1.0
99.08097	1.6
103.05510	1.0
105.07011	18.6
107.04932	5.9
107.08575	13.5
109.02862	1.6
109.06502	23.0
109.10164	7.4
111.08045	3.1
117.06992	5.4
119.08571	18.2
121.06480	4.5
121.10125	11.4
123.04400	4.0
123.08025	6.0
123.11691	4.0
125.09665	1.4
127.03929	1.8
127.88564	1.1
129.07043	2.2
131.08556	9.5
133.06499	2.2
133.10092	15.4
135.08023	2.9
135.11647	5.0
137.09610	4.2
139.03917	5.1
143.08562	1.6
145.10071	9.0
147.11668	16.6
147.51231	1.1
149.09619	7.3
149.13222	5.6
151.11160	2.5
155.08591	1.1
157.10114	2.9
159.11664	8.4
161.09665	2.3
161.13239	2.3
163.03885	7.1
163.11104	6.2
164.04262	1.8
165.12724	4.3
169.10124	1.3
171.11633	1.9
173.13239	3.8
175.11185	3.4
177.12834	1.9
179.14311	1.2
183.11636	2.5
184.07338	2.2
187.11185	1.6
193.12177	2.0
197.13220	1.4
202.69298	1.0
205.12083	1.3
205.91722	1.1
229.19438	3.0
239.17882	1.8
247.20532	2.9
257.18991	4.1
275.20026	48.3
285.16922	1.3
293.21136	10.6
349.23688	100.0
367.24759	67.3
419.24258	4.6
437.25208	2.5
450.62271	1.0
546.25342	1.7
564.26428	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	7.0
53.27260	2.6
55.01850	7.5
55.05300	2.4
55.05508	31.5
56.96550	4.1
57.03428	26.5
57.07060	2.9
61.02930	15.8
65.03934	4.0
67.05498	76.2
69.03421	12.5
69.07059	36.8
71.02312	2.9
71.02648	5.9
71.04975	9.3
73.02902	8.1
79.05481	83.1
79.18800	2.5
81.03403	18.8
81.06567	4.7
81.07047	94.4
83.04974	16.4
83.08606	15.4
85.02881	22.4
85.06525	5.3
91.03930	8.8
91.05469	71.7
93.07032	100.0
93.07613	5.2
93.21325	2.6
95.04959	18.9
95.08597	50.4
97.02886	13.6
97.06519	24.9
97.10179	4.8
99.04430	3.3
99.08070	8.0
103.03933	4.2
103.05462	3.1
105.06381	4.5
105.07023	66.0
107.04909	5.7
107.08582	57.8
109.06511	7.7
109.10123	23.0
111.04422	3.2
111.08070	8.5
115.05443	3.3
117.07011	24.1
119.08572	51.6
121.06474	7.3
121.10117	41.5
123.04445	4.0
123.08025	6.8
123.11688	7.7
125.09605	3.9
127.03888	10.8
129.05447	5.2
129.06999	16.6
131.08566	32.4
133.06425	3.0
133.09109	2.6
133.10107	49.6
135.08069	7.0
135.11684	40.7
137.09569	3.2
139.03867	7.6
143.08546	9.1
145.04930	5.2
145.10089	23.3
147.04352	2.7
147.07964	3.0
147.11653	30.2
149.09596	19.1
149.13226	33.0
157.10101	9.7
159.11673	34.4
161.09595	4.7
161.13237	22.3
163.03894	9.7
163.11124	9.1
163.14804	6.6
164.04242	2.5
171.10361	3.3
171.11694	11.4
173.11832	3.4
173.13243	10.8
175.14813	7.4
177.12729	10.9
179.14291	5.2
183.11661	5.1
185.13235	8.5
187.11206	3.2
187.14833	5.1
189.16382	2.8
195.13815	11.7
199.14781	4.0
201.35521	2.7
203.14319	4.1
209.91356	3.2
217.15829	2.9
229.14342	5.8
231.21046	5.1
239.17894	4.2
241.19426	18.0
247.20555	3.3
253.14423	2.8
254.14680	3.3
255.06087	3.1
257.18964	8.5
259.20538	58.0
269.17450	97.9
271.05988	6.0
275.20041	21.1
277.21585	5.7
281.17477	4.7
309.27826	3.3
333.24219	7.5
349.23688	8.9
351.25269	87.8
495.28555	4.4
532.31995	5.9
546.25580	25.1
564.26703	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1336
Annotation	Theaflavin
Peak:m/z	Relative Intensity
53.03934	0.1
55.01866	0.9
55.05506	0.3
65.03922	0.8
66.57298	0.1
67.01849	0.3
67.05498	0.6
68.99773	1.3
69.03410	0.4
69.07078	0.1
69.82098	0.4
69.82526	0.4
71.01333	0.1
71.04976	0.2
79.05492	0.4
81.03420	0.3
81.07024	0.3
83.04958	0.7
83.08595	0.1
85.02898	0.3
91.05453	0.4
93.03391	0.7
93.07070	0.2
95.04949	0.5
95.08609	0.2
97.02850	0.5
99.04441	0.3
103.05474	0.1
104.61967	0.1
105.03325	0.2
105.06997	0.3
107.04957	0.2
109.02821	0.2
109.06542	0.2
111.00787	0.1
111.03682	0.3
111.04430	3.9
115.05429	0.2
117.06980	0.2
121.02850	0.4
121.10131	0.1
121.60469	0.1
122.73488	0.1
123.04439	1.5
127.03902	1.8
129.06950	0.1
131.08572	0.1
137.05945	0.4
139.03883	100.0
140.04245	0.5
141.06970	0.4
143.04915	0.3
145.06465	0.2
145.72861	0.1
147.04372	0.1
151.03886	7.2
153.01801	0.2
153.05429	0.4
153.06874	0.1
155.04886	0.3
156.25687	0.1
157.06461	0.6
159.04453	0.2
159.08025	0.2
159.11565	0.1
161.05977	0.5
163.03893	3.9
165.05455	0.6
167.03432	0.2
167.07095	0.2
168.05626	0.1
169.06464	0.7
171.02994	0.2
171.04387	0.2
173.05984	1.5
175.03850	0.2
175.07523	0.3
177.05481	0.4
179.03383	0.2
181.04909	0.8
181.06488	0.4
183.04436	0.3
183.06444	0.1
184.05257	0.2
185.05927	0.9
187.03891	0.2
187.07529	0.5
189.05516	0.7
191.03404	0.2
191.06808	0.1
193.04956	0.2
197.05972	1.2
199.03902	1.0
199.07552	0.5
201.05428	1.3
203.06967	0.6
205.04929	0.4
207.04472	0.2
209.05968	0.6
211.03967	0.2
211.07532	0.2
213.05435	1.8
213.08891	0.1
214.06078	0.1
215.03325	0.3
215.06918	0.9
217.04916	2.3
219.06445	0.1
221.06033	0.2
223.07381	0.2
224.04469	0.2
225.05455	1.0
227.06995	1.0
228.04216	0.1
229.04958	2.2
231.06503	2.1
235.03934	0.2
237.05421	1.0
239.06998	0.1
241.04936	1.1
242.05727	0.4
243.06509	2.0
245.04393	1.0
247.06012	0.4
251.07021	0.3
253.05016	0.8
254.05478	0.2
255.06490	1.6
257.04382	0.5
259.05972	5.3
261.07504	0.2
265.05032	0.6
265.08386	0.1
266.05734	0.2
267.06540	0.3
267.13882	0.2
269.04510	0.3
269.08090	0.2
270.05124	0.2
271.05969	4.0
277.07010	2.1
279.06445	0.2
283.05942	1.5
288.06149	0.2
289.06918	1.5
295.06067	0.2
301.06943	0.1
303.04800	0.2
305.07928	0.1
307.05920	0.2
311.12869	0.3
313.14359	0.2
317.08035	0.1
329.13919	0.8
335.09097	0.2
337.07086	0.2
337.14340	0.4
345.07501	0.3
351.08813	0.2
355.15472	1.0
357.07571	0.2
361.06937	0.1
363.08524	0.4
367.08115	0.9
373.07211	0.2
373.16400	0.4
375.08530	0.2
379.08148	1.2
381.09808	0.2
385.09128	0.3
391.08087	1.1
397.09055	0.3
403.08218	0.7
409.09128	2.6
421.09109	1.0
427.10187	12.9
565.13385	3.2
565.21783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.5
51.02361	0.5
53.03946	0.9
53.35075	0.4
55.01860	1.3
55.05498	2.2
64.59103	0.4
65.03934	0.6
67.05498	5.4
68.99769	0.6
69.03403	0.7
69.07065	3.2
69.48511	3.2
74.54179	0.5
76.41692	0.4
77.03912	0.7
79.05485	4.4
81.03427	0.6
81.07043	8.6
83.01315	0.6
83.04955	1.1
83.08565	0.9
85.06517	0.5
85.59927	0.4
86.09728	0.6
91.05479	4.7
93.07032	4.6
95.04958	2.4
95.08591	4.0
97.02855	0.6
97.06478	0.5
98.21552	0.8
105.03364	1.4
105.07017	4.5
107.04945	1.2
107.08578	2.5
109.02887	0.5
109.06532	0.6
109.10142	1.7
114.06171	0.4
117.07001	1.2
119.04932	5.3
119.08563	3.9
121.06479	0.7
121.10130	3.3
123.04412	100.0
123.11669	1.2
124.05180	1.8
125.02312	1.0
125.06035	0.5
127.03856	0.4
129.07011	1.2
131.04915	0.9
131.08546	1.6
133.06485	0.8
133.10101	1.8
135.04395	1.9
135.08028	0.6
135.11665	0.8
137.05965	1.3
139.03888	2.5
141.06972	1.0
143.08548	1.3
145.06458	1.6
145.10115	2.1
147.03218	0.7
147.04387	12.8
147.05486	1.0
147.11667	2.2
149.05965	1.0
149.09628	0.6
151.03886	12.6
153.05432	4.7
153.97708	0.4
155.08624	1.1
157.06465	1.1
157.10097	0.8
159.08075	0.8
159.11732	1.3
160.05180	0.5
161.05968	2.2
163.03888	11.8
163.07579	1.0
165.05458	9.6
167.08572	0.6
169.06458	0.5
170.07167	0.6
171.11636	0.6
173.06004	2.1
175.03885	5.2
175.07562	0.9
176.04674	0.7
177.05460	7.2
179.07018	1.1
183.08044	0.7
184.07358	2.3
185.05974	1.2
187.03877	1.7
187.07526	1.4
189.05461	8.7
189.09151	0.5
191.07043	2.0
191.10674	1.0
193.04994	1.7
197.05983	0.6
199.07578	0.5
201.05443	3.8
201.09052	0.7
203.06961	3.0
203.10750	1.2
205.04906	0.6
211.07579	0.9
211.11003	0.5
213.05496	1.1
215.07008	5.0
215.10596	0.8
216.07520	0.5
217.08614	1.9
219.10066	0.8
225.09067	0.7
227.07053	1.5
227.10625	0.8
229.04976	1.5
229.08546	5.8
230.09225	0.8
231.10136	26.4
239.07082	0.6
241.08546	2.1
243.10126	6.5
245.11786	1.4
255.10146	3.4
257.11670	2.0
269.11584	0.9
271.13382	0.8
275.20053	0.6
283.09613	1.7
293.15381	0.7
296.06921	0.5
297.15060	0.7
299.16336	3.7
309.07700	0.8
311.16345	2.5
323.16229	0.5
327.08469	0.6
327.15860	1.1
335.09018	0.8
339.15878	3.7
345.17038	1.7
357.16907	1.5
363.12253	1.3
364.13065	1.1
365.13779	1.6
367.22568	5.1
369.16898	1.2
377.13840	1.7
377.21268	0.9
381.13214	0.6
382.13986	0.7
383.14926	2.1
395.14975	1.1
395.22137	9.0
407.22183	3.3
413.23175	71.8
414.23672	2.5
423.21628	1.3
425.23148	7.4
437.23282	1.6
473.19885	0.8
477.19101	0.8
478.19977	0.5
491.20468	1.3
509.21619	1.0
529.25677	2.4
547.26813	6.3
565.27698	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	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.6
51.02366	0.8
51.50146	0.4
53.00289	0.4
53.03931	0.8
55.01862	1.4
55.05496	2.9
61.02898	0.3
65.03925	0.7
67.05152	0.7
67.05494	7.1
68.99774	0.7
69.03416	1.1
69.07058	4.5
69.37179	1.5
69.37617	2.2
71.04977	0.5
77.03923	0.7
78.04680	0.4
79.05480	5.7
79.64759	0.4
81.03400	1.0
81.07044	10.9
83.01290	0.4
83.04993	0.8
83.08607	0.7
85.02915	0.4
85.06548	0.4
86.09691	1.6
91.05465	7.4
93.07029	5.3
93.74928	0.3
95.04543	0.3
95.04969	3.3
95.08595	3.9
97.06480	0.5
98.98499	0.4
103.05471	0.5
105.03389	1.6
105.04494	0.4
105.07015	5.6
107.04955	0.9
107.08562	3.0
109.02869	0.7
109.06504	0.9
109.10164	1.6
115.05404	0.6
117.07000	2.0
119.04932	5.1
119.08574	4.0
121.06487	0.6
121.10120	2.6
123.04409	100.0
123.11671	1.3
124.05193	2.0
124.99991	1.4
125.02326	0.7
127.03914	0.9
129.06978	1.6
131.04857	0.9
131.08548	2.5
133.06471	1.0
133.10106	1.5
135.04378	2.0
135.08034	1.2
135.11681	0.8
137.05980	1.2
139.03883	3.6
141.05414	0.4
141.06958	1.0
142.07803	0.4
143.04791	0.4
143.08528	1.3
145.06480	1.2
145.10092	2.0
147.04384	17.0
147.08038	0.6
147.11667	2.5
149.05960	1.6
149.09598	0.5
149.13245	0.4
151.03880	13.1
153.05444	5.3
155.08492	1.2
157.06470	0.9
157.10127	0.8
159.04384	0.4
159.08096	0.9
159.11671	1.0
161.05980	2.3
161.09653	0.5
162.03078	0.9
163.03894	12.8
163.07523	0.7
163.11150	0.5
165.05458	10.4
165.12784	0.6
167.07079	0.5
167.08525	0.9
169.05014	0.4
169.10153	0.8
171.08015	0.7
171.11742	0.5
173.05948	2.0
173.09604	0.7
173.13300	0.5
174.06520	0.5
175.03880	5.4
175.07538	1.3
175.11121	0.7
176.04623	0.5
177.05440	9.1
179.07010	1.3
183.08005	0.7
183.11816	0.4
184.07347	5.6
185.06046	0.7
185.07727	1.2
185.09554	0.6
185.13214	0.4
186.17773	0.4
187.03880	2.3
187.07549	1.5
189.05446	8.2
189.07021	0.7
189.09077	0.7
189.12654	0.4
190.06192	0.4
191.07074	1.6
191.10706	0.6
193.04900	2.2
195.07982	0.6
197.05988	0.9
197.09639	0.6
198.06790	0.5
199.07558	0.8
200.04594	0.5
201.05414	4.3
201.09113	0.9
202.06281	0.5
203.03462	0.5
203.07008	3.0
203.10646	1.3
205.04892	0.6
205.08617	0.5
207.06422	0.6
211.07526	1.2
213.05453	1.6
213.09093	0.8
214.06165	0.9
215.06987	5.9
215.10555	0.9
216.07922	0.4
217.04973	0.4
217.08630	1.5
219.10078	0.6
225.09148	0.6
227.07042	3.1
228.07780	0.5
229.04907	1.5
229.08557	5.6
230.09419	1.1
231.10124	29.4
232.10568	0.5
233.11595	0.6
239.06963	0.7
241.08551	2.2
243.10135	5.8
245.11778	1.4
253.08524	0.4
255.10150	3.4
257.11655	1.9
259.09644	0.5
269.11649	1.5
271.13303	0.8
275.19922	0.4
278.21222	0.4
283.09509	2.1
285.07648	0.7
295.05963	0.5
296.06931	0.7
297.14700	1.0
298.15527	0.4
299.16348	3.4
309.07639	0.8
311.16348	2.8
323.08978	0.5
323.16315	0.6
327.08685	0.5
327.15842	1.5
335.09003	0.8
339.15961	3.5
345.16818	1.4
349.10660	0.7
357.17133	1.8
363.12164	1.4
364.12949	1.1
365.13751	1.6
367.22574	6.0
369.16937	1.2
375.85345	0.4
377.13760	1.3
377.21201	0.6
381.13339	1.1
382.13962	1.1
383.14761	1.9
383.97525	0.4
395.14835	1.1
395.22144	9.9
407.22125	3.7
413.23160	77.7
425.23123	7.6
437.23007	0.9
477.18652	0.6
478.20090	0.5
479.20685	0.7
491.20453	1.3
495.19571	0.5
496.20856	0.7
509.21350	0.7
512.64844	0.4
529.25714	1.5
547.26807	6.7
565.27490	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	565.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03926	1.2
55.01859	0.7
55.05499	3.7
67.05493	8.8
68.99779	1.0
69.03424	0.7
69.07068	5.4
71.03035	1.3
71.04972	1.0
75.73456	0.5
77.03928	0.7
78.04672	0.7
79.05478	6.4
81.03402	0.7
81.06567	0.7
81.07048	12.3
81.59283	0.5
82.83171	0.4
83.01301	0.7
83.04970	1.0
83.08605	1.5
91.05473	8.1
93.07035	5.4
95.04964	2.8
95.08595	4.9
97.02923	0.5
97.06549	0.8
98.75918	0.5
99.88097	0.6
103.05486	0.6
105.03379	1.2
105.07014	5.8
107.04930	1.2
107.08568	2.5
108.99715	0.5
109.02856	0.6
109.06484	1.4
109.10144	2.2
113.46458	0.5
115.05428	0.7
116.89044	0.5
117.06989	2.1
119.04922	6.2
119.08566	4.7
121.06500	0.9
121.10185	2.9
121.10888	0.6
123.04416	100.0
123.11741	0.8
124.05249	1.3
125.02354	0.9
129.06995	1.6
131.04921	0.7
131.08549	2.0
133.06441	0.8
133.10104	1.9
135.04393	2.4
135.05302	0.5
135.08081	0.9
135.11676	1.5
137.05957	2.7
139.03880	2.8
141.06958	1.2
143.08588	1.6
145.06520	1.3
145.10097	2.0
147.04391	23.6
147.08043	0.6
147.11702	2.0
149.05974	1.7
151.03874	7.5
153.05521	3.0
153.06546	0.5
155.08626	1.0
157.06522	0.6
157.10086	0.6
159.04485	0.9
159.08034	1.2
161.05939	3.5
163.03896	13.6
163.07529	0.8
163.11197	0.9
165.05449	15.2
165.12704	0.5
169.10158	0.8
171.00890	0.5
171.07994	0.7
173.05986	1.9
173.09496	0.5
173.13174	0.5
174.40233	0.5
175.03864	5.8
175.07539	1.4
175.11177	0.7
177.05460	13.0
179.06982	1.3
181.04976	0.5
184.07605	0.5
185.05975	0.7
185.09665	0.6
187.03888	2.4
187.07587	1.7
189.05435	10.7
189.09084	1.9
191.06999	2.9
191.10681	1.2
193.04990	1.8
199.07520	0.9
201.05478	4.4
201.09132	2.3
202.06081	0.7
203.07008	4.4
203.10643	1.3
205.04961	0.8
205.08614	0.7
207.06485	0.8
213.05470	1.8
213.09050	1.1
214.05988	0.6
215.07008	8.0
215.10530	0.9
216.07851	0.7
217.04948	0.8
217.08621	2.3
227.07115	2.7
227.10603	0.7
229.08562	4.2
230.09254	0.7
231.10139	40.2
233.11838	0.7
241.08606	2.0
243.10106	5.5
245.11618	3.0
255.10120	2.8
257.11737	1.6
269.11682	0.8
271.13199	0.7
275.20010	0.9
283.09586	1.4
294.76382	0.5
297.14853	0.6
298.15564	0.6
299.16348	5.0
309.07581	1.3
311.16602	1.7
327.08716	1.0
327.15848	2.3
339.15988	3.2
343.15475	0.8
345.16934	2.0
355.15433	0.9
357.16956	1.6
363.12164	1.0
364.13092	0.7
367.22644	11.1
369.16852	0.8
377.13916	1.6
381.13171	1.1
382.13992	1.5
383.14783	3.3
385.21619	1.7
395.14798	1.5
395.22150	8.8
407.22073	2.1
413.23181	56.5
414.23608	1.3
425.23126	7.3
437.23160	1.2
459.18195	0.7
461.19479	0.8
477.19235	1.9
478.19592	1.4
491.20261	0.8
495.20090	2.2
496.20624	1.7
529.25647	3.3
547.26733	8.9
565.28284	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	565.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
52.81935	0.5
53.03931	1.2
55.01861	0.9
55.05507	3.6
57.03439	0.5
60.05130	0.4
65.03941	1.1
67.05161	0.9
67.05497	11.4
68.99774	0.7
69.03406	1.7
69.07066	4.8
71.04971	0.8
71.62175	0.6
77.03925	1.3
78.04710	0.5
79.05483	5.0
81.03393	1.0
81.07044	11.9
83.01284	0.4
83.04961	1.1
83.08601	0.8
90.28584	0.5
91.05460	7.4
93.07037	5.1
93.14867	0.4
95.04947	2.6
95.08569	4.3
97.02875	0.5
97.06495	0.8
98.20992	0.6
103.05472	0.6
105.03364	1.2
105.07009	5.2
107.04931	1.1
107.08569	3.6
109.06529	0.8
109.10136	3.2
115.05451	0.8
117.07001	1.6
119.04931	6.8
119.08564	3.9
121.06508	1.0
121.10146	3.4
123.04409	100.0
123.11705	1.3
123.41569	0.4
124.05179	2.0
125.02354	0.6
128.06174	0.7
129.06981	1.6
131.04898	0.9
131.08560	1.9
133.06461	1.0
133.10135	1.6
133.24992	0.5
135.04388	2.5
135.11703	1.4
137.05977	1.8
139.03877	3.1
141.06973	1.5
142.07713	0.5
143.08537	1.5
145.06453	2.1
145.10097	1.5
147.04393	23.2
147.11671	2.2
149.05939	2.0
149.13220	0.8
151.03888	9.2
153.05464	4.1
153.06665	0.7
155.08565	0.9
157.06471	0.9
157.10159	1.2
159.08044	1.0
159.11685	1.0
161.05962	3.0
161.09602	1.0
162.03084	0.7
163.03886	15.0
163.07507	0.9
165.05450	15.2
165.06862	0.9
165.12762	0.8
167.08624	0.4
171.08037	0.6
173.05980	2.1
173.09612	1.3
173.13165	0.6
175.03877	6.5
175.07535	1.9
176.04616	0.7
177.05435	13.2
177.08934	0.5
179.07022	1.6
181.10107	0.8
185.05928	0.7
185.09666	0.9
187.03925	2.7
187.07520	1.6
189.05444	14.0
189.09114	1.1
191.07030	2.1
191.10545	1.2
193.04942	2.3
197.05988	0.6
197.09621	0.6
198.06636	0.7
199.07463	1.0
201.05418	4.7
201.09067	1.4
202.06148	1.0
203.07042	4.2
203.10713	1.4
205.04948	1.0
205.08548	0.6
207.06396	1.0
207.10129	0.4
213.05417	1.8
213.09009	1.1
214.06076	0.6
215.06989	7.2
215.10626	1.0
216.07681	0.7
217.04964	0.6
217.08556	1.5
219.10159	0.7
223.07530	0.5
227.06975	3.0
229.05022	0.6
229.08519	4.7
230.09239	0.9
231.10123	42.5
233.09470	0.6
241.08589	2.1
243.10118	5.4
245.11749	3.2
253.08582	0.6
255.10155	3.9
257.11722	1.6
257.56918	0.6
269.07629	0.5
269.11621	1.0
271.05887	0.6
271.13321	0.8
271.16827	0.6
283.09531	1.1
283.12781	0.5
285.14810	0.8
287.16397	0.6
298.15469	0.8
299.12927	1.1
299.16379	4.3
309.07379	1.3
311.16333	2.5
319.23264	0.5
327.08603	1.1
327.15854	1.9
339.15799	3.6
345.16931	1.7
355.15375	0.7
357.16870	1.6
363.12503	1.1
364.13440	0.8
365.13965	1.4
367.22617	12.7
369.16901	1.4
377.13824	1.4
377.21164	0.6
382.14075	1.8
383.14886	3.6
395.14825	1.3
395.22028	8.7
407.22015	2.2
413.23157	61.4
414.23611	1.8
421.16443	1.7
425.23224	7.4
437.23306	1.1
439.17252	1.0
449.20288	0.6
461.19327	0.8
478.19727	1.0
479.20639	1.3
491.20251	1.1
496.20963	1.7
501.26132	0.6
529.26123	2.3
547.26819	7.6
565.27869	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	565.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03929	2.1
55.05501	6.0
55.75404	0.7
57.07064	4.4
59.04998	1.4
65.03919	2.1
67.05498	14.1
69.03423	2.7
69.07063	9.1
69.32748	1.4
69.33146	8.5
77.03898	0.8
79.05049	1.1
79.05484	14.8
81.07046	17.3
83.04969	2.8
83.08597	3.6
85.06537	1.1
91.05462	19.8
93.07028	25.4
94.48524	0.7
95.04945	7.3
95.08595	19.5
97.06522	1.7
97.10126	1.0
103.05459	2.6
105.07018	43.6
107.08577	20.6
107.64558	0.9
109.06529	4.8
109.07144	0.8
109.10136	10.7
111.08089	0.8
115.05438	2.3
116.06210	1.5
117.07004	9.3
119.08561	46.9
121.06489	2.5
121.10128	29.8
121.11017	1.4
123.08060	6.6
123.11671	4.4
125.05972	3.3
128.06189	7.1
129.06987	8.1
130.07799	4.0
131.08556	20.4
133.06534	1.3
133.10110	26.1
134.29556	0.8
135.08049	4.7
135.11656	9.1
137.09610	5.4
139.07541	1.1
141.06937	5.4
142.07774	13.7
142.08835	0.7
143.08536	25.3
144.09319	3.0
145.06429	1.3
145.10106	27.9
146.10838	0.9
147.08023	7.0
147.11694	7.5
149.09564	4.0
149.13274	1.0
151.07532	6.1
151.11200	1.3
153.06975	2.6
153.09088	1.3
154.07767	1.9
155.08543	8.8
156.09322	9.2
157.10110	30.5
158.10834	4.3
159.08084	1.5
159.11671	14.3
161.09618	2.9
161.13243	3.4
163.11168	4.4
165.07050	4.2
165.09094	17.0
166.07822	1.5
167.08571	7.6
167.10674	5.8
168.09283	4.4
169.10104	17.9
170.10948	5.0
171.11679	20.6
173.09685	1.7
173.13239	14.8
175.11206	1.5
175.14764	4.6
177.09195	1.1
178.07785	1.5
179.08545	8.9
179.10677	0.9
180.09300	4.5
181.10101	8.7
181.12117	4.7
182.10898	5.5
183.11671	14.8
184.12463	2.9
185.09680	1.2
185.13245	13.1
187.14818	4.4
189.12675	3.8
191.08530	1.7
191.14268	1.7
192.09364	2.8
193.10097	9.7
194.10884	6.7
195.11685	12.8
195.13522	0.9
196.12497	3.1
197.13237	12.2
199.11182	1.2
199.14784	10.4
201.16467	1.6
203.08519	1.3
203.14305	5.6
204.09375	1.0
205.10083	3.9
206.10881	4.7
207.11697	12.6
207.13857	2.4
208.12465	4.8
209.09624	0.8
209.13235	14.9
209.15091	0.9
210.14056	1.7
211.11215	1.2
211.14748	9.2
213.12680	1.4
213.16373	4.5
216.09378	1.5
217.10133	3.3
217.15681	1.0
218.10927	1.5
219.11710	5.3
220.12398	5.2
221.13240	10.2
221.15393	26.7
222.14056	3.2
223.14735	8.2
225.16351	3.8
227.36713	0.8
229.10204	1.2
230.10942	1.0
231.11604	5.0
232.12471	3.5
233.13246	7.6
233.15416	2.6
234.14015	3.1
235.14784	7.8
236.15579	1.4
237.12859	0.9
237.16312	5.2
239.17949	5.5
241.19414	1.2
243.11653	2.2
244.12451	2.5
245.13203	4.7
246.13947	4.0
247.14792	5.5
247.16991	2.1
248.15588	2.2
249.16180	4.5
250.17108	1.0
251.17882	4.3
253.19574	3.3
256.12427	0.9
257.13254	3.6
258.13962	1.6
259.14767	5.5
260.15591	2.8
261.16263	5.7
263.17908	5.7
265.19507	7.5
269.13379	1.3
270.14050	1.5
271.14780	1.7
272.15591	1.7
273.16156	4.6
274.17102	1.1
275.17926	3.1
277.19543	4.7
277.23926	0.8
279.21155	1.9
281.19238	1.2
283.14789	1.8
283.20538	2.2
285.16135	2.0
286.19650	0.9
287.17850	2.6
287.20456	1.5
289.19540	2.9
291.21136	1.0
299.17825	2.1
301.19330	1.9
303.21075	1.8
311.17831	1.0
315.21127	1.8
317.22705	1.9
327.20975	1.4
329.22690	1.9
331.24118	4.8
343.24240	2.0
355.24289	1.1
357.25702	5.1
365.24908	2.2
385.28772	4.1
407.28616	0.9
459.32474	1.2
473.34171	9.3
485.34186	2.3
509.34216	1.8
529.38556	1.8
547.39215	5.9
565.40344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74891	1.9
53.03909	2.1
53.85537	1.8
55.05506	8.7
56.28287	2.0
57.07065	4.6
61.53763	2.0
61.64667	1.5
65.03927	2.1
67.05495	18.0
67.22898	1.7
69.03416	4.5
69.07059	13.8
69.49766	5.1
69.50188	11.5
79.05486	18.1
81.03372	2.4
81.07044	24.9
83.04983	3.1
83.08599	5.4
85.06541	3.7
91.05479	26.9
93.07038	33.4
95.04954	11.0
95.08599	23.5
97.06499	5.0
98.21454	3.9
103.05452	2.4
105.07020	39.4
107.08575	22.8
109.06501	5.7
109.10152	15.5
115.05428	3.9
115.34370	2.1
117.07003	7.8
119.08561	44.1
121.06503	2.0
121.10130	27.6
123.04468	2.2
123.08060	7.9
123.11711	5.6
125.05996	2.4
125.09747	2.4
127.11140	2.2
128.06245	8.0
129.06981	9.3
130.07779	5.1
131.08540	20.7
133.10118	25.1
135.08034	4.7
135.11687	11.1
137.09621	4.3
141.07013	3.7
142.07761	9.2
143.08530	22.5
145.10107	31.3
147.08035	6.2
147.11684	10.5
147.21980	1.9
149.09622	5.1
153.06981	3.4
155.08542	9.7
156.09392	8.3
157.10114	28.9
158.10930	5.0
159.08018	2.6
159.11685	16.8
161.13281	5.2
163.11189	5.3
165.06963	2.6
165.09042	10.2
166.07864	2.7
167.08556	4.9
167.10641	12.7
168.09415	2.3
169.10139	16.6
170.10928	5.9
171.11700	19.0
173.09604	4.8
173.13217	17.6
175.11255	3.9
175.14828	5.3
179.08551	7.5
180.09334	5.1
181.10130	8.9
181.12146	3.2
182.10924	5.5
183.11638	13.3
184.12469	2.4
185.13197	11.0
187.14792	7.9
189.12729	2.3
192.09341	3.0
193.10109	10.1
194.10892	5.0
195.11693	15.4
196.12459	4.9
197.13249	12.4
199.14799	15.1
201.16373	5.9
203.14374	4.5
206.10837	4.2
207.11768	8.9
207.13713	2.4
208.12555	5.0
209.13292	14.8
209.15118	2.7
210.14091	2.2
211.14799	8.0
213.16425	4.9
215.14348	2.3
217.10143	2.1
219.11757	3.6
220.12563	3.0
221.13235	10.0
221.15401	15.4
223.14835	6.4
225.16365	5.4
227.17847	2.1
231.11697	2.9
232.12460	2.4
233.13232	6.3
233.15390	6.2
235.12868	2.2
235.14803	6.2
237.16399	5.3
239.17857	5.5
244.12569	2.4
245.13239	5.8
246.13940	2.2
247.14742	4.5
249.16414	4.3
250.16948	2.1
251.18021	3.8
253.19598	3.2
258.14142	2.1
259.14761	5.0
261.16364	5.2
263.18005	5.1
265.19534	8.4
273.16315	2.9
275.17929	5.6
285.16321	2.4
287.17734	2.5
287.83289	2.3
289.19693	2.8
301.19476	2.6
309.16998	2.9
313.27374	6.8
331.24274	3.8
335.23648	2.3
343.24240	3.1
347.23932	2.7
355.24609	2.1
357.25864	3.4
365.24579	4.6
473.34198	3.9
485.33966	2.3
509.34076	2.5
547.39526	17.1
565.40308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05513	0.4
56.05028	0.3
56.96575	0.2
57.03434	0.4
58.06581	1.1
59.07370	1.0
60.08158	6.2
62.57211	0.1
67.05504	0.8
69.07069	0.4
69.96477	0.9
70.06602	0.3
71.07370	2.8
76.90938	0.2
79.05493	0.7
80.05812	0.1
80.97415	0.1
81.03407	0.2
81.07051	1.0
83.04960	0.2
85.02894	0.2
86.09697	28.3
91.05476	0.4
93.07045	0.7
95.04974	0.2
95.08594	0.4
95.60903	0.2
96.89748	0.1
97.02888	0.2
97.06480	0.2
97.10170	0.2
98.21394	0.2
98.98457	2.6
104.10037	0.2
104.10735	4.3
105.07031	0.4
107.08582	0.5
108.72726	0.2
109.06515	0.2
109.10149	0.2
112.27388	0.1
117.07026	0.2
119.08524	0.3
121.10113	0.2
123.04484	0.2
124.99995	17.7
133.10114	0.3
135.11703	0.2
137.05980	0.5
139.03870	0.4
143.01050	0.4
149.09657	0.2
154.95473	0.2
157.10039	0.2
175.14723	0.2
184.07324	100.0
185.07605	0.4
210.08870	0.5
239.09180	0.6
252.09521	0.2
255.16052	0.2
256.16202	0.2
258.10947	0.3
269.17477	0.4
270.17847	0.4
271.17953	0.3
293.13107	0.5
342.07275	0.2
351.24274	0.4
462.22495	0.5
480.24008	0.3
522.20044	0.5
532.29901	0.2
548.29388	0.6
566.19196	1.4
566.30518	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	566.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91248	0.1
54.25301	0.1
55.01832	0.2
55.05492	0.4
56.05016	0.5
57.03446	0.2
58.06346	0.2
58.06610	0.5
59.07391	0.2
60.08156	6.0
67.05476	0.3
69.65855	0.5
69.66280	0.7
70.06576	0.2
71.07364	2.4
79.05476	0.4
81.03410	0.3
81.07039	0.6
83.04972	0.2
83.08630	0.2
85.02874	0.4
86.09693	27.3
87.10059	0.2
91.05473	0.4
93.07017	0.3
95.04945	0.4
95.08588	0.4
97.02910	0.2
97.06528	0.2
98.98459	2.6
100.11246	0.6
103.05444	0.1
104.10726	3.4
105.07015	0.3
107.04933	0.2
107.08574	0.3
109.06478	0.2
109.10199	0.2
111.04416	0.1
111.08109	0.2
117.06905	0.1
119.08582	0.3
121.10137	0.3
123.04406	0.2
123.11618	0.2
124.99986	18.7
127.03915	0.2
133.02763	0.1
133.06441	0.2
133.10101	0.2
135.11540	0.2
137.05940	0.5
139.03876	0.5
143.01018	0.4
147.04506	0.2
149.09604	0.2
151.03906	0.2
158.00391	0.1
159.07951	0.1
161.05916	0.2
163.04002	0.2
163.11191	0.2
167.07016	0.6
181.04916	0.2
184.07314	100.0
185.07669	0.3
187.07578	0.2
209.16417	0.2
210.14912	0.2
258.10971	0.2
285.07584	0.2
286.07816	0.2
300.56766	0.2
385.24271	0.2
387.18188	0.2
530.28595	0.2
548.29724	1.5
557.41779	0.3
566.30780	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	567.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34433	0.3
55.05473	0.9
57.03400	0.5
67.05505	2.5
69.03394	0.4
69.07021	0.7
71.61213	0.4
79.05425	1.0
81.03366	1.0
81.07049	1.8
82.30714	0.3
83.04935	0.6
83.08569	0.6
85.02867	0.4
86.09661	0.4
88.87186	0.3
91.05416	0.9
91.98242	0.3
93.07006	0.8
95.04927	0.7
95.08556	1.0
97.02837	0.4
105.06949	1.1
107.08496	0.7
109.10069	0.9
117.06960	0.5
119.08570	0.5
121.10079	0.6
123.04401	3.9
124.04676	1.4
131.08537	0.8
133.10120	0.5
135.08020	0.4
136.12007	0.3
139.03798	0.4
147.04367	0.4
147.11607	0.5
149.09563	0.3
154.05675	0.3
157.10052	0.4
165.05464	0.4
168.15247	0.3
184.03401	0.4
184.07230	0.9
185.04121	0.9
193.12166	0.4
201.03639	0.5
203.05223	1.5
231.10040	1.0
232.10379	0.6
233.11021	0.4
259.07941	1.9
283.15170	3.5
323.93579	0.4
331.09723	1.3
331.18277	0.4
339.17789	2.3
358.01688	0.3
387.16019	0.7
405.22278	1.7
413.22400	0.3
414.23181	1.4
415.24030	2.4
469.19922	0.5
545.18506	0.4
549.27539	0.6
567.27289	100.0
568.27826	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	567.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
55.05497	1.6
56.14161	0.4
57.03421	1.0
59.04977	0.7
67.05496	3.8
69.03374	0.5
69.07052	1.0
70.52203	1.3
71.04976	0.9
74.54073	0.5
77.87022	0.5
79.05466	2.0
79.46642	0.4
81.03407	3.4
81.07037	3.2
83.04968	2.0
83.08585	1.0
85.02879	1.8
86.09700	0.6
88.50813	0.4
91.05460	2.6
93.07045	2.2
95.04964	1.5
95.08590	1.6
97.02830	0.6
105.07011	2.0
107.04924	0.7
107.08565	1.8
109.02814	0.4
109.06435	0.5
109.10125	2.0
111.08048	0.6
119.08572	1.8
121.10126	1.4
123.04406	1.7
123.08027	0.6
124.04752	0.6
129.06952	0.5
131.08525	1.4
133.06474	0.5
133.10083	1.2
145.10086	0.5
147.11664	1.1
149.09624	1.2
149.13240	0.8
157.10089	0.9
183.11597	0.5
184.07332	2.0
185.04175	0.7
193.12192	0.8
201.03729	0.6
203.05304	1.2
211.13145	0.6
231.10217	0.5
233.11308	1.0
237.02704	0.6
251.12471	1.3
259.07904	2.1
279.03870	0.6
283.15125	11.7
307.15152	0.6
331.09848	1.6
339.17734	5.3
349.16837	0.7
381.19305	0.5
405.22388	1.4
414.23596	0.6
415.23566	1.5
483.09659	0.6
567.29980	100.0
568.28400	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05503	9.8
57.04954	1.2
57.07072	8.1
59.04995	1.7
65.03923	2.7
67.05156	1.8
67.05500	18.3
67.17249	1.1
69.03416	2.5
69.07063	13.1
70.06580	2.4
71.04969	1.6
71.08600	1.4
77.03906	2.3
79.05490	21.3
80.06258	3.6
81.07051	30.9
83.04990	2.3
83.08611	3.8
85.06519	4.2
88.07615	2.1
91.05474	38.4
93.06458	2.8
93.07035	48.4
94.07827	3.0
95.04958	40.8
95.08596	29.9
97.06519	2.8
102.09186	1.2
103.05455	4.1
105.07021	84.3
106.07815	3.1
107.04988	1.2
107.07848	2.3
107.08582	41.5
109.06508	6.5
109.09443	1.7
109.10145	20.0
111.08059	2.2
115.05418	3.6
116.06223	2.4
117.07002	23.7
118.07824	3.2
119.08567	100.0
120.09433	7.9
121.06483	2.6
121.09296	2.0
121.10130	31.9
123.08061	16.7
123.11692	5.1
125.09636	2.6
128.06216	9.1
129.06989	16.2
130.07787	9.9
131.08559	48.9
132.09331	9.2
133.06476	1.8
133.10114	58.2
134.10913	7.9
135.08037	5.8
135.11682	18.5
137.09563	7.2
138.10406	10.0
139.11160	1.4
141.06949	7.8
142.07765	19.2
143.08543	43.1
144.09337	13.2
145.06459	1.7
145.10107	89.0
146.10962	6.8
147.08057	2.7
147.11668	22.7
149.09639	3.6
149.13213	4.1
151.11182	3.7
153.06975	3.3
154.07726	2.7
155.08539	15.3
156.09337	18.3
157.10114	53.2
158.10905	13.4
159.11670	39.4
160.12469	4.4
161.09593	5.2
161.13243	7.7
163.11026	2.6
165.06952	3.9
166.07718	3.0
167.08549	7.4
168.09296	5.1
169.10114	26.9
170.10884	9.5
171.11685	34.3
172.12405	6.0
173.09598	2.3
173.13240	28.1
174.13979	1.6
175.11166	3.1
175.14809	21.7
177.12773	5.6
179.08540	10.0
180.09323	5.0
181.10129	13.3
182.10939	8.7
183.11674	28.7
184.12445	5.0
185.13239	23.8
186.14055	6.2
187.14803	15.4
189.12712	4.9
191.14272	8.7
192.09332	2.5
192.14981	2.3
193.10077	7.2
193.15807	1.7
194.10861	8.9
195.11650	20.3
196.12437	8.9
197.13237	27.1
198.13986	6.9
199.14799	12.6
200.15495	2.1
201.12692	3.2
201.16354	8.3
205.10071	3.3
206.10893	4.3
207.11644	7.9
208.12477	4.2
209.13232	25.7
210.13922	4.2
211.14761	19.7
212.15561	2.5
213.16348	5.8
215.14322	3.4
217.15872	5.4
218.16695	2.2
219.17378	2.1
220.12329	2.2
221.13271	8.5
222.13930	2.9
223.14810	12.5
224.15514	5.3
225.16301	6.6
226.17146	3.7
227.14244	1.7
227.17915	1.8
231.11674	1.6
231.17360	2.8
232.12408	2.0
233.13219	3.6
234.14023	1.7
235.14772	4.8
236.15575	2.0
237.16357	8.2
239.17931	4.4
241.19510	2.9
245.19052	1.6
246.14037	2.0
247.14577	2.3
249.16420	5.4
251.17863	4.1
253.19490	1.9
255.17554	1.5
257.18954	2.6
258.19800	1.7
259.14725	1.5
259.20529	2.6
261.16312	2.9
262.16864	1.3
263.17929	5.7
264.18610	1.8
265.19461	4.7
267.21103	2.4
269.19000	1.9
272.21320	1.7
275.18085	1.5
277.19485	4.0
279.21155	3.0
283.20493	3.0
284.29416	3.2
285.22110	4.2
287.17749	1.5
291.21091	2.3
295.20679	2.0
297.22095	3.6
305.22574	2.1
309.22012	2.0
311.29425	4.0
323.23660	5.9
337.25250	3.2
338.26016	52.8
347.23547	1.6
349.25256	1.6
351.26816	2.0
363.26932	1.6
375.26663	1.8
415.29593	1.9
420.30341	2.9
430.32266	17.0
458.35513	1.6
476.30206	2.3
476.36438	26.1
568.42725	42.3
568.56213	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	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20908	0.2
55.05497	0.3
59.96722	0.2
67.05496	0.4
69.07062	0.5
69.88738	1.1
75.56010	0.2
79.05481	0.5
79.60873	0.2
81.07041	0.9
83.04961	0.2
88.24796	0.2
91.05462	0.5
93.07014	0.7
95.08594	1.0
98.21066	0.6
105.07026	0.8
107.08604	1.3
109.10139	0.3
116.98605	0.2
119.08590	0.8
121.10147	0.7
124.99960	0.2
129.07008	0.3
131.08543	0.8
133.10124	0.7
135.11705	0.6
137.13278	0.2
143.08583	0.4
145.10118	0.5
147.08034	0.3
147.11681	0.5
149.09627	0.3
155.08499	0.4
159.08063	0.7
159.11688	0.4
161.09621	0.7
171.11685	0.3
173.09647	0.3
173.13162	0.2
177.09123	0.2
183.11731	0.3
184.07309	0.3
185.04240	0.5
185.13197	0.2
187.14836	0.3
189.16402	0.2
191.17937	1.0
197.13258	0.4
203.05244	1.1
203.17918	0.3
213.12756	0.3
215.14311	0.6
231.13814	0.3
233.15361	0.2
243.13823	0.9
259.07983	1.3
259.10278	0.2
261.14774	1.0
271.13892	0.4
279.15881	2.1
331.10007	0.4
333.20255	0.4
387.30298	0.4
403.29782	0.4
405.31458	0.4
407.24014	1.8
421.30936	0.5
433.31268	0.5
451.32172	0.9
457.20370	2.7
469.33252	0.5
471.21783	2.5
487.21506	1.0
551.28979	0.2
569.29260	100.0
570.29724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
57.03422	0.6
67.05482	0.3
68.59441	0.2
69.03408	0.3
69.42696	1.6
69.43105	0.5
73.02898	1.2
81.07036	0.7
83.01093	0.3
83.04976	0.6
85.02895	0.6
91.05462	0.4
93.07028	0.3
95.00987	0.2
95.08596	0.8
97.02872	0.4
105.07026	0.5
107.08581	0.8
108.11335	0.2
109.10188	0.3
119.08569	0.5
121.10128	0.6
124.73208	0.2
133.10132	0.2
135.08058	0.3
135.11656	0.4
145.10117	0.3
147.08073	0.2
169.05141	0.2
175.02652	0.2
176.93205	0.2
184.03363	0.3
185.04201	0.6
191.17891	0.3
201.03664	0.3
203.05309	1.3
219.01721	0.4
237.02745	0.6
259.07889	1.6
275.07373	0.3
279.15793	0.3
331.09933	2.0
333.20221	0.4
335.03043	0.3
345.11499	0.3
351.19745	0.3
373.14554	0.3
387.16241	0.8
406.19949	0.3
407.24017	2.2
427.19611	0.3
441.20972	2.8
443.22394	1.1
457.20538	0.3
458.81564	0.2
471.15942	0.3
471.21808	1.1
499.21512	1.0
569.29254	100.0
570.29633	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01868	1.8
55.05510	9.5
57.03421	2.4
57.07053	4.6
59.04971	1.8
67.05211	1.2
67.05498	14.3
69.03416	2.2
69.06705	1.7
69.07057	16.2
71.07533	3.5
73.02890	4.3
75.43270	1.2
79.05473	13.2
81.07040	29.1
83.04982	8.9
83.08591	4.7
85.02910	2.2
91.05470	18.6
92.90874	1.2
93.07035	24.7
95.04936	5.7
95.08591	49.9
97.02871	1.4
97.06521	4.1
97.10115	1.8
98.97575	2.2
105.07015	32.4
107.04865	1.8
107.08576	43.3
109.06490	5.8
109.10141	18.0
111.07982	1.5
115.05432	1.8
117.06985	8.7
119.08561	33.0
121.06474	5.9
121.10126	27.2
123.08049	3.7
123.11698	10.9
128.06198	4.8
129.06973	5.9
130.07803	1.5
131.08545	25.4
133.06477	3.5
133.10109	30.8
135.07988	6.0
135.11671	28.1
137.09615	2.9
137.13216	9.6
141.06961	2.9
142.07753	3.1
143.08537	12.0
145.06451	6.0
145.10094	28.7
146.07222	3.3
147.08015	20.6
147.11642	12.9
149.05942	3.2
149.09593	9.8
149.13246	8.1
150.54735	1.4
151.07521	2.5
151.11095	1.7
151.14786	3.7
154.07675	1.3
155.08521	10.1
156.09315	5.5
157.10123	11.1
158.07257	2.0
159.08029	19.6
159.11633	11.6
161.05923	1.7
161.09587	31.4
161.13248	8.1
163.07506	5.7
163.11214	2.0
163.14790	1.8
165.06961	2.5
165.09097	6.6
167.08508	2.4
168.09296	2.6
169.10056	9.1
170.10817	2.6
171.08035	3.7
171.11684	12.8
172.08734	2.9
173.09598	15.2
173.13191	9.4
175.07529	6.2
175.11160	2.2
175.14777	7.8
177.09064	5.5
177.16354	1.9
181.10085	3.4
182.10876	6.9
183.08131	2.5
183.11612	5.2
185.09605	5.8
185.13260	8.5
186.10281	1.8
187.07532	3.8
187.11108	5.6
187.14778	13.1
189.00714	1.6
189.09067	2.2
189.12706	5.3
189.16350	11.0
191.17921	55.4
193.10098	3.1
194.10925	1.6
195.08038	3.0
195.11632	3.9
196.08853	1.6
197.13203	15.1
198.10381	3.1
199.11089	5.0
199.14789	4.9
201.09006	3.5
201.12694	8.7
201.16360	6.7
203.14304	6.8
203.17946	11.2
205.19453	1.6
207.11665	3.5
209.13187	3.7
210.10442	1.6
211.11040	2.0
211.14763	1.7
213.12703	11.3
213.16393	2.9
215.14278	26.9
215.17770	1.8
217.12186	4.2
217.15826	1.5
219.01743	3.2
219.09982	2.4
219.13785	3.8
221.13181	4.0
223.11201	2.0
223.14722	3.6
225.12683	9.0
225.16217	2.1
229.12173	2.1
229.19418	8.3
231.13765	19.2
233.13297	2.2
233.15294	10.2
235.14873	1.7
237.02827	6.8
237.16330	3.3
239.14169	2.3
239.17969	1.8
241.19519	3.9
243.13794	39.8
245.15414	1.6
249.16666	2.7
250.48665	1.4
251.17964	2.4
253.15898	2.5
253.19444	2.5
255.17336	1.6
255.20947	5.7
257.22733	2.0
261.14783	40.6
267.17480	3.0
279.03769	4.5
279.15857	100.0
280.16370	1.5
297.18408	2.5
308.31470	1.3
313.17984	1.9
317.22528	2.0
334.85718	1.4
335.02615	6.7
373.24930	1.7
377.32013	1.4
387.30338	11.9
401.62347	1.4
403.29840	9.6
405.31482	29.9
415.30090	6.7
421.30896	20.5
423.32559	2.8
433.30981	23.5
439.31888	2.8
451.32062	36.1
469.33121	15.0
482.20920	1.3
551.36688	1.5
569.29285	11.6
570.29535	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95466	1.6
53.03934	3.2
54.81043	1.4
55.01871	2.2
55.05505	20.0
57.07058	7.1
59.04983	3.4
61.16499	1.5
65.03923	2.6
67.05495	19.0
69.03425	5.6
69.07066	19.2
71.04977	1.9
79.05489	17.9
81.03442	1.6
81.07050	38.7
83.04973	19.3
83.08620	9.1
85.02885	3.4
91.05473	21.5
93.07034	38.9
95.04985	7.6
95.05483	1.5
95.08598	60.9
96.30957	1.6
97.02946	1.9
97.06517	4.6
97.10172	3.0
98.21098	9.3
99.07061	1.3
103.05464	1.6
105.07019	42.0
107.04930	3.6
107.08585	57.1
109.06526	5.8
109.10140	26.8
111.04388	2.4
115.05431	2.8
116.06252	2.4
117.07001	11.6
119.08574	45.9
121.06503	8.1
121.10135	37.6
123.04506	2.0
123.08045	7.7
123.11699	11.5
128.06206	4.1
129.06973	8.3
130.07820	1.8
131.08548	35.1
133.06511	3.8
133.10117	38.0
135.08090	7.8
135.11673	30.9
137.05975	3.8
137.13242	14.0
139.03896	1.7
141.06999	5.0
142.07782	4.1
143.08551	15.9
144.09363	3.6
145.06468	7.4
145.10106	40.2
146.07286	1.8
147.08034	21.0
147.11673	16.9
149.06017	2.3
149.09599	15.2
149.13274	10.5
151.07567	5.4
151.14847	5.2
153.07019	2.7
154.07719	2.4
155.08560	10.4
156.09370	7.7
157.10110	18.5
158.07343	2.5
159.08040	27.5
159.11642	16.3
161.06027	2.4
161.09599	35.3
161.13194	8.7
163.03889	1.7
163.07555	5.9
163.11218	1.9
163.14879	3.5
165.09053	11.4
167.07065	4.6
167.08559	4.7
168.09468	1.7
169.10110	13.3
170.10898	3.4
171.08090	3.7
171.11682	16.9
173.06070	1.9
173.09608	19.3
173.13181	11.4
175.07556	7.1
175.11241	4.3
175.14803	10.5
177.09154	8.1
177.12822	1.8
181.10165	4.9
182.10905	6.4
183.08090	5.3
183.11667	9.2
184.07452	3.1
185.09610	7.9
185.13188	8.8
186.10434	3.3
187.07599	6.0
187.11214	7.8
187.14810	16.4
189.09135	4.5
189.12785	6.0
189.16370	14.5
191.10651	3.1
191.14290	2.5
191.17929	53.2
192.09334	1.8
192.64572	1.6
193.10159	3.0
195.07980	2.6
195.11705	4.9
197.09648	4.1
197.13266	17.3
198.10341	3.4
199.11208	5.1
199.14842	4.4
201.09131	4.5
201.12747	8.1
201.16290	7.3
203.10710	3.5
203.14352	5.2
203.17946	14.2
205.12308	1.7
205.19539	4.3
207.11627	5.1
209.13307	4.3
210.10414	2.0
211.14832	4.6
213.12692	11.9
213.16458	4.4
215.10811	2.8
215.14282	35.1
215.17966	4.3
217.12257	4.7
217.19431	3.6
219.10118	2.4
219.11995	2.1
219.13890	4.2
220.12633	1.9
221.13269	4.0
223.14832	4.3
225.12726	12.8
225.16234	4.1
227.14345	2.5
227.17868	1.9
229.12395	3.4
229.15988	1.9
229.19510	7.4
231.13811	20.6
233.11562	2.2
233.15407	11.3
235.14961	4.0
237.12897	1.8
237.16409	3.5
239.14389	2.1
239.18033	2.5
241.15799	2.5
241.19621	4.1
243.13789	45.5
245.15393	2.0
247.13278	3.6
249.14473	2.4
249.16745	4.1
251.17914	1.9
253.15892	3.7
253.19508	1.7
255.17430	1.5
255.21178	2.8
261.14780	37.1
261.17148	2.3
267.17468	4.5
269.18985	1.8
271.17059	2.8
279.15863	100.0
293.19235	1.9
295.17084	1.7
297.18369	3.5
333.72882	1.7
345.25781	1.8
359.15024	2.1
377.32303	2.5
387.30484	16.1
403.30090	10.1
405.31464	30.8
415.30069	6.1
421.30963	23.1
423.32858	4.3
433.31000	33.1
439.32114	4.4
451.32050	52.9
469.33099	23.0
551.37775	2.2
569.29266	73.4
570.30109	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	569.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61755	1.7
53.03938	2.5
55.05501	6.6
57.03428	1.9
57.07057	2.0
61.36340	1.6
67.05492	7.8
69.03428	2.9
69.07068	10.5
69.81435	10.3
73.02915	3.1
75.38155	1.4
79.05492	6.7
81.07052	21.2
83.04971	5.1
83.08580	2.1
85.02912	2.8
91.05468	12.4
93.07033	18.3
95.04953	6.2
95.08602	30.2
97.10166	3.5
103.05447	2.4
105.07023	20.3
107.08585	28.1
109.06477	1.8
109.10129	9.8
117.07030	3.7
119.08578	19.7
121.06521	3.3
121.10135	16.1
123.08080	2.0
123.11699	6.6
129.06985	4.4
131.08527	17.2
133.06480	2.8
133.10117	14.1
135.08051	3.9
135.11691	19.5
137.09705	1.9
137.13231	3.8
142.07776	2.5
143.08583	9.7
145.06470	5.4
145.10121	15.8
146.07228	2.1
147.08073	11.1
147.11705	6.1
149.09592	10.0
149.13260	3.0
149.36464	1.9
151.07581	2.6
155.08557	6.9
157.10117	7.7
159.08051	11.6
159.11716	6.8
161.09619	17.9
161.13249	4.1
163.07387	2.8
163.11153	1.9
165.09119	4.3
167.08609	3.3
169.10117	4.5
171.08070	3.3
171.11717	5.0
173.09601	12.3
173.13255	6.2
175.07574	5.2
175.11163	2.7
175.14838	4.3
177.09076	5.3
182.10938	2.5
183.08102	3.0
183.11739	2.2
185.13257	4.9
187.07558	2.3
187.11197	4.0
187.14801	9.8
189.12823	2.5
189.16400	7.3
191.17928	33.1
193.10226	2.2
197.13271	7.6
198.10327	2.4
199.11034	1.7
199.14769	3.0
201.08987	2.2
201.12750	4.9
203.10652	1.8
203.14354	3.9
203.17973	5.9
213.12720	8.1
215.10960	1.7
215.14299	18.4
215.18004	2.8
217.12303	3.1
219.01799	4.2
225.12772	4.4
229.19513	5.0
231.13811	10.6
233.15436	6.0
237.02850	6.1
243.13765	21.4
249.16640	2.0
251.17889	2.1
253.15778	2.1
255.21005	1.9
257.96152	1.8
261.14886	22.6
267.17563	2.7
279.03979	4.6
279.15863	56.0
335.02798	5.8
387.30450	6.0
403.30145	4.8
405.31406	18.2
407.24478	1.9
415.30115	5.7
421.31027	10.2
433.31107	12.0
439.32251	2.2
451.32074	17.7
469.27194	1.6
469.33105	9.5
569.29291	100.0
570.29877	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	569.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.7
50.66456	0.7
50.66721	0.6
51.00894	0.7
51.02370	0.9
53.03946	4.0
55.01868	5.5
55.05503	34.8
57.03413	1.2
57.07088	1.3
65.03935	3.7
67.05499	40.2
69.03447	0.9
69.06717	1.1
69.07066	16.1
69.28143	8.4
71.04980	2.4
71.08594	0.8
73.06558	0.7
77.91264	0.7
78.46284	0.9
79.05486	38.2
81.03408	5.1
81.07050	34.9
83.04978	6.3
83.08128	1.4
83.08611	24.0
85.02876	0.9
85.06525	1.7
88.56651	0.8
91.05471	45.7
93.07033	42.9
95.04958	26.0
95.08593	26.2
96.66299	0.7
97.06520	7.0
97.10165	5.0
99.08125	0.8
103.05473	1.6
105.07021	46.0
107.04949	10.8
107.08582	26.8
109.06495	5.0
109.10138	12.1
111.08060	5.1
115.05484	1.2
117.07002	13.5
119.04898	1.0
119.08567	40.1
120.09321	1.0
121.06503	6.3
121.10128	20.2
123.08059	4.4
123.11684	2.9
125.09644	5.0
128.06213	2.0
129.07001	7.2
130.07811	0.9
131.08554	21.9
133.06494	1.7
133.09099	1.7
133.10114	33.6
134.10915	1.1
135.08070	6.1
135.11670	13.3
137.09570	4.6
139.11163	2.6
141.06960	2.4
142.07727	1.1
143.08528	5.9
144.09415	0.9
145.06505	1.7
145.10104	27.2
145.11259	1.5
147.08040	1.9
147.11681	22.9
149.09602	28.3
149.13252	4.7
151.11189	3.2
155.08551	4.8
157.10081	6.2
157.74802	0.8
159.11670	14.3
161.09628	2.4
161.13245	8.6
163.11165	28.9
163.14833	2.0
165.12743	4.7
167.10704	0.8
169.10130	5.9
171.11662	7.5
173.09618	2.9
173.13240	8.0
175.11205	3.6
175.14745	3.7
177.12708	2.9
181.10144	1.4
181.12184	1.4
183.11592	4.4
185.13245	2.2
187.11179	2.1
187.14816	2.7
189.11217	3.4
189.12712	2.4
191.14351	1.1
194.10745	0.8
195.11693	1.2
197.13283	5.1
199.14781	2.0
201.12750	1.7
201.16365	1.3
205.12207	1.1
207.13817	1.0
211.14833	3.5
213.16383	2.7
215.14296	1.2
215.17982	1.4
219.13867	0.8
223.13229	15.1
229.15891	0.9
229.19513	3.5
231.21135	1.5
233.15337	1.2
237.14662	1.0
239.17941	10.4
241.19455	2.7
247.16887	1.4
247.20621	1.8
257.01624	0.8
257.18985	15.2
259.20651	7.8
275.20035	100.0
276.20770	6.4
277.21576	23.1
287.90192	0.9
293.21063	25.1
301.21619	2.0
343.26447	1.7
423.32599	2.7
441.33530	5.1
443.31213	1.8
457.33185	1.1
533.39014	1.9
551.40784	8.0
569.41956	10.2
569.56543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44509	1.6
55.01865	3.8
55.05505	18.8
57.03442	2.7
57.07064	2.9
65.03918	4.2
67.05167	2.5
67.05500	40.6
69.07062	15.0
69.27999	4.3
69.28414	15.9
71.04972	3.5
77.00278	1.7
79.05483	38.8
81.03409	1.9
81.06575	3.9
81.07049	69.7
83.04948	4.4
83.08608	14.0
85.06515	3.8
91.05469	54.0
93.07032	42.9
95.04945	9.9
95.08595	32.2
97.06519	4.5
97.10155	3.0
98.21485	4.1
99.08083	3.3
105.07015	63.7
107.04942	5.7
107.08581	28.8
109.06511	14.7
109.10149	12.9
111.08093	4.0
113.09573	2.1
115.05437	2.6
117.07008	15.1
119.08563	62.9
121.06483	5.0
121.10129	23.8
123.08030	5.6
123.11686	6.6
125.09632	1.7
128.06230	2.2
129.06970	10.9
131.08559	24.2
133.10120	52.0
135.08002	4.6
135.11665	16.2
137.09579	2.9
140.81650	1.5
141.06909	2.5
143.08575	10.1
145.10118	24.4
147.08009	2.5
147.11673	53.7
149.09586	11.2
149.13239	11.1
151.11140	2.8
155.08469	2.0
157.10112	10.3
159.11670	18.6
161.09541	1.9
161.13246	31.3
163.11240	10.2
163.14827	3.8
164.66006	1.7
165.12700	6.0
169.10120	4.2
171.11652	10.8
171.68428	2.0
173.13249	11.2
175.11208	1.9
175.14796	11.1
177.12761	2.6
185.13277	10.7
187.14810	3.0
189.12639	3.0
191.14262	2.8
193.12227	2.1
197.13353	2.2
199.14818	6.3
203.14287	2.6
215.17865	2.4
217.15840	1.7
223.13194	2.2
229.19450	3.4
231.17332	2.1
231.21063	7.8
239.17940	3.5
241.15981	1.8
241.19452	25.1
247.20590	3.4
257.18954	12.5
259.20544	100.0
275.20035	58.5
277.21573	6.9
293.21066	17.1
316.76410	1.8
423.32147	2.3
434.07166	2.1
533.39758	6.3
551.40985	15.6
569.41913	11.7
569.56775	7.5
583.44135	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01869	6.6
55.05506	37.7
57.03439	5.1
57.07073	3.0
58.16124	1.9
60.49445	2.1
65.03946	3.1
67.05497	61.6
69.03445	3.6
69.07065	20.3
70.89558	6.2
71.04990	6.8
79.05479	47.3
81.03423	7.7
81.07049	100.0
81.75452	2.0
83.04982	9.7
83.08609	20.2
85.06540	4.0
91.05470	41.2
91.05999	3.1
93.07037	51.2
95.04961	17.1
95.07672	2.6
95.08601	40.5
97.06539	7.8
97.10171	13.8
99.04497	2.2
99.08082	3.0
105.07018	41.4
107.04969	8.9
107.08577	38.6
109.06528	25.4
109.10154	23.4
111.04448	5.3
111.08075	6.0
115.05448	2.3
117.07014	16.7
119.08566	41.2
121.06514	9.2
121.10125	27.9
123.08079	13.3
123.11721	7.2
125.09637	8.1
128.06209	2.4
129.06995	14.1
131.08577	30.8
133.06540	4.3
133.10118	27.2
135.08092	7.2
135.11697	15.6
137.09641	4.8
139.11157	2.4
141.06999	4.4
142.07793	2.2
143.08501	14.7
145.06519	2.2
145.10114	28.8
147.08090	9.1
147.11647	15.7
149.09659	6.2
149.13260	7.6
153.09134	3.3
155.08557	5.6
157.10086	13.4
159.08072	4.7
159.11655	19.4
161.09642	9.6
161.13257	7.7
162.56389	2.1
163.11119	9.8
163.14787	2.4
165.16771	2.2
169.10104	10.9
171.11667	15.3
173.09604	5.1
173.11923	3.6
173.13289	11.2
175.11282	4.7
177.12755	2.6
179.08636	2.6
181.10187	2.8
181.12219	2.7
183.11716	5.5
185.13307	8.9
187.11253	4.2
187.14861	4.7
189.11264	5.9
191.10690	2.5
195.11708	5.5
197.13295	6.6
199.11305	3.6
199.14891	5.5
201.16354	2.4
209.13326	4.3
211.14821	4.2
213.16348	4.2
214.84001	2.2
217.15932	2.7
227.18098	2.6
227.89099	2.0
235.16827	2.5
237.16370	3.4
241.19649	3.5
243.21080	2.9
245.19206	3.8
250.84674	1.9
259.20639	7.0
261.22083	18.5
273.18488	28.2
275.19943	10.6
277.21866	3.4
279.23325	4.0
289.21655	3.8
291.19507	56.9
343.26367	3.0
395.29172	4.1
409.31183	3.2
413.30350	4.8
431.31619	12.0
445.33127	9.4
451.32193	3.8
469.33286	2.6
515.39172	8.4
533.39868	21.9
551.40967	46.7
569.42078	73.3
569.56989	4.5
570.42816	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	570.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01854	1.8
57.03434	4.5
60.08147	3.8
61.02921	7.1
65.03920	1.3
69.03419	13.8
69.90521	4.0
71.04987	2.5
71.07349	0.8
73.02910	4.1
77.06700	0.7
77.62910	0.6
79.02911	0.6
79.05481	2.6
81.03416	4.5
83.04971	0.7
83.08626	0.6
85.02894	74.6
86.09692	18.6
87.04460	1.4
91.03955	5.0
91.05469	100.0
95.04946	1.0
95.08596	0.8
97.02882	21.3
98.98493	1.3
99.04453	4.0
104.10722	2.3
105.07017	1.0
107.04942	55.1
107.08482	0.7
109.02868	7.2
115.03894	1.4
123.68887	0.6
124.99995	11.4
125.21461	0.6
127.03902	21.3
137.05911	0.6
145.04942	34.6
163.06000	11.3
163.07365	1.2
167.07111	0.8
184.07315	63.7
191.06999	1.5
208.09709	1.9
229.08574	4.2
240.62639	0.8
336.17477	0.7
390.26318	0.8
452.24237	2.0
455.33270	0.7
534.32092	1.3
552.32977	1.4
570.33923	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	570.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03675	0.4
53.03931	0.8
53.47684	0.4
55.01871	0.7
55.05500	1.6
57.03434	6.3
61.02917	1.2
65.03938	1.0
67.05490	0.8
67.51988	0.4
69.03425	1.9
69.07041	0.5
69.47771	4.1
70.06587	0.5
71.01345	0.5
71.04985	59.9
73.02914	2.3
73.91142	0.4
75.04473	4.3
76.62943	0.4
79.05483	1.1
81.03403	1.2
81.07057	1.0
83.04974	5.1
84.08116	0.6
85.02895	78.1
86.06042	1.0
86.09689	1.3
87.04471	1.6
91.05470	100.0
92.05785	0.8
93.07016	0.6
95.08587	0.9
95.41515	0.4
97.02887	4.5
97.06425	0.4
99.04453	1.3
103.03934	0.8
105.07001	1.3
107.04933	0.9
107.08560	0.8
110.07124	0.5
111.04428	3.0
119.08513	0.7
121.10126	0.5
127.03909	2.9
129.05466	35.4
133.06464	0.7
135.11729	0.5
137.05923	0.6
145.04948	1.4
145.06447	0.8
147.06503	17.1
149.05963	0.5
163.05974	0.5
164.09123	1.7
165.07570	0.6
167.03291	0.6
167.06992	1.5
184.07339	3.2
191.06998	1.5
208.09622	2.2
209.08002	0.5
225.07529	0.8
227.06847	0.5
237.07397	0.7
245.08051	6.7
255.08562	1.9
273.09534	0.9
309.11606	0.5
330.79388	0.5
570.26654	0.7
571.20557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67751	0.9
55.05495	2.6
55.57880	0.9
57.03429	8.3
60.04505	0.9
61.02914	1.2
64.10821	1.0
65.03944	2.1
67.05482	1.6
69.03410	3.5
70.06587	1.9
70.74500	3.5
71.04986	66.3
73.02897	3.6
75.04456	3.6
79.05481	2.1
81.03446	1.1
81.07011	1.4
83.04972	5.4
85.02898	85.5
86.09701	1.5
86.59014	0.9
91.05474	100.0
92.05825	1.3
93.07027	2.1
97.02871	4.6
99.04453	1.6
103.03944	1.1
104.07073	1.0
105.07022	3.5
107.04929	5.5
107.08546	1.1
109.02882	1.5
111.04439	3.5
116.98578	1.4
119.08555	1.4
121.06494	0.9
123.04397	1.1
127.03877	3.3
129.05472	33.0
131.04828	1.2
133.06468	2.2
137.02345	1.0
137.05934	3.3
145.04951	2.6
147.06509	14.2
161.05968	1.8
163.03986	1.2
163.06044	1.3
163.07468	1.6
165.07637	1.1
167.03383	4.3
167.07036	4.2
175.07372	1.5
177.09084	6.1
179.03406	1.3
181.08585	3.0
189.09135	1.9
193.08565	4.4
211.07364	1.1
229.05063	1.3
237.07295	1.1
245.08025	3.4
247.06015	2.7
255.08562	1.2
259.09726	3.1
269.08087	4.6
281.06622	1.1
293.08060	1.5
311.09045	3.0
323.08893	1.3
335.09155	1.3
337.10660	5.2
353.10077	2.4
355.11676	5.4
361.16403	6.5
371.10727	1.2
373.12659	5.7
389.12271	3.1
440.39734	1.1
537.87048	1.3
570.32623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80756	0.8
54.12755	1.0
55.01844	1.1
69.03416	2.1
69.07021	0.9
71.61335	1.3
79.05479	2.3
79.71369	0.8
85.02894	6.6
91.05463	4.3
93.07018	3.4
95.04919	2.2
97.02866	2.9
103.05441	2.6
105.07008	2.5
107.04928	6.8
109.02837	0.9
109.06535	1.2
111.04380	1.3
117.06998	1.5
119.04892	1.4
121.06490	5.7
123.04388	2.8
124.05176	1.2
124.35657	0.9
127.03880	1.6
128.06273	1.3
129.06995	9.8
130.04124	0.9
131.04904	3.9
131.08568	7.0
133.02942	0.8
133.06482	1.6
135.08038	2.0
137.05974	7.0
139.03938	1.1
141.06981	3.5
145.04932	1.5
145.06451	2.3
146.07285	0.9
147.04378	1.6
148.05109	0.9
149.05963	2.1
151.03810	1.4
151.07526	5.8
153.05417	3.9
157.06477	10.7
158.07220	2.4
159.08047	5.3
161.05965	11.4
161.09589	2.6
163.07483	7.0
165.05438	1.2
165.06923	1.2
165.09071	2.9
166.06328	1.7
167.07027	32.6
169.06412	1.9
174.06747	13.2
175.07521	8.7
177.05405	1.0
177.09131	4.9
179.07016	1.8
180.08662	2.8
181.08583	32.7
181.10194	1.9
182.07269	1.3
183.08092	1.0
186.06792	1.7
187.07599	1.1
189.09077	41.9
191.07018	2.2
191.10571	2.2
195.08063	1.7
197.09604	2.2
201.09079	6.8
207.10075	5.6
210.06699	0.9
219.10126	68.0
220.10538	1.4
221.05940	1.7
223.07434	1.8
223.11176	1.1
225.09061	5.2
229.12216	1.5
235.07471	0.9
237.08884	1.0
239.10609	1.0
240.07677	1.0
251.07188	1.0
251.10582	1.8
253.08611	5.2
255.10265	1.1
257.11749	6.6
270.08530	1.1
271.13223	1.2
279.10062	2.1
279.87894	0.9
283.09497	3.2
283.13269	3.1
285.11142	9.8
296.10269	1.0
297.11087	1.4
299.09250	1.0
299.12607	1.1
302.11548	1.2
311.12689	1.6
315.12164	6.6
317.13818	10.7
329.13757	1.6
329.71191	0.9
331.15210	2.4
341.13693	1.1
343.15308	17.3
361.16403	100.0
362.16806	1.5
373.16296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01843	5.1
55.05509	17.6
57.03407	2.5
63.51484	2.1
67.05499	19.1
67.88250	2.6
69.07040	9.7
79.05485	18.8
81.03394	6.5
81.07053	24.5
83.04975	4.6
83.08605	17.5
88.07632	3.3
91.05461	17.7
93.07037	17.3
95.04945	20.1
95.08588	18.4
97.10163	7.1
98.20887	10.1
98.21593	4.3
102.09196	4.1
105.07019	21.0
107.04917	4.7
107.08598	15.4
109.06483	7.1
109.10144	7.7
111.08015	3.6
117.06981	8.8
119.08585	14.5
120.96607	11.0
121.06506	4.6
121.10151	11.6
123.08070	4.3
125.09654	3.7
129.07008	3.0
131.08537	10.0
133.10114	19.1
135.07974	3.6
135.11626	6.4
137.09578	3.1
145.06459	3.1
145.10118	18.4
147.11658	13.8
149.05943	4.2
149.09596	14.8
151.11130	5.7
155.08498	3.5
159.11652	11.2
161.13115	3.8
163.11127	18.2
164.00766	10.7
165.12727	4.4
169.10051	3.5
169.47107	2.6
171.11676	3.6
173.09659	3.6
173.13248	2.7
177.12715	2.6
179.14343	2.9
183.11591	2.8
189.11206	4.8
193.12161	5.8
210.61285	2.2
211.13383	2.7
214.09811	2.9
223.13295	16.5
229.19585	3.7
239.17896	7.8
256.26376	5.9
257.19043	15.2
275.20004	100.0
293.18137	4.1
293.21085	40.5
341.09988	3.4
376.52225	3.2
414.64481	2.3
429.29639	4.5
449.30081	6.8
467.31293	5.8
485.32208	8.1
503.33249	4.7
527.27374	7.2
565.90808	5.7
570.33289	15.8
571.22052	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	571.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99826	1.0
63.68040	1.0
69.03417	1.3
70.97364	1.0
70.97705	2.1
78.23115	1.0
78.74139	0.9
82.99890	2.9
85.02879	1.6
86.99345	0.9
91.43852	0.9
97.02875	2.4
98.97521	2.0
101.00886	4.1
109.02865	1.8
113.00893	1.1
116.98634	1.0
119.01914	28.5
127.02409	1.3
131.01889	8.0
133.03447	3.2
135.79088	1.0
137.02933	8.2
142.03421	1.1
143.00188	1.2
143.01886	21.4
144.01942	1.1
145.02405	1.3
145.03459	12.3
147.01346	3.0
147.04289	1.1
149.01244	1.4
149.02956	2.9
155.01871	14.6
156.03610	3.1
156.53842	1.6
157.03436	8.5
161.02950	36.6
163.04500	4.1
167.01901	6.7
168.99861	2.2
169.03444	4.9
171.01430	1.5
171.04988	3.5
173.02946	30.1
175.04526	3.6
177.02373	1.9
179.01889	2.3
181.03558	1.1
184.04590	2.6
185.02943	50.9
187.00850	6.2
187.04507	5.2
189.00819	1.4
189.02507	2.5
191.03947	5.9
196.04495	1.7
197.02951	16.1
199.00862	2.3
199.04506	1.6
201.00726	1.7
201.02370	2.0
203.03996	19.3
208.04616	1.5
209.03018	1.3
213.02499	1.8
215.00404	8.9
215.03941	13.9
217.01932	5.3
219.01703	2.3
219.03557	2.8
221.03081	1.3
221.05052	4.0
227.04024	10.2
228.05566	4.9
228.55974	4.6
229.02003	2.9
229.06122	1.4
231.03477	4.3
233.01505	1.2
237.02647	2.2
237.06197	2.6
239.03999	2.9
245.05057	100.0
246.05328	2.3
247.02971	9.8
247.08295	1.4
253.01811	1.2
257.05011	4.6
259.03067	3.0
263.06143	11.9
271.03073	2.9
275.02609	3.1
275.06104	11.5
286.07776	1.8
287.06305	1.3
289.04022	7.3
293.07092	4.8
299.02435	2.4
301.04077	1.8
303.05780	1.1
305.07190	10.8
307.05081	9.5
315.05295	1.6
316.71509	1.0
317.06912	1.0
319.05063	4.1
321.06567	1.2
331.05020	7.2
333.06564	1.4
335.08139	5.2
337.05923	1.3
343.04956	1.6
349.06152	13.1
359.04642	2.8
361.06287	1.9
365.09235	16.0
373.05942	1.2
377.05701	3.0
383.10187	1.9
391.07535	4.9
392.68436	1.0
409.08231	2.2
441.03143	1.0
469.10324	2.1
511.11377	11.6
539.10773	2.7
571.13245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94051	0.5
55.01863	1.2
56.96564	4.0
57.03417	2.0
61.02910	1.8
62.57441	0.5
69.03134	0.4
69.03432	5.5
69.56002	4.3
69.96375	0.5
71.04991	3.9
73.02916	3.9
77.00881	1.2
77.23850	0.5
81.03398	2.0
82.99442	0.6
82.99877	1.7
84.96029	0.6
85.02412	0.8
85.02896	12.1
86.03228	0.7
87.04455	0.7
91.03941	1.0
94.99821	1.0
95.01920	0.6
97.02894	6.2
98.21523	0.5
98.97576	3.9
99.04462	0.8
100.99771	0.5
101.00862	5.4
105.00365	0.8
109.02859	2.0
110.01276	0.5
110.97553	0.8
113.00826	1.1
115.02372	1.1
116.98622	4.0
117.01997	0.7
118.02805	0.7
119.01912	26.9
119.04929	0.9
120.72931	0.6
127.02383	1.2
127.03894	4.8
128.02235	0.5
128.98602	2.0
129.04050	0.5
129.05424	0.8
131.00156	1.5
131.01886	8.3
131.51878	0.6
133.03462	6.0
134.99641	2.7
135.04410	1.3
137.02950	5.9
139.03886	1.6
140.02332	1.0
142.03479	1.5
143.00175	1.0
143.01884	20.0
145.03438	12.4
145.04936	2.1
146.03522	0.6
146.99568	2.8
147.01355	1.4
147.03096	2.2
147.04388	2.4
149.01202	7.5
149.02963	3.3
150.01677	0.5
151.04483	1.5
152.99622	0.6
154.03484	0.7
155.01874	13.8
156.03609	7.4
156.53734	1.6
157.01605	0.5
157.03461	7.3
158.99672	2.6
159.04968	1.9
161.01439	1.2
161.02943	34.8
161.06613	1.0
162.03101	0.9
163.03957	5.1
164.04337	0.6
165.04071	0.6
167.01955	6.9
167.07010	0.5
167.54385	0.5
168.99867	2.5
169.03513	3.3
170.99754	1.1
171.01424	1.7
171.05084	3.1
173.01410	1.1
173.02943	31.8
175.03035	0.9
175.04532	5.3
177.00716	4.0
177.02339	1.1
179.01979	2.1
179.03891	0.6
181.03442	1.5
182.03400	1.4
183.01341	0.9
183.05077	0.9
183.62021	0.6
184.04597	2.3
185.02953	39.9
186.03119	0.8
187.00923	5.1
187.02507	0.7
187.02815	0.7
187.04477	6.6
189.00676	2.9
189.02425	4.1
189.03958	0.7
189.06046	1.3
191.02197	1.5
191.03979	5.9
191.54039	0.8
193.00198	0.7
195.01788	0.5
196.04550	1.8
196.99466	0.8
197.02942	16.3
199.00954	2.5
199.02600	0.7
199.04472	2.5
200.04425	1.0
200.07698	1.2
201.00641	1.9
201.02429	3.7
201.05780	2.0
201.07872	1.3
202.03870	0.9
203.02322	0.9
203.03987	19.3
205.02008	0.8
205.03781	0.7
206.08727	0.9
207.01709	0.9
207.03548	0.8
208.04561	1.6
209.03032	2.2
211.00974	0.6
211.04567	1.0
213.02435	1.8
215.00426	6.7
215.03995	12.0
215.07588	1.3
216.04158	0.7
217.01935	3.6
217.03734	0.8
217.05591	0.8
218.08667	0.8
219.01733	3.3
219.03412	3.1
219.08862	0.9
221.03003	1.8
221.05058	6.7
223.04776	0.6
226.05536	1.1
227.01993	1.0
227.04010	10.1
228.05696	21.1
228.55884	11.5
229.01984	2.0
229.05554	2.6
231.01546	0.7
231.03526	3.3
231.07211	0.7
233.01212	0.6
233.05136	1.2
234.73952	0.5
237.02776	2.9
237.06236	6.1
237.56429	2.6
238.05818	0.8
239.03983	1.8
239.06218	1.4
241.01923	1.2
243.01408	0.8
244.06656	0.5
245.05063	100.0
246.05275	2.3
246.08295	1.6
247.03018	6.0
247.05260	0.7
247.06471	0.7
247.08525	2.7
248.57077	1.2
249.02660	0.7
249.04843	0.6
249.07112	1.2
249.57335	0.7
253.02039	0.7
255.03835	1.1
257.05103	7.0
259.02963	2.3
259.06647	1.0
261.02573	2.5
263.06125	14.9
265.07022	0.7
271.02939	3.9
271.08350	0.6
272.06473	1.6
272.56540	0.9
273.08090	1.7
275.02548	3.2
275.06082	15.4
275.09204	0.8
277.04050	0.9
277.07697	0.8
278.46432	0.6
279.03867	1.8
281.07001	2.0
281.57239	0.7
283.03195	0.7
286.07709	1.7
287.05984	0.8
288.09351	0.6
289.04041	11.4
289.07098	0.7
289.09744	0.6
291.09213	0.6
292.12292	0.6
293.04828	0.8
293.07147	2.8
295.08713	1.2
297.04382	0.8
299.02414	2.1
301.03998	3.4
303.05444	1.9
303.08984	0.8
305.07141	11.4
305.10675	2.2
307.05112	10.6
307.08505	0.5
309.58600	0.7
311.06512	1.8
312.06445	0.6
315.05582	0.8
316.09006	0.8
317.03510	0.8
318.08862	6.6
318.59015	6.3
319.05054	4.3
319.09073	2.7
321.06702	0.9
323.06741	0.6
329.06891	0.8
330.06689	1.0
331.05255	6.6
331.09131	0.8
333.06555	1.4
333.10318	1.0
335.08298	5.2
337.05914	1.0
337.09622	1.4
341.04156	0.7
343.05099	0.7
347.08075	1.1
347.12021	0.9
348.52274	0.8
349.06116	13.6
349.10028	0.5
359.04691	2.8
361.06363	1.0
362.09576	1.5
362.59982	1.5
365.09280	19.3
366.09695	0.8
367.09183	0.8
370.03174	0.7
373.06058	1.7
377.05569	3.5
381.06943	0.8
383.10016	1.9
391.07117	8.8
391.11490	0.5
391.15100	1.0
399.11563	2.3
399.61731	6.2
400.12259	2.3
400.62552	0.6
409.08167	5.1
409.12991	0.9
409.15662	0.8
411.09879	0.8
425.11371	0.6
437.11499	0.7
451.08823	1.0
455.10745	1.0
468.33029	0.6
469.10449	3.0
481.10944	0.9
483.11853	1.3
511.11331	10.2
535.01929	0.6
539.10913	5.1
541.12146	0.9
553.12610	1.0
571.12561	5.3
571.20569	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	571.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23981	0.3
52.08875	0.3
53.03931	0.3
55.05494	0.4
57.03416	0.4
59.48859	0.2
59.60663	0.3
67.05467	0.3
69.03414	0.7
70.06583	0.4
70.76540	0.3
73.62909	0.3
77.03895	0.4
78.04699	1.5
79.05482	1.6
81.07030	0.7
83.04979	0.5
83.66726	0.3
85.02881	1.1
85.06553	0.3
91.05464	1.6
93.07014	1.3
95.04955	1.4
95.08586	0.5
97.10153	0.3
99.08093	0.3
103.05443	0.7
105.06996	2.0
106.04147	0.7
107.04933	2.9
107.08581	0.6
109.02829	0.3
109.10107	0.4
115.05434	0.5
117.07001	0.4
119.04927	0.5
119.08550	0.5
121.02881	0.3
121.06468	1.0
121.10112	0.5
122.03606	0.3
123.04418	4.3
124.05183	1.8
125.05970	0.3
127.03855	0.5
128.06192	0.4
129.06953	0.8
131.04903	0.5
131.08533	0.8
132.05717	0.3
133.06468	0.7
135.04376	0.4
135.08041	0.4
137.05949	2.0
139.03793	0.4
145.06442	0.4
149.05959	1.4
151.03848	1.1
151.07501	1.0
151.11130	0.3
152.04674	1.6
153.01741	0.3
153.05406	0.5
157.06448	0.9
159.08044	0.3
161.05951	3.6
161.09654	1.1
162.65994	0.3
163.03828	0.3
163.07487	1.2
165.09090	0.5
166.06229	0.3
167.07007	100.0
168.07391	0.9
173.05978	0.5
173.23291	0.3
174.06721	0.7
175.07585	0.3
177.09103	0.3
179.07034	0.8
181.08522	2.8
182.07088	0.3
189.09050	2.5
191.07042	1.4
191.10666	0.5
192.07417	0.7
193.08578	4.0
197.09523	0.3
207.10042	1.6
208.09755	1.3
209.09885	0.8
211.09592	2.9
219.07875	0.3
225.08972	0.3
242.09280	0.4
247.11455	0.4
253.08382	0.5
255.10223	0.4
259.20535	0.8
283.13358	0.5
285.11090	0.3
303.11984	0.3
311.12790	0.3
315.12198	0.7
317.13654	1.0
343.15454	0.9
361.16354	5.7
371.14954	0.4
379.04550	0.4
407.04031	0.4
409.05487	0.8
535.15515	0.3
553.15387	0.4
571.08392	0.5
571.26874	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01863	18.2
55.02098	2.7
55.05501	33.1
57.03415	3.2
57.07056	4.4
67.05497	56.5
69.07059	39.9
71.04987	5.4
71.61401	4.1
71.61816	2.9
79.05492	35.8
81.07052	57.9
83.04961	7.4
83.08598	21.1
85.06534	3.3
91.05480	32.0
93.07037	39.9
95.04961	8.7
95.08594	56.5
95.09155	4.8
97.06524	20.2
97.10150	11.1
103.05453	2.5
105.07015	41.1
107.08584	33.0
109.06510	4.4
109.10143	21.1
111.08051	4.3
117.07009	23.4
119.08572	41.0
121.10130	20.5
123.08078	3.2
123.11694	7.4
125.09634	10.8
129.06998	12.7
131.08559	40.0
133.10117	35.4
135.08066	3.7
135.11667	13.2
137.09621	2.6
141.06973	4.1
142.07767	4.1
143.08530	18.1
145.10100	37.0
147.07973	3.3
147.11674	22.6
149.09615	5.0
149.13287	7.4
155.08572	9.7
157.10123	16.5
159.11649	21.4
161.09627	3.1
161.13210	13.1
163.11247	3.4
165.08925	2.8
167.08607	2.3
169.10103	13.5
171.11659	21.3
173.13246	17.2
175.11214	2.3
175.14836	4.9
177.12895	2.4
181.10162	6.7
183.11697	10.2
185.13243	10.5
187.14796	8.7
189.11198	4.2
189.16371	3.9
193.10091	2.4
195.11711	4.9
197.13246	8.9
199.14790	10.1
207.11571	2.9
209.13316	5.8
211.14812	6.9
213.16464	5.8
221.15338	3.4
223.14896	5.2
225.16405	5.9
227.17984	3.4
235.14761	3.0
247.16824	2.9
257.18857	4.1
263.20135	2.8
269.22586	2.6
273.18442	3.7
275.20102	9.7
277.21701	13.3
279.23407	3.4
289.21658	7.1
291.23123	2.6
297.21945	4.2
299.23767	2.6
301.21414	3.5
303.23151	5.9
315.23111	2.7
317.24680	5.6
327.23401	3.1
329.24554	4.6
341.24573	3.9
355.26157	4.8
357.27573	3.2
367.26215	2.5
369.27722	3.2
385.30850	9.8
399.32306	4.2
405.31705	4.0
409.31171	2.9
423.32632	11.6
431.31812	3.5
439.35788	3.5
441.33557	7.8
447.34323	4.9
457.37045	5.8
459.34631	61.5
465.33450	3.5
473.36072	3.7
483.34860	5.1
513.39539	3.4
517.40454	9.1
535.41443	20.8
553.42426	100.0
554.42542	4.2
565.90906	6.3
571.36633	2.9
571.43579	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01862	5.8
55.03323	1.8
55.05262	2.6
55.05509	36.1
57.03423	2.2
57.07067	15.4
59.04978	2.1
67.05490	47.1
69.03427	2.3
69.07063	22.9
71.04950	4.0
71.08613	2.0
73.06494	2.0
79.05077	1.8
79.05479	43.4
79.98331	2.1
81.03394	5.9
81.06574	3.1
81.07049	59.4
83.04966	6.8
83.08605	18.6
85.06535	4.3
85.10176	30.7
91.05473	49.1
93.07031	49.4
95.04961	23.3
95.08591	44.0
97.06523	7.5
97.10159	6.5
98.20972	11.9
101.06052	2.4
104.49945	2.3
105.07021	46.7
107.04939	12.9
107.08576	32.5
109.06503	5.5
109.10156	15.5
111.08067	5.0
113.09619	34.2
117.06988	15.3
119.08576	37.1
121.06528	3.0
121.10123	24.9
123.08060	6.0
123.11684	6.5
125.09608	6.7
129.07013	8.9
130.87251	2.0
131.08562	24.4
133.10106	34.9
134.10890	4.4
135.08066	3.4
135.11699	14.7
137.09615	2.7
137.13191	1.9
139.11198	2.4
141.06963	2.8
143.08560	7.4
145.10097	28.1
147.11671	29.3
149.09604	21.6
149.13225	6.4
151.11151	3.8
153.12572	1.9
155.08548	4.9
157.10091	9.8
159.11650	15.5
161.13248	13.1
163.11151	21.3
163.14854	4.2
165.12718	45.2
169.10100	3.6
171.11668	13.8
173.09615	3.2
173.13240	8.5
175.11182	5.3
175.14809	5.6
177.12820	3.0
177.16379	4.0
179.14340	3.0
183.11694	4.8
185.13281	6.6
187.11290	2.7
187.14841	4.3
189.11252	3.1
189.12762	3.0
189.16324	2.8
193.12192	2.3
195.11667	2.6
195.13777	2.1
197.13167	5.1
199.14862	2.7
201.16354	2.3
203.14336	2.4
203.17865	2.0
209.13312	2.2
211.14752	2.7
213.16425	4.0
217.19452	2.6
221.15390	5.1
223.13182	8.9
229.19571	3.7
231.20976	2.8
233.15430	2.1
239.17940	8.5
241.19499	7.0
247.17029	2.6
257.18988	9.0
259.20505	12.3
261.22162	3.2
275.20029	100.0
276.20776	8.7
276.90991	2.8
277.21591	66.2
279.23178	7.9
293.21051	16.7
295.22653	55.2
301.21634	3.4
303.23041	4.7
345.27866	3.1
371.29721	2.2
423.32474	6.1
425.34082	5.0
441.33612	7.3
443.35260	3.9
445.32950	6.5
483.34906	2.1
517.40393	5.2
535.41602	10.8
542.09314	2.5
553.42395	26.3
565.91028	7.4
566.91077	3.7
571.43378	30.9
578.86688	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	573.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83734	1.6
56.96556	6.4
61.41554	1.6
63.39116	1.9
69.03441	1.8
71.62386	3.5
85.02888	4.6
97.02898	2.6
98.97565	17.0
101.00893	3.5
115.02435	2.0
116.98618	16.2
117.03362	2.2
119.01907	28.2
119.04966	3.1
123.04411	3.5
127.03915	4.6
131.01892	8.3
131.05573	4.9
133.03485	5.6
134.99663	9.0
135.04417	4.2
135.65746	1.6
137.02945	4.6
139.03889	3.1
143.01886	47.8
145.03496	2.7
146.99667	3.9
147.01375	3.5
147.04414	7.2
149.06639	10.0
153.00719	2.1
155.01895	16.1
155.05507	2.0
157.03491	2.4
158.99599	8.6
161.02950	83.0
163.03864	15.9
173.02963	20.3
173.06577	20.9
175.04457	2.8
177.00716	15.0
177.06065	5.1
184.04553	5.8
185.03024	3.0
185.06607	22.5
187.08235	4.6
189.00732	2.7
189.04237	2.4
191.07657	8.5
195.01918	2.1
201.00693	3.8
203.04007	4.1
203.07608	16.6
210.35287	2.1
215.07568	10.3
219.01799	7.4
221.02879	7.8
221.05083	19.0
227.07637	3.3
233.08737	4.6
234.99016	4.1
236.05510	2.9
237.00696	3.0
237.02792	12.4
239.03976	2.4
245.02930	3.2
257.08765	4.5
259.04416	2.1
261.02640	3.2
263.03952	8.9
273.02859	3.1
275.09836	22.5
289.06787	2.5
293.10873	45.5
295.10419	2.4
305.05411	2.5
307.04507	2.3
309.08319	8.9
311.09760	3.4
316.12518	2.2
323.05975	4.1
339.09198	1.9
351.11218	4.1
365.07343	3.3
375.11340	30.8
381.10852	2.4
388.10339	4.5
437.12888	23.5
455.13904	100.0
456.13715	2.4
513.14252	2.9
537.14581	18.5
555.15656	3.2
573.16669	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	573.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01865	16.2
55.05250	2.4
55.05503	31.7
57.03428	8.9
57.07063	3.5
61.33621	1.5
65.03922	4.1
67.05495	80.4
69.03429	3.2
69.07054	27.3
70.22331	2.4
70.22746	5.0
71.04974	5.8
75.10230	1.3
77.03921	2.5
79.05484	100.0
80.38313	1.3
81.03417	10.2
81.07046	96.9
83.04974	18.7
83.08608	16.9
85.06525	4.1
91.05469	89.7
93.07031	89.7
95.04957	33.7
95.08595	48.0
97.06522	22.5
97.10170	8.5
103.05447	2.4
105.04539	1.7
105.07019	75.3
107.04940	18.2
107.08581	39.8
108.62119	1.2
109.06501	15.6
109.10140	19.1
111.08078	6.4
115.05436	3.0
117.07001	17.8
119.08569	49.0
121.06467	10.6
121.10123	21.6
123.08050	10.1
123.11675	5.6
125.09615	7.1
128.06204	4.0
129.06999	20.0
130.07697	2.2
131.08556	20.6
133.06503	2.8
133.10109	31.0
135.08073	4.8
135.11662	10.9
137.09598	5.9
137.66228	1.7
140.63869	1.6
141.07028	2.4
141.09155	1.6
142.07797	1.8
143.08531	12.4
145.06436	2.6
145.10097	27.7
147.08028	3.8
147.11668	45.5
149.09593	20.1
151.11147	4.5
153.09047	1.9
155.08546	3.8
156.09303	2.1
157.10146	7.4
159.11662	14.2
161.09647	7.3
161.13231	14.5
163.11151	11.7
165.09081	1.9
165.12755	3.3
169.10133	6.2
171.10239	2.6
171.11653	25.2
173.13234	7.4
175.11194	4.0
177.12769	3.9
179.14313	3.4
183.11629	2.7
185.13177	2.4
187.14769	3.1
189.11151	3.7
189.12737	10.1
191.14244	2.4
195.11658	1.6
196.07410	1.9
197.13206	3.9
199.14897	1.6
201.16461	1.5
207.13747	18.0
225.14828	3.2
227.12717	10.8
233.15295	2.3
239.17923	4.2
247.20499	3.6
257.18958	13.5
265.43961	1.5
267.15805	2.7
273.18466	2.0
273.38556	1.6
275.20029	84.1
279.15851	1.7
281.17429	51.8
291.19571	3.3
293.21109	7.0
296.55588	1.4
297.22214	1.4
331.22678	3.0
335.25711	8.0
349.23709	34.6
377.23141	2.1
451.26944	2.1
459.30722	3.8
463.31714	2.1
475.30396	7.9
481.33371	1.8
537.35400	2.5
555.36780	51.6
573.37915	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	573.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01855	7.5
55.05509	28.8
57.03431	6.6
57.07078	3.4
57.52988	1.5
59.04990	2.7
65.03933	5.9
67.05496	73.8
69.03403	3.2
69.07057	23.8
70.30038	7.4
71.04993	4.8
79.05483	65.3
81.03405	12.2
81.07047	100.0
83.04969	16.7
83.08606	18.0
85.06542	5.2
91.04897	1.8
91.05026	1.2
91.05470	63.0
93.07030	63.2
93.07614	3.4
95.04948	24.9
95.05453	2.2
95.08597	46.1
97.06519	12.2
97.10154	7.1
99.08110	2.2
103.05452	1.8
105.04527	2.9
105.07016	59.8
107.04944	12.3
107.08574	28.1
109.06496	22.6
109.10148	19.3
111.08097	3.3
115.05408	3.0
117.07018	19.1
119.08567	42.2
121.06522	7.6
121.10125	19.2
123.08073	5.6
123.11705	7.4
125.09658	3.4
128.06230	3.3
129.06984	19.1
129.07880	1.7
130.07758	1.6
131.08559	17.4
133.06471	2.5
133.10123	24.5
135.08069	4.6
135.11690	8.3
137.09615	5.8
141.07040	4.2
143.08569	12.7
145.10097	18.6
147.04462	1.5
147.08060	3.6
147.11670	36.6
149.09605	4.5
149.13275	6.1
151.11188	1.9
155.08551	3.5
156.09372	2.3
157.10146	6.9
159.08052	2.8
159.11664	9.5
160.08911	1.7
161.09663	4.8
161.13232	11.1
163.11218	7.3
163.14793	3.9
165.12790	5.9
168.09348	2.1
169.10152	5.2
171.11688	21.2
173.09683	2.2
173.11830	2.6
173.13266	5.8
175.11169	4.1
179.14362	2.4
181.10292	2.0
183.11745	4.7
185.13298	4.9
187.14827	2.6
189.12683	11.1
193.12286	2.7
195.11697	1.8
197.13272	3.2
207.13765	17.2
213.12831	1.6
221.13339	1.7
225.14893	4.0
227.12869	4.2
229.14355	3.3
229.19495	2.6
233.15431	2.2
241.19675	1.7
247.20648	6.8
257.19138	5.6
259.20648	1.8
267.15973	3.5
275.20029	64.3
281.17447	30.0
281.20209	2.6
293.21066	8.0
297.22165	1.8
313.21799	1.8
327.23267	5.9
329.24768	1.8
349.23645	24.2
445.30975	3.4
463.32343	3.8
475.30801	1.8
481.33316	6.3
499.34341	2.1
527.38043	2.0
537.35596	4.9
546.98016	1.7
555.36664	64.0
573.37915	54.8
573.47852	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	573.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01855	7.5
55.05509	28.8
57.03431	6.6
57.07078	3.4
57.52988	1.5
59.04990	2.7
65.03933	5.9
67.05496	73.8
69.03403	3.2
69.07057	23.8
70.30038	7.4
71.04993	4.8
79.05483	65.3
81.03405	12.2
81.07047	100.0
83.04969	16.7
83.08606	18.0
85.06542	5.2
91.04897	1.8
91.05026	1.2
91.05470	63.0
93.07030	63.2
93.07614	3.4
95.04948	24.9
95.05453	2.2
95.08597	46.1
97.06519	12.2
97.10154	7.1
99.08110	2.2
103.05452	1.8
105.04527	2.9
105.07016	59.8
107.04944	12.3
107.08574	28.1
109.06496	22.6
109.10148	19.3
111.08097	3.3
115.05408	3.0
117.07018	19.1
119.08567	42.2
121.06522	7.6
121.10125	19.2
123.08073	5.6
123.11705	7.4
125.09658	3.4
128.06230	3.3
129.06984	19.1
129.07880	1.7
130.07758	1.6
131.08559	17.4
133.06471	2.5
133.10123	24.5
135.08069	4.6
135.11690	8.3
137.09615	5.8
141.07040	4.2
143.08569	12.7
145.10097	18.6
147.04462	1.5
147.08060	3.6
147.11670	36.6
149.09605	4.5
149.13275	6.1
151.11188	1.9
155.08551	3.5
156.09372	2.3
157.10146	6.9
159.08052	2.8
159.11664	9.5
160.08911	1.7
161.09663	4.8
161.13232	11.1
163.11218	7.3
163.14793	3.9
165.12790	5.9
168.09348	2.1
169.10152	5.2
171.11688	21.2
173.09683	2.2
173.11830	2.6
173.13266	5.8
175.11169	4.1
179.14362	2.4
181.10292	2.0
183.11745	4.7
185.13298	4.9
187.14827	2.6
189.12683	11.1
193.12286	2.7
195.11697	1.8
197.13272	3.2
207.13765	17.2
213.12831	1.6
221.13339	1.7
225.14893	4.0
227.12869	4.2
229.14355	3.3
229.19495	2.6
233.15431	2.2
241.19675	1.7
247.20648	6.8
257.19138	5.6
259.20648	1.8
267.15973	3.5
275.20029	64.3
281.17447	30.0
281.20209	2.6
293.21066	8.0
297.22165	1.8
313.21799	1.8
327.23267	5.9
329.24768	1.8
349.23645	24.2
445.30975	3.4
463.32343	3.8
475.30801	1.8
481.33316	6.3
499.34341	2.1
527.38043	2.0
537.35596	4.9
546.98016	1.7
555.36664	64.0
573.37915	54.8
573.47852	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	573.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14833	1.0
53.00267	1.2
53.03936	5.7
55.01868	40.9
55.05503	19.1
57.03421	5.0
57.07069	3.4
57.38237	1.3
65.03934	3.8
67.05498	53.6
69.03431	1.8
69.07059	28.9
69.37617	3.9
69.38043	6.9
71.04991	2.6
71.08620	4.6
77.68073	1.2
79.05485	55.7
81.03415	8.8
81.07050	52.5
81.07558	1.0
83.04987	9.3
83.08608	8.3
83.09064	1.6
85.02879	1.1
85.06528	1.7
85.10159	2.4
91.04874	1.7
91.05470	59.9
93.07037	47.6
95.01324	4.8
95.04961	19.1
95.08596	34.5
97.06525	66.4
97.10172	4.9
99.08085	1.1
103.05459	1.9
105.07019	65.4
107.04945	20.9
107.08576	19.6
109.06508	5.8
109.10153	10.9
111.08080	2.6
117.06995	15.0
119.08566	32.3
121.06508	4.7
121.10121	9.2
123.04437	1.6
123.08062	5.4
123.11716	2.3
125.09665	2.4
127.07568	1.6
128.06216	3.1
129.06990	9.3
131.08557	14.0
133.10115	27.9
134.96515	1.1
135.08006	2.9
135.11661	7.3
137.09612	4.1
139.07561	3.0
141.06999	3.3
143.08543	5.9
145.06483	2.3
145.10107	18.1
147.08060	2.4
147.11670	30.4
149.09604	13.0
149.13255	4.1
151.11237	2.6
155.08589	1.4
157.10127	3.3
159.11678	8.7
161.09561	2.7
161.13239	7.8
163.11160	8.1
165.09088	3.5
169.10138	2.7
171.11653	14.7
173.13242	4.0
177.12753	3.5
179.14291	13.4
183.11702	1.5
187.11241	3.1
187.14705	1.4
189.12657	6.2
197.13240	2.0
205.12216	1.2
207.13791	12.8
229.19620	1.8
239.17949	2.4
239.23756	2.2
247.20587	3.9
257.18982	7.1
263.16379	1.7
275.20047	100.0
279.15826	2.6
281.17453	50.4
293.21063	11.6
304.48981	1.1
313.27362	8.2
349.23703	26.2
537.35803	1.9
555.36768	70.2
573.37494	4.0
573.48529	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	574.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01870	3.0
55.05508	8.3
57.03431	4.4
57.07069	42.8
65.03943	1.6
67.05497	17.7
67.11320	1.4
68.18831	1.2
69.03406	1.4
69.07054	11.4
71.04993	1.7
71.08622	32.7
75.04469	2.9
79.05468	9.5
80.05802	1.7
81.03407	2.6
81.07044	25.3
83.04965	2.1
83.08616	11.9
85.02880	2.0
85.10181	18.2
91.05470	5.5
93.07033	7.9
95.08597	34.1
96.08927	2.4
97.06535	1.9
97.10184	7.4
99.04410	1.9
99.11749	1.8
105.07011	5.7
107.08575	5.0
109.02887	1.9
109.10135	15.4
111.11770	1.4
119.08552	3.9
121.10149	3.0
123.11687	4.8
133.10114	2.4
137.13202	2.1
145.10130	2.8
147.11681	2.6
148.12099	1.5
149.13193	1.5
163.11217	1.9
174.69659	1.9
191.00137	1.8
239.23653	25.3
257.24695	4.0
260.82062	1.6
275.20047	2.9
281.17572	2.2
302.27982	1.6
313.27328	100.0
314.27917	1.9
331.28397	20.5
452.18164	1.7
539.28931	6.1
574.22485	4.9
574.40692	5.1
574.49109	6.1
575.35431	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	575.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99090	1.7
53.03929	6.3
55.01870	14.1
55.05501	18.8
57.03426	7.6
57.67305	2.0
61.02942	1.9
65.03944	3.2
67.05500	35.2
69.03416	14.6
69.07064	24.7
71.04975	5.6
71.93979	1.6
73.02921	12.2
75.13532	1.5
79.05489	32.9
79.55939	1.6
81.03405	18.4
81.07048	44.7
82.28912	1.8
83.04986	12.5
83.08609	8.8
85.02895	11.9
91.05468	40.6
93.07038	31.5
95.01321	2.7
95.04957	13.9
95.08597	27.4
97.02867	3.4
97.06522	23.2
97.10156	6.6
98.20609	2.9
99.04435	5.2
99.08065	2.6
105.07021	53.9
107.04921	12.0
107.08593	18.7
109.02857	14.9
109.06512	6.9
109.10127	8.7
111.04427	13.9
111.08073	4.4
116.98635	1.8
117.07009	17.6
119.04960	2.3
119.07781	2.3
119.08580	29.7
121.06514	4.0
121.10134	11.8
123.04379	2.5
123.08064	7.3
123.11658	2.4
125.09624	6.0
127.03899	6.9
128.06187	2.6
129.06981	6.6
131.08572	16.6
132.99536	5.0
133.06499	2.5
133.10114	35.4
133.11072	2.9
135.08022	5.0
135.11699	7.6
137.09644	2.9
143.08543	5.0
145.06473	5.3
145.10118	20.8
147.08020	4.6
147.11674	17.2
149.09624	9.6
149.13255	2.6
155.08539	3.0
157.10114	7.6
159.08081	2.6
159.11690	13.8
161.13205	3.7
163.11147	8.8
165.09055	1.9
169.10133	2.9
171.11685	4.7
173.09590	2.8
173.13184	3.6
175.11168	5.4
177.12781	3.8
179.14297	12.1
183.11665	4.0
185.13252	4.0
187.11224	3.6
189.11215	2.7
191.00137	4.6
191.10690	2.6
193.12343	2.8
197.13235	2.6
209.11697	1.9
211.13205	3.7
219.17525	3.3
227.12787	4.1
239.17714	2.0
241.14252	3.7
247.20474	2.5
257.18909	8.3
267.15848	3.1
273.18506	7.9
275.20044	100.0
283.15216	3.1
285.17068	3.9
291.19550	6.5
293.21176	10.4
347.22339	2.2
349.23685	33.7
465.29752	2.5
501.31491	2.2
539.33441	2.1
557.34698	12.9
575.24652	17.6
575.35376	22.6
593.32501	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	575.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.4
53.03933	2.2
55.01814	5.8
55.05458	6.6
57.03378	3.9
57.07021	1.1
61.02863	1.4
65.03874	1.2
67.05498	11.2
67.05827	0.7
69.03423	11.6
69.03774	0.5
69.07059	7.3
71.01315	0.6
71.04982	2.2
71.54115	0.4
71.63221	0.4
73.02908	9.4
77.03878	0.4
79.05479	10.4
81.03407	8.1
81.07049	15.3
82.07324	0.5
83.01301	0.4
83.04969	7.4
83.08606	2.8
85.02895	8.3
85.06490	1.0
87.82807	0.3
89.35017	0.3
90.29839	0.3
91.05470	12.3
91.06005	0.4
93.03346	0.8
93.07034	14.0
94.07277	0.4
95.04960	4.5
95.08597	9.5
97.02885	3.6
97.06519	2.5
97.10079	1.6
99.04453	5.3
99.07999	0.6
103.05451	0.5
105.04470	0.4
105.07017	15.1
105.70562	0.4
107.04948	5.2
107.08575	8.8
109.02863	11.6
109.05801	0.3
109.06498	5.5
109.10146	4.1
110.03656	2.3
111.04427	12.5
111.08012	1.3
116.06181	0.4
117.06994	5.3
119.08566	9.8
121.06498	7.4
121.10128	6.2
123.08054	3.8
123.11646	1.3
124.98978	0.6
125.09570	1.0
127.03902	6.9
128.06152	0.5
129.06947	1.9
130.07735	0.4
130.35234	0.4
131.07591	0.6
131.08543	12.0
132.99539	4.3
133.06494	2.1
133.10117	11.1
135.08026	3.4
135.11656	3.5
137.05873	0.5
137.09557	1.3
139.03827	0.7
141.06934	0.8
143.08516	2.3
145.06396	1.2
145.09047	0.6
145.10100	9.5
147.08038	2.5
147.11668	7.5
149.09592	5.2
149.13234	2.1
151.00513	1.1
151.11153	2.5
153.01796	0.4
155.08542	1.7
157.10097	2.2
159.08005	1.7
159.11673	5.8
161.09622	2.3
161.13232	2.5
163.09990	0.5
163.11154	4.2
165.12717	0.8
169.10098	1.7
171.11598	1.6
172.98973	1.2
173.09642	2.3
173.13252	3.3
175.11127	1.7
175.14795	0.8
177.12694	1.4
179.10440	0.4
179.14172	0.5
183.11671	1.9
185.13165	0.9
187.11104	1.5
187.14775	1.1
189.12729	1.0
191.00069	5.2
191.14290	2.6
193.12189	0.7
197.13223	1.1
199.14816	0.9
201.12698	1.6
205.15785	0.5
205.19461	0.5
207.13831	1.9
209.01088	1.4
213.16269	0.6
215.14265	1.1
215.17883	1.4
217.15793	0.5
219.13763	1.8
221.15404	0.4
229.19479	1.3
231.17445	0.8
233.15250	0.4
233.18954	0.8
234.57664	0.4
237.14490	0.4
239.17931	2.3
247.20433	1.9
257.18945	10.9
262.09698	0.5
265.03760	1.5
273.18478	0.7
275.20029	100.0
276.20343	1.3
283.15204	0.5
291.19479	0.9
293.21085	25.5
331.22552	0.6
349.23703	38.1
350.23856	0.4
367.24771	0.7
377.23291	0.8
391.24841	3.6
433.25916	1.0
439.24582	0.5
457.26028	1.2
459.27301	2.6
483.30887	0.6
495.29675	0.5
521.22833	0.4
539.23108	3.2
539.33203	0.5
553.79120	0.5
557.24390	1.3
557.34930	1.4
575.25189	17.8
575.35083	2.7
576.25494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
53.39831	2.1
55.01863	26.0
55.05505	46.0
57.03428	24.3
57.07064	3.5
59.04988	2.1
65.03930	5.8
67.01867	2.0
67.05495	75.9
69.03418	11.1
69.07061	30.9
69.88701	13.7
71.04986	8.2
79.05487	69.9
81.03412	70.4
81.03903	3.1
81.07050	100.0
83.04964	22.4
83.08608	33.9
85.02881	11.7
85.06540	8.3
91.05471	60.0
93.07038	51.9
95.04956	41.8
95.08598	36.9
97.02891	4.7
97.06507	21.0
97.10162	27.5
99.04463	4.5
99.08073	8.5
105.07022	43.8
106.98073	2.0
107.04944	21.3
107.08578	36.6
109.02902	2.9
109.06508	29.4
109.10149	29.4
111.04433	14.5
111.08067	12.7
113.05997	6.3
115.05467	3.1
116.06213	2.2
117.07013	20.5
119.04943	3.9
119.08577	41.4
121.06482	17.9
121.07103	1.7
121.10130	22.3
123.08057	25.7
123.11667	5.0
125.09612	22.0
128.06252	5.1
129.05530	2.4
129.06996	27.8
131.08563	35.4
133.06516	11.2
133.10117	20.5
135.08047	19.3
135.11707	11.2
137.09621	6.2
141.06989	6.3
142.07797	2.6
143.08540	16.3
145.06476	12.6
145.10104	26.2
147.04419	3.3
147.08023	19.5
147.11667	18.2
149.06058	2.2
149.09608	16.5
149.13289	3.0
151.11238	2.2
153.01816	12.3
153.09157	3.0
153.12762	3.7
155.08543	6.6
157.06441	4.1
157.10106	20.1
159.08090	9.0
159.11685	12.7
161.05942	3.5
161.09644	9.7
163.07695	2.8
163.11159	22.6
165.09117	4.9
165.12766	4.7
167.08620	4.6
169.10164	7.5
171.08069	3.6
171.10280	2.6
171.11671	11.1
173.09656	7.1
173.11815	3.5
173.13191	5.1
175.07507	2.6
175.11163	15.8
175.14871	2.4
177.12741	4.5
181.06709	2.2
181.10217	3.8
181.12244	9.2
183.08093	2.4
183.11703	8.2
185.09799	4.5
185.13290	5.6
187.11171	6.5
187.14719	3.0
189.11234	19.3
189.12715	4.1
191.10683	6.8
193.12218	23.0
195.11732	4.8
197.09933	2.9
197.13281	5.6
199.11212	5.2
199.14862	4.3
201.12756	3.3
203.10683	2.5
203.14294	2.2
205.12292	3.6
207.11717	3.3
209.11693	3.1
211.11385	3.8
211.13315	9.1
213.12688	2.9
213.16348	2.5
217.15822	2.8
219.13794	25.0
221.15369	2.8
223.11304	2.3
223.13235	5.3
227.12651	20.1
227.17892	2.2
229.14342	3.6
233.15334	3.4
245.19125	4.1
249.14854	2.7
255.17485	3.4
257.18954	2.5
267.15924	29.4
271.17154	2.5
273.18484	30.8
275.20093	11.1
283.15479	7.3
285.17102	5.6
291.19501	54.4
295.20526	2.3
297.18433	3.4
309.21014	3.2
311.20148	4.1
313.21579	7.1
329.21118	6.5
331.22888	5.0
339.04736	2.5
341.21094	7.6
347.22260	9.2
355.04785	2.8
359.22754	2.6
365.23288	15.1
367.22684	4.0
369.24258	2.9
379.22586	2.6
385.23788	3.9
403.24896	5.8
411.10751	3.9
429.27060	2.6
433.25983	10.4
447.28549	14.6
459.27036	3.1
461.28680	2.5
465.30090	21.1
477.28162	2.9
483.31171	21.5
501.32263	8.3
507.16385	2.9
521.32214	3.9
529.35297	4.2
539.33521	26.0
557.34668	98.7
575.22614	15.2
575.35742	90.7
583.49182	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	575.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.7
55.01868	20.6
55.05503	37.3
57.03225	1.6
57.03434	18.1
57.44354	1.5
59.04982	2.7
61.56701	1.8
63.31832	1.7
65.03936	4.5
66.17954	1.8
67.05493	66.8
69.03420	7.1
69.07062	23.4
71.04976	6.9
71.08605	4.0
71.08968	2.8
79.05484	60.5
80.29062	2.0
81.02915	2.4
81.03407	80.5
81.07047	100.0
83.04967	23.5
83.08608	33.1
85.02892	18.6
85.06537	5.3
91.05467	59.2
93.07030	42.0
93.74382	1.6
95.04958	44.3
95.08590	25.8
96.94771	1.8
97.02901	4.6
97.06522	16.7
97.10156	26.8
99.04447	3.3
99.08074	4.1
102.04395	2.0
103.05498	2.1
105.07016	48.9
107.04940	18.3
107.08582	32.4
109.06499	19.7
109.10146	21.3
111.04420	17.2
111.08069	19.1
113.06009	6.0
115.05456	3.0
117.07013	19.6
119.04923	3.0
119.08570	48.7
121.06486	16.3
121.10134	19.4
123.08060	23.3
123.11697	3.6
125.06021	2.7
125.09618	19.3
128.06227	4.4
129.06975	19.0
131.08551	30.6
131.44571	2.0
133.06487	9.4
133.10112	18.9
135.08025	11.0
135.11684	9.7
137.05940	3.5
137.09589	9.2
139.03871	2.0
142.07816	4.2
143.08562	10.0
145.06493	7.1
145.10094	22.7
147.04370	2.1
147.08025	23.1
147.11649	20.3
149.09618	14.2
149.13226	3.0
151.07565	1.8
151.11188	3.0
153.01793	3.3
153.09119	3.6
153.12764	7.1
155.08453	4.2
157.06468	2.7
157.10095	18.7
159.08070	8.1
159.11650	9.8
161.09584	15.8
161.13278	2.7
163.11188	19.2
165.09088	5.0
165.12781	4.9
167.08562	2.5
169.10161	3.8
171.07996	3.8
171.10287	3.1
171.11700	6.3
173.09653	4.7
173.13304	2.4
175.11183	16.4
177.09175	2.0
177.12794	4.9
179.08554	1.6
181.10165	1.7
181.12241	7.9
183.11690	3.5
185.09572	2.8
185.13251	3.8
187.11153	5.0
189.11201	18.3
189.12689	2.8
191.10683	6.0
191.14281	2.0
193.12222	37.9
195.11755	2.7
199.11166	2.6
199.14873	3.4
201.12756	2.3
203.10831	2.5
211.13225	31.2
211.14934	3.0
213.12805	2.4
213.16287	2.2
217.12079	2.3
217.15887	2.6
219.13777	3.6
223.11302	1.9
223.13300	4.4
225.12677	2.3
227.12697	19.7
227.17882	2.8
245.19121	2.3
249.14832	5.7
255.17412	3.7
257.15115	2.6
267.15866	35.0
273.18460	53.7
275.19986	3.1
277.18253	2.1
277.43185	1.8
283.15384	4.3
285.16916	19.8
291.19498	65.2
297.18478	2.6
309.20593	3.7
311.19861	2.2
313.21609	3.5
315.19559	4.5
329.21066	6.0
331.22751	3.1
339.23007	2.1
347.22226	16.2
365.23203	19.2
367.22937	2.5
385.23761	2.4
447.28555	7.7
459.27194	2.7
465.30017	9.0
477.28653	2.7
483.31085	10.9
501.32126	5.4
539.33661	16.7
557.21667	2.4
557.34686	65.5
575.22876	4.9
575.35742	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	575.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42895	2.1
53.03931	8.0
55.01860	13.7
55.05503	46.8
57.03429	16.8
59.04971	3.2
64.94386	2.6
65.03927	5.6
67.05497	100.0
69.03411	7.2
69.07060	26.6
69.58965	15.5
71.04985	18.1
72.80614	2.5
79.05047	4.3
79.05482	68.2
81.03407	24.8
81.07047	86.1
83.04978	16.7
83.08617	31.2
85.02890	7.5
85.06520	9.8
87.04489	2.8
91.05466	80.5
93.07030	67.8
95.04958	27.5
95.08593	65.0
95.09048	1.3
95.74301	2.1
96.66841	2.3
96.67577	2.4
97.02860	3.3
97.06503	12.0
97.10170	20.7
98.21034	9.3
99.08078	7.8
103.05481	3.5
105.07021	70.0
107.04964	12.8
107.08585	42.2
109.06503	14.1
109.10140	33.5
111.08057	8.8
113.06000	2.7
115.05437	5.4
116.06222	2.5
117.07012	26.3
119.08566	46.4
121.06474	11.2
121.10111	30.4
123.04433	2.2
123.08064	10.6
123.11666	6.9
125.09608	20.0
128.06204	6.6
129.07007	21.5
131.08543	47.2
133.06465	9.7
133.10120	42.7
135.08041	14.8
135.11661	11.7
137.09601	5.4
139.07503	2.6
139.11157	3.3
141.06943	8.3
142.07747	4.8
143.08524	22.2
145.06442	5.2
145.10109	36.7
147.04465	2.7
147.08051	9.9
147.11688	23.5
149.09584	15.3
149.13234	3.8
151.11137	11.7
155.08560	17.5
156.09363	3.0
157.10081	29.2
159.08026	7.1
159.11664	23.5
161.09602	9.1
161.13237	10.9
163.11165	7.2
165.12770	4.3
167.08536	4.6
169.10071	12.6
171.11664	25.8
173.09601	5.1
173.13242	15.8
175.11096	11.4
175.14749	4.0
177.09067	3.4
177.12804	2.9
177.38055	2.7
179.14278	2.4
181.10110	8.6
183.11641	17.5
185.09666	4.7
185.13245	13.5
187.11247	3.7
187.14824	6.5
189.11197	11.4
189.12735	3.8
193.12190	15.2
193.72420	3.2
195.11678	7.6
197.13199	7.5
199.11319	2.4
199.14830	7.8
201.16293	2.9
203.14439	3.0
207.11722	3.4
209.13219	6.8
211.11568	2.5
211.13155	14.1
211.14989	3.6
217.15930	3.4
221.13309	3.3
223.13110	3.9
225.16440	3.1
227.12660	16.1
235.14842	3.0
251.12701	2.8
253.14343	7.8
259.20581	5.4
263.19843	3.7
267.15884	8.5
271.20593	2.7
273.18481	17.8
275.19998	8.2
281.19116	2.6
285.16599	2.5
285.22089	5.9
287.19879	3.6
291.19427	29.9
297.21988	2.6
299.20557	3.1
299.23706	9.0
308.41125	2.3
313.21375	2.4
339.23001	4.3
347.22150	9.3
353.24857	2.9
361.24146	2.7
365.23083	6.5
415.29767	4.9
421.25882	7.0
433.31027	16.2
451.31989	13.4
469.33124	6.5
499.33804	3.8
507.34488	8.6
517.35327	20.6
525.35706	62.3
543.36713	67.2
557.38940	26.4
575.38293	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	575.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.3
57.07071	73.1
62.56031	2.2
65.03923	2.3
67.05493	43.7
69.07058	69.1
70.62844	4.4
70.63248	5.5
71.04984	3.4
71.08621	67.9
72.21571	2.7
75.79559	2.1
77.88786	2.4
79.05476	6.4
81.07044	86.9
83.08131	3.7
83.08608	59.0
85.06531	2.5
85.10168	40.2
91.05463	3.7
91.50661	2.5
93.06989	4.0
95.08595	100.0
97.10159	57.8
99.11700	4.3
105.06960	2.4
109.09446	4.2
109.10149	55.5
111.11710	51.8
113.13263	4.1
119.41233	2.3
123.11681	28.2
125.13257	18.9
127.14794	3.9
137.13235	14.1
139.14789	8.0
151.14798	10.7
165.16418	12.1
179.17915	4.3
207.21054	3.1
221.22537	3.3
273.71121	2.4
291.30368	3.2
305.32251	2.8
313.27179	4.8
314.27621	6.9
349.10355	2.5
385.95245	2.2
386.61432	2.4
437.45123	2.5
482.39276	25.5
489.47781	2.8
540.43469	12.7
557.60156	24.1
575.42004	4.8
575.51416	3.8
575.61200	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	576.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.05495	1.3
57.03423	1.3
61.02916	0.9
62.06068	0.7
65.03919	0.5
67.05492	3.4
69.03426	4.7
69.07070	2.3
69.89056	0.5
70.06570	1.6
70.95712	0.7
70.96074	1.0
71.05000	1.4
71.07339	0.5
71.08615	2.9
72.08141	2.1
73.02906	0.9
81.03416	2.4
81.07044	4.0
83.04953	0.5
83.08570	0.7
84.08110	0.8
85.02892	6.1
86.06055	20.6
87.04450	1.4
91.05466	5.9
93.07016	4.7
94.06524	0.5
95.04966	1.2
95.08591	9.1
96.08110	4.5
97.02885	3.1
97.06529	0.6
98.06041	1.0
98.09686	6.9
99.04441	1.9
99.08078	4.3
100.07625	0.5
101.02367	0.5
105.07009	1.6
107.08571	1.5
108.08101	2.5
108.08755	0.5
109.02853	0.9
109.06506	0.9
109.10121	3.4
111.04435	0.5
113.08404	0.4
114.09143	0.9
115.56430	0.4
116.10716	47.5
117.11057	0.5
119.08575	8.8
121.10096	0.8
122.09639	1.4
123.04366	1.1
123.08023	0.7
124.07565	1.7
126.09089	0.7
127.03921	2.5
129.06978	0.5
131.08563	0.8
133.06419	0.6
133.10126	1.0
136.11205	0.6
137.09615	6.5
139.03879	1.5
140.10718	0.5
142.08621	4.6
142.12257	1.7
143.10641	4.6
145.04973	0.8
147.08006	2.6
163.03891	0.8
163.29126	0.5
165.09099	0.9
178.05849	0.4
180.64316	0.4
196.16960	0.9
209.11707	0.7
214.18001	7.1
220.16951	0.5
227.12726	0.8
236.20085	1.3
238.18008	1.9
245.13757	2.0
254.21072	7.6
256.19107	2.7
261.13327	1.2
262.17877	0.9
280.19037	8.6
284.31509	0.5
297.27176	0.5
298.20123	8.0
316.21146	100.0
317.21524	1.9
350.47607	0.5
396.27353	2.1
413.08981	0.6
414.28445	29.8
415.29202	0.8
460.25177	0.6
478.26453	15.7
558.32599	1.5
576.33600	6.3
577.12787	0.5
595.05634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05500	0.4
65.03936	1.0
67.01833	0.5
67.05476	0.5
68.99778	1.8
69.03422	0.5
75.69484	0.2
83.04957	0.6
85.02877	0.5
93.03370	0.7
95.04927	0.3
97.02876	0.8
97.06519	0.3
98.70399	0.2
107.04939	0.3
111.00819	0.3
111.04420	3.7
117.41602	0.2
121.02927	0.2
123.04409	0.8
127.03876	0.3
135.04396	0.6
137.02370	0.5
139.03877	100.0
140.04230	0.4
147.04404	0.4
149.02289	0.6
151.03856	0.3
153.01805	13.6
155.04933	0.4
157.06493	0.2
161.05965	0.2
163.03896	1.0
165.01851	0.7
166.02579	0.2
171.03040	0.2
171.04401	0.7
172.21791	0.2
173.05911	0.5
179.03352	1.9
181.01288	0.7
181.06364	0.3
183.02908	0.2
183.04375	0.5
185.06010	0.8
187.03893	0.6
189.05478	0.3
191.03375	0.6
193.01379	0.2
195.02887	0.8
197.06041	0.3
199.03839	1.7
200.04662	0.9
201.05438	1.5
203.03423	0.3
205.04990	0.6
207.02771	1.1
211.03957	0.5
213.05437	1.2
215.03372	1.4
217.04967	0.8
223.03877	0.6
225.05452	0.7
227.03290	1.6
227.06984	0.3
228.04184	0.7
229.04909	2.3
231.02838	1.0
235.02374	0.2
237.05507	0.5
239.03323	0.8
241.04953	1.5
243.06549	0.2
245.04361	1.6
249.05467	0.4
251.07103	0.4
253.04982	1.2
255.02791	4.8
255.06488	0.4
256.03604	0.3
257.04333	1.8
261.05435	0.3
263.07071	0.4
265.04913	0.6
267.02875	0.7
267.06210	0.3
269.04443	1.0
271.05905	0.3
279.06522	2.0
281.04492	0.4
287.05280	0.2
289.04843	0.7
291.06470	0.4
293.04373	0.8
295.02332	1.8
295.05786	0.4
297.04041	0.2
297.07520	0.3
306.05188	0.3
307.05847	1.7
309.07626	0.4
311.05179	0.3
313.03378	1.7
317.04504	0.2
319.05969	1.8
321.03867	0.5
323.05405	0.4
325.07007	0.6
333.07507	0.2
335.05435	4.7
336.06015	0.2
337.07108	1.0
339.04919	0.4
343.08240	0.2
347.05457	2.0
350.04370	0.4
351.04828	0.3
353.06570	2.6
355.04254	0.4
357.03809	0.3
359.05331	0.5
363.04907	6.0
364.05817	0.3
365.06393	1.8
368.04898	0.3
375.04745	1.6
377.06631	0.6
380.05280	0.2
381.05994	17.0
387.05084	0.5
391.04449	5.3
392.05106	0.4
393.05936	2.3
403.04401	1.0
405.05865	0.5
409.05472	51.0
410.05939	1.2
411.07098	0.4
415.10117	1.6
420.04581	0.7
421.05472	5.2
433.05545	0.9
439.06558	20.7
440.06750	0.3
451.06372	0.3
559.08514	1.5
563.71191	0.2
577.09467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
60.48997	0.2
62.02113	0.2
64.61214	0.2
65.03927	1.0
67.01854	0.4
67.05489	0.8
67.93962	0.2
68.99783	1.7
69.03418	0.8
70.88152	0.5
70.88497	0.4
71.04964	0.2
75.90763	0.2
81.07029	0.3
83.04980	0.7
85.02908	0.7
93.03394	0.7
95.04938	0.5
95.08636	0.2
97.02866	0.6
97.06532	0.4
99.04451	0.2
101.68938	0.2
103.68240	0.2
107.04929	0.4
107.08545	0.2
109.02808	0.3
111.00781	0.6
111.04431	4.4
115.05437	0.3
118.28080	0.2
121.06490	0.3
123.04421	3.5
127.03920	0.5
130.89220	0.2
135.04427	0.6
137.02304	0.4
139.03886	100.0
140.04265	0.5
147.04401	0.9
147.11752	0.2
151.03894	2.6
153.01813	12.9
153.05426	0.7
155.04929	0.5
160.05258	0.3
161.05994	0.4
163.03885	1.8
165.01855	0.9
165.05481	0.5
171.02942	0.4
171.04379	0.6
172.43834	0.2
173.05991	0.7
175.03877	0.4
176.57829	0.2
177.05540	0.2
179.03360	2.5
181.01302	0.5
181.04956	1.5
183.04375	0.4
185.05954	0.5
187.03862	0.6
189.05424	0.9
191.03447	0.6
195.02872	0.6
195.04417	0.3
197.06142	0.3
199.03894	1.8
200.04686	0.8
201.05423	1.8
203.03352	0.5
205.04967	0.7
207.02852	1.5
209.06007	0.3
211.03906	0.8
213.05470	1.0
215.03374	1.8
217.04868	1.2
219.02914	0.3
221.06032	0.3
223.04080	0.3
225.05388	0.7
227.03392	1.7
228.04207	0.6
229.04950	2.8
231.02925	1.1
237.05493	0.8
239.03336	0.8
241.04939	1.3
245.04445	5.1
247.02394	0.3
251.03485	0.3
251.07034	0.5
253.04903	1.0
255.02824	4.7
255.06511	0.2
256.03699	0.5
257.04434	2.2
261.05695	0.4
263.07037	0.4
265.05005	0.6
267.02832	0.5
267.06454	0.5
269.04413	0.9
270.05292	0.3
279.03665	0.3
279.06503	2.0
281.04434	0.7
281.08136	0.2
286.37039	0.2
287.05627	0.3
289.04895	0.4
290.05664	0.3
291.06616	0.8
293.04349	0.9
295.02338	1.5
295.05753	0.4
297.03937	0.4
297.07654	0.2
303.06760	0.3
306.05231	0.3
307.06015	2.4
308.06876	0.3
309.04080	0.4
309.07468	0.5
311.05463	0.4
313.03278	1.2
317.04471	0.4
319.06110	1.3
321.03955	0.4
322.04623	0.3
325.07037	0.6
335.05463	3.9
337.03461	0.3
337.07001	1.4
345.03857	0.4
347.05435	2.0
351.04898	0.3
353.06525	2.5
355.04446	0.3
357.03995	0.3
363.04953	6.5
364.06006	0.3
365.06503	2.1
375.05020	1.4
377.06381	0.4
378.03784	0.3
381.06027	15.4
382.06546	0.4
387.04779	0.3
391.04462	6.2
392.05341	0.4
393.05942	1.8
393.38052	0.2
397.09189	0.7
403.04340	1.0
405.06134	0.4
409.05496	52.2
410.06091	1.1
411.06888	0.4
415.05063	0.3
415.10056	1.7
420.04639	0.6
421.05508	5.2
425.08517	1.4
433.05411	0.9
439.06570	18.4
451.06616	0.5
559.08661	1.5
577.09857	2.2
585.07617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
53.73777	0.7
55.01866	5.9
55.05507	13.4
56.05121	0.7
57.03421	6.0
57.07060	1.9
61.02900	1.2
63.51274	0.9
65.03931	2.2
67.05495	31.7
69.03419	6.4
69.07063	13.8
69.39104	0.8
69.43769	7.4
69.58970	0.7
71.04981	2.6
71.12801	0.7
73.02901	7.3
76.64907	0.7
79.05485	40.6
81.03417	8.2
81.07048	37.7
83.04971	4.4
83.08613	6.8
85.02895	5.9
85.06527	2.7
91.05467	32.4
93.07032	46.7
95.04959	6.4
95.08592	25.3
95.09222	1.1
97.02891	3.7
97.06506	2.5
97.10153	2.8
97.39598	0.8
98.20793	1.9
98.21442	1.4
99.04441	3.2
99.08067	2.3
101.40428	0.8
103.05438	1.1
105.07020	42.1
107.04932	2.2
107.08582	30.6
109.02869	12.0
109.06511	3.2
109.10136	10.2
110.03660	3.7
111.00787	1.3
111.04433	6.1
111.08117	0.8
113.09631	0.9
115.05483	0.9
116.06166	0.8
117.07001	13.3
119.08562	32.8
121.06494	1.9
121.10133	23.2
123.04409	2.3
123.08079	2.6
123.11688	3.4
125.09669	1.0
127.03915	6.6
128.06230	1.7
129.06999	7.4
131.08554	17.3
132.99554	1.7
133.06584	0.7
133.10112	30.0
135.04417	1.3
135.08037	1.9
135.11676	21.4
137.02321	11.8
137.03296	1.5
137.09599	1.5
137.13246	0.9
139.03918	1.4
142.07753	1.2
143.08533	8.3
145.06404	1.4
145.10114	15.5
145.48033	0.8
147.08000	1.4
147.11671	31.0
149.09579	2.9
149.13228	13.2
151.11189	1.6
153.01814	13.1
153.12724	0.9
155.00925	0.8
155.08522	1.6
157.10081	7.4
159.11671	13.5
161.05980	0.9
161.09543	1.2
161.13249	21.6
163.03912	1.8
163.11151	3.1
163.14781	4.7
165.01869	1.3
165.12769	1.1
167.08612	0.9
169.10083	2.5
171.02989	0.8
171.11679	8.7
172.98947	0.7
173.09720	0.8
173.13234	7.2
175.11200	1.3
175.14801	9.9
177.12738	2.5
179.14230	1.2
183.11705	1.6
185.05879	1.2
185.13243	8.7
187.03970	1.1
187.07658	1.2
187.14777	2.1
189.12749	1.4
189.16347	2.1
191.00092	3.9
191.14253	1.1
195.11807	1.1
197.06039	1.2
197.13310	1.6
199.14758	6.1
201.16377	0.9
203.03386	2.1
203.14310	1.7
203.17929	1.0
207.13835	0.9
209.01135	1.3
211.03946	0.8
211.13158	1.1
213.05531	1.1
213.16420	3.4
217.15991	1.6
217.19427	0.9
231.17477	2.5
231.21005	5.5
237.09273	0.9
241.05043	0.9
241.19472	24.5
249.05507	0.9
253.04947	1.3
257.07983	0.9
259.20544	62.8
260.20868	1.2
271.20483	1.1
273.03925	1.6
275.19958	3.7
277.21603	7.9
281.04257	0.9
283.20624	1.0
287.05655	1.0
295.06024	1.2
298.04846	0.9
299.05554	1.3
301.21710	1.5
303.05130	2.2
311.05499	2.8
313.03464	3.2
315.04968	10.9
315.23044	0.8
323.05551	2.5
326.04294	2.1
327.05063	5.7
333.24283	9.0
337.07053	2.1
339.04968	9.8
339.08646	1.2
340.05685	1.7
341.06537	2.7
343.23151	1.0
349.07013	1.0
349.23578	2.7
351.25262	100.0
352.25671	4.4
353.06534	5.7
363.25305	1.4
365.06418	5.1
367.22754	1.2
375.25327	2.3
377.06573	4.3
378.07358	1.4
379.07773	5.1
383.11270	2.6
385.12842	1.3
387.25281	1.0
391.08139	2.5
392.08719	1.0
393.09650	2.9
394.10480	1.3
395.11191	19.9
407.11230	7.0
419.11331	1.1
449.20004	2.1
463.17584	1.1
467.21176	1.7
485.21967	1.4
491.16934	8.0
508.17767	0.9
509.17810	1.6
521.17938	1.4
523.22797	1.2
531.23676	1.4
541.23303	1.8
541.34698	1.4
559.23315	38.3
559.35748	1.8
560.23401	2.8
564.15424	0.8
577.24341	38.0
577.34998	2.3
578.24487	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	577.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.5
55.01863	20.3
55.05254	3.6
55.05503	45.2
56.41044	2.3
57.03196	2.1
57.03429	19.4
57.07069	3.1
57.09061	2.1
65.03926	6.1
67.05494	78.7
69.03411	7.4
69.07053	31.4
71.04974	7.8
71.61761	3.3
79.05484	79.2
81.02965	3.9
81.03410	52.4
81.07045	100.0
83.04964	20.5
83.08601	37.2
85.02894	17.7
85.06512	6.1
91.05466	75.1
93.07033	60.3
95.04954	37.4
95.08588	48.0
97.02853	4.5
97.06523	32.5
97.10165	17.5
97.41296	2.4
99.08054	4.9
101.65050	2.0
105.07014	66.2
107.04948	25.0
107.08581	44.7
107.61606	2.0
109.06535	13.0
109.10143	26.1
111.04410	5.4
111.08060	14.5
113.05965	3.9
115.05469	3.6
117.06982	22.2
119.08565	58.4
121.06506	8.3
121.10130	29.4
123.04400	2.7
123.08039	9.7
123.11689	8.9
125.09587	12.8
129.05431	2.1
129.06990	17.0
131.08548	33.3
133.06480	7.7
133.10094	39.9
135.08032	10.0
135.11693	10.7
137.02258	2.3
137.09595	8.7
139.03864	3.5
141.06969	2.5
142.07735	3.9
143.08551	8.8
145.10112	24.0
147.08002	7.5
147.11659	36.3
149.09599	29.9
149.13254	5.0
150.56139	2.0
151.11160	6.7
153.01859	3.1
155.08498	3.8
157.10121	18.7
159.08127	2.2
159.11681	19.8
161.09598	5.7
161.13275	8.9
163.11133	13.3
165.09091	3.0
165.12801	4.1
169.10088	7.2
171.11673	8.9
173.09613	4.6
173.13228	9.2
175.11180	16.9
177.12714	3.1
183.11639	5.2
184.07312	2.9
185.09615	3.1
185.13263	4.8
187.14726	3.2
189.11203	7.9
189.12695	2.5
193.12224	43.9
197.13243	4.3
199.11084	2.6
201.16322	2.7
211.13248	50.7
223.13110	3.0
227.12737	19.5
229.19464	4.1
237.02492	2.7
239.17966	4.3
247.20641	5.2
257.18863	10.6
259.20673	2.5
267.15814	22.7
269.17603	2.6
273.18530	4.1
275.20010	72.8
276.11459	2.5
277.21289	2.3
285.16925	37.2
291.19470	5.5
293.21011	13.2
301.16504	2.5
301.21509	2.5
315.22916	3.2
331.22565	3.2
333.24280	4.1
349.23685	45.1
353.06931	2.4
379.07806	3.1
381.22412	2.9
449.30228	6.5
451.13211	2.6
455.25824	2.7
467.31522	5.3
479.29816	5.1
485.32129	3.4
523.34485	3.6
541.35291	28.1
559.23242	11.9
559.36249	57.8
576.72589	2.5
577.23779	8.3
577.38025	37.9
592.00415	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	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01860	9.1
55.05506	36.6
57.03436	15.1
57.07051	4.7
59.04979	2.6
60.67025	1.8
62.76601	1.8
65.03944	5.6
67.05500	84.5
69.03418	2.6
69.07063	25.0
71.04996	15.8
73.06607	2.4
74.65456	1.8
74.90280	1.9
79.05046	3.8
79.05489	63.2
79.66181	2.3
81.03416	26.1
81.06564	4.8
81.07050	99.4
83.04973	6.9
83.08611	22.7
85.02904	2.5
85.06541	9.5
91.05471	50.9
93.07040	69.9
95.04970	19.0
95.08600	58.5
97.06520	12.6
97.10160	16.1
99.08091	3.6
105.07023	57.6
107.04962	5.3
107.08586	42.3
109.06494	5.0
109.10143	28.1
111.08079	7.3
117.07024	21.3
119.08572	47.2
121.06481	5.0
121.10149	31.9
123.08057	7.8
123.11711	10.1
125.09621	15.2
128.06195	3.4
129.07001	18.6
131.08562	37.4
133.06441	2.7
133.10124	31.7
135.08057	7.1
135.11687	16.9
137.09656	6.0
137.13246	4.0
139.11157	4.7
141.06953	3.5
142.07788	4.8
143.08606	16.3
145.10117	29.4
147.08008	3.8
147.11687	30.9
149.02484	2.1
149.09602	6.3
149.13266	11.1
155.08521	7.6
157.10112	18.3
159.11668	23.1
161.13245	13.0
163.11238	3.3
163.14857	3.4
164.39185	2.3
165.12799	2.7
165.19812	2.1
167.10710	3.0
169.10107	8.9
171.11696	12.2
173.11850	3.4
173.13223	15.0
173.14568	3.1
175.11168	6.6
175.14799	6.5
177.12723	3.1
179.14514	2.3
181.10057	3.9
183.11694	8.6
185.13260	7.2
187.11069	2.0
187.14789	8.4
189.11232	15.1
189.16466	3.5
193.12253	11.4
195.11684	5.2
195.13773	3.3
197.13220	7.1
199.13235	3.3
199.14877	5.3
201.16377	2.2
209.13255	2.7
211.14813	5.6
213.14702	3.5
227.12779	19.3
229.14360	2.6
231.17383	3.2
237.16234	2.8
239.16379	3.8
243.21146	3.0
247.16928	3.3
249.14651	2.4
259.20520	4.1
261.22171	11.8
267.15872	31.4
271.20795	2.7
273.18466	2.5
273.22153	3.9
285.22186	5.2
287.23734	3.2
289.21622	6.1
291.19559	2.6
301.20050	2.2
301.25195	10.7
302.38400	2.1
303.23273	3.6
307.18268	2.0
317.24469	3.0
323.23999	2.3
333.24124	3.0
335.25854	20.8
343.22751	2.8
351.24597	2.1
359.25870	4.9
361.27414	2.5
363.25381	7.0
373.13492	2.6
417.31454	4.5
435.27173	3.5
435.32495	19.0
453.33743	18.0
471.34665	12.1
485.36005	2.3
501.35641	2.6
509.36243	10.4
527.37280	100.0
528.37207	2.9
545.38281	82.8
546.39154	2.4
559.39978	15.5
577.40399	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	578.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.8
55.01858	3.1
55.05505	7.8
57.03434	4.8
57.07062	1.8
59.74820	0.7
61.02912	1.2
61.98493	0.7
62.45132	0.8
67.05163	1.1
67.05495	16.4
69.03402	1.1
69.07060	9.8
71.04983	9.2
71.60989	0.9
71.61377	1.9
79.05056	1.5
79.05488	19.1
79.77050	0.7
81.03404	5.7
81.07049	47.2
82.07377	0.9
83.04973	4.5
83.08612	8.7
85.02882	2.9
85.06515	1.5
89.03847	0.7
91.05463	15.3
93.07032	15.8
95.04946	7.8
95.08595	11.4
97.02865	1.6
97.06529	4.9
97.10134	1.6
99.08083	1.5
102.48721	0.8
105.06361	1.3
105.07021	15.4
106.07338	0.8
107.04935	6.6
107.08578	10.1
109.06504	20.4
109.10120	6.3
110.10513	0.9
111.04420	3.7
111.08068	2.4
113.09631	1.0
117.07000	4.6
119.08565	13.0
120.08887	0.9
121.06484	3.1
121.10128	8.8
123.04409	2.4
123.08035	5.4
123.11687	2.5
125.09563	2.3
126.62691	0.7
127.03908	3.1
129.07043	1.6
131.08559	8.0
133.06458	0.9
133.10117	11.4
135.04376	0.9
135.08017	2.5
135.11679	4.2
137.09618	2.6
139.03880	2.2
143.08549	1.8
145.10121	7.2
147.07933	0.9
147.11679	9.1
149.09575	5.0
149.13237	3.9
149.14268	0.8
151.11200	2.0
157.10080	2.7
159.11638	4.9
161.13269	2.3
163.11140	5.1
163.14816	1.8
165.12729	3.6
166.06544	0.8
169.10129	1.6
171.11659	1.6
173.09663	1.2
173.13231	2.5
175.11136	2.4
177.12679	1.7
183.11571	1.2
189.12779	1.0
191.14256	1.3
193.12263	1.9
197.13341	1.0
205.12268	1.1
211.13191	0.9
229.19528	1.4
239.18007	1.4
247.20454	2.3
257.19040	3.1
267.15802	1.7
275.20038	28.7
276.20364	1.7
285.16998	1.2
293.21048	2.6
307.22565	2.9
349.23685	100.0
350.24182	2.2
362.30255	1.1
367.24741	8.3
381.26321	34.7
542.34961	1.5
560.36334	2.4
578.37238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1489
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
53.75983	0.7
55.01866	1.1
67.01857	0.7
67.05495	1.1
68.99776	6.0
70.15401	2.9
81.03397	2.1
85.02896	1.0
89.72036	0.6
91.05450	0.7
95.04965	2.2
99.04438	1.0
105.03374	1.4
107.04965	2.0
109.02870	3.8
111.00796	2.6
111.04432	3.3
115.05417	0.9
119.04938	1.4
121.02846	1.6
123.04415	56.5
127.03899	100.0
131.04889	2.0
132.23708	0.6
135.04401	28.5
137.02330	5.5
139.03883	64.7
143.04907	1.0
143.44679	0.7
145.06509	0.9
147.04398	10.2
149.02327	5.5
149.05931	1.8
151.03889	13.7
153.05559	0.7
155.04790	0.9
158.69582	0.7
159.04343	3.0
159.31299	0.7
161.05980	4.7
163.03883	40.0
164.04253	0.7
165.05460	8.1
167.03381	9.4
169.06442	1.9
173.06038	3.2
173.07315	0.7
175.03906	3.2
175.07475	0.7
177.05402	4.2
179.03386	4.2
179.07028	0.9
181.04921	1.8
181.06427	1.4
183.04448	1.2
185.05981	1.5
187.03888	5.3
189.05409	3.4
191.03368	14.3
193.04959	4.5
197.05939	3.4
201.05460	7.6
203.03371	11.7
203.07024	2.5
205.04924	4.9
207.06506	2.0
213.05455	1.9
215.03467	1.7
215.06956	3.1
217.04897	2.1
225.05493	1.2
229.04921	9.0
231.06564	2.4
233.04376	8.9
241.04968	1.8
243.06487	4.7
245.04407	11.8
247.05998	27.2
251.05414	3.0
253.04927	2.0
255.06494	2.3
257.04413	17.3
258.05084	1.1
259.05978	11.5
269.04239	3.5
271.05978	17.8
273.07748	1.7
275.05481	19.2
275.08420	1.1
283.06003	9.7
285.07654	0.8
287.05466	28.3
289.07065	14.3
291.08597	13.2
297.07468	0.9
299.05478	4.7
301.07050	20.2
303.08517	4.2
325.06989	1.2
333.09937	0.8
391.08035	1.4
409.09131	29.9
411.10651	2.5
421.09265	1.9
427.10150	8.9
435.10608	1.0
439.10245	1.9
453.11496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.149
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.02379	0.6
52.71973	0.5
53.91912	0.5
55.01857	1.1
63.99033	0.5
65.03924	1.1
68.12752	0.5
68.99785	4.5
69.70000	1.7
69.70422	1.6
70.38634	0.5
76.92070	0.5
79.05494	0.7
81.03406	2.8
89.03899	0.8
91.05463	0.8
93.03365	0.8
94.31586	0.5
95.04955	2.2
99.04427	0.8
105.03399	0.6
107.04956	3.4
109.02856	2.6
111.00806	2.0
111.04449	3.3
117.03401	0.6
119.04930	1.8
121.02850	1.0
123.04417	43.1
127.03903	100.0
129.06956	0.5
131.04909	2.1
135.04404	31.6
137.02341	2.1
139.03886	53.3
143.04913	0.8
145.06483	0.7
147.03331	0.8
147.04399	6.7
149.02336	4.1
149.05959	1.5
151.03888	10.1
155.04861	1.0
159.04378	2.7
161.05991	3.5
163.03889	33.8
165.05452	5.8
167.03398	5.3
169.05049	0.6
169.06503	1.5
173.05969	3.7
175.03889	2.8
177.05502	3.6
179.03357	2.8
179.07065	1.0
181.04964	0.9
181.06549	0.5
183.04430	0.8
185.06007	1.3
187.03850	5.3
187.05220	0.5
187.07555	0.7
189.05479	1.8
191.03371	9.6
193.04950	3.0
197.05988	3.0
201.05449	6.2
201.07123	0.7
203.03363	6.5
203.07040	1.5
205.04930	3.0
207.06502	0.7
213.05380	1.2
215.03401	0.9
215.07048	2.8
217.04973	1.1
225.05519	1.0
229.04935	5.3
231.06497	2.0
233.04443	4.5
241.04996	1.1
243.06468	4.6
245.04428	5.5
247.06003	13.2
247.08392	0.9
251.05511	1.3
253.05070	1.3
255.06435	1.1
257.04407	7.6
258.05298	0.8
259.06033	6.4
261.07468	0.9
267.06583	0.5
269.04437	2.0
270.06628	0.6
271.05972	15.7
273.07657	1.1
275.05460	11.9
283.06027	3.9
285.07489	0.5
287.02237	0.6
287.05463	15.8
289.07043	18.6
291.08588	23.2
299.05524	1.9
301.07050	10.9
303.08585	1.9
361.65378	0.5
391.08020	0.5
409.09158	17.3
411.10849	1.4
427.10266	7.6
435.10739	1.1
439.10107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
59.55851	0.7
67.05502	0.6
68.99775	3.8
70.54887	2.0
70.94595	0.6
77.03892	0.6
81.03400	2.3
85.02866	0.6
91.05441	0.5
95.04968	1.2
99.04464	0.6
105.28965	0.6
107.04948	2.0
109.02863	2.3
111.00798	1.3
111.04414	1.6
118.99113	0.5
119.04926	1.5
121.02873	1.2
123.04413	37.4
124.72710	0.6
127.03900	100.0
128.04239	0.6
131.04883	1.7
135.04402	26.3
137.02339	1.8
139.03886	48.4
143.04919	1.0
145.06439	0.7
147.04378	6.4
149.02351	4.1
149.05931	1.4
151.03879	6.1
153.01891	0.6
155.04858	0.9
159.04384	4.0
161.05933	2.9
163.03888	32.3
165.05478	5.6
167.03349	6.1
169.04977	0.8
169.06459	1.7
173.05963	2.7
175.03899	2.5
177.05470	4.2
179.03389	3.8
181.04991	0.9
183.04356	0.9
187.03848	5.5
187.07553	1.0
189.05455	2.4
191.03357	9.1
193.04979	3.3
197.05965	2.4
201.05423	6.4
203.03389	8.3
203.07039	2.5
205.04924	3.0
207.04562	0.7
207.06537	1.7
215.03389	1.2
215.07025	2.6
217.05016	1.2
225.05440	1.5
229.04945	6.0
231.06538	1.5
233.04430	5.4
243.06459	4.1
245.04370	5.0
247.06012	15.4
251.05597	1.9
254.49290	0.7
255.06555	1.9
257.04446	8.6
258.05298	1.0
259.06000	9.3
269.04395	2.3
271.05997	18.8
273.07669	2.0
275.05478	16.7
283.05978	6.4
287.05478	22.0
289.07028	15.8
291.08600	18.5
299.05557	3.7
301.07025	15.0
303.08633	2.6
311.05469	0.8
368.84186	0.7
409.09122	25.9
411.10648	2.9
421.09412	1.4
427.10245	10.7
435.10831	1.0
439.10193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
53.23927	0.7
55.01857	1.5
55.79533	0.8
56.63715	0.8
67.05500	0.9
68.99777	4.5
79.01688	0.8
80.42967	0.7
81.03399	3.1
95.04941	1.4
97.02847	1.0
107.04951	2.7
109.02862	2.9
111.00799	2.4
111.04422	2.9
119.04929	2.9
121.02830	1.2
123.04417	49.0
127.03905	100.0
131.04904	1.1
133.13744	0.8
135.03458	0.6
135.04398	29.8
137.02315	4.7
139.03888	62.7
143.04900	1.1
147.04372	7.3
149.02344	4.9
151.03886	14.2
159.04391	2.3
161.05946	4.0
163.03893	39.6
165.01756	1.1
165.05479	7.8
167.03378	7.6
170.99715	1.0
173.05977	2.2
175.03877	3.4
177.05499	5.3
179.03317	3.7
181.06485	1.5
183.04411	1.1
185.06018	1.2
187.03827	6.1
187.07542	1.1
189.00717	2.4
189.05424	2.6
191.03395	14.5
193.04890	4.1
197.05968	3.1
201.05482	7.4
203.03436	9.1
203.07028	2.6
205.04961	4.2
207.06635	1.2
213.05463	2.0
215.03391	2.1
215.07080	2.6
217.04947	1.8
219.01811	0.8
225.05515	1.8
229.04921	7.9
229.07039	1.1
231.06519	2.5
233.04367	6.4
241.04956	1.3
243.06488	5.0
245.04451	6.4
247.06009	23.8
251.05566	1.9
255.06636	2.4
257.04459	12.4
258.05222	0.9
259.06012	12.0
261.07602	1.2
268.81271	0.8
269.04465	3.3
271.06000	20.0
273.07550	2.3
275.05487	18.4
275.08438	1.3
283.05920	8.2
285.07578	1.5
287.05469	28.4
289.07043	17.4
291.03961	1.5
291.08572	14.7
299.05563	4.8
301.07004	17.4
303.08624	3.2
309.04913	1.3
311.05560	1.0
360.52271	0.8
380.91376	0.8
381.06979	1.4
409.09164	26.0
411.10791	2.1
421.09244	1.8
427.10208	11.7
435.10712	1.1
439.10376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
51.02344	0.8
55.01853	1.2
63.53973	0.6
65.03909	1.0
67.01833	0.7
67.05483	1.1
68.99780	3.8
69.62598	4.2
70.06573	0.5
77.03905	1.2
79.05458	1.1
81.03378	2.0
85.02862	1.7
89.03908	0.7
91.05457	1.6
93.03359	0.8
95.04950	2.8
99.04453	0.7
105.03371	2.2
107.04922	3.3
109.02837	2.8
111.00797	1.8
111.04427	2.3
115.05428	0.8
117.03372	1.3
117.06993	1.0
117.74213	0.5
119.04911	3.8
121.02910	0.8
123.04413	100.0
127.03901	77.7
127.04886	1.0
129.06958	0.6
131.04935	1.2
135.04396	27.2
137.02315	3.4
137.03252	0.6
137.05942	1.3
139.03880	34.9
143.04953	0.9
145.06491	2.1
147.04393	15.0
149.02303	3.6
149.05978	2.0
151.03886	5.6
153.05426	0.6
153.07014	0.7
155.04970	0.9
159.04329	2.8
161.05963	5.3
163.03889	35.7
165.05460	10.1
167.03397	4.7
167.07007	8.5
169.05057	0.9
169.06497	1.6
170.85194	0.5
173.05971	5.5
175.03888	2.8
175.07515	0.8
177.05414	3.0
179.03384	5.1
179.07047	0.7
181.04990	3.9
181.06409	0.9
183.04469	0.8
185.05971	1.1
187.03828	5.3
189.05472	3.7
191.03349	6.6
193.04926	7.6
197.06064	2.5
201.05463	6.1
203.03374	10.5
203.07098	1.8
205.05020	1.9
207.06544	2.5
211.03940	0.6
213.05496	3.6
215.03491	2.2
215.06964	3.1
217.04965	3.7
225.05507	1.5
227.07224	0.8
229.04910	6.7
231.06651	2.1
233.04527	2.6
237.05615	0.7
241.04942	2.7
243.06520	4.5
245.04422	15.2
245.06674	0.9
247.05981	14.6
251.05449	1.0
253.05045	1.1
255.06604	2.5
257.04404	17.5
258.05359	1.7
259.05984	5.2
269.04428	3.6
271.05994	17.1
273.07800	1.1
275.05460	14.6
275.08319	0.8
283.05969	6.6
285.07745	2.6
287.05466	36.6
289.07019	10.9
289.10031	0.8
291.08606	13.5
295.06140	1.1
299.05481	9.1
301.07007	9.9
303.08633	3.3
311.05652	1.0
313.07214	1.5
315.08563	0.9
317.00183	0.6
331.08337	0.7
333.09924	2.1
387.14758	1.0
391.08276	0.7
402.83963	0.6
409.09125	38.7
411.10544	3.5
417.10037	0.8
417.15460	1.4
421.09103	2.7
427.10233	5.1
433.09018	0.9
435.10632	6.6
439.10300	5.9
451.10669	1.0
453.12341	2.3
528.20349	0.7
561.14014	1.2
579.21619	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	579.1493
Annotation	CHEBI:68333
Peak:m/z	Relative Intensity
51.02368	1.2
55.01863	2.1
57.37022	0.7
57.57222	0.7
65.03918	1.1
68.99784	2.2
70.25131	3.2
73.18021	0.6
77.03931	0.7
85.02908	1.0
91.05457	2.1
93.03396	1.0
95.04955	2.0
99.04477	0.8
105.03375	1.8
107.04928	1.5
111.00787	1.2
111.04441	4.7
119.04954	4.2
119.05653	0.7
121.02881	1.2
123.04414	100.0
124.04738	0.8
127.03904	25.1
129.06906	0.6
131.04913	1.8
133.06477	0.8
135.04395	14.8
137.02321	2.8
139.03885	86.6
141.06966	0.9
143.04916	1.4
145.02771	1.0
145.06448	1.0
147.04390	17.0
148.21210	0.7
149.02321	1.8
149.05980	1.1
150.04948	0.8
151.03882	6.5
153.05478	1.5
153.06996	0.8
157.06477	1.5
159.04407	1.8
161.05983	9.7
163.03886	50.7
165.05450	8.5
167.03391	1.5
169.06477	2.3
171.04398	1.9
173.05991	2.9
175.03914	3.2
175.07530	0.9
177.05486	2.6
179.03368	3.1
181.04968	1.7
181.06508	0.8
183.04373	1.1
185.05975	3.1
187.03883	3.1
189.05472	3.9
191.03352	4.5
191.07095	0.7
193.04956	4.8
197.05989	4.5
201.05463	4.7
203.03372	7.4
203.07034	1.7
205.05016	1.9
207.06464	1.1
209.05962	1.1
213.05452	5.8
215.07076	2.6
217.04970	3.6
218.59485	0.7
225.05479	5.2
227.06992	0.9
229.04967	9.5
230.05507	1.0
231.06509	3.0
233.04422	2.1
237.05402	1.3
241.04938	8.7
243.06490	8.9
245.04425	8.8
247.06004	18.3
253.04974	2.7
255.06448	4.6
257.04404	12.6
258.05215	0.9
259.05994	27.9
259.08728	1.4
265.04987	1.9
269.04462	2.6
271.05984	17.5
273.07535	2.2
275.05457	11.2
283.05954	8.8
285.07648	2.2
287.05457	23.0
289.07019	18.5
291.08569	7.5
295.06207	0.8
299.05374	5.2
301.06976	15.1
303.08649	1.4
313.07101	1.8
331.08090	0.9
333.09741	1.1
347.08743	0.8
365.10403	1.1
375.08411	1.4
391.08197	2.4
393.09616	5.3
405.09869	1.7
409.09137	48.6
410.09647	1.3
411.10620	3.2
417.09616	1.5
421.09085	3.6
423.10654	5.6
427.10193	13.3
433.10608	2.1
435.10669	6.8
439.10208	2.3
441.11832	5.4
453.11673	3.1
543.12897	2.3
579.14526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.81248	0.7
53.03931	1.2
55.01860	1.3
55.05486	3.6
57.03434	12.9
59.42387	0.9
61.02925	1.1
68.99780	1.0
69.03420	8.5
69.42388	2.0
69.42793	7.0
70.06578	1.8
71.01354	1.5
71.04986	74.0
73.02909	13.0
75.04454	3.3
79.05480	1.0
81.03419	1.3
81.07049	0.8
83.04977	13.1
85.02898	83.9
86.09724	0.8
87.04439	2.4
88.33899	0.9
91.05423	1.0
95.04949	2.4
97.06487	1.1
99.04446	7.0
103.03912	1.0
107.08534	1.0
109.02846	1.9
111.04436	7.5
113.06006	1.5
117.05484	9.7
121.02863	6.6
123.04379	1.0
127.03904	4.7
129.05469	29.3
135.04358	1.0
137.05986	1.0
139.03879	1.8
147.04376	1.9
147.06479	7.1
151.03964	1.0
153.01839	3.0
153.05435	2.9
163.06013	12.5
165.01791	1.4
167.07024	3.3
180.26357	0.9
181.04881	1.6
189.07549	0.9
189.98795	0.9
239.09100	2.5
241.04829	1.0
243.06807	0.8
267.51440	0.9
271.05975	1.1
283.05991	1.1
286.04556	1.2
287.05472	100.0
288.05548	0.9
297.07538	1.1
299.05441	12.5
300.06146	3.0
311.05505	3.8
325.07089	4.6
329.06528	27.0
337.06882	1.6
341.06378	1.1
351.08542	1.5
353.06534	9.7
379.08163	7.9
397.09113	19.5
415.10068	11.4
433.11276	22.3
445.61572	1.0
579.20245	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02407	1.2
53.03922	4.3
55.01854	4.2
55.05500	15.5
55.63847	1.3
57.03425	6.3
57.07067	4.4
59.20383	1.3
65.03910	3.9
67.05498	74.3
69.03405	4.5
69.07056	15.8
71.04977	2.8
71.07108	3.7
73.02892	2.2
79.05053	2.5
79.05484	37.5
81.03401	13.6
81.07048	78.3
83.04967	2.9
83.08621	12.1
85.02888	5.0
85.06524	3.3
89.03938	1.4
91.05470	24.6
91.06010	2.7
93.07034	51.2
95.04952	7.3
95.08597	59.5
97.02838	2.7
97.06494	4.1
97.10152	4.8
98.98465	20.9
99.04379	3.2
99.08071	2.8
105.07023	20.5
107.08588	39.5
108.07384	1.4
109.02871	10.9
109.06510	2.5
109.10144	35.5
110.03630	3.0
111.04395	5.2
111.08047	3.5
111.11700	1.9
113.09644	1.7
117.07007	10.5
119.08566	21.5
121.10136	35.9
123.04459	2.2
123.08044	1.9
123.11684	19.5
125.09571	2.4
127.03899	9.3
129.07013	2.7
131.08566	19.5
133.10107	17.0
135.11670	28.7
137.09621	2.5
137.13237	6.3
139.03911	1.5
139.11108	1.7
143.08478	2.6
145.10091	18.9
147.11688	12.7
149.02348	3.0
149.09610	2.5
149.13239	20.6
150.02728	1.5
151.11191	2.0
151.14755	2.5
153.12787	1.8
155.01024	24.2
157.10080	1.9
159.11676	16.4
161.13231	10.2
163.11121	1.7
163.14806	14.3
165.12686	2.2
171.11731	3.3
173.13245	13.9
175.14818	3.8
177.12791	2.3
177.16354	5.7
179.14311	4.0
184.07268	2.4
185.13159	1.4
187.14810	10.0
189.16324	1.9
191.00049	5.2
193.04991	2.0
201.16408	3.1
215.18033	1.8
219.17447	2.0
233.22659	3.3
243.21045	32.9
245.22606	3.8
248.95113	1.7
261.22113	100.0
263.23660	8.0
279.23126	3.6
287.05524	2.6
289.06821	1.5
303.75186	1.6
315.23157	1.8
317.06335	1.8
317.24780	1.6
327.90408	1.4
335.25739	12.4
337.27304	19.6
353.26807	83.7
369.24188	2.3
377.87943	1.5
443.27631	1.6
451.21356	2.9
469.22211	1.9
543.36865	2.5
561.26874	8.1
561.36810	3.6
579.28284	2.0
579.38489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.16249	0.9
55.01864	2.5
55.05504	8.8
57.03427	3.8
57.07064	4.0
60.21118	0.9
61.32559	0.8
65.03931	1.7
67.05495	59.1
69.03423	4.1
69.07059	8.6
69.49204	8.5
71.04985	2.9
71.08611	0.9
73.02904	3.7
75.04482	1.1
79.05481	27.9
81.03395	4.1
81.07047	62.6
83.04956	1.6
83.08611	6.1
85.02895	3.7
85.06532	2.2
91.05472	16.1
93.07033	38.9
95.04945	2.6
95.08594	54.6
97.02881	1.4
97.06509	3.0
97.10142	2.5
98.21037	3.8
99.04440	2.5
105.07017	15.2
106.92738	1.0
107.07856	1.6
107.08580	28.8
107.09280	1.8
109.02847	8.1
109.06527	1.4
109.10145	28.3
110.03649	2.3
111.04446	3.5
111.11702	1.0
113.09612	1.6
115.67698	1.1
116.39204	0.9
117.07008	7.3
119.08571	13.0
121.10123	22.5
123.08067	1.5
123.11693	14.9
127.03906	4.2
129.06998	1.7
131.08553	15.9
132.99580	0.9
133.10103	11.7
135.08289	1.0
135.11673	22.1
137.09639	2.2
137.13239	6.9
143.08611	1.4
145.10103	14.7
147.11656	8.6
149.13235	15.0
151.11142	2.1
151.14824	2.7
153.12820	1.2
157.10156	1.2
159.11688	12.9
161.13222	9.2
163.14789	10.5
165.12657	1.3
171.11757	1.3
173.13269	13.3
175.14830	3.1
177.12781	1.1
177.16371	3.6
179.14278	2.6
183.11665	1.0
185.13252	1.4
187.14810	7.5
191.00092	2.8
191.14301	1.8
201.16420	3.1
205.15865	2.1
209.01117	1.2
215.18011	1.1
219.17488	1.1
225.02821	0.9
233.22581	2.9
243.18513	1.3
243.21048	27.7
259.20444	1.1
261.22110	100.0
263.23611	1.8
264.41269	1.0
279.23193	5.1
303.23138	2.1
317.24716	2.1
335.25763	20.2
353.26828	89.4
369.24231	2.8
371.25845	1.1
377.26465	1.7
389.26816	2.2
427.28302	1.1
433.20364	1.5
443.27826	2.4
451.21796	2.7
469.22708	2.0
487.23508	1.7
507.24039	1.7
543.26105	1.9
561.27203	9.3
579.27771	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	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01859	8.7
55.05503	21.3
56.96556	1.9
57.03440	11.6
61.02917	5.1
65.03925	3.6
67.05499	35.8
69.03413	11.7
69.07056	22.8
69.27212	1.7
69.48621	12.6
69.49032	3.3
70.56828	1.5
71.04988	13.6
73.02901	2.7
77.17820	1.7
79.05478	32.4
81.03402	15.0
81.07050	59.4
83.04974	13.3
83.08612	16.4
85.02893	16.4
86.09699	2.5
91.03956	2.6
91.05470	22.9
93.07029	31.3
93.50259	1.8
95.04970	17.7
95.08599	19.7
97.02894	6.6
97.06520	23.3
97.10150	20.1
98.53909	1.8
99.04424	3.0
99.08076	3.3
105.07014	25.4
107.04945	11.1
107.08601	24.2
109.02831	3.4
109.06516	12.2
109.10164	10.4
111.04420	13.5
111.08060	6.3
113.06010	2.0
115.07565	8.8
117.07000	12.8
119.08560	20.6
121.06521	10.1
121.10114	14.8
123.04414	6.8
123.08060	16.9
123.11688	1.9
125.05996	3.2
125.09621	14.8
127.03893	16.0
128.04219	2.8
129.05547	2.0
129.06978	5.8
131.08551	18.2
133.06508	4.9
133.10136	13.1
135.04420	3.3
135.08020	8.6
135.11649	7.1
137.05972	3.5
137.09605	6.2
139.03908	8.1
143.08546	6.3
145.04915	3.3
145.06529	2.9
145.10146	12.0
147.04453	2.5
147.08022	11.0
147.11662	7.9
149.09592	7.3
149.13284	3.7
153.09053	4.3
153.12730	3.8
156.09308	2.1
157.10129	6.3
159.08008	3.0
159.11693	9.1
161.09595	8.6
163.03868	2.8
163.11159	16.1
165.09109	5.0
167.07021	6.7
169.10126	3.3
171.11644	3.6
173.09601	3.4
175.11180	5.9
177.12691	4.2
179.10574	2.0
181.05037	2.7
181.12267	4.2
183.11678	3.1
184.07397	2.7
185.13235	2.3
187.11122	2.5
189.11201	17.8
189.12726	2.8
191.10626	3.3
193.12279	3.7
201.12660	2.4
217.15869	4.2
219.14012	2.2
221.18935	2.3
223.13283	4.4
227.12770	9.7
227.17918	2.5
233.15453	2.6
245.13823	2.8
245.19009	5.0
255.17349	3.7
267.15851	2.5
269.17395	19.0
271.05920	1.8
273.18475	34.4
280.51038	2.3
283.15387	4.5
291.19507	72.3
297.16949	2.7
303.04987	8.2
304.05362	9.4
307.18961	2.4
309.20444	8.8
347.22281	11.1
365.23193	100.0
366.23682	2.6
371.14734	2.6
372.07504	2.4
383.24243	68.8
416.10690	3.9
419.13531	2.1
434.11536	6.5
435.06906	7.7
492.91489	2.0
539.15839	2.2
580.15747	2.3
580.24408	26.7
580.33698	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01867	10.7
55.05504	21.4
56.86338	1.2
56.96531	2.0
57.03435	15.6
57.07065	1.7
59.04989	2.4
61.02919	8.0
65.03923	3.4
67.05499	61.6
69.03419	5.1
69.07062	49.7
69.99439	2.5
69.99847	5.1
71.04976	8.1
73.02915	2.9
79.05486	35.4
81.03400	7.3
81.07047	52.1
83.04988	6.4
83.08615	11.7
85.02890	11.4
85.06526	3.5
87.04479	1.7
91.03942	3.0
91.05470	40.0
93.07031	33.5
95.04962	13.0
95.08598	33.5
97.02879	5.1
97.06512	17.2
97.10139	6.1
99.04458	1.8
99.08076	3.3
103.03952	2.3
103.05448	1.6
105.06368	2.7
105.07022	32.2
107.04962	8.9
107.08581	19.3
109.02831	1.3
109.06520	5.7
109.10146	31.8
111.08048	4.4
113.09576	1.8
115.03952	1.6
117.07021	11.6
119.08566	20.1
121.06483	6.0
121.10139	12.0
123.04411	4.2
123.08052	5.1
123.11687	3.5
125.09624	6.1
127.03909	6.1
129.05502	2.7
129.06970	4.3
129.22662	1.3
130.07854	1.5
131.08543	13.8
133.06505	1.7
133.10100	19.4
135.04353	1.4
135.08052	4.7
135.11681	11.4
137.05917	1.4
137.09590	11.3
139.03853	7.8
141.06985	1.8
141.09109	1.2
143.08553	2.4
145.10106	13.7
147.11696	11.9
149.09598	14.4
149.13226	3.0
151.11188	2.9
155.08528	2.6
155.10663	2.2
157.10124	3.9
159.08041	1.8
159.11670	10.9
161.05986	1.8
161.09665	2.9
161.13226	8.2
163.03882	4.0
163.11151	8.7
165.09131	1.4
169.10095	2.8
171.10159	10.6
171.11635	3.4
173.11722	16.6
173.13239	6.1
177.12680	3.8
179.14279	5.3
183.11652	2.1
187.11147	2.1
191.14253	2.6
197.13293	2.1
205.12080	1.3
223.13290	2.1
227.12621	2.0
229.14326	32.4
229.19472	4.2
239.17889	3.9
241.14357	2.2
243.15869	7.5
247.20576	6.1
253.17952	2.9
255.15958	4.5
257.18930	7.7
267.15726	1.5
269.17416	3.3
271.15524	1.9
273.18417	2.6
275.20016	35.4
291.19519	5.0
293.21118	4.1
297.17056	2.6
349.23691	100.0
350.24249	1.5
367.24670	11.1
383.24445	2.3
491.20291	1.7
562.24811	2.4
580.33240	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	580.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98810	0.8
51.02339	0.9
51.33201	0.8
53.03933	2.9
55.01862	2.4
55.05507	4.7
56.05023	4.0
56.96565	1.1
57.03429	3.9
57.07061	1.0
58.06586	0.9
60.04520	86.8
61.02924	2.0
67.05499	14.1
68.99776	0.9
69.03425	13.4
69.07056	6.1
69.47887	2.9
69.48312	5.5
70.06578	2.4
71.04984	6.4
72.04519	2.6
73.02917	3.3
74.06071	4.1
79.05481	10.1
81.03404	11.1
81.07051	20.5
82.06567	1.8
83.04971	1.2
83.08614	3.4
84.04502	1.2
84.08115	1.4
85.02896	30.0
86.03233	1.0
86.06070	2.0
87.00824	4.7
87.04462	1.2
91.05473	8.6
93.07032	14.5
94.06561	2.6
95.04962	4.1
95.08597	18.6
96.08119	2.2
97.02887	7.8
97.06525	3.0
97.10173	1.8
99.04477	4.8
102.05552	2.1
103.03954	1.7
104.07093	2.6
105.01871	3.3
105.07020	16.2
107.08588	14.4
109.02862	9.8
109.10146	11.6
111.04418	1.2
115.03909	1.1
116.07132	1.1
117.06996	1.3
119.08563	9.3
121.06577	1.0
121.10124	9.4
123.04410	3.1
123.11720	3.7
124.04783	1.1
125.09639	1.3
127.02966	1.1
127.03902	21.6
128.04271	1.5
129.01836	1.8
131.08580	2.2
133.10104	7.0
135.04417	1.3
135.08083	1.0
135.11694	6.0
135.15849	0.9
137.13202	1.2
139.03885	4.4
145.04964	6.0
147.04414	1.5
147.11664	12.2
149.13289	2.0
159.02887	2.5
159.11731	1.4
161.13234	3.5
163.03918	2.1
163.05974	1.5
163.14787	1.6
167.07031	2.7
174.09068	1.0
175.14748	1.8
182.45058	0.9
192.07462	1.0
203.17958	15.6
205.19563	1.4
221.18964	1.4
224.83226	1.1
248.23790	1.1
258.04993	1.2
260.23819	2.7
266.12369	1.0
278.24713	6.9
296.25833	9.1
303.05215	1.3
304.05411	1.7
310.11230	1.7
313.63281	1.3
314.23203	1.1
314.26865	19.1
332.27911	55.3
365.23218	2.0
374.29221	3.0
397.66690	1.0
415.10468	1.6
416.10574	4.9
433.11392	2.1
434.11673	5.8
435.07040	2.6
440.30560	1.1
470.18021	1.0
494.33502	1.2
518.33093	1.0
526.30280	2.2
536.34174	6.3
562.32172	5.4
580.33264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70930	1.2
53.03936	2.5
55.01848	6.1
55.05504	21.9
57.03434	9.9
60.04511	1.7
61.02901	6.1
65.03917	1.9
67.05498	26.1
69.03412	8.1
69.07063	22.5
69.54224	8.1
69.54651	4.4
70.06573	4.0
71.04990	9.6
71.40999	1.3
73.02913	2.6
79.05492	27.7
81.03416	13.2
81.07048	54.7
83.04975	9.7
83.08603	11.2
85.02895	13.0
85.06503	1.8
86.09699	1.4
91.03954	2.7
91.05470	18.6
93.07036	27.4
95.04964	14.6
95.08598	16.1
97.02889	6.8
97.06519	18.5
97.10158	18.4
99.04429	5.9
103.05407	1.8
105.07026	20.3
107.04937	5.7
107.08587	18.8
109.02848	1.6
109.06522	6.9
109.10151	12.3
111.04440	10.0
111.08064	4.1
115.07562	4.8
117.06985	10.9
119.04857	1.6
119.08572	18.8
121.06502	7.3
121.10126	10.9
123.04388	3.3
123.08047	17.7
123.11714	2.2
125.09634	20.6
127.03895	3.8
129.05452	2.3
129.06984	6.5
131.08566	12.7
133.06480	4.1
133.10130	11.2
135.08052	8.0
135.11641	7.2
137.09615	4.2
139.03876	2.5
143.08566	4.6
145.10088	12.8
146.30576	1.4
147.08018	7.8
147.11674	4.8
149.09583	5.7
149.13246	4.6
151.07501	1.7
151.11134	1.4
153.09096	2.9
153.12735	3.2
157.10081	3.7
159.11652	8.2
161.09645	11.9
163.11165	13.1
165.09070	3.3
167.07004	1.8
169.10043	1.8
171.11635	3.4
173.09627	2.4
175.11169	4.9
177.12756	4.0
179.10666	3.4
181.12210	3.9
184.07239	2.2
185.13269	1.6
189.11252	11.7
189.12749	3.0
191.10638	3.5
191.44403	1.3
193.12274	3.8
203.17938	2.1
217.15794	3.1
223.13261	2.4
227.12784	6.1
233.15237	2.1
255.17409	1.9
269.17422	9.5
273.18494	26.2
291.19501	39.0
309.20590	6.1
332.27963	2.9
347.21964	7.3
350.14508	1.5
365.23187	57.6
383.24237	100.0
416.11090	2.1
434.11700	3.4
545.29626	2.8
580.34332	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	581.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01869	1.3
55.05504	6.2
57.03439	0.3
65.03930	0.9
67.05157	0.4
67.05492	3.9
68.99791	1.4
69.03410	0.8
69.07063	2.3
69.89688	1.7
70.30923	0.2
71.04985	0.4
79.05484	1.8
81.03400	0.4
81.07050	4.1
83.04964	1.6
83.08139	0.4
83.08611	5.3
85.02888	0.5
86.37224	0.3
91.05466	1.2
93.03398	0.7
93.07016	1.6
95.04960	0.7
95.08594	3.5
97.02898	0.7
97.06506	0.5
97.10155	0.8
105.07001	0.8
107.04946	0.4
107.08594	0.9
109.06512	0.7
109.10117	1.1
111.04427	4.5
111.08056	0.9
113.09582	0.5
115.05446	0.3
117.06979	0.4
119.08580	0.9
121.02850	0.4
121.06452	0.3
121.10103	0.5
123.04411	4.5
125.09583	0.5
127.03909	0.5
129.06996	0.3
131.04895	0.7
131.08524	0.4
133.10065	0.5
135.04388	0.5
137.05933	0.6
137.09595	0.4
139.03879	100.0
140.04189	0.7
141.01816	0.3
141.05466	0.3
141.06955	0.3
143.04881	0.5
145.06421	0.5
145.10071	0.4
147.04373	0.6
149.05972	1.7
151.03886	4.2
153.05409	1.1
153.06848	0.4
157.06470	0.6
159.11693	0.3
161.05945	2.8
163.03897	7.4
163.07532	0.9
165.05595	0.6
165.06935	0.6
167.07042	0.3
167.08473	0.5
169.06488	0.5
171.04288	0.3
171.08035	0.3
173.05956	5.8
175.03915	0.4
175.07542	1.8
177.01941	0.3
177.05418	0.7
179.03384	0.5
181.04950	0.6
181.06505	1.0
181.09935	0.3
183.08025	0.5
183.34531	0.3
185.05968	0.6
187.03935	0.3
187.07492	3.1
187.11115	0.3
189.05429	1.2
189.09111	0.3
191.03535	0.3
193.10187	0.4
195.08060	0.7
197.05975	1.7
198.06741	0.5
199.07521	2.6
201.05467	0.8
201.09094	1.8
203.03316	0.4
203.07008	0.7
203.10489	0.3
205.06723	0.3
207.08101	0.5
208.08781	0.3
209.09555	0.4
210.06815	0.4
211.07497	3.3
212.08260	0.4
213.05501	1.3
213.09059	2.0
215.07033	0.6
215.10527	0.5
219.08270	0.4
221.09651	0.3
223.07384	1.4
224.08264	0.6
225.05472	0.3
225.09068	1.9
226.06146	0.4
227.06946	1.6
227.10626	0.7
229.04813	0.4
229.08557	0.4
235.07520	0.5
237.05540	0.3
237.09113	1.2
239.06998	1.6
239.10634	0.4
241.08536	0.6
247.07567	0.4
249.09029	0.7
249.12956	0.3
250.09830	0.5
251.06955	0.6
251.10593	0.9
253.08517	0.7
253.12120	0.7
255.06409	0.3
255.13918	0.5
261.08859	0.3
263.07184	0.3
263.10617	0.5
265.08530	0.5
265.12238	1.0
267.06769	0.3
267.13800	1.2
269.11935	0.5
269.15228	0.5
276.11304	0.4
277.12213	0.7
279.13736	0.4
281.11438	0.3
281.15399	0.4
283.06061	1.7
283.13275	0.5
285.14822	1.8
287.13226	0.3
287.16351	0.6
289.14444	0.5
291.13727	0.7
293.11771	0.4
293.15137	0.3
295.06018	2.0
295.13226	0.5
297.14944	0.3
301.14767	0.3
303.15979	1.5
305.17764	0.4
307.13449	0.4
308.06570	0.4
309.07523	1.1
311.09250	0.4
313.07117	0.3
313.14301	0.8
315.15829	0.8
323.09213	0.3
323.16522	0.5
325.14304	0.6
327.15829	0.7
329.17514	0.4
331.15442	0.5
339.15921	0.9
341.17505	0.5
351.15784	0.3
355.15265	0.4
369.16891	0.5
371.14957	0.3
377.21017	0.8
379.22397	0.4
383.22000	0.5
391.22437	0.8
395.21976	2.5
397.23709	0.3
401.20862	1.3
403.15277	0.4
407.22037	1.6
409.23709	0.6
411.21643	0.4
413.23206	4.8
419.22217	4.0
421.16617	0.9
425.17279	0.5
425.23120	8.8
431.24161	1.0
435.18045	0.7
437.16016	1.6
437.23138	6.6
439.17487	1.9
441.22427	0.3
443.24374	2.1
447.18143	0.4
451.17603	0.3
453.18973	0.6
455.24426	0.4
465.19214	0.4
471.16809	0.3
475.17526	0.5
476.18396	0.3
527.24152	0.9
545.25354	2.9
563.26312	4.4
581.17017	0.5
581.27185	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2895
Annotation	Aralionine A
Peak:m/z	Relative Intensity
50.01593	0.6
53.03932	1.8
55.01852	2.4
55.05502	9.7
57.03404	0.7
61.71471	0.6
63.80859	0.6
64.07923	0.6
65.03927	0.7
67.05159	1.1
67.05496	14.3
68.99799	0.8
69.03402	2.1
69.07059	4.6
71.04966	1.1
71.36023	0.7
71.62582	0.9
77.03887	1.6
78.56161	0.7
79.05486	7.6
81.03404	6.6
81.07044	12.9
83.04972	2.1
83.08610	6.4
85.02894	1.7
85.06495	0.7
88.33096	0.6
91.05470	9.7
93.07028	7.3
95.04953	4.5
95.08591	6.7
97.02817	0.8
97.06500	1.6
97.10129	1.7
105.03357	1.0
105.07015	6.6
107.04926	2.9
107.08589	4.6
109.02856	3.1
109.06516	1.8
109.10144	6.4
111.04423	0.7
111.08049	1.3
113.09622	2.0
115.05397	1.2
117.06986	2.0
117.71685	0.6
119.04919	7.1
119.08569	4.7
121.06487	1.1
121.10123	4.1
123.04411	100.0
123.11703	1.7
125.09593	1.0
127.03880	0.9
127.11167	1.3
129.05499	0.8
129.07001	1.6
131.08556	3.0
133.06477	1.7
133.10117	3.2
135.04433	1.9
135.08022	0.9
135.11656	1.5
137.02345	0.8
137.05957	1.8
137.09566	1.1
139.03879	7.9
141.06944	0.9
143.08540	1.1
145.06490	1.2
145.10100	2.2
147.04390	19.1
147.08012	0.8
147.11647	3.4
149.05945	2.2
149.09599	3.0
149.13284	1.0
151.03882	25.0
153.05453	9.3
155.08542	1.3
157.06531	0.9
157.10094	0.8
159.08125	1.1
159.11691	1.3
161.05974	3.3
163.03885	12.2
163.07561	1.2
163.11171	0.9
165.05469	11.9
165.12729	0.9
169.04982	1.7
173.05983	1.3
173.11655	1.3
175.03911	4.8
175.07550	1.3
175.11156	1.2
177.05446	13.9
177.09087	0.8
179.03407	9.7
179.07024	3.8
187.03922	3.4
189.05450	5.7
189.09132	1.2
191.03397	0.8
191.07033	2.9
191.10605	1.6
193.04962	1.3
193.12190	1.3
201.05487	1.4
203.03372	1.4
203.07074	2.4
203.10616	1.2
205.04803	1.6
205.08623	1.2
209.10672	1.1
211.13306	2.8
213.05434	1.7
213.09131	1.4
215.07010	2.8
215.10631	0.7
219.10136	11.6
221.11673	6.1
225.10243	0.8
227.06944	1.3
229.05025	0.8
229.08592	1.6
229.14270	1.4
231.10129	14.9
233.11737	0.9
238.11069	1.0
241.08510	0.8
241.12238	1.6
243.10155	2.7
245.11829	1.5
247.13255	1.0
249.11143	3.9
255.10193	0.7
257.11902	0.8
259.13174	3.3
267.15912	1.2
269.11942	0.7
271.05930	0.7
273.11212	1.2
275.16489	1.8
275.20081	1.8
285.07587	1.6
287.12753	3.7
287.16211	1.4
289.14417	1.4
297.12198	7.2
299.12881	2.1
299.16373	2.3
307.15424	0.8
311.16278	1.3
315.16055	1.1
317.13815	2.5
327.08466	1.2
327.15726	0.8
339.15704	1.9
343.15524	0.7
345.16882	1.1
355.07571	0.7
355.17654	1.0
357.17084	1.4
357.24176	0.9
363.12244	1.1
364.13040	1.0
365.13861	1.0
367.22516	2.6
369.17191	1.0
382.14056	0.7
383.14874	2.0
385.23941	3.1
395.22125	4.2
407.22202	1.4
413.23175	32.5
421.16504	2.0
425.23157	7.8
431.24255	52.9
437.23502	0.8
439.17493	2.2
439.27289	0.9
443.24094	1.4
478.19739	1.2
491.20142	1.2
496.21243	0.7
529.26056	2.3
547.26874	7.8
565.27985	5.7
583.23834	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	583.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03946	1.3
55.01854	2.3
55.05503	25.5
57.07066	0.6
62.34892	0.6
67.05497	10.8
69.03410	1.2
69.07061	5.0
69.36227	3.2
69.36662	3.0
71.04984	1.1
77.03904	1.4
79.05481	5.0
81.03419	1.4
81.07047	10.4
83.04961	1.9
83.08609	20.4
83.09097	0.7
85.02919	0.9
91.05460	7.5
92.23990	0.5
93.07042	7.0
95.04955	4.5
95.08593	15.4
97.06532	1.0
97.10133	1.7
98.21250	2.5
103.05447	0.5
105.03361	1.6
105.07029	5.6
107.04945	1.9
107.08567	4.9
109.02872	1.5
109.06519	1.5
109.10123	5.2
111.04396	0.7
111.08074	4.6
113.09638	5.2
117.07005	1.7
119.04919	5.0
119.08555	4.2
121.06467	1.3
121.10125	5.3
123.04410	100.0
123.08015	1.2
123.11749	1.0
124.04765	0.8
125.02289	1.0
125.09604	1.7
127.03902	0.6
127.11196	2.6
129.06998	1.6
131.08525	3.4
133.06471	1.0
133.10117	2.7
135.04376	2.3
135.08006	1.6
135.11702	0.9
137.05968	7.0
139.03876	22.2
139.11131	1.7
141.06982	0.9
143.08563	1.7
145.06499	0.9
145.10112	2.8
147.04384	17.5
147.05495	1.2
147.08070	1.1
147.11682	2.1
149.05975	2.7
149.09624	2.7
149.13269	0.7
151.03880	17.3
151.11128	0.7
153.05441	11.5
159.08046	1.2
159.11688	1.0
161.05933	4.5
161.09650	0.7
161.13260	0.6
163.03879	12.5
163.07521	1.6
163.11198	1.6
165.05458	11.7
167.03435	0.9
167.07043	1.1
167.08461	0.7
169.04906	1.0
169.10149	0.7
171.11612	0.9
173.06021	1.2
173.09613	1.1
173.13203	1.1
175.03885	5.9
175.07567	2.2
177.05443	20.0
177.08981	1.1
179.07040	6.0
183.08116	0.7
183.11633	1.2
184.44644	0.6
187.03915	2.5
187.07568	1.4
189.05424	6.5
189.09116	1.4
189.12685	1.5
191.03384	2.9
191.07016	6.4
193.04971	1.6
195.11900	1.0
197.13200	1.4
199.07524	1.5
201.05376	2.1
203.03415	0.8
203.06927	3.9
205.05002	1.1
205.08569	1.8
207.06587	0.8
213.05481	1.2
213.09109	1.1
215.07030	2.2
217.08617	2.2
219.06548	0.9
219.10017	1.1
221.13405	0.7
227.06970	1.2
229.08572	1.5
231.06454	0.9
231.10098	1.4
231.13802	1.1
233.11792	1.2
241.08623	0.7
241.12218	2.8
243.10112	2.0
243.13875	1.0
249.11176	3.1
257.11609	1.7
257.15305	0.6
257.19077	0.7
259.13272	11.6
261.11194	1.8
263.12726	1.1
269.11707	1.9
271.13272	3.0
273.14798	1.2
275.12799	4.3
275.16412	6.8
275.19727	1.5
283.05856	0.7
285.07608	2.4
285.14777	0.8
287.12744	15.1
287.15790	1.1
289.14313	10.6
293.21036	1.2
297.07504	0.7
299.12750	3.6
301.14142	2.8
303.15826	3.2
304.11670	1.4
305.13690	3.5
307.15247	3.8
311.12833	0.8
315.15845	0.9
317.13760	4.0
319.15341	2.5
327.08548	0.8
329.13861	1.7
329.79114	0.6
331.15472	0.7
345.17023	1.1
367.22543	1.3
377.20926	0.8
385.23846	3.4
395.22144	13.6
402.17731	0.9
407.22046	1.9
413.23190	43.0
421.16351	6.4
425.23267	6.2
431.24219	41.5
431.30246	1.3
439.17471	12.7
443.24313	5.4
451.17590	1.3
469.18759	1.3
477.19095	1.4
495.20313	1.0
529.25818	2.0
547.26953	7.0
565.27948	7.2
583.25134	10.3
583.32977	0.8
583.40942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.05507	15.1
57.07064	7.3
59.04991	3.9
65.03935	4.1
67.05499	23.3
69.03418	9.0
69.07066	18.3
69.43112	14.7
71.05007	1.7
73.01980	1.7
77.03901	3.1
79.05489	20.4
81.07053	30.6
83.04972	6.8
83.08634	9.0
85.06525	5.3
86.15314	1.5
91.05471	41.5
91.05991	2.8
93.07040	52.5
95.04957	9.8
95.05486	1.5
95.08604	30.8
97.06538	4.8
97.10188	2.2
103.05474	4.7
105.07025	64.1
106.62995	1.5
107.08588	44.8
108.26817	1.6
108.27486	1.9
109.06513	12.4
109.10156	17.8
111.08107	2.6
115.05459	6.7
117.07027	14.3
118.32847	1.6
119.08572	80.4
121.06486	3.7
121.10142	41.0
121.62636	1.6
123.08069	13.7
123.11701	8.4
125.06000	2.4
128.06212	13.4
129.07018	16.0
130.07777	6.6
131.08554	29.0
133.06488	4.2
133.10120	42.6
133.11064	3.5
135.08029	9.7
135.11681	15.3
137.09599	10.6
141.07005	7.5
142.07777	20.5
143.08553	35.0
144.09296	8.4
145.06442	2.0
145.10101	44.3
147.08040	18.4
147.11699	15.7
149.09641	7.7
149.13289	2.2
151.07535	13.8
151.11189	2.0
153.06958	3.6
154.07744	3.7
155.08516	18.0
156.09343	14.9
157.10126	50.8
158.10880	7.4
159.08069	3.9
159.11685	22.3
161.09633	6.1
161.13237	7.9
163.11176	7.7
165.06975	5.8
165.09113	28.1
166.07739	3.1
167.08522	10.3
167.10670	12.0
168.09341	8.9
169.10120	29.9
170.10867	10.9
171.11673	31.3
172.12112	2.3
173.09586	4.0
173.13263	23.0
175.11116	3.1
175.14748	8.3
179.08519	14.7
180.09291	4.2
181.10138	16.3
181.12221	5.1
182.10899	8.8
183.11693	28.1
184.12421	5.8
185.09656	1.9
185.13260	19.7
187.11255	2.8
187.14865	6.7
189.12758	5.7
191.14250	10.4
192.09360	5.3
193.10146	12.6
194.10866	10.0
195.11665	20.9
196.12462	7.9
197.13269	19.0
198.14073	3.2
199.11252	3.3
199.14798	18.2
201.12746	2.3
201.16461	3.0
203.14333	12.0
204.09366	1.9
205.10191	4.8
206.10956	6.7
207.11716	16.9
207.13818	4.9
208.12497	7.2
209.13287	25.7
209.15302	3.4
210.13991	4.2
211.14725	11.5
213.12718	3.1
213.16431	3.7
215.14313	2.9
217.10178	4.7
217.15865	13.7
218.10867	3.5
219.11716	7.3
220.12509	6.7
221.13278	15.4
221.15399	62.2
222.14024	3.5
223.14717	13.1
224.15736	2.0
225.12715	2.5
225.16367	6.1
227.14388	3.5
229.15779	2.1
231.11716	6.6
231.17442	2.7
232.12337	3.5
233.13214	9.5
233.15414	6.5
234.14047	6.0
235.14906	13.0
236.15717	3.8
237.16403	7.2
239.18025	5.0
243.11725	2.4
244.12570	2.2
245.13242	7.2
246.14072	6.4
247.14850	10.3
247.17039	2.9
248.15610	4.6
249.16316	11.1
251.18008	4.1
255.17323	2.4
257.19022	8.5
258.14169	2.4
259.14832	5.0
260.15652	3.7
261.16394	8.7
263.18051	6.9
265.19553	9.3
269.13297	2.4
269.19162	4.0
271.14694	3.0
271.20511	2.7
273.16400	5.9
274.17096	1.9
275.17856	13.9
277.19540	4.9
279.21170	2.4
281.19009	2.6
283.20514	18.0
285.18820	2.3
287.17770	2.6
287.20456	2.0
289.19418	4.7
291.21143	2.4
295.20673	3.6
297.22183	5.1
299.17645	3.2
301.19244	2.4
307.20657	2.5
315.21066	3.6
329.22748	2.5
331.24142	8.3
335.23773	2.3
347.24014	1.9
349.25299	6.7
361.25198	2.5
365.25067	2.6
375.26822	6.9
403.30023	6.2
473.55338	1.8
491.34894	6.3
503.35275	4.3
527.35699	1.9
547.39380	4.0
565.40387	22.8
583.41443	100.0
584.41913	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95620	2.7
53.03941	3.0
55.01862	4.0
55.05505	19.7
57.07068	8.9
59.04996	5.8
60.05999	2.4
65.03938	4.5
65.42794	2.4
67.05493	33.4
69.03437	7.2
69.07059	19.2
71.07264	6.3
71.07618	2.7
74.49298	3.4
79.05489	27.7
79.77495	2.8
81.07047	46.0
83.04977	7.0
83.08617	11.1
84.34180	3.2
85.06561	8.2
91.05464	36.5
93.07034	46.8
95.04961	15.7
95.08596	34.3
97.06536	5.9
103.05511	3.3
105.07016	54.2
107.08582	39.2
109.06502	13.9
109.10144	23.6
115.05479	5.7
117.06995	16.2
119.04959	3.9
119.08561	73.1
121.06528	8.3
121.10121	50.8
121.10917	4.7
123.08105	11.8
123.11709	9.0
125.06065	3.3
128.06201	6.1
129.06990	15.8
131.08543	31.3
133.06493	6.4
133.10112	34.4
135.08058	10.0
135.11705	10.9
137.09637	10.2
139.11200	4.8
141.06996	7.0
142.07791	16.7
143.08542	27.4
145.10109	45.5
147.08099	8.2
147.11736	12.9
149.09613	11.0
149.13246	5.6
151.07552	8.6
155.08578	14.4
156.09338	12.1
157.10115	41.8
158.10931	7.1
159.08093	6.5
159.11690	23.4
161.09644	9.6
161.13252	7.2
163.11240	7.6
165.06996	4.8
165.09048	24.9
166.07901	2.8
167.08582	8.2
167.10664	40.1
168.09435	6.9
169.10147	20.4
170.10966	5.7
171.11674	27.1
173.09669	6.3
173.13289	17.5
175.14830	10.1
179.08598	7.7
179.14523	2.8
180.09340	4.6
181.10091	14.1
181.12259	3.0
182.11014	8.1
183.11652	19.3
185.09610	3.9
185.13242	15.3
187.11209	6.2
187.14812	6.1
189.12794	5.8
191.14268	4.3
193.10132	9.7
194.10927	5.4
195.11708	16.6
196.12421	4.5
197.13231	15.7
199.14853	11.6
201.16415	5.5
203.14359	8.8
206.10936	6.2
207.11714	13.3
207.13921	8.1
208.12502	3.3
209.13287	20.2
211.14960	11.5
215.14326	3.5
217.15938	7.3
219.11732	8.1
220.12561	4.8
221.13272	11.8
221.15421	46.2
223.14922	10.4
225.16336	3.3
231.11710	4.2
233.13301	5.3
233.15407	8.9
234.14095	3.9
235.14842	12.8
245.13278	3.8
247.14957	4.2
249.16457	5.6
257.13248	3.8
257.18912	6.5
259.14749	4.2
260.15637	5.2
261.16357	6.0
263.18082	5.5
265.19629	5.9
269.19049	4.0
273.18570	10.4
275.17572	3.3
275.20126	8.5
281.19275	3.4
283.20605	11.3
287.20361	3.6
289.19363	4.8
291.19803	8.9
295.20575	3.8
300.07343	3.7
305.19153	2.9
311.20303	6.8
331.24286	3.5
349.25296	3.9
365.24939	3.9
375.27100	3.8
377.24704	3.8
403.30063	8.4
491.34674	5.2
547.39203	4.3
565.40442	19.9
583.41437	100.0
584.41888	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05496	4.9
57.06820	0.6
57.07057	4.6
59.04985	1.2
65.03931	0.9
67.05491	8.4
69.03430	4.4
69.07060	5.1
70.70711	2.2
77.77568	0.6
79.05484	7.9
81.07046	12.0
83.04971	2.1
83.08603	2.9
85.06554	1.4
91.05463	12.5
93.07030	19.1
95.04969	4.7
95.08592	18.9
95.89073	0.6
96.95569	0.7
97.06541	1.2
97.10143	1.3
103.05438	1.2
105.07015	24.5
107.08578	12.7
109.06471	3.9
109.10134	5.1
111.08037	0.8
115.05418	1.1
117.06963	4.1
119.08564	22.8
119.28047	0.7
121.06481	2.4
121.10123	15.2
123.08044	13.4
123.11703	1.6
125.05948	0.8
128.06206	2.5
129.06973	4.4
130.07794	1.4
131.08548	8.7
133.06500	1.7
133.10109	11.1
135.08028	6.2
135.11702	3.7
137.09601	7.3
141.06985	1.2
142.07794	6.5
143.08542	10.4
144.09351	2.3
145.10092	15.1
147.08026	11.7
147.11696	4.6
149.09616	2.5
151.07524	15.7
151.08635	1.1
154.07703	0.9
155.08536	3.9
156.09319	5.9
157.10101	19.8
158.10866	2.2
159.08032	1.4
159.11676	11.2
161.09605	3.8
161.13232	4.8
163.11148	2.9
165.06993	1.2
165.09091	26.1
166.07813	0.9
167.08607	2.7
168.09317	1.8
169.10095	8.0
170.10884	3.2
171.11665	12.1
173.09570	1.4
173.13278	6.2
175.11192	1.6
175.14812	2.3
177.12665	0.9
179.08505	3.9
180.09399	1.2
181.10123	3.6
181.12238	2.3
182.10858	3.4
183.11674	9.4
184.12370	0.9
185.09622	0.8
185.13217	9.0
187.14795	2.3
189.12743	4.2
192.09204	1.6
193.10141	3.9
194.10887	2.5
195.11647	5.9
196.12469	2.1
197.13217	8.2
198.13756	0.9
199.11145	1.3
199.14835	4.2
201.12567	1.4
201.16434	1.4
203.14281	14.1
205.10068	1.1
206.10880	2.3
207.11670	5.6
207.13803	6.4
208.12463	1.8
209.13243	9.6
209.15128	1.3
210.14006	0.9
211.11150	1.5
211.14670	4.6
213.12740	1.4
213.16293	3.3
215.14314	1.4
217.12213	0.7
217.15892	1.0
218.10808	0.9
219.11690	2.1
220.12427	2.2
221.13234	7.0
221.15305	44.3
222.13922	1.7
222.15843	1.0
223.14740	5.2
225.16359	2.1
229.15855	1.1
231.11555	1.7
231.13745	0.9
231.17461	0.9
233.13367	3.3
233.15353	0.9
234.14047	1.9
235.14816	4.0
237.16385	2.6
239.14313	0.9
239.18025	2.2
245.13217	2.0
246.13974	1.6
247.14807	2.9
247.16931	1.5
249.16434	3.4
251.17979	2.8
253.19543	2.3
257.18988	2.9
258.14050	0.9
259.14859	1.9
259.20578	0.8
260.15714	1.1
261.16360	2.4
263.17938	2.2
265.19485	1.7
267.20956	0.9
269.18918	1.5
271.14679	0.8
271.20584	1.9
274.17285	1.2
275.17905	1.9
277.19522	2.1
279.21072	2.4
281.19070	0.9
283.20557	2.9
286.19394	1.1
287.20111	2.7
289.19440	1.5
291.21054	0.7
295.20609	2.6
297.22043	4.3
299.20218	1.3
301.19293	1.0
303.21179	1.1
309.22128	1.2
331.24161	1.0
333.22055	1.1
345.21997	0.7
348.24066	0.9
349.25116	1.7
352.23886	1.6
357.25763	2.4
365.24692	2.2
375.26901	4.6
385.28964	1.3
403.25204	1.1
403.29971	9.3
420.64105	0.7
503.34967	4.2
509.34323	2.4
547.39105	3.1
565.31500	1.4
565.40350	25.7
566.40625	1.7
583.41370	100.0
584.42010	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11655	1.8
53.03935	5.9
55.01858	2.0
55.05501	19.1
57.07068	11.8
58.94155	1.6
59.04993	4.3
65.03932	4.3
67.05497	29.3
69.03412	8.2
69.07057	20.8
69.69918	9.2
69.70334	2.9
79.05482	32.1
81.07050	37.8
81.43149	1.6
83.04981	9.7
83.08607	10.9
85.06536	8.5
91.05472	51.5
92.57835	1.7
93.07036	65.2
95.04947	16.3
95.08591	39.5
97.06506	7.4
103.05457	6.4
105.04510	2.4
105.07017	93.4
107.04921	1.8
107.08582	51.1
109.06501	14.8
109.10146	23.6
111.08051	2.8
115.05448	7.4
116.06238	3.9
117.07005	24.5
119.08568	100.0
121.06483	7.1
121.10126	50.4
123.08040	16.5
123.11694	5.9
125.05978	2.9
125.09598	2.9
128.06165	17.1
129.06985	21.3
130.07765	7.9
131.08562	38.0
132.09372	2.2
133.06445	5.5
133.10107	42.4
135.08029	14.1
135.11650	13.7
137.09598	11.9
139.11168	2.9
141.06978	11.4
142.07755	34.0
143.08548	53.3
144.09346	8.9
145.06470	2.4
145.10109	57.0
146.10393	2.2
147.08028	16.6
147.11676	17.5
149.09619	7.5
149.13232	3.7
151.07504	17.5
151.11150	2.5
153.06964	5.7
154.07750	4.8
155.08524	22.2
156.09337	25.9
157.10112	61.6
158.10866	10.6
159.08051	4.9
159.11670	30.7
161.09641	6.6
161.13284	11.0
163.11159	7.9
165.07016	8.5
165.09097	25.0
166.07788	5.8
167.08585	12.0
167.10657	17.0
168.09352	12.5
169.10104	36.1
170.10857	13.5
171.08165	2.3
171.11661	34.9
172.12419	2.0
173.09598	3.3
173.13243	28.4
175.11189	4.8
175.14806	13.7
178.07710	3.3
179.08539	20.4
180.09271	8.4
181.10101	24.0
181.12202	5.7
182.10913	11.0
183.11665	34.2
184.12430	5.5
185.09602	3.3
185.13257	19.1
187.11183	3.7
187.14778	6.0
189.12720	5.9
191.08449	3.0
191.14294	10.0
192.09296	5.1
193.10118	22.3
194.10860	16.1
195.11647	30.5
196.12369	5.5
197.13234	24.6
198.13916	3.2
199.11255	2.6
199.14787	18.4
201.12762	4.1
201.16388	2.4
203.08504	2.8
203.14302	10.0
204.09404	2.0
205.10150	7.5
206.10890	12.5
207.11687	25.7
207.13779	10.7
208.12431	11.4
209.13237	30.8
209.15201	2.3
210.13965	5.4
211.14784	13.6
213.12787	2.0
213.16290	3.3
217.10056	5.6
217.15852	12.4
218.10884	2.5
219.11607	11.1
220.12508	8.2
221.13228	17.7
221.15381	52.0
222.13907	3.6
223.14792	17.6
224.15587	3.3
225.12761	1.8
225.16377	4.9
227.14265	3.2
229.10120	2.3
229.15814	3.4
230.10947	2.3
231.11674	7.4
231.17393	2.4
232.12398	7.6
233.13222	13.9
233.15388	6.2
234.14037	5.4
235.14789	13.8
236.15411	4.2
237.16389	9.4
239.14354	2.7
239.17967	4.3
243.11716	3.4
244.12462	2.3
245.13274	10.5
246.14040	6.1
247.14771	12.5
247.16997	2.5
248.15495	3.5
249.16380	11.5
250.17087	2.1
251.17952	7.3
255.17345	2.2
256.12405	1.8
257.13162	3.6
257.18970	9.9
258.14017	2.6
259.14758	6.8
260.15552	5.4
261.16373	12.1
262.17123	4.4
263.17969	8.8
265.15814	2.8
265.19354	8.6
267.17407	2.8
269.18918	2.9
271.14825	2.5
272.15506	3.4
273.16321	6.4
275.17865	13.0
277.19467	4.8
281.13751	1.9
281.19159	3.7
283.14835	2.0
283.20508	17.1
285.16141	2.3
287.20230	3.6
289.19443	4.3
293.18774	2.2
295.20453	2.7
297.21893	3.0
300.20755	2.4
301.19232	3.7
303.21033	2.6
307.20599	2.4
309.16754	2.4
309.21924	2.6
310.88110	1.9
315.21027	2.4
329.22668	3.4
331.24155	6.9
334.21902	1.8
335.23602	2.9
349.25281	11.1
375.26797	5.7
403.29883	4.4
427.29678	2.1
491.35214	5.9
503.35117	4.8
547.39172	4.7
565.40448	17.6
566.40863	2.3
583.41357	80.1
584.41559	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	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03925	2.9
55.05501	11.1
55.56256	1.2
57.07069	7.2
59.04990	3.5
63.46878	1.1
65.03915	2.9
67.05492	16.8
68.92107	1.6
69.03412	5.1
69.07060	17.0
69.55230	1.8
69.55569	11.5
79.05487	18.1
81.07039	22.7
83.04972	5.8
83.08597	7.4
85.06530	3.3
90.84801	1.3
91.05467	30.6
93.07027	44.1
95.04942	12.2
95.08591	29.0
97.06516	4.9
97.10123	1.4
103.05456	4.1
105.06303	2.9
105.07009	51.4
107.08575	39.3
109.06506	9.6
109.10138	17.6
111.08067	2.5
115.05438	1.9
116.06242	1.9
117.06986	10.5
118.07736	1.5
119.08556	59.9
121.06511	4.9
121.10117	44.5
123.08044	13.5
123.11697	4.8
125.06000	2.0
125.09616	3.3
128.06187	8.6
129.06981	13.3
130.07774	6.9
131.08548	28.0
133.06474	2.3
133.10117	29.0
135.08029	6.3
135.11658	12.3
137.09563	7.9
139.11125	2.3
141.06978	6.7
142.07755	19.0
143.08546	32.4
144.09325	5.2
145.10106	37.6
145.11244	2.0
147.08043	8.1
147.11687	12.3
149.09615	8.0
149.13249	3.9
151.07524	12.3
151.11234	1.7
152.06226	1.5
153.06952	2.6
154.07677	1.6
155.08513	11.9
155.10588	2.8
156.09302	15.1
157.10095	40.8
158.10876	5.7
159.08064	4.7
159.11661	22.4
161.09601	4.9
161.13255	4.9
163.11159	6.0
165.06979	5.5
165.09100	13.7
166.07739	3.0
167.08548	8.5
167.10643	23.3
168.09328	5.4
169.10098	21.2
170.10921	8.6
171.11652	20.3
172.12260	1.3
173.09567	3.5
173.13225	21.5
175.11137	2.1
175.14769	7.7
178.07680	2.2
179.08505	10.3
180.09271	3.8
181.10059	11.4
181.12234	5.5
182.10864	6.3
183.11662	21.0
184.12415	3.5
185.13226	12.3
187.11089	2.1
187.14743	7.0
189.12724	5.4
191.08578	1.3
191.14255	7.2
192.09311	4.5
193.10089	13.3
194.10895	9.0
195.11662	17.0
196.12456	6.7
197.09769	1.3
197.13246	18.3
198.13914	2.1
199.11090	1.8
199.14778	12.1
201.16411	4.2
203.14221	7.2
204.09344	1.8
205.10089	3.8
206.10896	5.3
207.11671	12.8
207.13791	7.1
208.12427	5.4
209.13217	23.7
209.15086	1.8
210.13965	1.6
211.11026	1.8
211.14761	9.7
213.12679	2.2
213.16336	3.2
215.14265	3.8
217.10094	3.4
217.15837	8.0
218.10934	1.8
219.11673	6.6
220.12521	5.1
221.13229	14.3
221.15384	27.5
222.14029	3.8
223.11343	1.8
223.14799	11.1
224.15521	1.8
225.16342	6.2
227.14264	2.3
229.10236	2.0
229.15843	3.3
231.11655	2.9
231.17520	1.5
232.12535	2.8
233.13190	8.1
233.15390	9.2
234.13943	3.6
235.14717	9.5
237.16422	7.7
239.14264	1.9
239.17935	3.0
241.16037	1.9
243.11707	2.1
244.12477	2.5
245.13271	4.8
246.14087	4.5
247.14772	7.1
247.17053	1.8
248.15527	1.7
249.12776	1.5
249.16396	6.6
251.17888	4.0
253.19443	1.9
255.17514	2.1
257.13287	3.5
257.18921	3.8
258.14178	1.9
259.14752	5.1
260.15613	3.5
261.16321	7.1
263.18002	6.1
265.19345	6.2
267.17572	1.8
269.13135	1.5
269.18793	6.3
271.14633	2.3
271.20578	1.9
273.16266	4.3
275.17819	9.6
277.19540	3.9
279.20963	1.8
281.19061	2.1
283.20508	12.0
287.17654	2.1
287.20401	2.2
288.18707	1.6
289.19470	3.9
291.21207	1.8
293.18887	1.8
295.20465	3.1
297.22150	1.9
299.20242	2.3
301.19342	2.2
308.81360	1.5
309.22046	1.8
317.22614	2.0
319.20560	1.5
327.20639	1.7
331.24243	2.2
333.22006	1.8
335.23709	2.8
347.23715	2.3
349.25302	6.4
375.26758	3.2
403.30099	3.0
491.34781	2.2
507.36163	1.6
509.34210	2.2
547.39197	4.1
565.40369	20.7
566.40717	2.2
582.00018	1.2
583.41345	100.0
584.41858	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	583.414
Annotation	Pectenol A/ (Pectenol)
Peak:m/z	Relative Intensity
50.72255	1.2
52.88768	1.0
53.03938	2.1
55.01876	1.3
55.05506	6.1
57.07061	5.7
59.04991	1.9
67.05502	9.7
69.03411	5.9
69.07059	5.0
78.07275	1.3
79.05480	10.7
81.07051	16.7
83.04964	2.6
83.08590	3.2
85.06540	2.8
91.05469	14.5
93.07037	25.4
95.04952	5.4
95.08598	20.7
97.06517	1.4
97.10136	1.8
98.21486	3.8
105.07014	28.3
107.04975	1.4
107.08586	14.6
109.06528	4.0
109.10154	7.6
117.06995	5.6
119.08565	25.8
119.09348	2.1
121.06510	3.7
121.10128	19.1
123.08051	10.9
123.11684	1.7
128.06215	1.8
129.07027	3.4
130.07819	1.9
131.08524	10.5
132.57680	1.1
133.06480	2.1
133.10110	17.0
135.08054	5.5
135.11696	4.9
137.09578	8.2
141.06982	2.1
142.07745	6.7
143.08543	10.6
144.09280	1.4
145.10104	19.1
147.08043	14.3
147.11678	5.1
149.09598	4.7
149.13266	1.9
151.07515	12.9
155.08539	5.2
156.09299	6.6
157.10115	22.0
158.10863	2.2
159.08119	1.5
159.11682	12.2
161.09558	3.1
161.13217	3.8
163.11172	3.7
165.09088	31.8
167.08569	3.2
168.09387	1.8
168.70763	1.2
169.10127	8.2
169.11336	1.2
170.10889	2.4
171.11691	13.1
173.09647	1.7
173.13303	7.8
175.14847	4.1
177.09079	1.2
179.08525	3.2
180.09305	2.5
181.10152	4.6
181.12267	2.7
182.10893	3.3
183.11667	8.8
185.13304	9.8
187.11171	1.4
187.14853	2.4
189.12727	5.2
191.14395	2.1
192.09476	1.5
193.10130	3.2
194.10931	4.0
195.11682	7.6
196.12505	3.4
197.13213	8.2
199.14836	4.8
201.16533	1.5
203.14293	12.5
206.10994	2.1
207.11745	6.1
207.13818	5.7
208.12495	2.9
209.13306	7.8
209.15205	1.7
211.14832	5.2
213.16446	1.6
219.11749	2.4
220.12518	1.4
221.13261	4.8
221.15315	50.9
223.14873	5.1
225.12808	1.3
225.16367	2.4
227.14305	1.5
229.15738	1.4
231.17456	2.2
233.13246	2.2
233.15552	1.4
235.14848	4.5
237.16414	2.5
239.13976	1.5
239.18018	2.2
241.16046	1.4
245.13252	1.5
247.14761	2.1
247.17024	1.5
249.16405	2.5
251.17860	1.6
253.19572	1.3
259.14883	2.2
261.16458	2.3
263.17969	1.8
265.19583	2.2
269.19083	1.6
271.20438	2.0
273.18521	2.8
275.20288	2.1
277.19562	1.7
279.20929	1.6
281.18921	1.8
283.20581	3.5
286.19360	1.4
287.20206	2.8
295.20651	2.3
297.22104	3.4
299.20056	2.0
349.25412	1.6
365.24902	1.9
375.26770	4.2
396.83975	1.2
403.30099	7.9
503.35202	4.7
509.34183	1.9
545.30188	1.3
547.39240	2.7
565.40363	22.7
583.41357	100.0
584.41919	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.3
57.07074	11.2
59.04982	4.7
59.16883	2.4
62.64864	2.1
65.03929	2.4
67.05499	30.3
68.39528	2.1
69.03413	9.2
69.07061	21.5
70.43986	2.4
70.44321	9.0
79.05486	28.9
81.07048	36.5
83.04971	10.9
83.08617	11.5
85.06512	6.0
91.05471	56.6
92.10236	2.2
93.07034	64.4
95.04967	16.2
95.08597	35.2
97.06507	8.3
103.05450	3.9
105.07018	87.2
107.04945	4.2
107.08586	60.1
109.06518	11.6
109.10148	30.7
111.08017	3.7
115.05466	5.2
116.06163	2.4
117.06989	21.3
119.08566	100.0
121.06504	5.4
121.10134	58.8
123.08059	15.9
123.11724	7.8
125.05957	4.8
125.09636	5.7
128.06213	13.5
129.06981	21.8
130.07764	8.8
131.08539	39.6
133.06427	3.9
133.10120	52.4
135.08046	8.7
135.11674	20.1
137.09592	14.8
139.11237	3.5
141.06987	8.8
142.07764	27.3
143.08546	48.6
144.09357	8.5
145.06482	2.6
145.10110	67.7
147.07997	12.9
147.11661	16.7
149.09625	8.1
149.13300	4.5
151.07535	13.0
153.06958	4.6
154.07809	5.3
155.08545	23.0
156.09354	24.6
157.10121	63.0
158.10904	11.4
159.07994	7.3
159.11661	30.8
161.09624	9.5
161.13281	9.6
163.11147	9.7
165.06984	8.1
165.09102	31.9
166.07799	5.8
167.08545	11.4
167.10655	15.7
168.09341	11.1
169.10132	35.1
170.10909	15.3
171.11676	38.0
173.09631	4.8
173.13242	27.5
175.11162	6.1
175.14796	11.7
175.65851	2.4
179.08574	16.6
180.09291	8.7
181.10097	17.0
181.12218	8.2
182.10909	12.0
183.08156	2.7
183.11668	39.3
184.12448	7.9
185.09598	2.8
185.13266	23.7
187.14793	8.6
189.12698	7.3
189.16479	2.7
191.14284	13.8
192.09305	5.9
193.10126	17.7
194.10893	16.0
195.11678	27.4
196.12418	7.7
197.13255	27.0
199.11255	3.8
199.14809	23.4
201.12695	2.8
201.16359	4.1
203.14351	12.0
205.10155	3.3
206.10924	10.1
207.11687	23.0
207.13809	8.3
208.12431	9.5
209.13231	37.4
209.15234	1.6
210.14014	3.1
211.14795	14.5
213.16344	7.3
213.18335	2.2
215.08600	2.4
215.14325	2.8
217.10176	4.0
217.15891	16.6
217.28299	2.1
219.11652	11.5
220.12471	8.3
221.13228	22.6
221.15385	52.7
222.14032	4.1
223.11272	2.8
223.14792	17.5
225.12801	2.4
225.16293	4.9
227.14336	4.4
230.10809	3.3
231.11711	8.6
232.12592	6.0
233.13255	15.0
233.15396	8.6
234.13902	3.1
235.14752	14.8
237.16385	11.1
239.17934	4.1
243.11711	4.2
244.12608	4.2
245.13286	8.9
246.13962	4.7
247.14786	11.6
247.17010	4.3
248.15544	4.5
249.16350	13.5
250.17055	2.7
251.17943	6.6
253.15993	2.7
253.19655	2.5
255.17404	3.5
257.13263	3.2
257.19006	10.8
258.13968	4.1
259.14819	6.5
260.15561	8.3
261.16382	10.5
263.14590	2.1
263.18008	8.2
265.19397	11.3
267.17361	2.5
269.13342	3.1
269.19012	4.7
271.14832	3.7
271.20413	3.3
272.15613	4.9
273.16211	4.7
273.18805	4.0
274.17059	3.9
275.17764	14.5
277.19559	5.4
283.15115	3.4
283.20563	25.0
287.17596	3.3
287.20343	3.8
289.19543	5.6
295.20499	4.3
297.22098	4.7
300.20865	3.9
303.21054	3.9
317.22537	3.9
319.20651	2.4
331.24234	9.1
333.22028	3.1
335.23389	3.5
343.24170	2.8
347.23709	2.6
349.25244	11.5
357.25766	2.7
366.08997	2.4
375.26804	4.0
403.29828	3.7
491.35217	6.4
547.38953	4.1
565.40472	23.7
583.41357	88.7
584.41919	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96422	1.4
53.03930	3.9
55.05289	1.5
55.05508	16.3
57.03462	1.4
57.07067	9.1
57.47292	1.5
59.04979	2.9
65.03935	3.4
67.05495	25.9
67.24815	1.3
69.03424	9.8
69.07057	20.5
71.04948	1.9
71.62867	2.3
77.03934	1.8
79.05484	32.8
81.07047	42.3
83.04979	7.3
83.08610	11.6
85.06535	8.1
87.04468	2.6
89.06015	2.0
91.05468	44.9
93.07030	58.2
95.04953	16.0
95.08592	39.2
97.06527	8.0
97.10174	3.3
99.08081	1.7
103.05448	3.8
105.07014	73.8
107.04969	2.4
107.08579	49.5
109.06496	10.8
109.10142	23.3
111.08062	4.8
111.11690	2.0
113.09618	2.0
115.05466	6.4
116.06166	2.5
117.06999	17.0
119.08567	88.9
121.06447	7.1
121.10124	58.8
123.08070	15.0
123.11703	7.3
125.05960	2.1
125.09644	5.0
128.06206	10.9
129.06979	19.2
130.07777	6.6
131.08549	38.3
133.06480	3.3
133.08586	2.7
133.10114	47.9
135.08037	10.8
135.11673	19.5
137.09618	11.1
139.11160	2.4
141.06975	7.4
142.07736	23.8
143.08548	41.5
144.09300	5.5
145.06412	1.6
145.10104	60.7
147.08031	11.2
147.11671	23.0
149.09615	9.6
149.13235	4.6
151.07587	7.2
151.11154	1.6
153.06975	5.0
154.07735	4.0
155.08527	19.7
155.10577	3.6
156.09326	19.5
157.10109	55.1
158.10883	6.3
159.08044	5.5
159.11671	33.7
161.09595	8.7
161.13205	7.1
163.11139	8.8
165.06958	6.9
165.09041	12.0
165.12836	2.0
166.07828	1.8
167.08591	11.0
167.10651	41.5
168.09325	7.7
169.10092	27.4
170.10905	9.8
171.11659	31.5
172.12347	2.4
173.09608	5.4
173.13240	30.0
173.14668	2.7
175.11200	5.8
175.14803	12.1
177.09195	2.7
177.12784	2.1
179.08536	14.4
180.09311	4.8
181.10129	16.5
181.12178	5.7
182.10912	8.4
183.11661	27.4
184.12498	7.9
185.09578	1.7
185.13220	17.9
187.11179	3.8
187.14832	10.2
189.12756	6.4
189.16318	2.2
191.08650	1.8
191.14272	8.7
192.09366	5.4
193.10100	13.5
194.10838	11.2
195.11662	26.2
196.12434	4.8
197.13237	22.8
199.11169	3.3
199.14809	24.3
201.12749	3.2
201.16446	5.4
203.08414	1.6
203.14275	9.2
204.09319	2.2
205.10101	4.1
205.15956	2.8
206.10939	7.7
207.11705	17.6
207.13794	5.9
208.12494	7.4
209.13248	26.5
209.15205	1.5
210.13960	3.5
211.11188	3.0
211.14793	13.9
213.12790	3.1
213.16367	3.0
215.14302	5.1
217.10162	2.0
217.15916	19.5
218.10948	3.4
219.11659	10.4
219.17561	2.1
220.12503	6.4
221.13245	17.0
221.15399	26.3
222.13974	3.6
223.14810	15.9
225.12714	2.5
225.16434	6.6
227.14299	4.3
229.10150	2.4
230.10974	3.2
231.11661	6.2
232.12482	5.5
233.13216	12.6
233.15408	16.0
234.13922	3.4
235.14758	13.6
235.16745	2.0
237.16339	10.9
239.14371	2.1
239.17982	6.3
241.19547	1.6
243.11693	3.2
243.17366	2.0
244.12437	2.9
245.13292	6.3
246.14063	5.7
247.14824	10.1
247.16988	2.4
248.15588	4.9
249.16330	11.6
250.17000	1.6
251.17943	5.8
253.16008	2.1
255.17351	2.5
257.13147	3.0
257.18985	7.9
258.13809	1.7
259.14767	5.7
260.15610	5.5
261.16287	9.2
262.17197	2.7
263.18015	7.2
265.16138	1.5
265.19449	7.3
269.19025	6.3
271.14859	2.8
271.20688	2.4
272.15472	2.1
273.16370	4.9
273.18817	3.2
274.17200	2.6
275.17758	10.1
277.19507	5.4
279.21124	2.3
281.19073	4.1
283.20593	13.8
285.18707	2.2
287.17709	1.8
289.19366	6.9
290.20309	1.8
295.20267	2.7
300.21109	2.2
303.20834	2.0
309.22095	2.4
319.20520	1.7
331.20645	1.8
331.24216	6.1
335.23795	2.5
343.24124	2.8
347.23721	1.6
349.25266	5.9
359.23779	1.8
361.25095	2.9
365.24753	2.1
375.26950	3.9
401.28220	2.1
403.29910	1.9
491.34998	5.1
503.35269	2.3
509.33881	1.8
527.56134	1.6
547.39331	4.2
565.40277	20.6
583.41315	100.0
584.41614	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79871	2.0
53.03935	4.1
55.05504	22.0
57.07067	6.2
59.05004	2.4
65.03941	2.5
67.05496	29.1
69.03423	7.1
69.07063	18.7
69.89583	2.2
69.89893	13.5
71.04972	3.4
79.05481	22.0
81.03401	4.0
81.07048	34.1
83.04969	13.9
83.08611	23.3
85.02910	4.7
85.06534	6.7
91.05468	39.8
93.07030	45.7
95.04960	15.7
95.08590	34.7
97.06531	21.4
97.10156	3.7
99.04457	5.3
105.07015	61.6
107.04954	4.1
107.08575	48.6
109.06497	12.4
109.10134	23.9
111.04428	2.3
111.08078	5.6
111.11728	2.5
113.06034	2.3
113.08947	2.3
113.09659	7.0
115.05459	3.5
116.06177	2.4
117.06994	12.6
119.08561	64.9
121.06498	2.7
121.10132	49.1
123.08048	14.9
123.08794	2.3
123.11718	9.4
125.05958	3.2
125.09645	7.9
128.06242	9.9
129.06993	14.9
130.07768	4.2
131.08572	25.3
133.10117	40.0
135.04381	3.1
135.08018	6.4
135.11693	17.6
137.09608	7.3
139.11192	7.3
140.44144	2.3
141.06989	5.9
142.07761	16.9
143.08554	38.0
144.09360	5.4
145.10100	50.0
147.08058	5.6
147.11691	23.3
149.09618	8.0
149.13257	6.4
151.07585	5.3
153.07031	4.6
155.08597	14.1
155.10614	11.3
156.09315	17.2
157.10115	50.3
158.10870	6.1
159.08075	4.8
159.11664	24.8
161.09619	5.4
161.13275	5.7
163.11147	6.1
165.07074	6.5
165.09157	6.6
167.08549	11.6
167.10626	13.1
168.09377	7.1
169.10101	25.2
170.10808	3.1
171.11664	32.1
173.09665	3.3
173.13216	26.9
175.11316	2.8
175.14815	11.7
176.57124	2.1
177.12709	2.4
179.08574	12.4
179.14351	5.9
180.09361	6.5
181.10127	13.5
181.12213	19.9
182.10921	8.4
183.11708	26.3
183.13306	3.2
184.12361	5.8
185.04445	3.1
185.13274	21.0
187.14812	6.3
189.11153	3.0
189.12743	5.3
191.14307	8.6
192.09340	4.2
193.10081	13.0
194.10864	9.8
195.11696	18.3
195.13531	3.6
196.12462	7.3
197.13252	31.5
199.14848	15.7
201.16402	3.7
203.14348	4.8
204.09332	2.1
205.10202	3.0
206.10931	8.4
207.11705	13.9
207.13609	4.2
208.12480	7.7
209.13213	24.8
210.14008	3.8
211.14838	12.5
213.12784	2.6
213.16357	6.9
215.12454	2.5
215.14430	4.5
217.10143	2.4
217.15895	4.8
218.10910	3.6
219.11899	4.7
220.12502	5.7
221.13239	16.0
221.15417	31.2
222.14041	4.3
223.14816	10.3
225.14696	23.6
225.16832	3.0
227.18120	3.0
229.15886	3.2
231.11703	6.2
232.12555	3.7
233.13199	10.4
233.15410	19.1
234.13989	2.8
235.14880	6.2
236.15590	3.6
237.16463	7.5
239.17799	5.0
241.19627	3.1
243.11728	3.2
245.13295	6.7
246.14014	6.2
246.41406	2.5
247.14801	8.1
247.17009	2.9
248.15659	4.2
249.16463	10.1
251.17981	8.8
253.19427	3.4
257.13303	4.1
257.19077	6.1
259.14819	6.6
260.15662	3.1
261.16428	8.4
263.17972	6.7
265.19589	9.0
271.14902	3.4
273.16248	5.2
274.16946	3.2
275.17877	6.1
275.20380	4.0
277.19449	11.2
278.25818	2.2
278.46503	2.5
279.21146	6.2
281.19073	2.5
283.20609	9.2
287.17816	4.1
289.19595	7.3
295.20642	6.1
297.22217	5.1
297.57645	2.3
299.20493	2.5
301.19339	4.1
309.22031	3.5
315.21143	2.9
317.22684	2.6
329.22491	3.0
331.24261	2.7
335.24435	2.7
341.22476	3.7
343.24133	8.0
345.25845	3.6
347.17236	5.3
347.23807	3.6
349.25232	6.7
357.25787	3.7
361.25079	2.9
363.26801	6.2
365.24890	3.9
397.28891	8.1
415.30130	4.8
448.15921	2.3
460.15924	2.5
473.34018	2.6
491.35156	5.2
509.34024	3.3
547.39288	4.1
565.40375	37.0
566.40588	2.4
583.16028	9.1
583.41357	100.0
584.41315	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	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48404	1.9
53.60930	1.8
55.05502	9.4
57.07063	12.6
59.04987	2.9
65.03925	2.1
67.05498	14.2
69.03403	3.8
69.07063	10.3
69.65905	5.4
69.66322	10.4
79.05487	14.2
81.07044	23.2
83.04965	3.2
83.08608	6.3
85.06498	2.8
89.06025	3.1
91.05478	24.5
93.07034	35.2
94.07355	2.3
95.04942	7.5
95.08591	21.2
97.06485	2.3
98.20742	3.9
103.05466	2.7
104.01374	1.9
105.06371	3.6
105.07021	43.6
107.08574	28.8
109.06467	3.9
109.10133	11.5
109.10728	1.8
115.05389	2.9
117.06986	13.6
119.08565	70.2
121.06473	2.4
121.10136	22.6
123.08018	9.6
123.11681	3.4
125.05956	2.8
128.06186	6.3
129.06966	11.0
130.07751	4.2
131.08536	26.2
133.06483	3.3
133.08563	3.6
133.10109	33.5
135.08070	11.9
135.11676	11.3
137.05807	2.4
137.09590	8.3
141.06956	4.9
142.07747	11.6
143.08560	30.7
144.09303	7.7
145.09004	3.8
145.10106	43.9
147.08034	14.0
147.11693	11.0
149.09665	3.9
151.07529	4.7
151.11208	2.4
155.08542	10.1
156.09302	12.1
157.10104	46.8
158.10823	6.3
159.08054	4.6
159.11668	25.5
161.09598	7.1
161.13245	5.2
163.11142	8.9
165.07004	3.8
165.09106	25.8
167.08572	4.6
168.09340	3.6
169.10089	16.4
170.10832	5.8
171.11658	27.5
172.12444	2.5
173.09645	3.4
173.13251	17.3
175.11198	11.6
175.14771	8.1
177.12753	4.0
179.08504	4.9
180.09198	3.5
181.10162	9.2
181.12183	6.9
182.10890	5.7
183.08035	2.2
183.11649	16.9
184.12260	2.6
185.13225	16.8
187.14801	8.4
189.12755	5.0
190.13527	5.3
191.10622	3.5
191.14281	2.8
193.10162	5.1
193.12201	6.6
194.10876	4.4
195.11690	11.5
195.13359	2.4
196.12485	4.1
197.13210	14.7
198.13995	2.6
199.11137	4.6
199.14771	5.6
201.12682	3.3
201.16359	3.9
203.14261	15.0
205.10072	3.4
206.10938	2.8
207.11638	6.4
207.13747	6.7
208.12306	4.6
208.14490	3.5
209.13261	11.3
211.11200	2.6
211.14764	6.8
213.16324	2.1
215.14241	2.0
217.15692	3.1
219.11679	3.0
221.13252	5.4
221.15327	40.1
222.13901	3.4
223.14810	10.6
225.16280	7.7
233.13239	4.7
234.16095	8.1
235.14793	4.7
237.12610	4.1
237.16280	4.5
239.17891	2.6
247.14685	3.2
247.16914	8.0
249.16388	4.6
251.17851	3.0
252.05563	2.2
253.15680	2.7
253.19624	3.2
259.17014	2.5
259.20660	2.2
261.16202	3.2
263.17926	4.0
265.19467	2.5
277.19373	2.3
281.18982	2.4
283.20660	2.3
286.19150	3.6
287.20081	3.7
297.18390	2.1
299.19974	7.8
300.20889	2.5
300.28900	3.7
311.29288	5.9
312.20709	2.3
319.20480	3.6
325.21548	8.2
336.20901	2.5
337.21594	8.7
352.23932	55.4
365.24756	8.8
375.78491	2.1
377.39700	2.2
383.25732	3.0
397.27151	2.3
398.28329	4.7
404.30661	4.8
411.28568	3.1
412.29672	14.4
425.30511	2.4
431.29434	3.5
438.31131	14.9
453.32275	2.2
489.33188	3.4
491.35199	11.3
492.35492	9.0
504.35870	100.0
530.64160	2.0
584.42035	23.2
584.55951	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	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05490	5.2
57.07071	9.6
59.04984	1.4
65.03939	1.9
67.05500	11.7
69.03400	3.0
69.07063	8.9
70.95181	3.7
77.67107	1.2
79.05486	12.2
81.03419	1.4
81.07050	19.1
83.04982	2.3
83.08589	4.9
85.06509	5.2
89.06007	3.0
91.05465	23.2
93.07028	30.4
93.87496	1.2
95.04939	5.7
95.08600	20.0
97.06505	2.9
98.20982	1.7
105.07020	43.3
107.08588	24.8
109.06479	6.1
109.10141	14.3
115.05444	3.2
116.83303	1.4
117.07014	12.5
118.07858	2.1
119.04884	1.5
119.08569	58.9
121.06493	3.4
121.10127	16.7
123.08070	9.0
123.11721	3.1
125.05951	2.5
125.09627	2.5
128.06212	4.0
129.06955	7.3
130.07738	2.9
131.08548	28.6
132.09338	2.6
133.06451	3.0
133.08574	2.2
133.10121	27.7
135.08035	8.4
135.11700	9.6
137.05930	1.7
137.09589	7.1
137.28011	1.3
138.21490	1.2
139.07533	2.0
141.06985	4.3
142.07787	11.0
143.08545	22.8
144.09373	7.9
145.09026	2.8
145.10112	41.4
146.10797	2.1
147.08040	14.0
147.11714	12.6
149.09584	8.7
149.13210	2.1
151.07533	6.9
151.11206	2.4
153.07008	2.1
154.07744	1.8
155.08519	8.9
156.09322	10.4
157.08923	2.6
157.10126	34.8
158.10847	5.6
159.08025	3.3
159.11682	27.8
160.12405	1.6
161.09598	7.8
161.13237	6.9
163.11143	7.1
165.06981	2.2
165.09102	23.6
167.08525	4.3
168.09265	3.0
169.10117	17.0
170.10835	5.6
171.11685	25.4
172.12354	4.9
173.09599	2.2
173.13242	14.3
175.11234	8.4
175.14812	9.0
177.09166	1.6
177.12718	4.0
179.08511	3.6
180.09283	3.9
181.10144	10.0
181.12196	5.9
182.10834	4.3
183.11687	16.9
184.12392	2.4
185.13252	12.7
187.11174	3.4
187.14801	5.4
189.12691	6.7
190.13499	4.0
191.14404	1.6
192.09267	2.3
193.10115	5.9
193.12064	6.7
194.10915	4.3
195.11748	11.1
195.13527	2.5
196.12360	4.2
197.13239	14.8
198.10388	1.5
198.13919	3.1
199.11211	4.6
199.14818	5.5
201.12769	4.4
201.16322	2.9
203.14276	12.7
205.10025	1.6
206.10954	1.5
207.11644	6.2
207.13765	7.0
208.12465	3.2
208.14326	2.6
209.13252	10.5
210.13921	2.6
211.11143	3.6
211.14822	8.8
211.93181	1.3
212.15512	1.5
213.12669	2.9
213.16335	1.5
215.14224	2.7
217.15773	2.9
219.11723	3.1
219.13802	4.0
220.12393	2.3
221.13237	5.3
221.15314	46.2
222.13783	3.2
222.15715	3.4
223.14790	11.2
224.15363	1.9
225.12668	2.0
225.16313	4.0
227.14299	2.4
233.13202	3.5
233.15280	1.7
234.16075	6.2
235.14735	5.7
236.15437	2.5
237.12669	4.0
237.16403	4.5
239.14426	2.4
239.17906	3.1
241.15857	2.0
247.14729	2.4
247.16873	8.2
248.15382	1.6
249.16415	4.1
251.17944	3.2
253.15765	2.6
255.17419	2.5
259.17020	1.9
259.20428	1.6
263.17844	4.0
265.16049	1.5
265.19470	2.0
267.17377	2.2
271.17099	1.9
271.20605	3.1
277.19266	1.7
281.18945	3.9
283.20538	1.9
289.19406	1.7
296.21283	2.2
297.18692	2.2
297.22055	2.5
299.20090	9.1
304.18396	1.6
307.20630	1.7
309.18607	2.5
311.19916	2.9
311.29239	2.6
312.20862	2.3
313.21768	2.0
325.21652	9.8
337.21603	7.2
337.25211	1.5
352.23923	61.9
365.24634	12.1
376.27563	2.0
377.28427	1.7
378.25504	2.0
383.25732	2.1
391.26196	2.3
397.27322	2.6
398.28116	5.2
404.30740	4.4
411.28769	2.0
412.29645	13.2
425.30392	5.9
438.31274	13.3
474.34375	1.7
477.33881	1.8
489.33264	4.8
491.35242	11.1
492.35571	10.7
504.35944	100.0
505.36026	2.1
552.88782	1.5
566.41315	2.3
569.39240	1.7
584.42096	29.8
584.55908	7.8
585.42590	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	585.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55258	0.3
55.01854	0.3
57.03415	0.3
65.80306	0.2
67.01860	1.1
67.59216	0.2
68.99780	0.6
69.03429	1.4
70.06577	0.4
70.24309	0.4
70.24676	1.0
71.04972	0.2
75.04475	1.3
81.03408	0.3
81.07042	0.5
85.02889	0.8
86.09698	0.3
91.05461	0.6
93.07027	0.2
95.04934	0.4
97.02878	0.7
99.27966	0.2
105.07020	0.5
107.04940	0.6
107.08588	0.3
109.02890	0.3
117.07061	0.3
121.10165	0.3
123.11691	0.2
127.03889	0.3
128.06143	0.3
129.06961	0.8
130.07317	0.3
131.08543	1.0
132.08875	0.4
133.29285	0.2
137.03938	0.3
137.05965	0.8
139.05386	0.3
141.06979	0.5
145.06471	0.4
147.04414	0.4
151.03894	0.3
153.01811	54.2
155.04887	0.6
157.06505	0.4
159.08054	2.0
160.08401	0.7
161.06023	0.3
161.09570	0.7
163.07475	0.3
167.07022	0.9
171.02859	0.4
171.07938	0.4
173.05984	0.4
181.01306	4.0
183.04398	1.1
185.05963	0.3
187.03885	3.0
187.07454	1.5
188.07884	0.4
189.09064	0.7
195.04353	0.8
203.07018	0.4
204.07834	0.9
205.08272	0.5
211.03865	13.6
213.05493	0.6
215.03354	2.9
216.07713	0.4
219.10109	0.4
223.03838	0.6
229.04829	0.3
231.10135	0.6
233.11826	0.3
239.03365	19.8
240.03847	0.3
241.04895	1.8
249.01947	0.3
249.11201	16.6
250.11540	7.1
267.02856	35.9
267.12259	0.6
268.03409	0.4
269.04425	8.3
295.02341	100.0
296.02609	1.3
301.04938	0.5
327.12604	0.3
329.04456	0.9
347.05603	0.4
359.14923	1.1
385.03210	0.4
403.04425	9.5
421.05466	0.6
431.03986	1.7
449.04892	1.9
567.07672	2.7
585.28442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58588	0.2
52.30394	0.2
58.29084	0.2
67.01856	1.1
68.99778	0.7
69.03413	1.0
74.02776	0.2
81.03400	0.3
83.01324	0.2
85.02895	0.2
85.73837	0.2
92.99718	0.2
97.02873	0.7
105.07030	0.3
107.04877	0.2
110.07175	0.2
111.00794	0.2
125.02311	0.2
137.03905	0.2
137.05977	0.2
139.05385	0.2
145.06558	0.2
151.04135	0.2
153.01810	56.9
155.04901	0.5
167.04886	0.3
167.07007	0.3
171.02888	0.4
181.01292	4.2
183.04382	1.6
184.07294	0.2
185.05934	0.3
187.03897	4.1
193.02829	0.2
195.04416	0.7
197.02278	0.3
208.83931	0.2
211.03870	15.0
212.04433	0.3
213.05463	0.9
215.03360	3.7
223.03821	0.6
229.72041	0.2
239.03369	22.4
240.03963	0.3
241.04913	2.2
245.19173	0.2
249.11211	0.4
267.02853	39.6
268.03149	0.3
269.01489	0.3
269.04410	7.7
295.02341	100.0
296.02441	0.9
301.04901	0.8
319.05856	0.3
329.04373	0.6
347.05380	0.6
357.03799	0.3
361.03305	0.5
369.79694	0.2
375.04965	0.5
377.06317	0.2
385.03357	0.3
403.04437	9.8
421.05374	0.6
431.03775	1.9
449.04929	2.2
467.52084	0.3
553.07117	0.2
567.07703	2.7
567.16528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.45522	0.3
58.96854	0.2
67.05479	0.7
69.03434	0.4
69.07030	0.2
69.51003	2.4
70.06583	0.3
78.07964	0.2
79.05479	0.4
81.07042	0.7
82.92766	0.2
83.01080	0.8
84.01907	0.3
85.02898	0.7
91.05469	0.9
93.07045	0.3
95.01072	0.6
95.04929	0.3
95.52946	0.3
97.02898	0.4
103.68373	0.3
104.07191	0.3
105.07030	0.7
109.02863	0.4
109.10112	0.4
119.08582	0.5
121.02859	2.2
131.08560	0.5
133.10109	0.3
137.05974	0.5
139.03853	0.6
145.10139	0.2
153.01778	0.5
163.03831	0.3
165.09085	0.4
167.07013	0.9
184.03474	0.5
185.04204	1.0
193.08704	0.3
201.03716	0.9
203.05258	1.5
259.07803	1.8
295.02466	0.4
303.04901	2.6
318.00906	0.3
331.09970	2.3
349.19830	0.8
373.14273	0.3
387.16205	0.9
401.17990	0.4
405.22437	0.4
423.23438	1.6
457.20380	1.8
469.20517	0.6
471.21988	1.0
515.20941	0.8
585.28766	100.0
586.29089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51474	1.1
53.03933	4.0
55.01860	4.9
55.05506	18.5
57.07065	1.8
67.05499	20.9
69.07062	13.3
69.32355	6.6
69.32784	5.9
70.01863	1.5
71.04972	1.4
76.34445	1.1
79.05482	18.9
81.03412	3.9
81.07048	29.7
83.04977	6.9
83.08609	19.8
83.73215	1.2
85.06484	1.4
85.54461	1.2
91.05483	20.2
93.07033	22.0
95.04959	22.5
95.08598	20.3
97.06520	4.1
97.10154	3.8
99.08100	2.1
101.36297	1.2
103.31219	1.1
105.07019	23.6
107.04947	9.0
107.08586	15.5
109.06525	8.3
109.10117	6.9
111.08073	5.2
117.07008	10.2
119.08565	15.4
121.06503	5.7
121.10133	11.4
123.08067	5.6
123.11700	2.4
125.09617	3.8
129.06996	1.4
131.08559	11.3
133.06528	1.6
133.10120	14.7
135.08051	4.1
135.11667	7.2
137.09607	3.3
139.11139	1.6
141.07019	2.4
143.08525	2.9
145.06485	2.1
145.10109	13.2
147.08023	2.6
147.11697	11.6
149.09598	16.9
149.13254	2.1
151.11195	1.9
155.08572	3.6
157.10120	3.7
159.11714	6.5
161.09590	1.7
161.13251	3.4
163.11179	19.4
165.12721	2.4
169.10124	3.0
171.11682	2.8
173.09595	3.6
173.13190	6.2
175.11136	2.3
175.94836	1.2
177.12744	2.5
183.11653	3.2
187.11127	2.0
189.11229	2.7
189.12785	2.0
191.14311	3.9
197.13287	2.6
201.12790	2.9
201.16183	1.3
205.12309	1.5
210.10640	1.2
215.17845	1.5
223.13286	11.6
229.19485	3.2
239.17940	6.5
247.20584	2.1
257.18970	12.5
275.20044	100.0
293.21085	68.1
298.38565	1.2
298.84830	1.4
312.29266	1.3
439.32156	1.3
559.51312	1.4
567.40265	1.7
584.55774	2.2
585.41748	1.8
585.55835	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	585.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48526	6.0
55.05493	18.3
57.07048	7.7
67.05497	25.3
69.07049	29.0
71.61766	9.0
79.05482	39.1
81.07049	54.0
81.41195	5.8
83.08586	8.4
91.05483	40.4
93.07035	63.8
95.04950	19.5
95.08622	37.0
95.09132	7.0
96.70433	6.9
97.06535	6.9
97.37599	7.8
105.07025	85.0
107.08584	45.7
109.06535	8.3
109.10134	27.3
117.06985	14.3
119.08569	100.0
121.10129	69.6
123.08014	9.9
123.11681	16.5
128.06125	7.2
129.06961	12.6
130.07744	7.0
131.08551	29.8
133.10126	65.9
135.08000	7.2
135.11684	22.0
139.11140	7.9
142.07820	15.6
143.08531	24.4
144.09398	9.7
145.10118	72.1
147.11664	47.2
149.09529	12.1
151.11171	6.6
155.08543	13.3
156.09233	6.6
157.10081	43.4
158.10852	7.2
159.11685	33.9
161.13208	7.6
163.11143	9.4
167.10663	45.5
169.10101	20.1
171.11690	29.8
173.13231	28.7
175.14789	24.3
178.21255	6.5
181.10175	15.1
181.12244	6.5
183.11601	15.7
184.95845	6.3
185.13231	17.1
187.14742	13.5
193.10117	8.4
194.10963	7.5
195.11652	11.4
197.13277	18.0
199.14798	11.2
201.16331	13.1
207.11647	14.5
209.13219	16.3
211.14801	15.1
213.16496	8.6
216.40822	7.5
220.12646	6.0
221.13292	9.2
221.15320	16.8
223.14908	6.4
318.83188	6.1
391.96732	6.7
398.84601	8.4
549.41504	6.7
567.41461	9.2
585.43982	32.9
585.56177	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	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01859	2.1
55.43010	0.9
58.73617	1.0
64.02035	0.8
65.03930	1.9
67.05507	1.5
69.03423	2.0
70.06584	2.5
70.13792	0.8
71.04962	1.4
71.60730	1.1
71.61184	0.9
75.04463	3.7
78.04721	2.1
79.05494	1.9
81.03415	1.4
81.07053	1.3
81.71865	1.0
85.02901	7.4
86.09693	1.4
87.02737	0.8
89.05993	0.9
91.05483	11.2
93.03384	8.3
93.07039	4.9
95.04955	5.5
95.08607	1.8
95.37196	0.8
97.02874	1.5
97.06513	1.9
98.97552	1.3
99.08096	4.3
103.05450	6.8
105.07028	5.0
106.04160	21.8
106.04854	1.6
107.04953	1.0
107.08562	2.1
109.06573	1.0
109.10147	1.1
111.04435	1.2
116.98596	1.3
119.04938	2.6
119.08555	1.1
121.06501	24.3
123.04394	1.2
123.08025	1.1
123.43968	1.0
125.05958	5.7
127.03928	1.6
131.04924	2.8
133.02843	4.0
133.06494	3.9
134.03618	4.0
134.99786	1.0
135.11659	1.5
137.05956	6.1
139.03975	0.8
139.07509	2.4
145.02852	0.9
147.04362	4.6
148.05180	2.5
149.05965	39.9
151.07526	2.3
152.08278	0.9
153.09070	11.7
161.05998	9.0
163.03976	1.4
163.07506	4.5
163.11203	1.0
165.05540	1.7
166.06206	1.1
167.07108	1.8
175.07632	1.0
177.05466	16.8
177.09070	1.3
179.07040	1.6
181.08575	18.1
191.06989	12.9
193.08632	7.6
193.15874	2.9
209.08072	100.0
213.13132	0.9
219.01701	1.1
227.12711	2.0
234.97549	0.9
241.09799	1.8
297.03915	1.2
301.12048	1.3
313.11853	1.1
329.11234	1.8
341.14001	1.0
378.77029	1.0
390.69519	1.3
391.11612	1.8
429.18008	1.3
432.77869	1.2
434.07660	1.3
454.52371	1.1
536.16510	1.4
568.19141	1.2
576.55652	1.0
586.20374	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	587.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15816	3.6
92.55145	0.6
94.99270	0.8
94.99837	2.0
101.00874	4.1
112.89583	0.7
113.00893	0.8
119.01915	15.9
131.01881	7.0
135.08488	0.9
137.02927	3.2
143.01886	11.7
145.03433	4.7
147.01389	1.1
149.03011	1.7
153.84776	0.7
155.01881	46.9
157.03462	4.6
161.02930	16.0
167.01892	1.5
169.03455	5.7
171.05034	1.0
173.02954	100.0
174.03117	1.5
175.04581	1.7
179.01836	0.8
181.03293	0.9
185.02939	18.8
187.04533	7.4
191.04095	1.0
192.22018	0.6
196.04539	2.6
197.02936	3.8
199.04556	1.4
203.04013	8.1
209.02908	2.2
215.03972	9.2
221.05000	1.7
227.04033	2.6
233.05064	0.8
239.04089	1.7
245.05064	43.4
246.05305	0.8
257.04971	5.1
263.06094	6.7
269.04947	1.5
275.06082	9.7
281.04858	0.8
287.06131	1.6
293.07159	18.9
305.07162	36.6
316.08658	0.7
321.05786	0.7
323.08218	2.6
329.07169	1.8
335.08289	7.4
347.04111	1.3
347.08234	18.6
365.09271	35.2
383.10382	3.7
389.09274	2.0
407.10339	27.3
419.10269	2.6
437.11588	3.6
467.12341	0.9
527.14563	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	587.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93109	1.2
56.96561	7.0
58.45678	1.1
59.75710	1.3
60.75095	1.1
66.49027	1.2
69.03405	1.5
70.82375	1.2
71.63220	2.7
72.45238	1.2
82.99855	1.9
84.96032	2.9
85.02883	4.6
94.99858	1.6
97.02879	3.4
98.97567	26.1
101.00859	4.9
110.97552	5.0
116.98605	17.9
119.01911	18.8
120.33820	1.4
127.03850	2.7
128.70583	1.2
128.98587	12.1
129.00531	1.3
131.01898	6.9
133.03473	1.9
134.99669	7.4
137.02960	4.0
140.98572	2.6
143.00156	6.2
143.01877	14.6
145.03491	6.7
145.04921	1.2
146.99663	10.6
147.04318	1.9
149.02908	2.4
155.01877	47.9
157.03450	3.4
158.99625	11.7
161.01207	7.0
161.02931	22.8
162.31006	1.4
163.02687	2.3
163.03964	4.7
165.00735	1.9
167.01976	3.6
169.03377	5.9
170.99643	8.6
171.01567	1.2
171.05096	1.5
173.02943	100.0
173.56862	1.4
175.04466	3.1
177.00703	12.8
179.02097	2.6
181.03375	1.6
182.99640	5.1
184.32236	1.4
185.02950	21.5
186.99214	2.2
187.03078	1.3
187.04512	7.5
189.00723	16.1
190.98665	1.7
191.03931	2.5
193.00146	2.0
195.01656	1.8
196.04561	5.1
197.02971	6.1
199.04521	1.7
201.00703	30.2
201.05962	2.6
202.98604	1.6
203.02454	1.4
203.04019	13.0
205.00169	2.9
207.01762	3.9
209.02922	2.7
213.00810	2.4
214.98587	1.9
215.04002	14.6
219.01747	31.6
221.02892	3.9
221.05061	4.1
223.04709	2.7
227.03944	4.8
231.01712	3.2
232.99655	2.7
237.02840	13.2
239.03949	1.7
243.01727	10.3
245.05057	52.5
247.01193	2.3
248.99275	2.7
255.03845	2.2
257.05038	8.4
261.02798	29.5
263.00739	1.7
263.06134	10.8
267.00357	1.6
269.04938	1.8
273.02628	1.9
273.08133	2.9
275.06128	16.4
277.08029	1.8
279.03894	21.5
281.01743	4.6
287.06146	2.3
291.00449	2.7
291.03809	5.8
293.07138	26.8
299.06317	1.7
302.05341	2.1
305.07150	40.3
307.08774	2.7
309.04977	1.4
316.08527	2.5
321.04898	14.2
323.08173	2.7
329.07013	4.2
333.04730	2.3
335.03986	1.7
335.08197	12.9
337.04083	1.7
347.08176	26.6
349.04190	1.5
351.06000	3.7
365.09274	50.9
381.06876	5.5
383.10208	4.4
389.09033	2.1
393.03128	6.0
399.08179	7.7
407.10342	31.2
419.10168	3.3
427.07730	5.9
437.11136	3.7
467.12302	1.5
469.08783	2.6
479.37982	1.3
497.07828	3.3
511.09628	1.5
527.15173	8.2
555.08661	19.1
569.09778	1.4
587.11224	3.4
587.20117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.05489	5.4
57.03424	1.4
57.07058	2.9
57.56469	1.1
59.04980	3.3
67.05219	1.1
67.05497	11.4
69.03401	1.8
69.07050	10.6
70.06547	2.5
70.06946	2.9
79.05476	8.1
81.07041	16.6
83.04980	6.6
83.08601	2.9
91.05463	18.9
93.06462	1.6
93.07029	21.6
95.04931	4.7
95.08589	24.3
97.06499	3.6
105.07014	27.8
107.04929	2.4
107.08578	37.3
109.06496	4.5
109.10139	16.1
111.04422	1.4
111.08041	3.3
111.11683	1.4
115.05441	2.3
116.06191	1.8
117.06976	6.7
119.08562	33.2
121.06477	4.6
121.10123	29.0
122.69431	1.1
123.08012	3.1
123.11714	5.6
128.06152	3.1
129.06970	5.1
130.07732	1.8
131.08539	24.5
133.06451	4.7
133.10120	33.2
135.08015	8.2
135.11679	21.6
137.05975	1.5
137.09579	2.2
137.13257	2.0
139.11192	1.3
141.07004	3.0
142.07748	3.5
143.08553	11.2
144.09348	1.8
145.06444	4.5
145.10101	33.2
145.11247	1.7
146.07281	3.0
147.08026	18.5
147.11653	14.9
149.05882	1.7
149.09602	14.5
149.13213	6.4
151.07515	2.6
153.06966	2.8
155.08511	8.6
156.09334	4.6
157.10110	14.6
158.07256	1.6
158.10788	1.7
159.08032	17.1
159.11667	18.2
161.05981	1.9
161.09581	28.3
161.13255	9.7
163.07477	5.7
163.11162	2.8
163.14790	4.1
165.09113	8.8
167.08568	2.3
169.10107	8.0
170.10890	2.9
171.07935	4.1
171.11659	9.5
172.08786	2.7
172.12318	1.5
173.09576	13.8
173.13234	10.2
175.07559	5.3
175.14798	6.7
177.09113	5.6
177.12686	4.8
177.16302	1.8
179.10628	1.7
179.14224	2.9
181.10066	3.1
182.10919	7.7
182.12286	1.3
183.08054	3.2
183.11655	7.8
185.09578	6.8
185.13210	10.2
186.10295	1.8
186.13965	1.6
187.07457	4.6
187.11192	6.5
187.14804	16.7
189.09070	2.3
189.12723	6.2
189.16336	11.4
191.10605	2.8
191.14304	3.3
191.17947	14.2
193.10213	2.2
194.10954	1.2
195.11626	4.9
196.33914	1.2
197.09563	2.8
197.13231	15.8
198.10352	3.3
199.11098	5.7
199.14790	7.2
201.09059	2.8
201.12662	6.7
201.16379	5.3
203.10567	1.6
203.14299	10.0
203.16046	1.4
203.16339	1.4
203.17957	10.0
205.12173	2.8
205.15820	2.5
207.11681	4.2
207.17453	4.9
208.12589	1.5
209.13206	4.3
210.10396	1.6
211.11137	1.8
211.14850	2.3
213.12740	11.6
213.16139	2.3
215.14288	29.6
215.17897	3.7
217.12163	5.4
217.15813	2.1
217.19577	2.5
219.13765	3.1
219.17278	1.5
221.13208	2.4
221.18936	1.6
222.13843	1.6
223.14873	2.5
225.12769	6.4
225.16316	4.0
227.14279	2.0
227.17825	2.4
229.12256	1.6
229.19499	6.8
231.13770	19.3
233.15323	11.1
235.13148	1.7
237.16452	2.6
239.17834	2.8
241.15726	1.1
241.19382	1.4
243.13760	29.4
243.17480	1.7
245.19049	1.6
247.20491	6.2
249.14816	5.2
251.17888	6.5
253.15820	2.2
253.19345	2.1
255.17284	1.7
255.21207	1.4
257.15143	1.9
261.14786	29.9
265.14230	2.6
265.19531	2.4
267.17429	2.1
269.18933	2.7
275.17917	1.4
279.15836	100.0
280.16168	1.5
281.19095	2.0
295.20438	1.7
297.18555	2.3
297.22012	1.2
321.22253	1.4
329.20883	1.8
337.21527	2.3
345.25824	1.4
349.25333	1.5
362.25253	1.4
375.26480	1.3
387.30283	3.8
391.29742	1.5
393.31650	2.1
403.29794	2.5
405.31448	23.8
415.29825	2.8
421.30911	9.8
423.32520	18.9
433.31024	17.2
439.32056	17.1
451.31985	36.3
469.26462	2.6
469.33069	46.5
470.33231	1.7
487.34079	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	587.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24376	3.9
55.05490	13.0
57.03426	5.9
57.07080	5.4
67.05479	22.0
69.03413	4.7
69.07047	17.7
69.40311	10.0
69.40710	37.8
71.04983	7.8
71.43786	3.9
79.05475	15.7
81.03419	6.9
81.07056	25.0
83.04974	9.2
83.08588	6.6
85.02895	11.9
85.48320	3.8
86.22919	3.7
89.91507	3.9
91.05465	23.4
93.07036	32.3
95.04952	16.8
95.08586	29.8
97.06548	9.0
98.21201	16.5
105.07022	25.7
107.08585	31.6
109.02924	4.6
109.06537	7.3
109.10149	19.4
117.07001	7.8
117.78353	4.3
119.08569	40.4
121.06467	7.4
121.10118	19.4
123.04422	9.3
123.08047	8.3
123.11670	6.7
128.06166	4.0
129.07001	6.6
131.08578	26.9
133.06499	5.4
133.10115	38.6
135.08032	6.6
135.11661	17.5
137.09575	4.4
139.03864	6.7
139.47655	4.8
141.06873	4.2
143.08546	10.9
145.06447	6.9
145.10112	37.3
147.08035	20.9
147.11664	15.9
149.09589	11.2
149.13243	4.9
155.08533	11.4
156.09390	5.3
157.10121	10.8
159.08051	19.6
159.11703	26.2
161.09602	37.2
161.13280	11.8
163.07620	4.9
163.11206	4.6
165.05423	7.4
165.09196	8.8
167.07106	4.9
169.10086	8.3
170.10742	4.6
171.11620	10.5
173.09586	17.9
173.13246	8.8
175.07544	5.4
175.14857	6.5
177.09158	6.6
182.11011	5.1
183.08005	4.7
183.11691	11.2
184.07286	9.4
185.09651	4.4
185.13239	8.5
187.07498	5.9
187.11107	6.4
187.14815	18.8
189.12680	4.8
189.16405	15.0
191.17911	15.5
197.13261	11.6
201.09018	5.8
201.12749	5.4
201.16490	4.9
203.14304	12.1
203.17990	5.5
209.13298	6.4
213.12555	4.5
213.16539	4.3
215.14293	25.1
223.14893	4.9
225.12859	4.6
229.19366	5.4
231.13785	17.7
233.15378	10.6
241.15825	4.5
243.13837	31.3
247.20561	7.7
249.14888	5.4
252.53542	4.1
261.14777	25.6
269.10434	5.6
279.15860	100.0
303.08499	4.3
387.30020	4.5
405.31339	21.5
421.31107	8.3
423.32559	16.7
425.19141	6.6
433.30933	11.5
439.31931	17.4
451.31946	36.4
469.33151	41.3
487.33868	9.7
587.31512	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
69.68775	1.0
69.69183	2.3
79.05476	2.5
80.69859	0.5
91.05460	3.2
94.04127	0.5
95.04946	1.0
97.02879	0.7
103.05447	3.1
105.06284	0.6
105.07008	12.2
107.04925	2.1
109.06451	0.7
110.51196	0.5
118.04111	3.2
119.04932	3.5
121.06501	0.8
123.04386	0.8
123.08043	1.4
124.05190	1.5
125.06028	0.7
131.04898	4.9
132.05684	0.9
133.02824	2.6
133.06467	11.2
134.07193	0.7
135.04373	1.2
135.08023	2.1
136.05161	0.7
137.05937	9.1
146.03575	0.7
147.04413	2.7
148.05119	0.8
149.05946	1.8
150.06734	9.3
151.07513	3.9
153.01811	0.6
161.05930	2.0
163.07507	10.9
165.05420	1.3
165.09085	9.6
167.06998	6.9
173.35182	0.5
175.07465	0.6
177.05382	0.9
178.06244	0.8
179.07024	3.7
179.10651	0.6
181.08563	1.1
191.07112	0.6
193.08572	43.8
195.10110	1.1
211.09618	100.0
212.09946	1.0
213.11205	1.2
334.33612	0.5
341.13736	1.4
361.16403	1.7
373.16107	1.0
589.06171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
51.15089	0.4
51.62206	0.4
53.03936	0.6
55.01853	1.2
57.03431	0.7
61.02904	0.4
65.67361	0.4
66.04729	0.4
67.05489	0.4
67.17789	0.4
68.67088	0.4
69.03404	1.2
70.06580	0.5
71.13230	0.5
71.13564	0.7
73.48153	0.4
79.05480	2.7
82.56236	0.4
85.02899	1.6
91.05469	4.9
93.07004	0.7
95.04969	1.1
95.08557	0.4
97.02856	0.8
97.06518	0.4
103.03935	0.5
103.05454	4.9
104.06197	0.4
105.07022	16.2
106.04137	0.4
107.04964	2.2
108.05711	1.0
109.06490	1.5
115.05432	1.2
118.04153	4.1
119.04947	5.0
120.05694	0.8
121.06483	1.1
122.07259	0.9
123.04401	1.3
123.08042	1.4
124.05183	0.8
125.05994	0.5
127.03895	0.4
131.04904	7.2
131.05809	0.7
132.05708	0.7
133.02843	4.7
133.06477	16.3
134.07240	0.9
135.04405	1.3
135.08047	3.3
137.04985	0.7
137.05960	9.6
145.04829	0.5
146.03619	0.9
147.04410	3.7
148.05162	0.5
149.05948	3.0
150.06749	9.8
151.07529	4.6
152.08282	0.4
161.05972	2.4
163.06120	0.6
163.07524	10.3
165.05443	1.6
165.09096	14.1
167.07028	8.3
175.59508	0.5
178.06174	1.5
179.07011	4.3
181.08571	1.4
193.08585	52.5
195.10228	0.8
197.11606	0.6
211.09633	100.0
212.09885	0.7
213.11215	1.6
229.14342	1.5
293.10358	0.5
341.13861	1.0
361.16257	2.5
373.16180	0.8
589.06860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05028	0.5
58.06611	0.4
60.08156	5.5
66.79108	0.2
67.05486	0.4
71.07362	2.7
71.64090	0.4
77.93812	0.2
79.05479	0.3
79.12968	0.2
80.17777	0.2
81.07057	0.5
85.80939	0.2
86.09693	25.6
91.05458	0.2
93.07038	0.4
95.08637	0.3
98.98454	2.4
104.10730	2.7
104.53655	0.2
107.08595	0.3
109.06507	0.2
109.10140	0.3
119.08495	0.2
123.08090	0.2
124.99987	18.7
125.37514	0.2
135.11732	0.2
143.01053	0.2
184.07314	100.0
202.54283	0.2
258.10965	0.3
291.19479	0.5
348.48566	0.2
357.14957	0.2
553.33423	0.3
570.35425	1.3
588.36603	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	588.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01834	5.0
55.05494	20.2
64.55664	4.2
67.05500	30.0
69.07059	10.9
71.62073	10.0
73.69331	4.5
79.05489	23.8
81.07043	23.1
83.08607	19.4
91.05460	17.6
92.10149	4.9
93.07037	28.9
95.04964	19.5
95.08585	23.3
105.07014	23.7
107.08570	12.3
109.10145	9.9
117.06998	9.5
119.08576	15.0
121.06512	6.4
121.10110	10.1
131.08569	8.2
133.10149	19.5
145.10109	13.1
147.11664	14.6
149.09584	16.9
159.11687	8.5
161.13242	6.7
163.11156	21.3
223.13324	17.4
235.41693	5.6
239.17952	12.6
257.18918	21.8
275.20047	100.0
276.20367	6.5
276.68039	5.1
276.71317	5.4
277.21677	6.1
293.21100	38.5
298.96854	6.2
306.24091	5.2
332.63159	5.7
588.46802	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	589.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61320	1.4
53.03931	5.0
53.15924	1.6
55.01854	7.1
55.05261	3.3
55.05504	39.3
57.03431	8.3
59.06186	1.5
60.59829	1.7
65.03930	4.2
67.05496	55.5
69.03413	8.4
69.07059	30.9
71.04962	4.7
71.62821	1.9
71.63208	1.6
77.03889	1.6
79.05482	60.5
81.03406	14.0
81.07047	61.1
83.04970	15.5
83.08605	17.3
85.06520	3.7
87.91283	1.6
91.05470	55.8
93.06464	2.9
93.07033	55.8
95.04955	33.1
95.08595	33.6
97.02852	5.1
97.06513	6.7
97.10161	20.9
99.08064	2.0
103.05445	2.5
105.04496	2.2
105.06375	2.9
105.07020	42.1
106.07357	1.6
107.04945	12.3
107.08580	22.7
109.06484	6.3
109.10164	13.6
111.08031	4.8
115.05421	2.8
117.07008	16.7
119.04950	1.6
119.07771	3.0
119.08567	34.5
121.06455	8.7
121.10098	10.4
123.08042	17.1
123.11680	2.6
125.00091	1.9
125.09628	12.9
128.06140	2.5
129.06993	16.0
130.07808	2.2
131.08536	14.3
133.06470	6.7
133.10120	14.0
135.08044	7.1
135.11684	5.5
137.09554	3.5
141.06908	2.5
143.08546	12.1
145.10129	15.6
147.04370	3.2
147.08003	9.5
147.11665	24.4
149.09599	3.7
149.13249	3.1
153.09114	1.8
157.10092	5.2
159.08109	2.1
159.11690	3.6
161.09560	8.1
161.13219	9.3
163.11162	6.9
165.09091	3.8
166.81250	2.1
169.10068	2.8
169.12292	3.4
171.11664	13.7
173.13171	1.7
175.11115	3.5
177.12724	2.7
183.11694	2.2
184.07314	2.9
185.13226	3.0
187.11182	2.0
187.13246	2.3
189.11157	8.4
189.12721	7.4
193.12173	2.3
197.13464	1.6
199.11301	1.8
207.13765	15.3
211.13304	1.8
223.13232	13.6
227.12801	16.3
249.14764	4.8
255.17558	2.3
259.20749	1.8
267.15753	3.9
273.18469	27.2
281.14603	3.1
281.17459	41.5
291.19498	100.0
347.22150	5.7
365.23138	27.9
473.28775	4.2
553.35040	3.5
571.36230	93.6
572.36481	3.6
589.37024	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	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.8
56.03589	6.6
57.03431	11.4
57.07072	37.3
66.69837	5.7
67.05498	37.3
69.07044	19.4
70.22598	29.9
71.08612	26.4
79.05470	27.5
81.07052	44.6
83.08596	9.0
85.10151	19.0
91.05470	41.9
91.28634	5.5
93.07021	28.5
95.08598	44.2
105.07008	56.3
105.17985	6.0
107.08595	16.0
109.10162	7.6
114.69614	5.9
117.06992	12.8
119.08585	37.9
121.10130	18.0
129.06921	7.3
131.08545	15.6
133.10095	22.0
135.11620	13.5
143.08510	15.7
145.10068	11.5
147.11636	42.0
149.13239	9.6
159.11716	19.5
161.12102	5.5
161.13234	35.5
171.11742	7.8
173.13199	10.2
175.14763	19.5
185.13220	8.8
199.14763	6.7
231.21092	13.1
241.19536	40.9
259.20572	100.0
313.27283	99.1
315.23007	8.1
333.24152	66.0
391.92465	6.0
571.46783	10.6
589.48102	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	590.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05024	0.4
58.06610	0.4
60.08156	5.8
67.05492	0.3
68.41475	0.1
71.07367	2.8
71.61900	0.2
80.97432	0.1
81.07034	0.3
83.08612	0.3
86.09695	30.6
93.07027	0.4
95.08584	0.3
98.98454	2.7
104.10732	3.0
106.34624	0.1
107.08536	0.2
109.10130	0.2
121.10159	0.3
123.08047	0.2
124.99989	21.1
143.01006	0.3
146.96907	0.1
179.14276	0.3
184.07318	100.0
185.07681	0.5
258.11014	0.4
313.27554	0.1
512.02142	0.1
572.36938	1.2
590.38000	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1703
Annotation	Cassiaoccidentalin C
Peak:m/z	Relative Intensity
50.79409	0.5
53.03933	0.5
55.01859	1.3
55.05489	1.0
57.03435	5.5
60.64252	0.5
61.02884	0.6
67.05482	1.9
69.58538	4.4
71.04985	41.6
73.02899	0.5
75.04474	1.2
79.05490	1.2
79.86858	0.6
80.08559	0.5
81.07069	0.7
83.04977	0.8
85.02896	38.0
87.04459	0.9
90.42248	0.5
91.05470	1.0
93.07024	0.7
93.43680	0.5
95.15927	0.5
98.20794	1.0
98.21434	0.9
105.07027	1.1
109.06490	0.5
111.04417	0.7
115.31118	0.5
117.06963	0.8
129.05461	7.5
129.06956	1.0
139.03868	1.4
145.06458	1.1
147.06540	1.0
153.01813	9.5
157.06508	0.6
159.07988	0.7
165.01859	1.9
170.27087	0.5
177.01811	0.7
185.05940	1.1
185.99043	0.5
203.03275	0.5
213.05460	1.6
219.06454	0.7
227.06999	0.8
229.04932	1.0
233.04317	0.6
239.01785	0.7
241.04915	1.1
244.09912	0.5
245.04626	0.5
247.41002	0.5
255.06552	1.5
257.04504	0.6
258.05176	1.2
259.05890	1.4
265.08545	0.6
269.04376	1.5
269.07733	0.6
271.02405	0.7
273.07523	0.5
283.06039	1.0
283.09604	0.9
285.03934	1.8
286.04633	3.3
287.05441	3.1
293.07971	3.6
295.05997	1.2
296.03107	1.1
297.03992	1.4
299.01819	1.9
299.05237	1.0
300.02853	0.6
301.03467	0.7
309.03922	1.9
310.04800	1.1
311.05649	1.1
311.08914	2.8
313.03436	4.2
314.04337	2.5
315.04947	1.3
315.08560	1.3
320.06824	0.6
321.07523	2.4
323.05530	1.2
324.02808	0.8
325.03259	1.8
325.07034	0.7
328.01993	0.8
329.10175	0.8
334.04535	0.8
337.03433	1.4
338.07901	0.9
339.05005	1.1
339.08582	6.7
341.02927	7.5
341.06564	1.2
342.03613	9.6
343.04395	1.0
343.08200	1.0
349.06979	3.5
351.05026	2.9
353.06604	1.1
355.08218	1.2
356.05127	0.9
357.09579	3.8
365.06393	0.6
366.07385	0.7
367.08084	10.3
369.06018	2.8
370.03134	20.8
371.03668	0.9
371.07608	1.1
377.06525	1.1
384.08371	5.4
385.09143	2.3
395.07584	33.5
396.07687	1.3
413.08618	100.0
414.09042	2.6
427.10349	2.6
437.08423	0.7
445.11255	39.1
446.11322	1.2
455.09628	2.2
523.12555	0.8
530.02563	0.8
531.33533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90712	1.4
55.05492	6.4
56.05029	2.9
57.03412	2.2
57.07056	1.7
60.04510	1.7
67.05492	17.0
69.03419	4.2
69.07053	3.8
71.04977	3.5
71.62161	1.8
79.05481	14.9
80.05025	2.6
81.03399	4.8
81.05760	1.7
81.07046	15.8
82.06567	3.7
82.80678	1.3
83.04979	2.9
83.08611	3.8
83.80470	1.5
85.02883	2.8
85.06541	1.7
87.04462	4.0
91.05444	8.5
93.07033	23.1
94.06568	12.5
95.04948	6.5
95.08594	19.6
96.08125	2.3
96.80463	1.3
97.06506	5.4
97.10141	2.0
103.05413	1.5
105.07014	13.4
107.04948	1.9
107.07321	4.2
107.08588	4.3
108.26072	1.4
109.10136	3.5
110.09653	8.0
111.08073	12.2
117.07001	2.2
119.08556	4.6
121.10109	3.6
122.09657	35.1
123.08044	24.3
128.10696	30.3
131.08620	2.4
133.10164	2.8
135.11668	1.6
140.10680	100.0
141.09064	10.2
145.10094	3.4
147.11653	2.3
148.11981	1.6
151.11148	1.5
158.11751	7.7
163.11118	1.8
175.11258	1.7
272.25873	7.2
275.19931	2.0
281.17642	1.6
282.17807	1.8
313.27335	1.8
314.27768	1.8
319.62073	1.9
382.33026	9.0
394.33118	19.9
412.34146	70.2
592.37616	1.8
593.32898	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	593.186
Annotation	acacetin-8-C-neohesperidoside
Peak:m/z	Relative Intensity
53.03927	1.8
53.65230	1.5
55.01858	5.3
55.05503	2.3
57.03434	14.3
64.92714	1.4
66.92039	1.5
69.03457	2.0
69.07050	2.9
70.01931	7.5
71.04988	91.7
73.02903	2.1
75.04464	2.9
79.05447	2.4
81.03403	2.3
81.07047	4.2
83.04966	3.5
83.05441	2.1
85.02898	96.7
86.09708	1.7
87.04444	3.9
93.07015	2.2
95.08552	1.8
97.02881	2.4
97.06499	4.7
105.07005	3.3
107.08556	2.2
109.06491	1.6
111.04426	3.5
119.08597	3.5
123.04391	2.3
127.03925	7.6
129.05464	24.3
131.08548	2.5
133.10065	1.6
135.04381	1.8
137.05980	3.2
139.03822	4.1
147.04453	2.2
147.06482	3.5
153.01836	7.6
161.05933	2.0
161.09732	1.6
163.03900	3.8
167.07028	3.1
175.07516	2.7
179.03395	5.6
184.50099	1.5
189.05298	2.1
207.02864	4.8
217.08618	4.9
235.02214	1.7
238.34521	1.8
245.04390	2.3
257.04251	1.9
271.05945	3.1
282.05197	3.2
283.05951	2.0
295.05945	2.9
296.06912	2.7
299.05524	5.8
299.08820	2.7
303.05014	2.1
313.10675	26.5
317.74850	1.9
319.04230	2.3
323.09155	3.9
325.10666	13.3
341.10168	15.3
343.11395	2.1
369.09711	12.2
371.07254	2.9
371.11356	3.2
397.09061	10.3
415.10229	100.0
427.10452	3.0
429.11777	8.4
447.12836	33.9
457.11041	5.3
525.13898	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	593.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97143	0.2
70.06574	0.3
70.18555	0.8
70.18974	0.5
71.04990	0.6
79.05489	0.2
81.98959	0.3
85.02892	0.8
109.02860	0.3
123.04422	1.2
127.03919	1.2
135.04433	0.6
137.05995	0.9
139.03880	2.3
150.71043	0.3
151.03893	1.0
153.01889	0.5
163.03906	0.9
167.07153	0.3
175.03690	3.6
179.03386	0.7
179.21066	0.3
181.05058	0.3
185.04268	1.0
188.04378	0.4
189.05215	2.1
195.03127	0.3
201.05403	0.5
219.06267	6.3
229.05194	0.3
234.08614	22.7
235.09096	0.6
245.04544	0.5
247.05733	0.3
257.04483	0.4
257.08176	0.5
287.05493	0.5
289.06915	0.3
303.04935	2.3
309.09436	0.3
351.06100	0.5
351.10461	9.2
352.11026	0.3
355.06735	0.3
363.10468	0.8
365.12054	9.1
381.11563	0.7
401.14850	0.3
423.07190	0.3
431.16751	6.9
441.08340	0.4
447.09164	0.4
563.21002	0.6
593.21997	100.0
594.22278	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	593.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01860	2.0
55.05254	0.7
55.05504	7.4
57.03428	6.1
57.07063	1.4
60.86430	0.5
63.09216	0.5
65.03908	0.7
67.05499	16.1
67.30421	0.5
69.03410	1.3
69.07059	6.3
69.64525	3.5
70.11794	0.5
71.04972	1.4
71.30361	0.5
73.02909	0.6
79.05484	14.5
81.03405	3.7
81.06567	1.0
81.07049	20.0
83.04976	4.7
83.08609	3.4
85.02386	0.5
85.02876	1.2
85.06522	1.6
91.05463	14.4
93.07036	20.9
95.04946	3.5
95.08595	14.2
97.02880	0.6
97.06511	1.4
97.10152	1.5
97.18661	0.5
98.21030	1.8
98.98450	8.7
99.04472	0.6
99.08049	1.1
103.03918	1.9
103.05456	0.7
105.07016	16.1
107.04969	0.9
107.08584	13.8
109.02885	1.5
109.06499	1.7
109.10152	5.6
111.00820	0.7
111.04446	0.7
111.08047	0.9
115.05430	0.8
117.07003	4.5
119.08570	16.5
119.09428	0.9
121.06474	1.2
121.09293	0.9
121.10130	12.0
122.10509	0.5
123.04402	0.8
123.08055	1.4
123.11711	1.7
127.03871	1.7
129.05472	4.6
129.06989	2.8
131.08562	8.7
133.06467	0.6
133.10118	11.0
134.10397	0.6
135.08046	1.0
135.11690	8.7
137.09634	0.6
137.13196	0.6
139.03891	2.0
142.07741	0.6
143.08524	2.6
145.10109	7.4
147.04369	0.6
147.08032	0.8
147.11667	10.0
149.06026	0.6
149.09607	1.2
149.13246	3.8
151.11093	0.7
153.01811	7.4
155.01021	1.6
155.06996	1.8
155.08534	0.5
157.10117	4.3
159.08029	0.6
159.11679	7.9
161.13231	8.0
163.03873	1.1
163.11211	0.8
163.14807	3.5
169.08690	0.6
169.10091	0.6
171.11638	5.1
173.02118	0.7
173.13277	5.3
175.11194	1.4
175.14819	6.4
177.12666	1.0
179.03366	1.1
185.13228	5.6
187.14813	1.6
189.12674	0.6
189.16371	1.4
199.14818	2.8
203.14232	0.7
213.12805	1.1
213.16412	1.5
215.14413	0.6
215.17972	3.6
217.19484	5.0
227.06931	0.6
227.12683	0.7
231.21048	2.2
241.05046	0.7
241.19484	21.8
242.19864	1.0
243.13881	0.9
243.21066	3.0
259.20551	10.7
261.03683	1.8
275.20148	1.3
277.21606	1.6
287.05417	0.7
289.21732	0.8
291.19397	1.9
301.03238	0.6
315.04880	0.8
315.23172	2.2
317.06415	0.6
327.05035	1.1
329.02817	2.1
331.04535	1.1
333.24197	100.0
334.24606	3.3
335.07391	2.5
343.04535	2.6
355.04120	2.5
369.06003	0.7
375.30237	1.0
403.29800	1.8
411.10611	2.3
413.21133	0.7
437.04272	0.5
467.13062	0.6
507.16235	1.0
529.22369	0.6
557.21967	1.6
575.22595	9.5
575.35449	1.0
576.22955	0.8
593.23273	4.5
593.38055	0.8
594.24365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2745
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
70.42174	1.6
81.91653	0.4
93.85934	0.4
107.92912	0.4
153.20937	0.4
209.18393	0.4
338.12854	0.4
379.10815	0.4
388.17062	0.6
389.17578	0.6
401.17896	0.5
402.18427	0.7
403.19156	1.5
404.20117	1.1
405.20667	1.4
416.20349	0.5
417.16306	1.0
417.21558	3.1
418.21573	1.3
419.22452	3.2
430.17444	0.9
431.18146	7.3
432.19394	1.5
432.24103	0.7
433.24326	3.9
434.24496	1.6
444.18896	0.5
445.19894	8.8
446.20532	3.7
447.21780	3.4
449.23477	0.5
459.21655	3.2
460.22522	7.2
461.23257	6.0
473.23367	1.2
476.25754	0.5
491.24744	0.5
492.25238	1.1
505.22018	3.6
519.23816	0.9
533.25415	17.2
534.25983	0.9
549.20013	0.5
593.27496	100.0
594.27789	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	593.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56713	0.2
70.57923	0.9
74.43049	0.3
95.29046	0.3
103.94241	0.3
109.49770	0.3
129.45436	0.2
141.68942	0.3
158.66493	0.3
190.98790	0.3
207.09196	0.3
209.10565	0.4
326.26581	0.3
387.16071	0.4
388.16861	0.7
389.17532	1.3
390.18478	0.3
391.19168	0.3
401.17639	0.6
402.18524	1.4
403.19147	4.0
404.19940	1.2
405.20703	2.1
415.19235	0.9
416.15485	0.5
416.20187	1.0
417.16562	1.2
417.21381	4.9
418.21652	2.7
419.17657	0.3
419.22464	4.8
428.48022	0.3
429.21106	0.4
430.17319	1.7
431.18103	10.3
432.18585	2.3
433.24100	9.2
434.24573	1.2
444.19174	0.6
444.24414	0.4
445.19901	12.5
446.20505	4.7
447.21530	5.0
447.26547	0.4
448.22775	0.3
458.20538	0.4
459.21393	3.2
460.22510	9.7
461.23303	8.6
473.23627	2.4
474.24133	0.8
476.25897	0.6
477.23114	1.0
481.26523	0.3
487.24951	0.9
491.24396	0.4
492.25034	0.9
505.21701	3.4
519.24023	0.5
533.25458	30.9
534.26111	1.7
547.27057	0.4
564.23816	0.4
565.28180	0.8
575.26428	0.4
593.27521	100.0
594.27814	6.7
594.37183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.0
53.54303	1.3
55.01870	14.7
55.05505	39.6
56.96552	19.4
57.03428	9.0
57.03658	1.3
57.07060	2.3
59.04985	1.9
65.03918	4.0
67.05497	64.5
67.05862	3.2
68.99786	2.9
69.03428	7.7
69.07058	25.3
71.04988	8.7
72.96043	1.4
73.02887	1.4
77.03932	1.6
79.05482	54.9
80.05820	1.4
81.03408	47.7
81.07046	100.0
83.04968	23.4
83.08606	27.2
84.96009	1.6
85.02900	22.6
85.06530	3.6
91.05454	45.0
93.07027	43.3
95.04952	38.3
95.08591	31.6
96.02889	1.5
97.02885	4.9
97.06520	11.3
97.10157	19.0
99.04430	2.9
105.07015	38.2
107.04935	11.1
107.08580	32.8
109.02864	1.9
109.06524	11.8
109.10147	21.3
111.00800	2.0
111.04430	16.4
111.08087	12.7
113.06030	2.4
115.05473	2.3
117.07007	15.1
119.08572	36.3
121.06483	8.7
121.10126	19.0
123.04395	3.6
123.08051	27.5
123.11681	6.4
125.09611	22.1
127.03884	4.6
128.06192	3.9
128.98567	2.7
129.06992	11.8
131.08546	18.0
133.06454	5.2
133.10114	16.9
135.08049	8.2
135.11678	11.9
137.05957	1.8
137.09595	4.8
139.03882	4.5
141.07011	1.9
142.07800	2.5
143.08527	6.1
145.06508	2.5
145.10104	19.1
146.99614	4.6
147.04364	1.6
147.08035	10.2
147.11646	17.2
149.09631	12.2
149.13216	2.0
153.01814	58.8
153.09096	4.1
153.12727	9.7
154.02159	1.7
155.08525	2.0
157.10110	13.8
159.04466	1.6
159.08028	2.5
159.11649	7.3
160.00386	1.5
161.01167	2.0
161.05872	1.5
161.09564	5.0
161.13251	1.8
163.03915	2.3
163.11177	19.4
165.01888	2.4
165.09067	4.4
165.12767	3.2
167.08513	2.2
169.10062	2.2
171.10202	2.1
171.11653	3.8
173.09610	4.0
173.13237	2.1
175.11174	12.9
177.12750	1.9
179.03365	1.8
181.12201	12.0
183.11659	1.7
185.05992	2.5
185.13203	2.9
187.11142	2.2
189.11206	21.3
189.12732	1.6
191.03468	3.5
191.10641	6.6
193.12210	34.5
193.13841	2.7
197.06032	3.1
199.06361	3.8
199.14813	2.0
201.05527	2.8
201.12773	2.2
203.03441	2.6
203.14265	2.1
205.12227	1.7
209.11662	1.6
211.06300	1.9
211.13257	45.4
213.05492	4.0
213.07852	1.7
215.07031	2.5
217.05339	2.0
217.07368	7.4
219.02919	6.6
223.13315	4.3
227.03557	1.6
227.06898	1.5
227.12761	22.6
229.04901	4.2
229.07445	8.6
231.06633	1.6
231.08972	3.1
241.04990	3.1
243.08937	2.5
245.04529	3.6
245.19081	2.9
247.08607	8.7
249.14726	3.1
251.20082	3.5
253.04840	2.7
255.03017	1.8
255.06516	2.2
255.09081	4.9
255.17448	2.1
259.06116	1.6
261.09930	2.3
267.15912	13.9
269.04504	4.1
269.10666	4.3
273.10110	2.7
273.18436	24.1
275.19962	6.0
281.04358	1.6
283.12262	4.6
283.15228	3.4
285.10071	3.2
285.16891	27.5
286.10782	1.8
287.11569	3.5
289.03275	2.3
291.19498	60.4
301.03339	4.9
301.13330	1.9
309.20505	5.7
311.05417	2.9
313.03302	2.6
315.04919	2.1
319.04941	1.7
323.05634	1.9
327.04880	7.3
327.12540	2.1
329.02921	14.1
331.04590	5.6
331.15775	1.9
333.24136	4.9
335.05417	2.4
339.04883	5.3
342.03510	2.9
343.04330	16.3
345.13538	3.4
347.22141	4.7
348.15088	1.9
349.16684	2.9
349.23502	2.0
353.06476	2.5
355.04361	24.6
363.14786	6.2
365.06360	2.3
365.23187	25.1
368.05295	1.9
369.06110	3.2
381.06052	2.0
381.16183	2.8
381.19519	34.0
383.24167	1.6
395.07730	2.1
399.16779	15.0
411.10641	10.7
422.18417	5.0
425.12140	1.9
435.10446	1.9
437.12350	4.0
447.28680	2.1
465.29987	3.9
483.30881	3.4
501.31549	1.7
505.14929	2.7
507.16467	7.2
525.17944	1.4
539.33441	4.4
547.22809	5.3
557.21759	6.9
557.34558	17.3
575.22516	82.2
575.35559	35.6
575.44806	2.2
576.23328	7.9
593.23083	28.0
593.37305	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	595.1439
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
55.01852	1.0
58.28472	0.7
65.03915	0.7
67.05502	1.0
68.99780	4.4
70.86807	2.2
74.71220	0.6
77.02281	0.6
81.03394	2.4
95.04973	1.1
99.04486	0.8
107.04932	1.5
109.02871	3.0
111.00796	4.8
111.04456	1.8
119.04909	1.2
121.02823	1.4
123.04414	29.5
127.03899	100.0
131.04903	1.3
133.02856	1.7
135.04399	6.4
139.03882	66.0
143.04903	0.8
147.04401	9.8
148.04704	0.8
149.02339	2.8
149.05954	0.7
151.03883	21.1
151.05109	1.2
153.01826	1.0
155.03378	2.6
157.06541	0.8
159.04382	2.4
161.05980	3.1
163.03899	13.5
165.05461	6.0
167.03432	4.0
167.04703	0.6
171.04404	0.9
173.06024	1.5
175.03889	8.7
177.05463	4.4
179.03378	25.6
179.06857	0.8
181.04935	1.7
185.06023	1.3
187.03844	1.8
187.98505	0.8
189.05397	3.4
191.03389	9.0
193.04950	2.9
197.05975	1.4
199.03909	0.9
201.05403	4.2
203.03375	13.9
203.06882	0.6
205.04991	2.2
207.06555	1.0
213.05431	3.6
215.03395	1.4
217.04955	2.8
219.06508	1.1
229.04932	4.0
231.06470	1.7
233.04398	4.8
241.04955	2.3
243.06491	1.1
245.04417	8.0
247.05984	8.4
251.05333	1.0
257.04422	9.9
258.05444	1.2
259.06006	3.8
263.05460	6.0
269.04431	3.1
271.05969	4.2
273.07587	1.0
275.05475	16.2
277.07144	1.4
283.06097	2.1
287.05453	40.5
289.06876	4.2
291.08588	20.9
299.05490	9.2
301.07166	2.8
305.06503	14.9
307.08093	2.3
317.06534	9.5
395.50232	0.7
407.07578	1.0
409.09134	9.0
425.08643	11.5
427.10132	4.7
443.09583	7.3
451.10312	2.0
455.09470	0.7
479.01422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95067	0.5
55.01865	1.1
59.57257	0.4
65.03938	1.2
67.01865	0.5
67.05496	0.8
68.99781	5.6
70.29798	1.3
81.03413	2.8
91.05485	0.6
95.04961	1.7
97.66178	0.4
98.21381	0.6
99.04448	1.3
105.03397	0.8
107.04956	0.7
109.02866	3.5
109.44825	0.4
111.00788	7.2
111.04443	2.0
112.84052	0.4
115.05586	0.4
119.04934	1.6
121.02870	1.3
123.03671	0.5
123.04414	30.2
127.03902	100.0
128.04265	0.6
131.04889	0.9
133.02846	1.6
134.53346	0.4
135.04402	1.8
137.02432	0.7
137.05974	0.6
139.03885	73.0
140.04306	0.8
147.04401	11.6
149.02301	2.3
149.06020	0.5
151.03886	24.1
152.04161	0.6
153.01791	0.7
155.03310	1.0
157.02888	0.5
157.06468	1.2
159.04372	1.2
161.02312	0.6
161.05971	2.2
163.03900	4.9
165.05476	7.0
167.03415	4.2
169.04959	0.5
169.06433	0.6
171.04385	1.1
173.05960	1.1
175.03891	17.3
177.05469	5.1
179.03377	30.8
180.03729	0.5
181.04933	0.9
183.04424	1.0
185.05939	1.7
187.03857	1.4
189.05463	3.5
191.03362	11.5
193.04964	4.5
197.05936	0.9
199.03867	2.2
201.05443	4.1
203.03369	24.4
205.04970	1.5
207.06459	1.3
213.05476	5.4
215.03365	1.0
217.04936	3.5
219.06421	1.3
221.04561	0.5
225.05453	0.7
227.03201	0.6
229.04968	4.2
231.06551	3.7
233.04451	5.3
240.67271	0.5
241.04955	3.2
241.09274	0.5
243.06444	0.5
245.04463	10.1
247.05974	1.0
251.05490	2.0
253.04810	0.8
257.04434	11.5
258.05051	0.9
259.06024	3.6
263.05490	8.8
269.04462	4.2
271.06113	2.7
273.07498	0.9
275.05463	18.3
281.04282	0.7
287.05469	51.6
288.05762	1.8
289.06992	0.7
291.08591	15.5
292.08923	0.6
299.05478	15.1
303.08530	0.8
305.06476	9.1
315.08716	0.5
317.06543	12.8
391.08197	0.5
407.07516	0.8
409.09116	6.9
425.08627	16.0
426.08661	0.6
427.10196	4.9
433.09311	0.5
443.09689	7.2
451.10254	0.8
455.09412	1.1
595.15173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1439
Annotation	CHEBI:75670
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	1.4
65.03924	1.4
66.29378	0.5
68.99783	4.2
71.18769	1.2
77.03912	0.7
79.05466	1.2
81.03397	2.0
83.04955	0.5
85.02928	1.1
95.04976	1.0
99.04458	0.7
101.25784	0.5
103.05412	0.7
107.04942	2.4
109.02894	3.0
111.00810	2.3
111.04436	3.6
117.03352	0.6
119.04942	1.1
121.02850	1.5
121.64797	0.5
123.03689	0.3
123.04410	23.9
127.03899	100.0
128.04283	0.9
129.06981	0.6
131.04984	1.4
131.08521	0.5
133.02776	1.0
135.04399	29.3
137.02319	2.3
139.03882	79.9
140.04222	0.9
141.06937	0.9
143.04906	0.9
145.06488	0.6
147.04385	3.1
149.02327	3.3
149.05972	1.8
151.03885	16.5
151.05093	1.0
153.01840	0.7
153.05414	0.6
155.03429	0.6
157.06500	0.8
159.04384	3.2
161.05940	2.4
163.03882	35.7
164.04218	0.6
165.05457	2.5
167.03401	5.9
169.04901	0.9
169.06454	1.2
173.05980	2.5
175.03886	3.6
177.05418	4.5
179.03360	7.0
181.04990	4.4
181.06471	1.0
183.04457	0.8
185.05952	1.4
187.03847	5.1
187.07547	0.7
189.05421	2.0
191.03355	9.7
193.04926	2.7
195.06535	0.7
197.05983	2.6
201.05460	5.6
203.03343	7.1
203.06953	2.0
205.04965	3.2
211.03995	0.6
213.05399	2.0
215.03325	0.8
215.07004	2.2
217.04918	1.5
219.06419	0.9
225.05368	1.0
229.04942	6.7
231.06442	1.5
233.04407	4.7
241.04840	1.0
243.06459	4.0
245.04434	5.8
247.05981	29.0
248.06172	0.9
251.05373	1.6
253.04948	1.2
255.06522	1.2
257.04416	9.7
258.04990	1.1
259.05997	7.7
261.07471	1.5
263.05338	1.0
269.04398	2.0
271.05994	14.0
273.07602	0.7
275.05496	12.1
283.05957	4.9
287.05484	19.8
289.07040	21.4
291.08444	1.6
299.05460	3.4
301.07071	13.7
305.06516	1.5
307.08087	11.3
317.06381	0.7
319.07980	0.9
323.05283	0.5
407.07455	1.2
409.09155	10.7
425.08661	9.2
427.10135	8.4
437.08823	0.7
442.64047	0.7
443.09750	4.7
451.09473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
53.00284	0.7
53.03927	0.8
55.01865	1.6
56.96558	1.4
57.03427	1.5
60.00177	0.6
61.02908	1.0
63.15004	0.6
65.03947	0.6
67.05502	0.6
68.99777	6.4
69.03418	3.3
71.04973	0.7
71.62237	1.0
73.02880	0.9
77.03936	0.6
81.03401	3.3
83.04979	0.9
85.02895	7.4
89.03924	1.4
91.05441	0.9
93.03409	0.8
95.04971	2.1
97.02898	3.3
98.97565	2.5
99.04444	1.6
105.03344	1.0
107.04940	1.8
109.02868	4.5
111.00817	6.1
111.04425	2.2
115.05453	0.8
116.98618	2.5
119.01906	1.9
119.04946	3.2
121.02875	1.6
123.03718	0.6
123.04416	36.6
127.03901	100.0
128.04282	0.8
128.98607	1.5
130.04919	0.8
131.01872	2.0
131.04855	1.5
133.02829	1.0
134.99638	2.3
135.04407	13.2
137.05954	2.2
139.03886	82.3
140.02222	0.6
140.04227	1.4
143.00200	0.8
143.01877	1.9
143.04965	1.0
145.02791	1.2
145.04974	1.2
145.06421	0.8
146.99646	1.4
147.03230	0.8
147.04395	13.3
149.01273	0.7
149.02272	3.5
149.06030	1.1
151.03873	25.0
152.02370	0.7
153.00629	0.9
153.01805	1.0
155.01840	1.5
155.03345	1.2
156.12483	0.6
158.99661	1.6
159.04428	2.3
161.01192	1.4
161.02876	2.4
161.05957	2.5
163.02531	1.3
163.03886	26.1
164.02466	0.6
164.04295	1.2
165.05493	5.4
166.01253	0.6
167.03430	6.1
169.04939	1.2
170.99684	1.0
171.04391	1.1
173.03000	1.4
173.05977	1.6
175.03893	10.8
177.00699	2.2
177.05446	6.2
179.03372	26.4
181.05005	3.1
183.04485	0.7
185.01230	0.9
185.02917	1.7
185.05992	1.9
187.03880	3.5
189.00671	2.1
189.05458	4.7
191.03410	13.3
193.04933	4.5
194.03680	0.8
197.05966	2.0
199.04010	1.6
200.04512	1.2
200.54457	0.8
201.00671	1.7
201.05536	5.1
203.03374	19.1
205.05011	1.9
205.11469	0.6
207.06592	0.9
213.05464	5.1
215.03647	1.4
215.07039	1.0
217.04985	4.2
219.01797	2.7
221.04980	0.9
224.04506	1.2
225.05383	0.9
229.04935	8.3
231.06522	2.2
233.04471	6.4
237.02798	2.1
240.59718	0.6
241.04893	3.3
243.06422	2.0
245.04506	13.2
247.06013	16.0
251.05481	2.4
253.05070	0.9
255.06694	1.2
257.04425	16.9
258.05234	1.3
259.06009	5.6
261.02789	1.0
263.05527	8.6
269.04453	4.3
271.05997	6.8
272.06506	3.0
273.03009	0.8
273.07739	1.5
275.05478	25.1
276.06168	0.9
279.03668	1.4
281.04337	0.8
281.07089	7.7
281.57257	1.8
283.05893	2.0
284.06696	2.4
287.05472	50.7
288.05847	1.4
289.07114	8.0
291.08615	15.4
299.05481	14.3
301.07010	6.3
303.08582	1.3
305.06577	11.0
307.08115	3.3
317.06506	12.8
341.29169	0.7
348.99948	0.7
353.07550	0.9
362.09717	3.8
365.09271	3.5
371.04480	1.1
381.06607	0.7
397.04388	1.0
407.07480	1.3
409.09207	11.4
425.08594	16.5
427.10229	6.8
443.09634	7.0
451.10245	1.4
455.09830	1.3
595.16028	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	595.1643
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
52.40242	0.1
57.03413	0.2
58.63677	0.1
61.02889	0.1
66.02476	0.1
67.76576	0.1
68.99785	0.3
69.75451	0.1
71.04984	0.9
75.25483	0.2
81.03387	0.1
85.02891	1.2
98.21477	0.3
105.07007	0.2
121.02855	0.6
127.03931	0.3
128.82910	0.1
129.05457	0.2
130.34964	0.1
133.06425	0.1
137.02335	1.7
143.04855	0.2
145.06470	0.2
149.02321	0.5
157.06454	0.4
161.05974	0.4
163.03931	0.2
165.01810	0.2
174.05382	0.1
175.03951	0.2
175.07538	0.2
181.04932	0.2
185.05945	0.6
189.05487	0.4
199.03893	0.2
203.07034	0.3
213.05452	1.7
231.06496	0.7
241.04904	1.0
259.05957	0.2
269.04349	0.3
287.05460	100.0
288.05780	1.2
303.04919	0.4
349.26578	0.1
415.09821	0.3
433.11142	0.4
449.10757	2.4
595.16351	4.5
595.25415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1651
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03946	0.2
55.01859	0.2
55.05507	0.2
57.03175	0.1
57.03434	1.7
59.04996	0.1
61.02925	0.4
68.99812	0.2
69.03426	0.9
69.98811	0.4
71.01359	0.1
71.04985	10.3
73.02908	0.3
75.04464	0.4
81.03433	0.5
83.04984	0.6
85.02895	14.4
87.04458	0.4
91.03934	0.1
95.04968	0.1
97.02888	1.1
98.21419	0.1
99.04460	0.3
105.03370	0.2
107.04955	0.1
109.02851	0.6
111.00799	0.5
111.04401	0.4
121.02850	1.7
127.03904	0.7
129.05466	2.9
133.02853	0.4
135.04410	0.1
137.02316	0.4
145.04945	0.7
145.06441	0.2
147.04424	0.4
147.06503	0.8
153.01810	2.4
157.06483	0.2
161.05963	0.1
165.01828	1.3
171.04504	0.2
175.04024	0.1
181.04813	0.1
183.02870	0.6
185.05908	0.3
189.05435	0.1
197.06004	0.1
203.03430	0.1
203.07016	0.2
213.05444	1.0
231.06407	0.5
241.04956	0.6
258.05222	0.7
259.06052	0.2
269.04318	0.2
269.59302	0.1
287.05463	100.0
288.05786	1.4
299.05389	0.1
329.06393	0.2
354.47003	0.1
391.39462	0.1
418.40210	0.1
449.10812	0.6
460.22745	0.1
503.34589	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	595.1651
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.05504	2.6
57.03434	12.2
59.05000	1.4
67.05497	0.9
68.99788	0.8
69.03428	8.9
69.41151	8.1
71.01353	1.1
71.04989	74.3
73.02915	12.2
75.04477	3.0
81.03444	0.8
82.58799	0.8
83.04980	13.0
85.02901	83.1
86.06013	0.7
87.04480	2.6
95.04974	2.3
97.02865	1.5
99.04468	4.6
111.04434	7.6
117.05480	7.6
121.02853	2.7
127.03903	2.8
129.05470	24.7
137.02354	7.3
145.05048	1.2
147.06525	6.7
153.01808	4.1
153.05493	1.8
159.06488	0.9
163.06000	11.2
165.01833	2.9
189.07593	1.7
196.41498	0.8
201.05499	1.5
201.07629	1.1
210.06868	0.8
229.05016	3.8
239.09167	2.3
257.04495	2.6
285.03833	1.4
287.05496	66.3
288.05777	1.0
299.05457	2.6
302.04401	1.2
303.04987	100.0
304.05429	1.8
315.04938	11.3
316.05627	2.1
327.05118	2.9
341.06354	1.8
345.06046	23.7
351.08203	1.0
353.06494	1.6
367.08249	1.9
369.06015	7.6
395.07672	5.5
413.08606	15.7
431.09653	8.3
449.10760	27.9
464.38873	1.0
595.15936	2.0
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	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03930	0.4
56.05005	0.3
57.03435	2.8
57.83982	0.3
68.99805	0.5
69.03430	0.4
70.67517	1.1
71.04981	17.9
75.04484	0.6
77.27802	0.3
83.04986	0.5
85.02892	20.3
87.04456	0.6
94.06446	0.3
95.08610	0.3
101.51846	0.3
107.04914	0.4
111.00802	0.5
111.04406	0.7
116.55798	0.3
121.02832	1.5
121.06390	0.3
123.04410	1.6
127.03896	3.1
129.05458	5.1
133.10101	0.4
135.04362	0.9
137.02333	1.0
137.05888	0.4
139.03873	2.9
145.06474	0.4
147.04396	0.9
147.06488	0.7
148.39297	0.3
151.03859	0.6
153.01819	2.8
153.05327	0.3
157.06424	0.3
163.03877	1.5
165.01831	1.2
165.05405	0.5
175.03812	0.4
179.03383	0.8
181.04907	0.5
183.02847	0.6
185.05988	0.3
191.03288	0.4
203.03410	0.6
207.13843	0.4
213.05493	0.8
229.04694	0.4
231.06520	1.0
233.04555	0.4
241.04979	1.0
247.06001	0.5
248.02019	0.3
257.04398	0.3
258.05222	0.8
259.06061	0.4
270.81473	0.3
275.05530	0.3
283.05869	0.5
287.05453	100.0
288.05753	2.0
299.05569	0.9
301.06940	0.8
385.07370	1.1
409.09235	0.6
415.08347	0.4
425.08395	0.6
433.11169	0.8
449.10715	16.3
450.11292	0.4
453.30289	0.4
521.63721	0.4
551.63373	0.3
595.20050	0.7
622.07501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14838	0.4
50.44872	0.4
53.03899	1.3
53.14310	0.4
55.01873	2.5
55.05504	6.4
56.08746	0.4
57.03402	0.8
57.07034	0.6
65.03898	1.2
67.05497	12.0
68.99739	0.8
69.03409	0.8
69.07065	6.5
69.07417	0.5
69.34129	4.4
71.01308	0.6
71.04966	1.1
73.02862	0.5
77.82829	0.4
79.05481	10.4
79.05933	0.4
79.14243	0.4
81.03410	3.9
81.07048	28.3
83.04929	1.7
83.08607	3.4
85.02896	2.0
85.03304	0.4
85.06498	1.1
91.04963	0.6
91.05460	7.9
93.03321	0.5
93.07031	7.7
95.01283	0.5
95.04948	3.8
95.08591	9.4
97.06458	1.2
97.10126	0.9
98.20819	1.3
98.21496	0.8
105.07008	8.1
107.01295	0.5
107.04938	1.1
107.07938	0.5
107.08580	5.3
109.02833	0.5
109.06504	2.5
109.10162	3.1
111.08033	0.8
115.05392	0.7
117.07026	2.3
118.15891	0.5
119.08559	7.6
121.02798	1.5
121.06435	1.1
121.10125	4.6
123.04414	2.2
123.08015	1.8
123.11721	3.3
125.09580	0.9
126.10028	0.4
127.03846	1.5
128.06161	0.5
129.06920	1.8
131.03386	0.5
131.08546	3.2
133.10132	2.9
135.08002	0.9
135.11700	2.8
137.02325	29.3
137.03360	1.9
137.13214	0.5
139.03822	1.7
141.01772	1.9
141.07016	0.5
142.07736	0.7
143.08507	2.0
145.06415	0.8
145.10103	3.4
147.04329	1.4
147.07944	0.5
147.11673	5.1
149.02261	1.1
149.09500	0.9
149.13148	1.1
150.03056	0.7
151.03795	0.5
153.01805	4.3
155.08482	1.4
156.09242	0.7
157.10121	2.7
159.08076	0.5
159.11713	2.9
161.05975	0.5
161.13190	1.7
163.03854	2.8
163.11066	1.3
163.14737	0.7
165.01801	4.8
165.06877	0.5
165.12668	0.7
167.08487	0.7
169.06519	0.6
169.10121	2.7
171.04346	0.7
171.11626	1.8
173.05917	0.6
173.13237	1.1
174.53555	0.4
175.03856	1.4
175.14774	0.7
177.05484	0.5
177.12630	0.6
179.03337	1.5
181.10115	0.9
182.10893	0.8
183.02858	3.0
183.04179	0.6
183.11650	1.7
185.05908	0.9
185.13219	1.4
187.03860	1.0
187.11162	0.5
187.14777	1.3
189.01767	1.1
189.05392	1.3
189.16344	2.0
191.03297	1.7
191.17903	1.0
193.01236	0.7
193.12062	0.6
195.11615	1.0
196.12477	0.5
197.05894	0.6
197.13211	3.7
199.03708	0.5
199.10905	0.5
199.14780	1.6
201.05380	1.0
203.03331	1.0
203.17924	0.6
209.13205	0.8
211.14836	3.4
213.05467	2.3
213.16397	0.9
215.03300	0.8
215.07005	0.6
215.14169	0.8
215.17889	1.0
217.04930	1.7
219.02812	0.4
223.14856	0.9
225.16342	0.6
229.04845	1.7
229.19409	0.8
231.06392	0.9
238.70833	0.5
239.17918	0.6
241.04984	1.7
242.05647	0.7
243.06502	0.6
245.04372	2.3
255.02774	0.5
255.06294	0.5
257.04382	1.3
259.05960	1.9
265.19577	0.9
267.06458	0.8
267.15704	0.5
268.16190	0.7
269.04501	1.0
273.03885	1.5
274.04706	0.9
275.20016	2.1
279.21103	0.8
283.05969	1.0
285.03934	0.6
286.04663	0.8
287.05389	2.8
295.06073	0.9
297.03748	0.7
297.07532	0.5
299.05423	5.4
301.03418	0.9
302.04181	2.7
303.04962	24.0
311.05518	1.7
313.03683	0.8
313.06674	2.1
314.04074	1.0
315.04938	100.0
316.05704	6.7
317.06601	0.6
323.05380	0.7
324.06223	0.5
325.06973	1.0
326.04108	2.6
327.04950	8.1
327.08585	0.9
328.05652	0.7
329.02927	1.1
329.06503	5.4
331.04227	0.6
335.25632	0.6
337.06992	1.5
339.04938	12.6
340.05673	1.8
341.02811	3.9
341.06546	16.6
342.03708	1.4
343.04413	6.8
343.08160	1.0
351.08542	0.9
352.06070	0.5
353.06516	8.6
354.07214	0.5
355.04153	1.1
355.08136	1.6
357.05963	0.7
357.16382	0.4
364.05734	0.9
365.06491	6.3
365.10522	0.4
366.07413	0.9
367.08170	1.8
369.09839	0.5
377.06558	1.8
378.07123	1.0
379.08044	7.1
381.09854	0.6
383.11243	23.8
385.12756	10.5
386.23978	1.1
391.08197	0.9
392.08966	0.9
393.09576	2.9
394.10355	2.4
395.11209	40.6
397.09024	1.6
401.31830	2.7
405.09634	0.9
407.11203	10.4
409.12604	1.1
411.10736	4.0
413.12173	1.0
419.32922	1.6
421.12808	1.0
435.14554	0.6
459.27951	0.7
460.27649	1.9
463.17297	0.7
475.17545	0.5
477.28333	0.9
478.28619	2.6
479.16891	3.0
481.18820	0.8
491.16937	6.7
497.18362	0.9
503.17108	2.0
505.18457	3.2
507.16418	3.3
508.17172	2.0
509.17957	6.7
521.17975	14.4
523.19690	3.8
531.24072	0.7
541.21808	0.5
549.24951	2.4
559.23224	35.6
577.24255	77.7
578.24542	1.7
595.25262	13.7
595.36145	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	595.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55521	0.5
53.03933	1.6
55.01867	2.0
55.05507	23.4
55.05777	1.2
57.03428	2.9
57.07065	1.0
63.30629	0.6
65.03945	1.1
67.05497	18.7
68.06276	0.6
68.99773	0.7
69.03425	0.8
69.07063	6.7
70.22296	2.2
71.04973	0.9
71.06441	0.5
79.05485	11.8
81.03426	3.7
81.06572	0.8
81.07053	15.5
83.04970	1.0
83.08617	11.3
85.02866	0.8
91.05474	7.7
93.07034	12.3
95.04966	5.1
95.08599	20.2
97.02858	0.7
97.06521	1.1
97.10170	1.2
98.98437	3.1
105.07016	5.1
107.04966	1.7
107.08570	6.3
109.02861	1.3
109.06554	1.0
109.10141	5.6
111.08046	0.7
113.09625	4.2
117.07043	1.6
119.08585	3.9
121.02856	2.2
121.06532	1.1
121.10146	5.0
123.04443	1.0
123.08056	1.1
123.11710	1.8
127.03930	1.6
127.11204	1.0
129.06950	0.8
131.08575	2.8
133.02930	0.6
133.10173	2.0
135.08052	0.6
135.11697	1.6
137.02333	22.3
137.03371	1.4
143.08525	0.8
145.10136	1.8
147.04439	0.8
147.11629	1.8
149.02318	0.8
149.09602	1.7
149.13237	1.2
153.01868	3.5
155.05025	0.7
159.11685	1.0
161.02434	1.7
163.03902	2.4
163.11195	1.7
165.01869	1.9
167.03470	1.3
171.11693	0.5
173.02257	1.1
175.03923	1.3
179.03429	0.8
183.02948	1.2
185.05753	0.7
187.14812	0.9
189.01839	3.2
191.03421	1.7
193.04932	0.5
197.06041	0.9
201.05396	0.7
203.03397	1.7
207.02936	1.7
213.05560	1.6
215.06831	0.6
217.04944	1.8
223.13287	0.8
229.04987	2.1
237.05418	1.6
241.04927	1.3
243.06349	0.6
245.04517	1.5
246.05193	0.6
254.79962	0.5
255.06514	2.1
257.04453	1.6
259.06064	0.8
261.03680	1.0
261.22122	0.6
265.05011	2.2
267.06494	1.0
269.04349	0.7
271.06079	0.8
273.03909	1.7
274.04791	1.2
275.20111	2.4
281.04706	0.6
283.06110	2.5
285.03998	0.8
285.11096	0.7
287.05588	2.1
293.21027	0.9
299.05518	11.7
301.03323	3.3
302.04187	4.4
303.04953	25.2
311.05420	6.7
312.06256	0.8
313.03467	1.6
313.07059	2.5
315.04944	33.0
323.05548	1.5
325.07150	2.3
326.04282	0.8
327.04999	7.2
327.08588	1.0
329.03043	1.0
329.06396	4.9
335.25766	29.8
337.07043	1.1
339.04968	60.8
340.05695	2.9
341.06546	18.2
343.08127	1.8
353.06564	9.3
355.08118	1.8
358.16479	3.6
365.06281	1.2
366.07236	0.7
367.08151	1.3
377.14139	0.8
379.08200	1.8
381.09570	1.2
393.09518	0.8
395.14920	2.0
411.18167	0.7
423.14380	5.3
433.12701	1.5
439.17468	2.0
451.13843	37.7
453.15643	0.6
465.08856	0.5
465.15552	1.9
467.17065	4.5
469.14835	11.7
481.15027	2.3
483.16425	2.4
485.18243	0.9
559.23395	7.0
577.24274	86.4
578.24451	1.9
595.25311	100.0
596.25824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01867	0.8
55.05260	0.6
55.05507	8.7
57.03188	0.4
57.03436	6.6
57.07053	1.5
65.03924	1.2
67.05499	28.2
69.03426	1.1
69.07062	7.2
69.44241	3.6
71.04979	1.1
79.05486	15.5
81.03418	4.9
81.07050	26.5
81.54336	0.4
83.04961	1.3
83.08609	3.5
85.02903	0.9
85.06516	0.9
91.04950	0.7
91.05475	8.0
93.07033	18.5
95.04950	2.5
95.08598	22.5
97.06522	1.2
97.10134	1.1
98.98459	11.8
99.04454	0.5
105.07025	6.3
107.08587	8.6
109.02879	4.0
109.06492	1.1
109.10143	8.1
111.08064	0.7
117.06998	2.0
119.08566	5.0
121.06512	0.4
121.10145	6.6
123.11692	3.4
125.09670	0.5
127.03877	1.1
131.08566	3.2
133.10124	2.8
135.11688	4.5
137.02339	1.5
137.09628	0.8
137.13213	0.8
145.10097	2.5
147.11699	2.6
149.09618	0.9
149.13240	2.0
153.01813	2.0
155.01024	1.3
159.11685	1.8
161.13310	1.9
163.05988	0.9
163.11127	0.7
163.14828	0.6
165.12680	0.7
173.02193	0.8
173.13249	1.6
175.14827	0.6
187.14813	1.5
191.18103	0.4
197.13229	0.5
201.16447	0.5
217.04820	0.5
243.21132	0.8
245.04514	0.8
257.04489	0.4
261.03659	4.6
261.22171	3.0
273.03973	0.8
275.20013	1.2
277.21750	0.4
279.23297	0.5
301.03433	1.3
302.04199	1.9
303.04962	8.7
315.04990	1.9
317.24814	0.9
327.04953	0.6
331.31876	0.4
335.07291	1.4
335.25769	100.0
336.25952	1.9
339.04962	3.4
341.06403	1.2
343.07953	0.8
350.68259	0.5
353.06650	0.9
403.29776	0.9
433.30829	0.9
438.12729	0.4
451.13867	2.0
451.32294	0.4
452.91946	0.4
467.16916	0.5
469.15033	0.7
498.33951	0.5
541.21857	0.5
559.23035	3.1
577.24347	8.5
595.25244	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	596.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.0
68.99796	2.9
70.02943	5.8
71.60970	2.8
74.02420	1.9
76.03992	2.9
83.06100	12.0
83.67890	1.6
84.04494	27.2
97.02905	1.6
99.05553	3.3
109.02846	2.2
109.07607	4.0
111.04443	7.0
112.03960	9.5
112.04639	1.6
116.01650	3.0
119.04947	3.7
121.02886	1.8
123.04438	9.3
124.04756	3.2
127.03905	24.4
128.04236	4.7
129.06590	19.6
130.04993	41.7
135.02698	1.9
135.04407	4.8
137.00565	2.2
139.03888	96.7
140.04234	5.4
141.00002	2.9
145.06073	17.5
146.06059	1.9
147.04407	9.3
147.81293	1.8
148.05190	10.7
149.00534	10.2
149.04744	1.6
151.02078	2.5
151.03911	7.9
152.04263	1.9
153.03632	3.8
153.06552	6.3
155.01593	31.7
155.08150	6.2
155.23451	1.6
162.03767	4.4
162.05524	7.5
163.02136	11.4
163.03894	37.5
164.01581	2.5
164.04248	2.7
165.00043	5.1
167.01653	6.2
167.03372	2.6
175.03856	2.0
175.06276	4.4
179.01617	18.5
179.03288	4.3
181.03166	24.7
181.06126	2.7
182.02762	3.2
183.01103	5.0
183.04803	1.5
184.04298	4.3
188.07127	2.3
190.03247	5.0
191.03459	3.1
193.03104	2.7
193.04852	1.8
195.01114	2.1
196.04277	7.4
197.05582	2.2
199.07132	5.3
203.03401	2.6
207.01123	2.8
208.04262	34.5
209.02710	6.0
211.07089	1.7
213.05101	1.6
219.01111	3.3
220.04286	2.4
226.05318	7.0
229.03130	3.2
233.02725	1.8
236.03842	2.2
246.04785	2.8
247.06142	2.3
248.06294	1.6
257.02521	8.9
265.06354	2.3
269.04523	2.5
270.05286	8.1
282.04312	5.7
282.28381	1.8
285.02182	5.0
287.05588	4.9
287.07416	2.8
288.00851	2.7
288.05872	6.5
291.08649	2.8
292.09039	2.3
296.06772	2.3
299.06989	30.0
303.00604	2.3
303.03183	98.0
311.06924	100.0
312.05237	2.9
329.04755	5.0
329.08054	32.3
346.07291	3.1
353.07919	4.7
361.51608	1.9
364.08463	2.1
383.09039	25.8
410.09387	2.7
426.09146	4.5
428.10861	2.0
440.11182	3.6
449.10089	39.1
458.12277	53.0
467.11066	5.1
503.11157	22.2
515.11896	1.9
521.12286	18.3
578.14691	4.7
596.15155	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	596.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	17.5
56.05024	0.5
57.03424	0.7
58.99562	0.5
59.65218	0.4
65.03924	1.6
67.05515	0.4
68.28613	0.4
68.99774	1.0
69.03423	0.5
69.65169	1.5
69.65578	1.5
69.73318	0.4
73.02904	1.1
74.00665	2.1
76.02238	1.0
76.03998	2.0
81.03395	1.5
83.04993	0.8
83.05618	0.5
83.06096	8.4
84.04495	31.9
85.02872	1.1
88.04005	0.5
91.05488	0.4
93.03402	0.7
94.52145	0.4
94.58884	0.4
95.04937	1.0
97.02911	0.5
98.20731	0.8
99.02655	2.9
99.05577	1.0
102.05523	0.7
107.04953	0.6
107.06078	0.5
109.07658	1.0
111.00768	0.9
111.04424	1.9
112.03953	21.0
119.04878	0.7
121.02799	0.4
123.02629	0.5
123.04412	3.6
127.02128	15.6
127.03875	2.7
128.03378	0.6
128.04225	0.8
129.05594	0.7
129.06586	14.8
130.04987	81.3
135.02626	8.1
135.04280	0.8
137.02280	0.5
139.03885	64.6
140.04245	1.2
145.06067	1.1
147.02620	0.6
147.04376	1.6
147.07622	1.5
148.05156	0.9
149.00560	1.5
151.02138	1.8
151.03879	3.2
153.01804	0.9
153.03703	1.2
153.05484	0.8
153.06581	1.8
155.01596	27.9
155.08136	0.8
163.02127	12.3
163.03891	19.9
164.04364	0.7
165.00003	2.0
165.04071	0.4
165.05458	1.8
167.01633	1.5
167.03432	0.7
169.80280	0.6
175.02167	3.1
175.03619	0.7
177.03268	1.0
178.03218	1.5
179.01604	20.0
179.03261	1.1
179.04858	1.2
181.03255	4.6
181.06123	1.3
183.01093	44.0
189.00037	2.3
189.03638	0.6
191.01614	11.8
191.03265	0.7
193.03119	0.8
195.01128	2.1
196.04262	2.6
197.02753	0.6
199.07135	1.6
203.01613	7.5
203.03363	0.6
207.01118	2.5
208.04216	3.6
209.02644	15.5
211.07259	0.5
213.05429	1.1
217.03183	0.7
218.02617	1.0
219.01100	1.3
221.02654	1.7
226.05327	4.7
229.05162	0.8
236.03781	1.3
237.02130	2.5
241.04930	1.2
242.05681	3.8
245.04428	0.6
256.09338	0.4
257.04648	0.6
262.05286	1.2
269.04443	1.2
270.05225	4.0
274.04929	0.5
275.03720	1.3
281.05878	3.5
282.04294	12.0
283.04169	0.4
287.05334	2.2
288.05850	2.7
292.06381	1.1
294.04346	0.5
299.07025	2.2
303.03320	16.1
305.04886	0.5
311.06961	0.9
312.05338	10.2
320.05768	0.7
321.04175	1.0
329.07977	100.0
330.08286	1.8
346.07590	2.9
347.05930	2.5
353.07983	0.6
357.04361	1.0
364.08514	1.0
365.07870	1.1
383.09039	13.2
426.09024	0.8
428.10202	0.5
432.07504	4.1
434.11453	0.6
440.11383	2.5
441.09793	1.3
449.10101	10.2
452.10291	0.6
458.12241	75.4
459.12601	1.5
465.10114	1.6
467.11148	5.0
503.11215	4.2
521.12183	14.6
578.14148	2.3
596.15387	19.3
597.15503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44453	1.2
52.03153	1.3
53.03925	3.4
55.01875	1.8
55.05504	9.8
55.45011	1.1
55.62746	1.0
57.03424	7.1
57.07059	3.8
58.96829	1.0
65.03920	1.8
67.05499	67.9
69.03410	2.0
69.06763	1.1
69.07071	11.9
69.99621	3.0
70.00039	3.2
71.04972	2.3
73.02908	2.1
77.03905	1.3
79.05479	36.9
81.03401	4.3
81.07051	68.8
83.04929	2.0
83.08611	7.5
85.02888	3.0
85.06542	2.1
91.05468	20.6
91.06010	2.1
93.07034	51.7
95.04945	3.7
95.08600	64.6
97.02870	1.4
97.06515	3.5
97.10147	3.9
98.20822	2.3
99.04432	2.3
99.08083	3.0
100.25968	1.0
105.07024	17.7
107.08585	35.4
109.02864	4.6
109.06506	1.7
109.10147	34.2
110.03647	2.0
111.04407	1.8
111.08074	2.9
113.09647	1.2
117.07028	6.9
119.08563	15.6
121.10135	32.5
123.08067	1.2
123.11687	14.1
125.09618	1.4
127.03889	4.0
131.08554	17.8
133.10118	16.2
135.08069	1.4
135.11699	25.5
137.13199	5.2
139.11241	1.2
145.10118	15.3
147.11678	12.1
149.13255	20.2
151.14824	2.3
153.12773	1.7
159.11679	10.3
161.13217	11.3
163.11165	1.3
163.14798	13.6
164.99904	1.3
165.12715	3.2
173.13228	16.2
175.14812	4.5
177.12720	1.6
177.16348	7.2
179.14296	3.3
187.14821	9.3
189.16469	1.2
191.00081	5.4
191.14391	1.7
201.16382	4.5
205.15825	2.1
209.01178	1.5
215.17938	1.5
233.22626	4.2
235.99907	1.1
243.18692	1.0
243.21045	38.8
261.22119	100.0
262.19568	1.1
263.23553	1.9
279.23196	4.7
308.89056	1.1
317.24762	1.7
335.25781	29.3
353.26843	44.5
433.20334	1.5
451.21307	1.5
457.43494	1.2
469.22296	1.2
543.26300	1.2
561.27264	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	597.3024
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03938	1.0
55.01875	0.6
55.05256	0.8
55.05503	11.5
57.03431	6.7
57.07056	1.7
65.03921	0.8
67.05497	29.1
69.03413	1.3
69.07056	15.4
71.04962	0.7
71.64031	0.9
79.05485	9.1
81.03407	4.5
81.07045	26.8
83.04958	1.7
83.08604	8.2
85.02890	1.2
85.06516	0.9
91.05467	7.1
93.07027	8.7
95.04953	2.2
95.08594	19.4
97.06495	1.4
97.10156	3.7
98.98444	12.4
105.07023	5.1
107.05029	0.5
107.08572	4.9
109.02858	4.0
109.06527	0.8
109.10136	7.5
111.08041	0.9
117.06966	1.0
119.08556	4.9
121.10120	3.0
123.08049	0.8
123.11658	3.6
125.09592	0.9
129.06979	0.6
131.01848	0.5
131.08574	1.2
133.03419	1.0
133.10124	3.1
135.11665	1.9
137.02283	0.6
137.13245	1.3
143.01909	0.7
145.10132	0.6
147.07896	0.5
147.11673	2.8
149.13252	1.3
155.01041	1.4
159.11647	1.0
161.02946	1.3
161.13202	1.5
163.06013	0.8
165.53926	0.5
175.14833	0.7
177.05157	0.7
245.22673	1.2
257.04507	0.6
261.03696	3.6
263.20840	0.5
263.23651	2.2
301.20087	10.4
303.05014	4.3
315.04944	0.6
319.21042	3.5
335.07349	1.3
337.27316	100.0
338.27664	0.6
342.22696	2.1
353.06430	0.6
375.23679	0.8
389.38452	0.5
397.12573	2.2
426.41486	0.6
435.27594	0.9
481.26425	0.7
537.29309	3.6
561.24701	0.8
579.25757	2.2
597.38879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
57.03421	1.1
57.69289	0.8
60.04517	1.0
61.02917	1.9
69.03415	2.8
69.24385	0.7
69.38519	4.9
69.38944	3.1
70.06598	0.8
71.04978	1.3
74.06069	2.0
74.09702	1.1
79.05481	3.6
81.03408	14.7
81.07047	0.8
85.02893	10.2
91.05462	2.6
95.04949	2.2
95.85502	0.7
97.02896	4.4
98.21194	3.6
103.05460	2.0
105.07014	2.2
107.04939	8.2
109.02825	1.1
115.05428	6.6
116.06332	0.9
117.07006	17.8
122.03658	1.2
123.04412	3.7
124.05192	1.8
125.05936	1.2
127.03918	2.3
128.06212	1.6
129.06982	3.2
131.08536	4.2
133.06448	2.5
137.74574	0.8
141.06972	1.4
143.04898	1.0
144.05659	3.1
145.04826	1.6
145.06465	38.5
147.07985	1.2
152.04559	1.0
153.05435	1.4
155.06059	2.8
156.05693	7.1
157.06509	2.3
159.08060	7.0
160.05244	1.3
161.05954	5.1
162.07582	1.6
167.07021	53.8
172.05203	1.3
173.05965	65.1
174.06526	0.9
175.07555	2.2
177.05418	1.8
180.08682	4.4
181.04945	1.2
181.48384	0.8
183.06598	1.1
184.05167	2.3
187.07501	6.6
190.06218	35.3
191.07008	2.9
193.08603	3.5
202.06198	4.1
203.06966	6.0
205.08577	100.0
206.09102	0.9
207.06430	1.3
208.05363	1.0
211.07722	1.0
215.06990	1.1
217.08575	42.2
219.08170	1.5
219.10013	4.3
223.09612	3.6
231.08003	1.5
235.09616	31.7
247.07417	1.5
247.09624	6.9
248.08232	1.7
260.69394	0.9
262.10117	1.1
263.07068	1.2
263.10614	1.1
264.07825	1.9
265.10678	39.7
269.07968	1.8
271.09738	2.2
277.08383	1.0
279.10092	1.6
291.10153	2.0
293.08023	1.3
307.09540	1.3
308.10226	1.0
315.08566	3.8
323.12833	1.8
330.10962	6.7
331.11743	3.0
339.12326	1.1
343.11557	1.3
351.12198	4.5
369.13489	1.1
371.14868	2.3
383.14902	13.0
401.15979	12.6
491.13498	1.0
559.64954	1.0
598.23492	1.7
614.03326	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01866	4.3
55.05504	10.8
57.03426	4.2
61.02915	2.5
65.03920	0.9
67.05164	1.3
67.05496	17.0
69.03420	1.9
69.07057	10.9
70.24046	3.4
71.04971	2.0
71.70691	0.8
79.05483	20.7
79.05956	1.1
81.03407	3.1
81.07046	34.9
83.04974	4.3
83.08601	6.5
85.02917	4.3
85.06519	1.0
91.03938	0.8
91.05468	16.9
93.07034	15.0
95.04954	12.3
95.08591	11.8
97.02876	1.5
97.06512	2.5
97.10149	5.0
99.04433	1.1
105.06360	1.5
105.07007	13.7
107.04945	7.0
107.08575	10.2
109.06512	5.6
109.10146	6.7
111.04424	2.2
111.08067	2.9
115.05445	1.0
117.01038	1.5
117.06995	10.2
119.04947	1.1
119.08568	21.7
121.06492	7.3
121.10132	8.1
123.04416	0.9
123.08044	11.0
125.09622	5.1
126.66479	0.7
129.01033	1.1
129.07018	5.9
130.07784	1.1
131.04941	0.8
131.08540	10.9
133.00499	1.6
133.06480	3.4
133.10114	6.1
135.08037	5.9
135.11688	3.8
137.09622	4.4
139.03905	2.0
143.08530	6.3
145.06528	1.4
145.10106	13.7
147.08029	10.4
147.11687	2.5
149.09598	7.0
153.09084	1.4
155.08517	1.4
157.06488	0.9
157.10133	4.9
159.08073	2.2
159.11646	5.3
161.09566	8.2
161.13242	0.8
163.03825	0.8
163.11165	6.7
165.09081	1.5
169.10094	1.7
171.10262	1.8
171.11670	3.1
173.09567	1.8
173.13138	1.0
175.11223	3.6
177.09143	0.7
181.10110	1.1
185.13254	3.2
187.11168	1.5
189.11203	2.4
189.12813	1.0
191.10634	0.9
193.12314	0.9
195.11557	1.1
197.07324	1.4
199.11214	1.3
203.14247	1.2
209.13261	0.9
214.41495	0.8
217.01859	0.8
219.13785	1.1
223.13251	2.0
227.18016	2.5
237.02544	0.9
237.16403	1.7
245.19011	2.1
249.14867	4.4
255.17426	3.3
273.18469	23.6
291.19504	54.6
309.16098	4.4
311.18530	1.4
327.17236	2.1
347.22107	4.4
365.23209	24.0
383.15833	0.5
383.19797	22.1
401.20844	100.0
442.92535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09393	0.5
52.65772	0.5
53.03923	0.8
55.01854	2.1
55.05513	4.1
57.02560	0.4
57.03418	1.5
57.07066	0.5
65.03934	1.0
67.05497	3.4
68.99768	1.0
69.03413	1.6
69.07056	2.5
69.52097	0.4
69.87746	1.1
69.88158	2.1
71.04955	0.8
73.02898	1.4
79.05478	3.7
81.03398	1.0
81.07045	5.9
83.04967	1.8
83.08608	2.3
85.02906	2.8
85.06506	0.5
91.05460	4.1
91.42619	0.4
93.03388	0.7
93.07028	6.1
95.01289	0.8
95.04958	1.8
95.08590	5.0
97.02879	1.7
97.06503	0.7
97.10142	1.1
97.62460	0.5
103.05460	0.7
105.07027	5.0
107.04931	0.7
107.08579	9.8
108.66227	0.4
109.06483	1.1
109.10153	2.7
111.04419	4.1
113.02367	0.8
115.05433	0.5
117.06989	1.3
119.08572	5.0
121.02953	0.5
121.06525	1.0
121.10137	6.5
123.04384	2.8
123.08063	1.1
123.11671	1.3
125.09584	0.8
127.03920	0.6
129.07004	0.7
131.03348	0.6
131.08528	2.1
133.10117	3.1
135.11693	2.3
139.03888	100.0
140.04227	0.7
141.01819	1.2
141.06978	0.6
143.08582	1.7
145.06441	0.9
145.10141	2.7
147.08086	0.5
147.11676	2.4
149.05974	1.1
149.09619	3.9
149.13292	1.5
151.03908	1.6
153.01901	0.8
155.08495	0.9
157.10133	1.5
159.11719	3.1
161.05943	2.5
161.13248	1.9
163.03874	7.0
163.07516	1.1
163.11194	0.7
167.07111	0.6
167.08563	0.7
169.10104	1.0
171.11688	1.9
173.06006	4.4
173.09595	0.7
173.13223	1.8
175.07549	1.5
175.14818	1.0
177.05537	0.8
177.12735	1.6
181.04922	0.5
183.11655	0.9
185.13246	1.4
187.07518	3.0
187.14825	1.5
195.08096	0.7
195.11703	0.8
197.05972	0.8
197.13237	1.0
199.07550	2.2
199.11227	0.5
199.14758	0.9
201.05486	0.8
201.09055	1.9
201.16423	1.3
207.11766	0.6
209.13345	0.7
211.07608	2.7
211.14749	1.0
213.05568	0.7
213.09109	1.8
213.16393	1.0
215.17905	0.9
217.15831	0.4
219.10265	0.6
223.07516	1.1
224.08318	0.8
225.09006	0.9
225.16499	0.9
227.06949	1.0
227.10617	0.7
227.18001	1.0
229.15833	0.6
229.19490	4.0
235.07487	0.5
238.09924	0.5
239.07079	0.6
241.19452	0.8
249.16188	0.6
251.10718	0.7
251.18025	1.0
253.19510	0.6
255.21033	1.1
257.22723	2.5
265.19330	0.7
267.13788	0.9
267.20984	0.6
269.19009	0.5
271.05963	1.1
277.19455	0.7
283.05984	0.7
285.14911	1.0
289.19827	0.6
295.05795	0.6
299.05499	0.7
303.15912	2.0
309.07611	1.0
311.08942	0.6
313.14423	1.2
315.15674	0.7
318.01865	0.5
323.16104	0.6
331.15359	1.0
339.15814	0.7
344.24960	0.5
372.28113	0.6
385.23578	0.8
387.30423	8.2
391.22556	0.7
395.22256	2.1
397.15677	0.5
397.23822	0.9
401.21225	0.6
401.34167	0.5
405.31445	6.6
407.22165	1.4
409.23828	1.2
411.14319	0.8
413.23340	2.7
415.24661	0.6
419.22156	2.2
419.34811	1.5
421.16452	1.2
425.23102	4.9
431.24283	2.4
437.23282	2.2
439.13312	0.9
443.24344	0.8
457.14099	0.6
465.19000	0.6
481.60010	0.5
545.24951	1.7
563.26617	2.9
581.26837	0.6
581.35059	3.8
599.36346	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	599.2843
Annotation	HEMATOPORPHYRIN
Peak:m/z	Relative Intensity
53.03938	0.8
53.93747	0.5
55.01856	1.4
55.05502	3.8
57.03410	0.7
57.07064	0.6
65.00989	0.5
65.03931	1.4
67.05498	5.6
67.40639	0.5
68.99776	2.2
69.03417	1.3
69.07051	3.1
69.77676	0.4
70.30009	0.9
70.30396	0.9
71.04965	0.6
77.75119	0.6
79.05485	4.9
81.03413	2.6
81.07047	10.8
83.04965	2.8
83.08601	2.4
85.02886	1.0
91.05470	4.1
93.03353	0.8
93.07055	3.3
95.04961	4.4
95.08599	2.9
97.06509	0.9
97.10168	2.2
105.07037	4.0
107.04941	1.6
107.08560	4.6
109.06489	1.8
109.10140	2.0
111.04430	4.9
111.08051	0.9
116.71744	0.6
117.07062	2.6
117.07722	0.5
119.04897	0.8
119.08576	5.2
121.02861	0.8
121.06502	1.6
121.10114	3.2
123.04405	3.2
123.08041	1.3
125.09618	1.8
127.03898	1.9
129.07016	1.5
131.08546	2.8
133.06461	0.9
133.10110	1.9
135.04359	1.1
135.08060	1.5
135.11678	0.8
137.05951	0.8
139.03886	100.0
140.04234	1.0
141.06940	0.8
142.07664	0.6
143.08495	1.0
145.06461	0.6
145.10139	3.3
147.04424	0.7
147.08029	2.5
147.11702	1.4
149.05957	0.9
149.09601	1.8
151.03848	0.7
157.10118	1.5
159.08049	1.0
159.11671	0.8
161.06018	1.3
161.09576	1.3
163.03889	31.5
163.11140	1.2
165.09167	0.7
171.11787	1.0
173.05957	1.0
173.13254	0.8
175.07701	0.5
175.11075	0.6
177.05475	0.6
178.18405	0.7
184.07346	1.4
185.13231	0.9
189.11223	0.8
211.13274	1.2
223.13226	0.6
227.07068	1.0
227.10727	0.6
241.04904	1.6
243.06471	1.3
249.14700	0.8
255.06386	0.7
271.06018	6.4
273.07507	2.4
273.18500	3.6
283.05920	0.8
289.14328	1.0
291.16443	1.1
291.19528	16.3
303.05151	0.7
309.07504	1.3
323.08884	0.8
393.17120	0.6
395.22198	1.1
413.22986	1.0
421.16284	6.5
431.24359	1.2
435.17639	0.8
437.23181	1.3
439.17462	3.0
465.18997	1.2
481.18503	1.4
527.24255	0.7
545.25415	6.7
563.26343	25.5
563.35101	1.3
581.27338	12.7
599.41071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03825	0.8
51.73186	0.9
53.03929	2.0
53.37811	0.9
54.59176	0.9
55.05508	6.2
57.03425	1.4
57.07076	5.2
57.59581	0.9
59.04990	3.0
65.03925	1.8
67.05492	12.8
69.03417	8.7
69.07052	5.8
69.33120	1.3
69.33517	10.5
70.21258	0.9
71.04984	1.6
74.00858	0.8
75.90456	0.9
77.03898	0.9
79.05484	12.5
81.03395	1.3
81.07047	15.1
83.04974	9.9
83.08602	4.0
85.06529	5.2
87.04463	1.2
90.64376	0.9
91.05466	19.9
93.07032	22.1
95.04955	10.0
95.08598	11.9
95.09164	1.6
97.06506	4.6
97.10153	1.1
98.20716	1.6
102.88400	0.9
103.05410	1.2
105.07018	29.6
107.04939	2.0
107.08588	22.6
109.06507	10.6
109.10131	8.6
111.08086	2.0
115.05466	2.0
115.31499	0.9
117.06993	8.3
119.08568	28.6
121.06480	8.9
121.10133	24.0
123.08045	11.7
123.11667	2.4
125.05998	2.8
125.09621	5.5
128.06215	5.2
129.06979	9.2
130.07777	3.0
131.08562	17.4
132.09396	1.3
133.06471	3.7
133.10112	16.8
135.08041	11.1
135.11647	5.1
137.05916	1.5
137.09587	5.9
139.07504	1.9
139.11160	1.1
141.06993	4.1
142.07770	10.6
143.08539	19.3
144.09334	4.1
145.06456	1.3
145.10114	20.4
146.07277	1.1
147.08046	11.7
147.11674	5.9
148.08865	1.0
149.09607	11.7
151.07532	9.6
153.09036	1.6
154.07776	1.1
155.08542	6.0
156.09314	6.5
157.10118	19.9
158.10948	2.9
159.08022	7.9
159.11697	13.1
160.08801	1.7
161.09560	6.2
161.13281	3.9
163.11147	6.9
165.06950	2.5
165.09113	16.5
167.08585	4.9
167.10657	12.1
168.09358	3.6
169.10091	11.1
170.10948	4.6
171.08096	1.6
171.11668	15.0
173.09628	6.0
173.13228	8.4
174.50288	0.9
175.11124	6.3
175.14847	1.5
176.19208	1.0
177.09137	3.4
177.12787	1.3
179.08543	4.9
179.10643	1.1
180.09348	2.8
181.10147	7.3
181.12256	4.1
182.10968	4.0
183.08051	1.5
183.11668	12.5
185.09700	2.5
185.13211	5.5
187.11159	3.2
187.14813	2.3
189.12682	6.3
191.10616	1.2
191.14323	2.2
192.09296	1.8
193.10156	6.4
194.10951	3.9
195.11664	9.5
196.12340	2.1
197.13263	11.0
198.14005	1.2
199.11194	3.5
199.14784	2.6
201.12730	2.3
201.16223	1.1
203.08531	1.2
203.14223	5.6
205.10031	1.4
206.10884	3.5
207.11722	8.0
207.13820	7.5
208.12491	2.5
209.13263	8.2
209.15370	3.1
210.10481	1.7
210.14136	1.4
211.11247	3.1
211.14885	3.2
213.12701	2.7
213.16225	1.3
215.14345	3.2
218.10916	1.8
219.11720	2.7
220.12503	2.6
221.13246	6.2
221.15288	30.6
222.14117	1.5
223.11238	1.3
223.14864	4.4
225.12813	2.6
225.16321	2.3
227.14336	2.1
229.12253	1.2
229.15895	1.2
231.11720	2.5
233.13184	2.5
233.15306	22.5
235.14851	3.6
237.12590	1.5
237.16515	2.0
239.18018	1.1
241.15910	2.1
243.11653	1.3
245.13246	2.3
247.14821	2.6
247.17041	2.0
249.12872	1.1
249.16302	2.7
251.14366	1.2
253.15840	1.6
255.17569	1.3
258.14227	1.4
259.14713	2.0
260.15503	1.1
261.16351	2.0
261.18890	1.1
263.17981	1.9
265.16083	1.5
267.17426	1.1
269.19049	2.2
273.16202	2.1
275.17783	1.5
281.18979	5.3
285.18622	1.9
286.19238	1.7
287.20236	2.4
289.19540	1.2
293.18875	1.4
295.20316	1.4
299.20148	3.2
301.21671	1.0
347.24329	1.1
359.23590	1.4
364.23984	1.9
365.24780	2.5
373.25348	2.1
377.24536	1.5
391.26279	3.1
441.29504	2.3
471.32452	1.2
489.33585	3.2
493.33313	2.4
507.34665	66.8
563.39136	1.4
581.40125	5.4
599.40906	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49409	0.6
53.03915	1.4
55.01826	0.8
55.05499	4.2
57.07067	7.0
57.59748	0.5
59.04958	2.5
62.26342	0.5
65.03909	0.8
67.05497	8.6
69.03416	6.6
69.07057	3.6
69.48704	4.8
70.13525	0.5
71.04972	0.6
77.03863	0.7
79.05476	8.3
81.03380	1.5
81.07042	11.7
83.04971	2.9
83.08581	1.2
85.06533	4.3
85.83170	0.6
91.04958	0.8
91.05466	12.0
93.07028	18.4
95.04459	0.5
95.04952	7.2
95.08037	0.9
95.08589	11.5
96.08959	0.9
97.06535	3.5
98.20745	1.3
98.21397	1.6
103.05424	0.7
105.07014	22.8
107.04864	1.0
107.08575	12.8
109.06496	6.2
109.10130	6.1
111.08040	1.2
113.42748	0.7
115.05400	1.0
117.06997	5.0
119.04905	0.9
119.08562	27.3
121.06507	4.0
121.10135	13.7
122.07266	0.9
123.07194	0.7
123.08056	12.5
123.11649	1.0
125.05966	3.0
128.06166	1.6
129.06969	4.9
130.07713	1.7
131.08545	10.0
133.06422	2.1
133.10106	13.5
135.08034	9.5
135.11632	5.1
137.05969	1.0
137.08632	0.9
137.09595	12.7
139.07472	1.8
141.06905	2.2
142.07764	5.9
143.08545	9.9
144.09276	1.9
145.06412	1.3
145.09021	1.0
145.10100	14.6
147.04314	1.0
147.08026	23.4
147.11664	3.5
148.08734	0.9
149.09599	4.8
151.07521	10.3
151.11064	0.7
153.06973	0.7
154.07761	1.3
155.08505	6.0
156.09311	5.1
157.10098	16.7
158.10812	1.1
159.08032	3.1
159.11665	9.4
161.09599	7.3
161.13223	6.1
163.11153	7.6
165.09093	50.4
167.08505	1.5
167.10590	1.0
168.09285	2.3
169.10098	8.3
170.10886	3.1
171.11644	8.8
172.08751	0.7
172.12308	0.7
173.09608	4.3
173.13176	3.4
174.10252	1.1
175.11182	3.4
175.14812	2.0
177.09081	2.1
177.12773	0.9
179.08554	1.4
179.10698	0.7
180.09288	1.3
181.10083	4.0
181.12195	7.2
182.10840	3.1
183.08012	0.7
183.11671	10.2
184.12395	0.8
185.09560	1.4
185.13220	7.1
187.11174	3.3
187.14771	2.6
188.11919	0.9
189.12727	3.7
191.08832	0.5
191.10574	3.4
191.14282	1.4
193.10052	1.6
193.12192	0.7
194.10820	1.6
195.11650	3.9
195.13736	1.5
196.12439	1.5
197.13197	4.3
199.11107	2.6
199.14822	1.2
201.12733	2.0
203.14291	17.5
205.10046	0.6
206.10875	0.8
207.11656	3.3
207.13765	6.0
208.12459	1.6
209.13260	5.0
209.15154	1.2
210.14024	0.9
211.11131	1.6
211.14751	7.1
212.11771	0.7
213.12733	2.3
213.16290	0.6
214.98219	0.8
215.14232	0.9
219.11646	1.1
219.13609	0.9
220.12340	0.9
221.15323	100.0
222.15726	0.9
223.11133	1.1
223.14825	2.7
224.11873	0.5
225.12741	1.4
225.16386	1.6
227.14243	1.5
227.17863	0.8
229.12224	1.4
229.15823	2.0
231.13768	1.5
232.12442	0.8
233.13196	2.0
233.15294	2.2
235.14719	1.4
235.16870	0.8
237.12631	0.7
237.16423	1.5
239.17905	1.2
241.15915	0.7
243.13750	1.4
247.14752	1.0
247.16905	16.2
249.16312	1.3
251.14157	0.8
253.15797	0.8
255.13770	0.9
255.17413	0.6
261.16187	1.4
261.18594	0.8
263.17932	1.2
265.15768	1.1
267.17435	0.6
269.18893	1.1
271.16870	1.1
275.20099	0.9
281.18997	2.1
285.18488	0.9
286.19278	1.0
287.19986	6.1
299.19998	6.8
301.21530	1.6
303.20081	1.1
311.19931	1.3
313.21634	1.7
324.20972	0.8
325.21588	1.4
327.23242	2.5
339.28128	1.0
351.23077	0.7
365.24719	4.4
373.24857	0.9
391.26282	10.8
413.26572	1.4
419.29324	3.6
427.28491	6.7
441.29691	0.7
443.14313	0.8
453.29892	1.9
493.33099	0.9
507.34631	8.8
519.34772	2.0
539.29443	0.8
581.39838	2.3
599.40857	83.3
600.41064	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	600.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46712	0.2
55.05484	0.4
57.03422	0.4
67.05483	0.3
68.24760	0.2
69.03410	0.9
70.06576	0.4
70.65155	0.2
71.04969	0.4
71.61597	0.3
81.03406	0.4
83.04933	0.3
85.02901	1.9
91.05455	1.1
97.02864	0.7
100.11226	0.8
105.07003	0.8
107.04921	0.9
111.04417	0.4
115.05445	1.1
116.06178	0.3
117.06995	1.0
119.04965	0.4
119.08589	0.3
125.48589	0.3
128.06207	2.0
128.07033	0.4
129.06982	5.0
131.04906	0.3
131.08553	6.4
133.06464	1.2
133.10115	0.3
137.06035	0.4
140.21556	0.3
141.06941	1.9
142.07753	0.7
143.08542	1.4
144.05687	2.1
145.06476	1.8
146.07225	0.5
147.04417	0.4
147.08012	0.3
153.06946	0.7
156.05678	0.3
157.06471	2.7
158.07249	0.8
159.08038	11.5
160.05231	0.3
161.06010	0.5
161.09601	3.4
167.06998	1.6
169.06345	0.3
169.07637	0.6
170.07217	1.8
171.07996	2.6
172.05168	0.7
173.05983	1.1
173.09637	0.4
174.06717	0.8
175.07552	0.9
178.06204	0.4
181.04854	0.4
181.08665	0.3
182.15349	0.6
183.15680	0.5
185.05948	0.3
187.07523	8.9
187.09140	0.5
188.08371	0.3
189.05479	0.7
189.09082	3.9
190.81802	0.2
191.06978	0.4
192.07675	0.3
193.08495	0.4
198.06746	0.8
199.07518	1.2
201.05412	0.4
201.09152	0.4
203.06993	1.7
204.07800	5.0
205.08578	1.3
209.04517	0.3
210.14886	1.0
211.15196	0.7
216.05922	0.3
216.07719	1.6
217.08609	0.4
218.09325	0.7
219.10172	2.5
221.08177	0.6
221.11754	1.6
231.10175	2.8
233.11719	0.9
234.08679	0.5
237.11183	0.8
249.11197	100.0
250.11493	0.7
251.12787	1.9
263.04083	0.3
267.12292	2.6
281.67850	0.2
287.05582	0.4
288.05893	0.3
289.05963	0.5
290.06320	0.3
345.04459	0.5
500.14572	0.3
582.40125	0.4
586.76111	0.3
599.41992	0.8
600.41797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.6
53.92172	0.2
55.01804	0.9
55.02050	0.4
55.05443	2.5
56.04988	0.4
57.03377	0.4
58.99516	0.9
58.99802	0.3
65.03896	0.5
67.05427	6.6
67.05814	0.5
68.04985	0.3
69.03374	0.5
69.06990	2.7
69.79807	0.5
69.80214	1.2
71.04918	0.6
73.01087	0.3
74.00660	2.1
76.02151	1.4
76.03951	0.6
79.05486	5.7
79.05904	0.3
80.04997	1.4
81.03337	0.7
81.07047	16.8
82.06535	0.5
83.04972	1.5
83.06087	1.7
83.08530	2.2
84.04494	4.2
85.01044	0.9
85.06467	0.4
86.00564	0.9
86.99014	0.3
87.02623	0.5
88.02150	0.4
89.98613	0.2
91.05468	5.3
93.05745	0.4
93.07037	5.9
94.06490	0.9
95.04964	2.1
95.08598	8.4
95.09149	0.4
96.08099	0.3
97.01099	1.3
97.06440	0.8
97.07005	0.3
97.10092	0.3
98.21138	0.7
99.01420	3.6
99.02618	0.7
99.05484	0.8
99.07996	0.3
100.02194	5.7
102.05430	0.3
105.07024	6.3
106.06461	0.7
107.04954	1.1
107.08591	3.8
107.75233	0.3
108.08009	1.0
109.06499	3.9
109.10152	2.6
110.09629	0.3
111.02570	1.0
111.04353	0.3
111.07994	0.6
112.02183	6.5
113.00555	0.4
113.02979	1.2
113.04148	0.7
114.03746	6.5
115.05501	0.3
116.01640	1.8
117.06998	1.7
119.08560	4.3
120.08028	1.0
121.06409	1.1
121.10139	2.3
122.09656	0.4
123.02557	0.9
123.07951	0.9
123.11578	0.9
124.02104	0.3
125.04125	0.9
125.09560	0.5
126.03723	2.5
128.94687	0.2
129.06546	1.9
130.05005	1.3
131.08568	2.8
131.57359	0.2
132.08035	0.3
133.06413	0.4
133.08693	0.2
133.09023	0.2
133.10104	3.4
134.09581	0.6
135.02568	0.4
135.05460	0.3
135.07993	1.1
135.10408	0.3
135.11591	1.2
136.03908	0.4
137.04100	0.7
137.09554	0.7
138.03719	2.2
139.02150	0.5
139.02997	0.4
139.03854	0.8
139.05647	0.8
140.05270	6.1
141.05937	0.3
141.06987	0.3
142.03174	0.3
142.06779	0.3
143.08453	0.7
144.01062	0.3
144.09229	0.3
145.06021	0.6
145.10123	2.4
147.07957	0.6
147.11673	3.5
148.11125	0.3
149.09598	1.3
149.10590	0.2
149.13248	1.7
151.03891	0.3
151.05701	0.5
151.11069	0.5
152.05264	2.0
153.06505	0.7
154.06839	1.7
157.10036	0.7
158.02696	0.3
159.08008	0.3
159.11687	1.2
161.09564	0.4
161.13156	0.6
162.02226	1.2
163.03618	0.3
163.11154	1.3
163.14713	0.8
165.07234	0.5
165.12648	0.6
166.06787	1.2
167.05206	0.3
168.08406	13.2
169.04198	0.3
169.08624	0.3
169.10094	0.5
171.11597	0.9
173.09399	0.3
173.13237	2.0
175.11128	0.5
176.14322	0.2
177.07333	0.5
177.12747	0.2
179.04749	0.8
179.08868	0.3
180.08383	0.3
181.06026	0.8
185.03781	1.7
187.05251	0.7
187.11040	0.4
187.14714	0.3
189.03227	0.5
189.12685	0.3
191.14198	1.0
193.05956	0.3
193.12132	0.3
201.12570	0.4
202.04076	1.3
203.04808	0.4
205.12125	0.3
206.15590	0.3
207.13643	0.4
209.09167	0.3
209.15327	2.0
210.14784	0.3
215.04791	0.6
216.05658	2.1
218.15289	0.3
219.13718	0.3
221.09827	0.3
222.14902	0.4
229.06375	0.3
230.15266	0.2
231.04317	3.4
233.05757	0.8
233.93417	0.3
236.14507	1.2
236.16621	0.6
241.06322	0.9
247.20401	0.4
248.16322	0.4
255.07932	2.6
256.08713	0.5
257.18933	0.8
258.05829	0.3
264.14148	6.8
265.12439	0.5
265.14948	0.7
269.09546	2.0
270.10303	6.2
271.11087	1.3
275.20029	6.2
281.14438	2.0
282.15198	29.9
283.15442	0.6
292.22653	0.5
293.20987	1.6
299.20007	0.3
308.09055	1.0
321.16711	0.2
323.16000	0.6
323.20126	0.3
324.19928	0.3
332.20438	0.7
333.18716	2.0
339.17307	0.8
350.21448	9.2
351.19839	2.6
368.22504	11.5
369.22748	0.3
378.20969	0.9
383.16348	0.3
384.17096	11.1
385.17868	2.4
435.23355	0.5
453.24149	100.0
454.24503	2.0
479.25830	0.7
507.25156	0.7
525.26270	4.5
582.28290	1.8
583.27026	0.5
600.29492	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	600.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.05508	7.5
62.27043	1.1
67.05492	5.3
69.07058	2.7
71.04948	1.3
71.62128	1.8
74.24472	1.2
79.05499	3.4
81.03377	1.4
81.07056	6.3
83.04974	1.7
83.08611	9.7
85.02876	1.7
91.05463	3.8
93.07050	3.2
95.04963	2.7
95.08591	12.5
97.10162	1.7
98.21267	1.4
105.03384	1.3
105.07027	2.3
107.08594	3.4
108.10695	1.0
109.10158	3.7
111.08042	2.3
113.09631	3.3
117.07010	2.2
119.04933	4.5
119.08540	1.6
121.10114	1.8
123.04412	87.6
123.08032	1.7
127.11143	2.0
135.04391	1.7
137.05968	1.8
137.09660	1.3
139.03854	8.3
147.04396	19.9
151.03882	11.4
153.05412	5.6
159.11690	1.7
161.05951	1.3
163.03882	7.7
165.05434	7.5
167.06976	1.2
175.03891	3.6
177.05473	10.6
179.07007	5.2
187.03868	3.8
189.05489	2.4
191.07007	2.1
219.13579	1.3
241.12134	2.9
259.13275	8.8
271.13199	1.3
275.16336	4.5
285.07437	1.6
287.12671	6.9
289.14435	1.5
299.12775	6.5
303.15771	1.3
317.13791	3.7
368.65271	1.5
385.23331	3.1
413.23331	3.2
421.16586	2.7
425.23236	6.3
431.24231	100.0
432.24722	2.1
439.17508	3.8
443.24341	6.2
506.63428	1.4
547.26746	2.9
565.27820	3.1
600.40979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.8
55.01855	2.2
55.05494	4.5
57.03444	1.4
57.73543	1.2
58.14182	1.3
65.03917	2.2
67.05499	8.9
69.03390	1.1
69.07052	5.7
71.61236	2.5
77.03914	1.6
79.05478	6.6
81.03381	2.3
81.07039	18.3
83.04982	2.7
83.08604	2.0
85.02902	2.0
91.05476	10.0
93.07030	8.2
95.04936	4.3
95.08607	8.3
95.14903	1.2
97.06493	1.5
105.07017	6.4
107.04955	2.6
107.08588	5.2
109.02876	1.5
109.06489	3.2
109.10154	3.6
117.07048	1.6
119.04930	5.0
119.08563	7.8
121.10098	6.3
123.04412	100.0
123.11685	4.2
131.08566	3.9
133.06502	2.0
133.10117	4.9
135.04401	2.3
135.11668	2.3
137.05972	3.6
139.03883	15.4
141.06903	1.3
145.10133	3.4
145.77327	1.3
147.04385	17.7
147.11674	5.9
149.05949	1.8
149.09572	2.2
151.03880	57.4
151.07530	1.4
153.05452	13.1
155.08493	1.6
157.10127	3.2
159.11685	2.0
161.05923	3.0
161.09583	1.3
163.03885	11.0
163.11111	1.7
165.05466	11.6
165.12733	1.4
171.11688	1.3
173.05920	2.8
175.03897	4.5
175.07555	1.4
177.05429	16.1
177.08980	1.6
179.03374	35.1
179.04898	2.4
179.07031	2.8
185.09677	1.9
187.03964	2.5
189.05475	7.6
189.10948	1.3
191.03358	1.3
191.10643	1.4
193.05009	2.8
197.06107	1.3
201.05453	2.6
201.08997	2.2
203.03381	2.1
203.07033	2.7
205.04987	4.5
205.08629	1.6
213.05443	1.3
215.07039	1.9
217.08537	2.4
219.10144	33.4
221.11702	21.6
222.47009	1.2
227.07039	1.8
227.71831	1.6
229.08551	3.1
231.10146	20.7
243.10182	2.8
245.11827	1.7
247.09729	2.5
249.11137	10.9
254.85818	1.5
255.10178	2.1
273.11255	1.6
275.20105	1.7
283.15094	3.6
284.15506	2.9
285.07584	2.5
287.16455	2.3
299.16446	2.9
309.07608	1.8
339.17447	1.5
340.17978	1.3
363.12256	3.6
364.12897	2.0
365.13824	2.3
367.22745	3.1
374.23883	3.5
377.13849	3.3
382.89380	1.3
383.14871	1.9
385.23785	5.7
395.22064	2.8
407.22031	3.8
413.23172	58.4
414.23581	1.7
417.76141	1.4
425.23203	15.0
431.24246	98.8
437.23190	2.9
529.26019	3.7
547.26813	26.5
565.27905	8.5
600.34247	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78856	2.8
55.05478	4.9
57.07053	8.0
59.05004	3.9
67.05492	10.8
69.03411	7.8
69.07046	6.1
70.30367	4.9
70.30750	7.6
75.00555	2.7
79.05482	10.1
81.07047	16.9
83.04958	6.5
85.06528	5.8
91.05466	21.8
92.06292	2.4
93.07038	26.2
95.04971	8.3
95.08595	17.0
97.06492	3.5
105.06381	3.3
105.07024	46.5
107.04897	2.5
107.08579	17.7
109.06490	12.5
109.10137	4.6
115.05452	2.9
117.07001	10.7
119.08572	52.4
120.09225	2.9
121.06461	5.1
121.10128	18.3
123.08043	18.0
125.05971	10.5
129.06969	5.3
131.08560	19.3
133.06491	3.5
133.10112	23.6
134.10818	2.8
135.08035	18.2
135.11646	7.4
137.09604	12.3
142.07764	7.8
143.08540	16.0
145.10117	31.2
147.08041	24.7
147.11676	6.1
149.09612	13.3
150.65421	2.6
151.07521	10.1
155.08499	6.9
156.09322	9.8
157.10132	28.8
158.10841	3.8
159.08073	4.4
159.11662	22.5
160.12335	3.5
161.09633	12.2
161.13248	6.2
163.11166	26.2
165.09111	51.5
167.08525	5.3
168.09270	4.4
169.10007	16.0
170.10803	8.1
171.11655	15.7
172.12334	5.4
173.09563	8.1
173.13264	5.2
175.11172	14.2
177.09071	3.8
179.08501	3.5
180.11412	5.4
181.10153	3.8
181.12225	21.8
182.10847	4.8
183.11665	12.4
184.12541	4.9
185.09610	3.3
185.13206	10.3
187.11174	6.5
189.12730	11.8
190.13455	9.1
191.10603	6.9
192.09288	3.1
193.10223	3.5
193.12268	11.1
194.10942	5.4
195.11636	7.5
197.13193	10.1
198.14101	2.9
199.11111	7.5
201.12746	10.0
203.14302	21.2
204.14642	3.7
206.91208	2.9
207.13774	12.3
208.12563	3.4
208.14580	7.5
209.13362	6.2
211.11107	4.3
211.14792	6.6
212.15446	5.2
213.12735	4.4
215.14268	3.6
219.13797	11.4
221.13441	5.6
221.15347	100.0
222.15694	9.1
223.14827	3.6
225.12674	4.4
225.16336	3.4
229.15857	4.4
233.13222	3.6
233.15309	3.7
234.13931	4.1
234.16061	20.1
237.12756	4.5
239.14294	3.3
243.13902	3.2
245.15446	3.8
247.16931	34.1
248.17555	5.6
249.16142	3.3
251.14372	4.0
253.15742	4.0
259.17010	5.7
267.17447	3.0
269.15329	4.8
271.17032	4.3
273.18536	3.2
274.19324	16.3
279.17593	3.1
286.19229	5.0
287.20090	13.7
297.18298	6.4
299.20032	16.6
309.18457	3.1
311.19986	3.6
312.20859	10.0
313.21671	11.4
325.21698	19.8
337.21591	3.3
339.23163	7.3
340.23865	15.9
352.23950	27.3
387.25327	4.4
392.26718	4.3
397.77655	3.2
400.26138	5.8
413.26709	5.5
419.29349	5.3
420.30048	5.0
425.26730	10.5
426.27609	6.4
427.28732	16.9
440.29175	53.5
442.31003	3.4
462.86615	3.5
508.34854	6.3
520.35400	42.5
521.36377	3.7
600.41486	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72509	8.8
55.05502	14.4
61.48221	10.4
67.05505	11.8
69.33354	18.3
69.33752	98.7
79.05473	14.4
81.07079	14.6
91.05466	28.9
92.86823	10.6
93.07034	30.6
105.07032	43.0
107.08550	21.5
109.06516	20.0
119.08588	33.4
121.10145	16.1
123.08113	17.6
125.05956	15.7
131.08539	22.8
133.08522	14.8
133.10110	19.1
135.08083	21.3
142.84120	8.5
143.08586	15.0
145.10110	35.0
147.08029	29.4
149.09592	10.6
151.07477	11.6
157.10063	22.6
159.11708	32.7
161.09622	11.8
163.11128	19.2
165.09099	51.0
171.11713	18.1
173.33495	11.4
181.12233	12.7
189.12743	9.6
193.12318	13.0
197.13347	11.8
203.14352	22.1
211.14795	11.8
221.13290	17.6
221.15318	100.0
247.16922	33.4
299.19943	23.3
352.24002	28.9
362.41846	10.9
440.29083	25.1
456.12003	10.7
520.35443	33.7
600.41583	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03932	2.9
55.01865	7.5
55.05504	22.3
57.03417	2.3
57.07071	3.6
59.04988	1.3
65.03929	1.7
67.05495	26.0
69.03426	5.4
69.07055	12.8
70.16292	3.2
71.04980	1.8
71.08595	0.7
79.05481	27.4
81.03407	8.6
81.07047	52.5
83.04966	10.1
83.08135	0.8
83.08603	12.3
85.02876	1.9
85.06524	2.4
85.57106	0.7
87.04433	1.0
91.05467	25.2
93.07030	30.0
95.04956	15.6
95.08041	1.2
95.08598	16.5
97.06529	6.3
97.10152	17.0
98.21071	1.2
99.04424	0.9
99.08094	1.1
103.05433	1.1
105.03382	0.9
105.04517	1.0
105.07014	28.7
107.04952	9.1
107.08578	24.0
109.06503	11.7
109.10130	10.1
111.04425	6.7
111.08061	4.9
113.89230	0.7
115.05431	2.0
116.06220	0.8
117.06995	13.8
119.04865	0.8
119.08562	29.2
121.06480	11.7
121.10126	16.5
123.04395	0.7
123.08044	14.0
123.11681	1.5
125.05980	1.1
125.09607	13.2
128.06204	1.6
129.06976	6.1
130.07761	2.0
131.04961	1.3
131.08554	19.2
133.06483	4.8
133.10115	16.4
135.08052	9.7
135.11668	7.9
137.05925	1.0
137.09631	5.0
139.11156	2.2
141.06998	2.1
142.07750	2.6
143.08530	9.5
143.10670	1.1
145.06477	2.3
145.10097	22.1
147.08032	12.7
147.11668	7.8
149.09598	10.5
149.13248	2.2
151.07487	2.2
151.11163	2.0
153.06976	0.8
153.09087	4.4
153.12703	2.8
155.08537	2.6
156.09343	1.9
157.06439	1.1
157.10104	11.5
159.08038	4.2
159.11674	10.8
160.05159	1.4
161.05957	1.4
161.09613	9.4
161.13234	1.9
163.11153	11.9
163.14824	1.0
165.09081	9.2
165.12793	0.9
167.08524	2.0
167.10660	3.5
168.09196	0.9
169.10091	4.4
170.10938	0.9
171.10223	1.2
171.11632	6.8
173.05963	2.2
173.09608	4.1
173.11929	0.7
173.13219	4.8
175.11145	4.3
175.14752	1.8
177.09126	1.0
177.12755	1.8
181.10065	2.0
181.12186	4.9
183.11639	4.0
185.09557	0.8
185.13286	3.6
187.07439	0.9
187.11157	3.0
187.14801	2.0
189.11188	10.8
189.12737	2.7
191.10646	4.7
191.14299	2.2
193.10123	1.2
193.12184	1.1
194.10938	0.9
195.11668	2.4
197.13210	1.7
199.11154	1.5
199.14751	2.1
201.12679	1.1
201.16350	1.1
203.10736	1.1
203.14285	2.2
205.12231	1.3
207.11818	1.2
207.13803	2.1
209.11554	1.1
209.13283	1.8
211.14836	2.3
213.12766	1.5
213.16367	1.7
215.14322	1.6
215.17961	1.4
217.11972	1.2
217.15788	0.8
219.13734	1.7
221.13350	1.0
221.15324	11.2
221.27408	0.7
223.13176	5.6
223.14879	0.6
227.12680	5.5
227.17664	1.3
231.17343	1.5
233.15363	2.7
235.14940	1.0
237.16444	1.3
239.18022	1.7
245.18990	2.5
247.20650	1.3
249.14775	2.2
255.01588	0.7
255.17384	3.3
257.18976	8.6
269.18921	0.8
271.13208	2.3
273.18472	26.8
275.20035	43.3
289.14417	1.1
291.19495	100.0
293.21069	15.8
300.20804	0.7
309.20569	4.3
313.27432	1.3
330.52444	0.7
409.27417	1.2
427.28381	2.0
445.29443	1.8
472.26572	0.8
485.77444	0.7
491.35071	1.4
547.37622	2.2
565.39178	4.2
583.40259	6.8
601.41516	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	601.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81096	0.7
53.03939	4.2
55.01865	6.2
55.05253	1.3
55.05503	18.1
57.03431	2.1
57.07053	1.3
59.04965	0.9
64.82205	0.7
65.03928	1.7
67.05498	25.7
69.03421	2.5
69.07055	9.9
69.98933	1.5
69.99349	3.0
71.04988	2.3
79.05480	32.0
81.03412	3.6
81.07046	60.2
83.04972	9.4
83.08608	15.5
85.02900	2.3
85.06532	2.1
87.04447	1.0
91.05468	25.0
93.07029	24.8
93.07618	1.4
95.04957	23.3
95.08588	13.8
97.02895	1.0
97.06518	5.2
97.10148	7.8
98.21238	1.9
99.04476	1.1
99.08067	1.3
105.07014	24.2
107.04937	9.9
107.08581	19.8
109.06501	23.9
109.10145	7.7
111.04427	6.5
111.08070	4.3
113.05993	1.7
115.05393	1.0
117.06999	11.6
119.04967	1.0
119.08559	26.6
121.06487	7.7
121.10120	12.6
123.08054	5.4
123.11712	1.0
125.09587	7.0
128.06221	1.1
129.06984	5.2
131.08556	13.4
133.06476	2.2
133.10106	12.8
135.08032	7.4
135.11656	6.7
137.09602	4.6
139.11194	1.4
141.06952	1.0
142.07829	1.5
143.08543	4.9
145.06496	1.9
145.10095	18.2
147.08029	9.6
147.11679	8.5
149.09602	12.5
149.13205	1.9
151.07562	1.3
151.11183	1.9
151.14804	0.8
153.09119	1.5
153.12772	2.6
155.08557	3.1
157.10135	5.5
159.08069	1.4
159.11684	7.3
161.09601	4.8
161.13243	3.7
163.11157	14.6
165.09122	3.0
165.12770	1.8
169.10156	3.1
171.11676	4.6
173.09656	2.4
173.13251	3.4
175.11195	3.0
175.14804	1.8
177.12752	2.2
181.12228	3.5
183.11713	2.4
185.09669	1.1
185.13161	1.9
187.11171	0.9
187.14862	1.1
189.11198	5.9
189.12743	1.9
191.10686	4.8
191.14268	1.1
193.12230	6.9
195.11659	1.2
197.13170	1.7
199.11125	1.2
203.14264	1.4
205.12253	1.0
205.15903	1.0
211.14745	0.8
213.12788	1.1
213.16327	1.1
221.15323	1.7
222.14287	0.9
223.13216	14.4
227.12778	5.3
229.19640	1.3
231.21147	0.9
239.17963	2.1
241.19377	1.4
245.19006	1.6
247.20657	1.3
249.14914	3.6
255.17479	2.8
257.18997	3.4
259.20554	5.3
273.18472	20.2
275.20016	34.9
277.21625	1.2
289.17960	3.0
290.18719	1.5
291.19498	100.0
293.21072	16.5
309.20587	3.0
391.69794	0.9
565.38580	2.2
583.39862	2.9
601.42023	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01871	10.3
55.05254	2.7
55.05505	34.9
57.03432	2.6
57.07049	2.1
65.03916	3.3
67.05161	2.9
67.05496	39.1
69.03428	5.6
69.07056	19.4
71.04980	4.5
71.08639	2.5
71.62660	1.9
79.05485	47.0
80.48605	1.8
81.03407	7.1
81.07044	89.3
83.04525	1.5
83.04960	11.8
83.08604	18.2
85.02925	2.4
85.06520	4.0
89.06013	2.2
90.06415	2.0
91.05471	46.2
93.07034	43.1
93.86507	2.3
95.04946	23.6
95.08590	25.8
97.06512	13.2
97.10157	21.3
99.08059	3.2
101.36336	1.7
105.07018	45.4
107.04941	16.0
107.08582	35.5
109.06503	18.4
109.10168	14.1
111.04429	8.4
111.08067	7.5
112.53227	1.8
115.05422	2.3
117.06998	21.5
119.08565	43.8
121.06499	11.0
121.10130	22.6
123.08082	13.2
123.11704	4.4
125.09621	16.8
128.06172	1.9
129.07008	8.9
130.07762	2.1
131.08553	28.4
133.06483	4.1
133.10106	31.9
135.08031	11.2
135.11684	11.7
137.09645	7.7
143.08553	11.1
145.10100	31.8
147.08014	12.5
147.11646	12.0
149.09590	25.8
149.13237	3.3
151.07591	3.1
151.11143	2.2
153.09067	5.7
153.12744	3.5
156.09299	2.4
157.10081	12.6
159.08032	3.7
159.11702	16.5
161.09637	10.4
161.13272	3.7
163.11166	17.2
165.09109	5.9
165.12703	3.2
167.10727	3.9
169.10110	4.0
171.10353	2.0
171.11697	7.1
173.09590	4.5
173.11856	2.8
173.13283	6.9
175.11148	5.1
175.14847	3.8
177.12764	5.8
179.14520	2.1
181.12219	6.8
183.11678	3.7
185.13216	3.2
187.11148	3.7
187.14813	2.7
189.11195	13.9
189.12717	4.1
191.10709	5.9
193.12224	3.4
195.11639	1.7
197.13301	3.5
197.90669	2.0
199.14836	2.9
201.12704	2.6
203.14342	3.8
205.12245	2.4
207.13705	2.9
209.13193	3.5
221.15279	4.1
223.13290	5.7
227.12776	7.2
229.15913	2.0
229.19444	3.6
233.15364	3.6
239.17780	3.9
245.19002	3.7
247.20581	5.3
249.14967	3.4
255.17427	4.4
257.19034	13.0
273.18472	35.7
275.20020	73.0
291.19495	100.0
293.20868	9.8
303.19159	1.9
309.20541	7.5
317.20932	2.8
375.27396	2.2
385.27625	2.4
547.37543	2.9
565.38623	7.7
583.39893	10.9
601.25983	8.9
601.37433	21.2
602.26953	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	601.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.0
55.01614	1.9
55.01864	26.5
55.05259	2.0
55.05505	33.8
57.03412	4.7
57.07064	4.0
58.38806	1.4
65.03920	2.7
67.05495	42.9
69.03408	4.8
69.06716	2.1
69.07056	26.7
70.77544	5.1
71.04972	3.5
79.05484	49.7
81.03404	9.2
81.07041	85.3
83.04970	12.1
83.08613	17.9
85.02860	1.5
85.06514	4.2
91.05469	61.4
93.06456	3.0
93.07031	45.3
95.01276	4.6
95.04954	22.2
95.08591	37.1
97.02816	1.8
97.06519	41.2
97.10158	16.4
99.08093	2.5
103.05444	2.6
105.04560	1.6
105.07017	80.5
107.04941	17.9
107.08578	33.2
109.02821	1.4
109.06504	21.0
109.10144	14.5
111.04426	6.0
111.08045	6.1
113.06046	2.4
115.05431	1.7
117.06991	24.9
119.04909	2.1
119.08567	55.2
121.06499	10.7
121.10114	21.0
123.04417	4.9
123.08040	12.5
123.11677	4.9
125.06020	1.6
125.09612	13.5
128.06197	2.6
129.06989	9.0
130.07729	2.3
131.04849	1.4
131.08556	28.8
133.06444	3.3
133.10107	45.6
135.08047	10.1
135.11647	8.8
137.09550	6.7
139.07558	2.5
141.06958	3.9
142.07729	3.9
142.66031	1.5
143.08557	11.6
144.09248	1.9
145.06477	5.5
145.09029	2.4
145.10101	32.8
146.54758	1.3
147.08037	14.9
147.11667	18.7
149.09566	11.9
149.13197	4.3
151.07489	3.2
151.11090	2.3
153.09068	5.2
153.12738	1.5
155.08554	5.5
157.10120	12.1
159.08076	2.6
159.11671	14.5
161.09633	6.9
161.13254	7.1
163.11163	13.2
163.14760	1.8
165.09103	10.4
167.10707	3.5
169.10081	5.0
171.11656	10.0
173.09590	2.1
173.13283	7.6
175.11127	5.4
175.14844	3.5
177.12724	4.5
179.14304	10.3
181.10056	1.5
181.12219	5.5
183.11673	5.7
185.09644	1.6
185.13200	4.7
187.11176	4.2
187.14706	2.0
189.11191	9.2
189.12744	2.8
191.10683	3.5
191.14273	1.7
193.12239	16.9
195.11618	4.7
195.13818	1.6
197.13225	4.2
199.14677	1.5
201.12817	1.9
203.14233	4.3
209.13324	1.9
211.14954	1.7
213.16335	2.8
215.17894	2.2
215.41864	1.6
219.17389	8.9
221.13425	2.5
221.15198	8.0
222.21873	1.5
223.13168	6.9
227.12781	3.3
227.17857	1.9
229.19438	1.9
233.15260	2.3
237.14629	2.2
239.17970	2.9
241.14392	2.1
245.18932	2.1
247.20596	5.5
249.14832	3.4
255.17363	4.4
257.18961	7.8
259.20459	2.3
273.18439	26.2
275.20023	100.0
289.17996	4.6
291.19492	99.1
293.20978	5.0
309.20654	2.2
341.30417	1.8
380.84518	1.6
540.36139	1.5
547.38440	1.5
565.39032	2.3
566.21893	1.4
583.40497	2.6
601.35059	3.5
601.41962	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	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01867	10.7
55.05253	3.2
55.05502	37.2
57.03422	3.4
57.07051	3.4
64.55418	1.8
65.03931	2.9
67.05495	46.1
69.03399	1.9
69.07059	18.9
70.69218	6.1
71.04972	3.3
79.05483	50.9
81.03410	10.5
81.07050	100.0
83.04973	16.7
83.08610	36.0
85.02889	1.9
85.06541	3.4
87.04455	4.1
89.06018	6.8
91.05473	41.1
92.50263	1.6
93.07034	44.3
93.91053	1.5
95.04354	2.5
95.04962	44.4
95.08590	35.2
97.06508	16.4
97.10166	17.0
98.20913	1.9
99.04436	2.0
99.08073	3.3
103.05408	2.3
105.07018	49.3
105.58090	1.8
107.04946	18.6
107.08587	32.3
109.06493	14.8
109.10146	18.1
111.04417	11.5
111.08072	12.5
117.07000	20.1
119.04919	2.5
119.08565	41.5
121.06477	9.1
121.10143	23.7
123.04446	1.6
123.08047	21.6
123.11683	2.9
125.05957	2.3
125.09590	13.9
127.07547	1.8
128.06230	2.0
129.06989	8.1
131.08565	29.2
133.06447	3.0
133.08533	2.5
133.10110	27.7
134.08881	1.5
135.08015	8.4
135.11664	16.0
137.09593	9.5
137.13168	1.3
139.11118	4.0
141.06978	3.9
142.07758	2.1
143.08531	6.3
145.06403	3.8
145.10109	32.2
145.39067	1.7
147.08037	12.7
147.11682	17.9
149.09615	32.0
149.13260	2.7
151.07404	2.5
151.11168	3.5
153.09091	2.7
153.12730	5.4
155.08566	7.4
156.09248	1.7
157.10094	10.0
159.07996	2.7
159.11664	14.9
161.09627	6.3
161.13283	6.3
163.11157	42.1
165.09094	5.6
165.12761	5.5
167.10649	2.4
168.09315	1.9
169.10069	6.5
171.10307	2.6
171.11676	7.5
173.09586	7.8
173.13260	8.3
175.11165	5.9
175.14836	2.8
177.12747	5.9
181.12280	8.2
183.11674	6.2
185.13268	4.1
187.11186	2.8
187.14751	3.3
189.11209	9.8
189.12752	3.4
191.10707	10.7
193.12173	2.2
195.11691	3.3
197.13234	4.1
205.12190	2.8
209.11560	3.3
211.14775	1.8
215.17921	2.7
219.13794	1.8
221.15399	5.4
223.13234	33.8
227.12732	12.9
229.15837	1.8
229.19505	3.5
239.17923	9.1
245.18921	2.0
247.20554	4.8
249.14839	2.6
255.17415	4.5
257.18958	14.4
263.19955	2.3
273.18430	31.1
275.20038	98.4
291.19510	87.1
293.21078	66.2
307.18988	2.3
309.20505	12.9
420.44351	1.9
565.38580	5.2
583.39722	9.3
601.42212	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	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01873	5.5
55.05252	1.2
55.05505	17.2
57.03425	2.8
57.07066	2.3
61.91006	0.8
65.03916	1.2
67.05160	1.8
67.05498	26.2
69.03426	3.6
69.07059	10.5
69.30621	10.6
71.04974	2.7
72.92484	0.8
77.03905	1.0
79.05486	38.6
81.03416	5.2
81.07050	100.0
81.09448	0.9
83.04970	7.0
83.08140	1.3
83.08610	11.1
85.06532	2.4
87.04447	3.4
89.06002	4.0
90.06397	1.2
91.05472	23.6
93.07034	22.0
95.01321	1.1
95.04962	12.7
95.08028	1.6
95.08598	17.7
97.06531	6.4
97.10167	10.3
99.08071	2.4
103.05404	1.0
105.07019	23.0
107.04942	6.7
107.08585	16.3
109.05765	1.9
109.06509	34.8
109.10155	7.6
111.04443	4.0
111.08081	4.1
115.05394	1.3
117.07015	10.2
119.04920	2.3
119.08573	26.1
119.67507	0.8
121.06487	5.4
121.09313	1.1
121.10126	12.9
123.04350	1.4
123.08060	10.5
123.11683	4.6
125.09634	7.6
128.06175	1.3
129.07019	4.0
130.07707	1.6
131.08551	13.1
133.06461	2.7
133.08571	2.1
133.10115	15.4
135.08043	6.8
135.11670	6.3
137.09561	4.2
141.06953	1.5
142.07758	1.3
143.08542	3.7
145.10103	13.4
147.04430	4.0
147.08047	6.7
147.11674	12.0
149.09622	7.2
149.13239	7.8
151.11192	2.0
153.09085	3.7
153.27802	0.8
157.10109	6.2
159.08020	1.3
159.11690	7.1
161.09624	5.0
161.13251	2.9
163.11148	8.6
163.14838	3.3
165.09100	3.5
165.12750	3.2
169.10098	1.7
171.11653	4.0
173.09633	2.7
173.13229	4.1
175.11192	3.6
175.14812	1.2
177.12730	1.8
181.10138	1.5
181.12202	3.0
183.11707	2.0
185.13229	2.3
187.11217	1.3
187.14827	1.3
189.11224	7.9
189.12752	1.9
189.16447	1.5
191.10645	2.1
191.14249	1.1
193.12245	3.4
197.13190	1.0
201.12762	1.1
201.16452	0.9
203.18008	1.9
205.12198	1.0
209.11639	1.0
219.17464	1.0
221.15378	1.2
223.13203	2.7
227.12804	2.5
227.17799	1.2
229.19472	3.1
233.15433	1.0
239.17932	1.9
245.18892	1.2
247.20526	6.7
249.14870	2.7
255.17403	2.6
257.19037	4.8
263.19995	1.1
273.18436	17.5
275.20035	67.7
276.20541	1.1
280.97458	1.0
291.19516	69.2
292.19931	1.0
293.21124	9.0
309.20557	3.9
339.09442	1.0
374.25473	0.9
437.34021	1.6
565.38721	1.4
583.39777	3.6
601.41998	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54126	0.9
53.03929	1.3
55.05505	5.2
57.07074	6.3
59.04990	2.7
65.03913	1.3
66.42841	0.8
67.05501	9.8
67.40845	0.7
69.03432	6.7
69.07069	4.2
69.31568	9.7
79.05490	10.3
81.07048	15.5
81.59994	0.9
83.04967	3.7
83.08611	2.0
85.06541	3.3
91.05471	15.7
92.05815	1.1
93.06453	1.8
93.07042	28.4
94.07331	1.2
95.04955	6.6
95.08602	15.3
96.08926	1.2
97.06534	3.1
97.10143	0.8
103.05452	1.4
104.92680	1.0
105.07017	30.4
106.07343	1.6
107.08579	15.3
109.06506	9.3
109.10147	7.9
111.08070	1.9
115.05448	0.9
117.07005	7.4
119.08573	35.7
120.08926	1.6
121.06500	5.1
121.10143	19.6
122.10535	0.9
123.08071	13.3
123.11693	3.0
125.06022	3.4
125.09653	1.2
128.06201	3.0
129.06950	4.3
130.07771	1.4
131.08572	13.2
133.06490	2.1
133.10115	19.9
133.11052	1.3
135.08043	11.5
135.11676	6.4
137.06081	1.1
137.09595	10.2
141.07019	1.4
142.07736	5.4
143.08545	10.7
144.09315	3.3
145.06473	1.1
145.10115	26.4
146.10504	1.4
147.08038	20.8
147.11693	5.5
149.09599	4.7
149.13219	1.3
151.07516	12.7
153.09071	1.6
154.07776	1.4
155.08546	4.1
156.09346	4.0
157.10101	17.6
157.11266	1.5
158.10725	2.0
159.08017	2.0
159.11681	14.2
161.09665	5.3
161.13237	5.8
163.11188	9.0
164.11604	1.6
165.09108	44.5
166.09480	1.9
167.08566	2.4
168.09300	2.0
169.10078	6.2
170.10902	2.1
171.11687	9.8
172.12343	1.7
173.09621	3.1
173.13228	5.0
174.13641	1.0
175.11201	4.6
175.14882	4.4
175.88406	0.8
176.11569	1.2
177.09108	2.2
179.08551	2.8
180.09283	1.0
181.10146	3.3
181.12219	9.1
182.10930	1.8
183.11671	9.5
184.12378	2.1
185.13235	6.6
187.11183	3.0
187.14845	5.4
189.12744	5.4
190.13405	1.3
191.10768	1.2
191.14282	2.4
192.09456	1.3
193.10178	2.4
193.12099	2.1
194.10938	2.2
195.11693	4.5
195.13875	1.4
196.12466	2.2
197.13223	6.5
199.11172	2.1
199.14876	1.6
201.12694	1.1
203.14297	15.2
204.14691	2.0
205.15837	1.0
206.10938	1.3
207.11723	2.7
207.13824	5.8
208.14464	1.6
209.13264	6.6
209.15268	2.8
211.14832	2.9
212.15331	1.4
213.12691	1.5
213.16344	2.1
215.14452	1.8
219.11746	1.3
219.13782	0.9
220.12422	1.1
221.13332	3.5
221.15343	100.0
222.15723	8.4
223.11182	1.3
223.14812	2.6
225.12802	0.9
225.16399	1.6
227.14404	1.7
233.13190	1.1
233.15298	1.9
234.16142	1.6
235.14738	3.5
235.16708	2.2
237.16362	1.4
245.13243	1.0
247.14679	1.4
247.16910	4.8
248.17400	1.6
249.16135	1.7
253.19438	1.0
257.15494	1.3
259.14700	1.2
261.16327	1.3
265.15912	0.9
265.19345	1.6
267.17419	1.2
274.19269	1.2
275.19888	2.5
277.19589	1.4
283.20532	1.9
285.18478	1.5
286.19272	2.6
287.20157	5.1
288.20416	1.3
297.18787	0.9
297.22159	1.8
299.20126	4.2
300.20737	4.3
301.21768	4.7
311.19910	1.2
312.20825	1.3
313.21442	2.1
314.21860	1.2
325.21704	1.7
326.21924	1.3
340.23828	2.5
349.25552	1.4
352.23932	2.9
353.24396	4.4
354.25104	1.1
365.24878	1.6
366.25058	1.0
367.26300	7.1
375.27063	1.3
391.26456	1.0
393.27853	3.3
420.29559	1.2
421.30475	1.6
427.28003	2.2
428.28632	2.5
440.29147	3.1
441.29514	6.1
454.31091	0.9
464.33020	1.3
491.35272	10.2
509.36136	3.8
521.35986	9.4
565.40051	1.4
583.41455	14.0
601.42267	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.1
57.07059	7.3
59.04981	3.8
67.05497	13.9
69.03412	6.9
69.07053	10.5
69.94505	4.3
69.94914	10.3
78.53050	2.0
79.05489	15.6
81.07059	17.9
83.04957	2.7
83.08599	3.5
85.06532	3.9
90.06740	2.3
91.05476	20.8
93.07032	34.4
95.04954	8.0
95.08616	19.6
97.06531	3.9
98.20771	2.5
98.83453	1.9
103.05430	2.6
105.07018	39.1
107.08595	22.4
109.06522	14.5
109.10145	7.2
117.07001	8.7
118.81566	1.8
119.08567	42.3
121.06434	4.9
121.10126	21.0
123.08047	19.8
123.11716	3.1
125.05984	4.6
125.61398	2.0
128.06192	4.0
129.06979	7.6
130.07755	5.3
131.08571	19.4
131.98387	2.0
133.10092	23.6
135.08034	13.0
135.11665	6.9
137.09590	13.7
139.07533	2.3
142.07776	6.5
143.08589	11.3
144.09148	2.1
145.10106	31.1
146.10419	3.6
147.08047	22.6
147.11632	4.2
149.09598	6.6
151.07552	12.9
154.07704	2.3
155.08549	7.3
156.09351	5.0
157.10143	19.2
158.10681	3.0
159.11671	22.7
161.09598	5.3
161.13205	8.3
163.11183	8.0
165.09096	40.0
166.09454	2.4
168.09286	3.5
169.10098	8.1
170.10764	2.9
171.11659	9.4
173.09601	3.7
173.13242	9.1
175.11188	4.2
175.14832	5.8
181.10136	4.2
181.12190	8.1
182.10872	3.1
182.12572	2.1
183.11615	7.0
185.13240	7.2
187.10878	2.3
187.14764	3.4
189.12816	4.6
193.10081	4.2
193.12137	2.7
194.10860	4.1
195.11671	6.9
197.13217	6.7
199.11194	2.3
199.14758	2.6
201.12718	2.9
203.14252	13.0
207.11624	2.4
207.13734	5.8
209.13336	4.4
209.15265	5.1
211.14810	5.0
221.13435	4.3
221.15343	100.0
222.15714	6.3
223.14777	2.6
227.14232	2.3
233.13174	3.2
233.15308	3.0
234.16063	3.2
235.14632	2.6
235.16734	3.1
247.16902	6.0
248.17255	3.0
249.16345	3.3
271.16837	2.2
274.19177	3.0
277.19150	2.8
285.18533	2.2
286.19235	2.3
287.19965	3.5
291.19504	4.6
297.21970	2.7
299.20135	3.5
300.20706	3.8
301.21478	6.2
313.21570	2.9
326.22015	3.7
340.23773	3.0
348.36664	2.2
352.24091	3.3
353.24161	3.3
367.26230	7.7
375.26645	2.7
393.27829	5.1
426.27496	2.9
428.28702	2.8
440.28833	7.0
441.29419	11.0
491.35199	12.0
509.36008	7.8
521.35736	10.1
583.41559	15.5
601.42432	52.1
612.96619	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13055	0.7
53.03919	1.1
55.05511	6.7
57.07068	7.9
59.05006	4.0
62.45732	0.7
65.03912	1.3
65.48554	0.8
67.05499	9.1
69.03419	7.1
69.07063	6.6
69.28564	7.7
77.03896	0.7
79.05482	11.4
81.03387	1.3
81.07049	20.4
83.04964	3.7
83.08575	2.7
85.06505	3.1
91.05471	18.4
92.05776	0.8
92.90633	0.6
93.07035	32.5
94.07347	0.9
95.04959	7.3
95.08596	20.4
96.08962	0.7
97.06543	3.7
98.21522	1.7
103.05399	1.4
105.07018	34.8
106.07307	1.2
107.04917	0.8
107.07854	1.1
107.08582	20.5
109.06515	10.8
109.09471	0.7
109.10149	8.9
111.08051	2.6
115.05435	1.9
116.10326	0.6
117.06306	0.9
117.07000	8.7
119.08568	40.1
120.08856	0.9
121.06507	4.7
121.09332	1.4
121.10136	20.4
121.15489	0.6
122.10413	0.8
123.07178	1.0
123.08057	16.9
123.11674	1.7
125.05977	4.1
125.09583	0.9
128.06183	3.7
129.07010	5.9
130.07721	3.0
131.08556	15.8
132.09270	0.8
133.06462	2.3
133.10114	18.6
134.10916	0.9
135.08038	12.2
135.08997	1.4
135.11690	8.1
137.05951	1.8
137.09602	13.0
138.09917	1.1
139.07494	1.7
141.06926	2.6
142.07756	5.9
143.08553	14.7
144.09344	3.7
145.06427	1.4
145.10107	30.5
146.10495	1.5
147.06909	1.3
147.08032	23.4
147.11678	6.7
148.08578	1.2
149.09602	5.3
149.13150	1.1
151.07529	16.7
151.11157	1.2
153.06940	1.4
153.09071	1.5
154.07686	1.6
155.08534	4.5
156.09361	6.3
157.10114	17.7
158.10696	2.4
159.07988	3.2
159.11681	20.5
160.12003	1.0
161.09593	6.4
161.13239	6.7
163.11157	9.2
165.06915	1.6
165.09097	51.5
166.09372	1.8
167.08514	2.8
168.09262	2.2
169.08864	0.9
169.10117	8.7
170.10822	3.6
171.11671	10.7
172.12318	1.5
173.09564	2.4
173.13231	7.4
174.10120	1.0
175.11125	3.3
175.14848	5.2
176.11505	1.0
177.09038	1.7
179.08539	2.9
179.10553	1.4
180.09235	1.3
181.10170	4.9
181.12216	10.0
182.10849	1.7
182.12465	0.9
183.11678	7.4
184.12338	1.6
185.09601	1.7
185.13249	7.8
186.13664	0.9
187.11154	1.9
187.14764	6.2
188.11858	0.9
189.12744	5.6
190.13411	1.0
191.10519	1.5
191.14233	3.1
192.09395	0.8
193.10085	2.4
193.12131	2.0
194.10901	1.9
195.11697	6.6
195.13481	1.3
196.12340	1.9
197.13220	7.4
198.13849	1.2
199.11185	2.3
199.14784	2.1
200.11909	1.0
201.12720	2.7
201.16304	1.0
203.14305	17.4
204.14601	1.1
205.15839	1.2
206.10829	1.5
207.11633	3.1
207.13763	7.4
208.12372	2.0
208.14343	1.6
209.13202	7.0
209.15324	3.5
210.13910	1.0
211.11070	1.2
211.14879	3.9
213.12704	2.3
213.16347	2.7
215.10664	0.9
215.14305	1.0
217.15811	0.9
219.11632	0.8
219.13667	1.0
220.12433	1.4
221.13419	4.8
221.15334	100.0
222.15665	5.1
223.14757	4.3
224.15324	0.8
225.12735	1.5
225.16283	2.3
227.14235	1.9
229.12129	1.0
231.13737	1.3
233.13210	1.4
233.15347	2.1
234.13908	1.1
234.16032	1.6
235.14731	2.8
237.12825	1.0
237.16295	2.0
239.14151	0.8
239.17894	2.0
243.13687	1.0
245.15503	1.2
247.14825	1.5
247.16924	4.5
248.17249	1.4
249.16335	1.9
250.16795	1.0
251.18066	1.4
258.14001	0.9
259.14777	0.9
261.16254	1.1
263.18060	1.1
265.19479	2.0
275.20142	0.9
277.19702	1.1
279.17349	0.9
281.19012	1.4
283.20535	1.9
285.18738	1.3
286.19147	3.0
287.20074	5.7
288.20294	0.9
297.22156	2.2
299.20053	4.4
300.20767	3.5
301.21732	4.1
309.21918	1.1
311.20084	1.0
312.20813	1.3
313.21393	2.5
325.21579	1.5
326.21890	1.6
340.23807	1.5
341.24570	1.0
349.24994	1.1
352.23962	2.5
353.24426	2.6
357.25879	0.8
365.24658	1.6
367.26346	9.0
373.25238	1.0
375.26895	3.2
377.24670	1.3
378.25482	1.0
380.27042	0.8
391.26468	0.9
393.27835	2.5
399.29105	0.9
403.29990	1.0
420.29779	1.0
421.31055	1.1
425.30612	1.4
426.27579	1.1
427.28284	1.3
428.28601	0.9
435.63098	0.8
440.29181	2.1
441.29462	4.3
491.35196	11.1
509.36188	4.0
521.35931	6.3
527.36182	0.9
565.39734	1.6
583.41339	12.9
601.42438	34.5
602.43036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01855	2.4
55.05505	24.0
57.07066	8.9
59.04988	3.0
61.95428	1.7
65.03922	4.2
67.05489	30.4
69.03420	15.9
69.06708	2.8
69.07056	27.6
70.75685	2.1
70.76023	5.2
71.04981	4.0
79.05479	33.6
81.07044	47.0
81.09518	2.0
83.04961	22.4
83.08611	15.6
85.06528	5.1
87.04453	7.3
91.05464	60.5
92.06246	2.1
93.07033	83.5
93.07616	4.5
95.04960	27.9
95.08038	3.5
95.08599	46.2
97.06518	14.0
97.10160	3.1
98.01642	1.9
98.21304	3.4
100.76306	1.7
103.05449	5.1
105.07017	88.3
107.04932	2.9
107.08580	78.8
109.06499	21.6
109.10127	32.9
111.08074	7.3
111.11678	2.7
113.09619	4.4
115.05438	6.8
117.07011	19.5
119.04945	2.9
119.08566	100.0
121.06522	13.0
121.10130	90.2
122.10519	2.0
123.08030	15.8
123.11692	11.2
125.06040	2.9
125.09608	19.3
128.06198	12.3
129.07001	17.8
130.07771	10.4
131.08557	42.2
131.92444	1.9
132.68079	1.8
133.06488	4.8
133.10107	66.7
135.08040	16.9
135.11664	25.7
137.09624	11.7
139.11205	8.8
141.06978	8.3
142.07773	22.4
143.08542	40.4
144.09364	9.2
145.06448	3.4
145.10110	76.3
146.07291	2.8
146.10864	3.4
147.08041	8.9
147.11649	25.4
149.09584	18.5
149.13203	6.4
151.07562	6.4
151.11154	4.4
153.06984	4.4
154.07735	4.7
155.08519	16.9
155.10667	7.2
156.09349	19.2
157.10117	57.4
158.10847	5.3
159.08044	14.4
159.11658	36.4
161.09602	15.7
161.13206	9.2
163.11168	12.4
165.06947	6.9
165.09117	9.0
166.07813	3.3
167.08595	9.7
167.10663	83.9
168.09328	7.2
169.10106	32.9
170.10869	8.2
171.11668	39.3
172.12437	3.3
173.09682	8.8
173.13229	33.0
175.11150	12.0
175.14832	19.9
177.12721	3.6
178.84958	2.2
179.08487	10.6
180.09322	7.2
181.10095	15.9
181.12247	9.7
182.10797	10.4
183.11650	25.6
184.12306	3.1
185.09601	5.3
185.13272	20.3
187.11165	7.9
187.14801	12.6
189.12679	5.7
191.08519	2.8
191.14299	8.5
192.09299	5.1
193.10078	12.0
194.10873	10.0
195.11668	25.7
196.12386	6.6
197.13229	33.9
199.11180	4.8
199.14790	17.2
201.12674	6.3
201.16402	10.4
203.14272	8.0
205.10121	2.5
206.10872	5.2
207.11723	16.5
207.13559	2.9
208.12369	5.4
209.13239	31.3
209.15274	4.7
210.13950	3.4
211.11171	5.8
211.14813	18.2
212.15376	2.6
213.12778	6.5
213.16290	5.0
215.14308	7.6
216.14735	2.4
217.10179	2.4
217.15891	5.0
219.11642	4.9
219.17357	3.8
220.12454	5.8
221.13223	14.1
221.15358	23.1
222.13953	5.7
223.11378	2.4
223.14771	19.3
225.12766	3.9
225.16444	10.2
227.14281	6.4
227.17848	2.8
229.15903	3.0
231.11568	3.6
233.13219	6.7
233.15315	40.2
235.14798	13.2
235.16867	3.5
236.15564	4.0
237.16357	10.5
239.14278	4.0
239.17949	6.2
241.15826	3.4
244.12369	2.6
245.13074	2.6
246.13928	4.4
247.14742	7.8
247.16982	3.2
249.16492	8.8
251.17929	9.2
253.15909	3.8
253.19292	4.2
255.17473	3.8
257.19012	5.6
258.14008	2.7
259.14725	4.6
260.15320	3.8
261.16367	7.2
262.16916	2.2
263.17944	5.9
265.19403	5.1
267.17416	3.1
269.18954	7.4
271.20303	3.2
273.16077	4.2
273.18713	3.6
275.17874	6.4
277.19513	5.8
281.18967	7.7
283.20483	9.3
285.18561	5.2
287.17407	2.7
287.20099	5.7
289.19412	4.1
291.17468	2.2
295.20566	5.1
297.22131	2.5
299.19983	6.4
301.21695	4.9
303.21039	3.3
309.21912	2.8
311.20245	4.5
315.20935	3.2
329.22778	2.2
331.24139	3.5
335.23492	2.1
343.24307	4.2
347.23621	2.4
349.25247	4.9
351.23285	2.6
353.24796	2.1
361.25076	4.5
365.24731	3.8
367.26511	3.1
375.26505	2.8
448.22021	2.0
491.34891	4.6
505.76218	1.9
565.40436	10.7
583.41357	15.9
601.42676	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	601.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01861	4.3
55.05505	24.3
57.03425	1.8
57.07067	11.4
59.04970	3.3
65.03934	4.3
67.05167	2.8
67.05495	37.0
69.03424	14.6
69.07059	22.8
71.04969	3.3
73.22166	1.4
77.03934	2.7
79.05479	44.0
81.03400	3.6
81.07046	55.3
83.04958	21.6
83.08604	19.4
85.06520	5.7
87.04433	2.4
89.07716	1.8
91.05465	60.3
91.89795	1.8
93.07026	82.3
95.04957	31.7
95.08591	42.8
97.06514	17.2
97.10153	6.4
98.20740	5.4
98.21458	5.7
103.05463	4.3
105.04453	1.9
105.07014	100.0
106.07299	2.4
107.04941	8.4
107.08578	66.0
109.06508	19.8
109.10138	29.4
111.04433	2.7
111.08058	6.7
111.11678	1.9
113.05968	2.6
113.09623	2.7
115.05404	5.4
116.06217	3.0
117.06998	24.4
119.08564	87.0
121.06488	12.2
121.10123	75.8
123.04385	2.0
123.08062	19.0
123.11675	8.1
125.05980	4.5
125.09618	15.2
126.83639	1.8
128.06197	11.6
129.06978	19.1
130.07745	7.1
131.08549	41.5
132.09314	4.0
133.06445	5.5
133.09097	3.1
133.10104	57.2
135.08009	20.3
135.11676	19.8
137.09589	14.3
139.11128	6.1
141.06996	8.4
142.07750	19.7
143.08548	41.2
144.09262	6.9
145.06441	5.0
145.10097	71.0
146.07190	2.3
147.08015	23.2
147.11661	24.2
149.09578	22.5
149.13210	5.0
151.07518	13.0
151.11121	2.8
152.06064	2.1
153.06960	4.1
153.09029	4.6
154.07718	3.4
155.08548	15.7
155.10579	3.6
156.09332	20.1
157.10110	54.3
158.10797	6.1
159.08047	14.1
159.11673	35.2
160.08765	2.6
160.12042	2.3
161.09601	15.4
161.13255	8.8
163.11166	15.1
165.06941	4.7
165.09082	36.2
166.07738	2.6
167.08511	6.5
167.10654	44.8
168.09309	6.4
169.10114	29.4
170.10847	7.7
171.08012	3.1
171.11665	35.3
172.08852	3.1
172.12164	2.4
173.09621	8.3
173.13229	28.1
175.11217	9.8
175.14822	9.1
177.09023	2.6
177.12704	4.8
179.08510	8.0
179.14297	2.0
180.09258	5.8
181.10066	14.9
181.12218	14.2
182.10841	7.8
183.11681	25.1
184.12396	4.3
185.09595	3.0
185.13251	19.2
186.13654	1.7
187.11098	6.1
187.14806	7.9
189.11200	3.2
189.12744	7.4
190.13348	2.1
191.10664	3.2
191.14281	8.0
192.09369	3.4
193.10298	11.3
193.12010	10.4
194.10841	7.9
195.11656	19.6
196.12358	5.8
197.13235	20.5
198.13713	2.4
199.11162	3.9
199.14813	12.2
201.12718	5.6
201.16418	3.1
203.14310	13.6
205.10088	3.6
206.10875	3.7
207.11629	12.3
207.13756	7.3
208.12292	5.2
209.13191	17.9
209.15250	7.3
211.11140	3.1
211.14803	17.4
213.12717	5.4
213.16231	8.8
215.14299	5.4
217.15834	7.0
218.10748	3.0
219.11610	7.0
219.13641	2.5
220.12437	5.9
221.13210	9.4
221.15311	84.6
222.13831	4.2
222.15685	4.7
223.14877	12.0
224.15509	2.3
225.12682	3.4
225.16376	7.4
227.14238	5.1
229.15866	3.5
231.11594	4.4
231.17552	1.9
232.12433	3.4
233.13100	5.8
233.15358	19.3
234.13857	3.4
234.15916	3.5
235.14777	8.5
235.16875	3.2
237.16467	8.9
239.14317	2.8
239.17867	4.0
241.19421	3.6
243.11661	2.9
245.13187	3.4
247.14749	5.3
247.16959	3.5
249.16339	7.2
251.17854	5.4
253.19380	2.3
255.17384	4.7
257.19064	8.2
259.14832	3.9
259.20520	2.8
260.15417	3.1
261.16315	6.5
263.17834	3.4
265.19415	4.8
267.17236	2.7
269.19016	4.1
273.18521	9.5
275.20135	22.6
277.19424	3.2
279.20795	2.1
281.19104	3.3
283.20581	11.6
284.21091	1.9
285.18762	2.7
286.19199	3.2
287.19980	6.7
289.19431	2.5
291.19452	23.7
293.18707	2.3
295.20447	4.3
299.19904	6.2
300.20969	4.3
301.21716	5.0
303.19748	3.2
304.19708	3.5
311.19983	3.0
312.20532	4.7
313.21506	2.0
315.20779	2.2
317.22495	2.9
323.23557	1.9
325.21259	2.1
331.24142	5.3
335.23575	2.4
343.24146	2.8
347.23529	1.9
349.25174	7.7
352.23914	7.2
353.24234	5.9
361.25208	2.8
365.24561	3.2
366.24936	2.2
367.26370	5.6
375.26761	4.6
377.24634	2.0
379.26105	4.3
383.27383	2.2
393.28094	2.3
473.34232	2.3
491.34705	5.5
503.34915	4.5
509.34836	3.3
521.35687	9.1
565.40222	9.4
573.62244	1.8
583.41357	21.0
601.42407	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.3
53.03928	5.5
55.01860	4.5
55.05500	23.6
57.03435	3.3
57.07075	10.3
59.04978	6.2
65.03926	3.8
66.68603	1.7
67.05495	38.2
69.03417	15.7
69.07057	27.5
69.28876	22.9
71.04973	2.2
79.05482	36.8
81.07043	56.7
83.04979	17.2
83.08614	16.7
85.06525	7.2
91.05466	63.3
92.05772	1.9
93.07033	88.8
94.07342	2.6
95.04957	33.3
95.08585	43.4
97.05994	1.9
97.06519	13.3
97.10154	3.7
98.20695	3.4
98.21362	7.2
103.05442	6.0
105.07016	100.0
106.07241	2.8
107.04929	5.9
107.08580	79.2
108.08894	2.2
109.06498	29.2
109.10133	31.6
111.04453	2.4
111.08051	5.0
113.05980	2.6
113.09624	3.1
115.05434	3.8
116.06181	1.7
117.07005	20.6
119.08560	95.7
120.08848	2.4
121.06501	14.3
121.10122	77.7
123.08043	16.9
123.11674	7.2
124.99586	1.9
125.05974	4.6
125.09589	13.5
128.06198	12.8
129.06984	20.0
130.07767	9.9
131.08553	50.8
132.09267	2.7
133.06471	5.7
133.10107	60.1
135.08028	27.8
135.11682	19.9
137.09563	12.9
139.07550	1.8
139.11154	6.1
141.06958	6.6
142.07759	20.5
143.08536	41.8
144.09334	10.9
145.06450	3.3
145.10100	73.4
147.08032	23.1
147.11664	24.3
149.09607	15.9
149.13257	4.1
151.07526	11.6
151.11201	3.6
153.06935	3.6
154.07750	5.2
155.08519	19.4
155.10547	2.2
156.09325	15.9
157.10107	60.9
158.10928	10.0
159.08055	17.1
159.11670	38.8
160.12181	1.9
161.09593	20.7
161.13222	8.7
163.11160	16.8
163.14806	2.4
165.06967	7.3
165.09096	26.3
166.07764	2.4
167.08540	12.7
167.10649	52.8
168.09270	6.0
168.10672	1.8
169.10104	33.3
170.10928	9.8
171.07993	2.8
171.11670	38.8
172.12378	3.0
173.09578	8.1
173.13216	25.4
175.11192	10.1
175.14813	11.3
177.12717	2.6
179.08501	11.6
179.14308	2.3
181.10060	16.9
181.12175	9.7
182.10860	11.8
183.11658	24.6
184.12308	2.8
185.09525	4.3
185.13225	22.6
187.11137	5.5
187.14792	10.5
189.12692	9.9
191.14302	9.2
192.09325	3.3
193.10098	14.4
193.11942	3.2
194.10889	8.9
195.11662	22.5
195.13437	3.2
196.12370	9.1
197.09563	3.4
197.13269	21.6
199.11154	2.6
199.14795	14.7
201.12657	6.1
201.16351	5.8
203.14255	13.9
205.10042	4.3
206.10881	4.5
207.11653	16.4
207.13794	7.0
208.12399	6.7
209.13264	27.7
209.15291	5.0
210.10321	2.4
210.13722	3.3
211.14777	18.2
212.15518	2.0
213.12715	5.6
213.16367	7.1
215.14288	6.6
217.15874	9.5
219.11682	6.7
220.12349	5.2
221.13182	16.1
221.15340	70.1
222.13853	2.8
222.15695	5.7
223.14769	13.2
225.12717	4.1
225.16257	10.2
227.14308	4.5
229.15785	2.5
231.11673	4.3
231.17497	3.0
232.12112	2.7
233.13164	9.3
233.15343	23.7
234.15982	3.9
235.14763	9.5
235.16783	3.1
236.15395	4.2
237.16310	6.5
239.14250	2.4
239.17847	5.4
241.19449	2.9
245.13292	5.4
247.14761	5.3
247.17082	3.3
249.16400	6.1
250.17120	2.3
251.17918	5.5
253.15721	2.7
253.19412	2.7
255.17508	5.3
257.18958	5.9
259.14694	4.6
260.15469	4.5
261.16351	6.2
263.17841	6.1
265.19464	7.7
269.18915	7.6
273.18619	9.9
275.17566	4.7
275.20319	12.8
277.19388	4.5
279.17560	2.4
279.20959	2.2
281.18924	5.5
283.20474	9.4
285.18555	2.6
287.19937	6.8
289.19360	3.0
291.19388	24.1
293.21130	4.4
295.20480	4.7
297.22171	2.3
299.20068	4.5
300.20599	2.8
301.21722	5.2
309.21976	2.8
311.19992	5.6
325.21640	2.8
331.24045	4.3
342.15155	2.3
343.24194	3.0
347.23489	2.0
349.25192	8.1
352.23849	3.5
353.24243	6.0
365.24744	2.8
367.26193	8.4
375.26712	4.1
392.26260	2.0
393.28015	3.4
403.29959	2.3
407.48560	2.1
478.19531	2.2
491.34964	2.7
503.34442	1.9
509.35245	3.9
521.35620	7.8
547.39374	2.9
565.40387	9.9
583.41272	16.6
601.42279	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	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74878	1.3
53.03933	4.6
55.01860	4.5
55.05251	2.0
55.05503	24.4
57.03423	3.3
57.07068	9.0
59.04983	4.3
62.45646	1.3
65.03934	4.6
67.05492	36.0
69.03419	16.6
69.07056	25.8
69.07406	2.7
69.33505	13.7
71.04973	4.0
74.73598	1.3
75.29583	1.4
77.03921	2.1
79.05482	36.9
79.89543	1.2
80.06264	1.6
81.03403	4.6
81.07043	53.6
83.04964	19.7
83.08603	19.5
85.06530	6.2
87.04473	4.7
89.06016	2.1
91.04889	2.3
91.05469	61.3
93.07030	78.9
95.04952	26.5
95.08591	41.3
96.08942	1.5
97.06520	20.0
97.10141	4.3
98.21101	6.9
99.08066	2.3
103.05453	4.9
104.35972	1.5
105.04493	2.5
105.07014	100.0
107.04944	8.7
107.08578	79.2
108.08913	2.7
109.06501	19.6
109.10139	34.2
111.04405	2.0
111.08078	8.0
111.11697	2.4
113.09629	4.0
115.05415	7.0
116.06239	2.3
117.06999	23.0
119.08564	91.2
120.08916	1.7
121.06503	10.4
121.10126	81.1
122.07277	1.5
123.08050	18.6
123.11678	8.8
125.05968	3.0
125.09607	15.4
127.07558	1.8
128.06204	10.4
129.06996	17.6
130.07787	9.2
131.08553	45.6
132.09216	2.2
133.06479	6.9
133.07477	1.7
133.10107	60.7
135.08041	17.3
135.11667	23.6
137.09616	11.8
139.11166	5.7
141.06937	9.0
142.07767	20.2
143.08545	39.6
144.09383	8.7
145.06450	3.8
145.10104	71.9
146.07269	1.5
146.10492	1.5
147.08040	13.5
147.11671	27.1
149.09605	23.0
149.13237	3.8
150.10315	1.5
151.07516	5.3
151.11169	5.1
153.06967	5.0
153.09097	2.3
154.07745	3.5
155.08530	17.3
155.10652	5.1
156.09322	17.0
157.10107	49.6
158.10796	6.2
159.08029	17.4
159.11665	37.9
160.08528	1.3
161.06023	1.8
161.09602	16.5
161.13251	10.1
163.11151	13.5
163.14850	2.0
165.06940	5.2
165.09111	15.8
166.07747	3.4
167.08562	9.8
167.10646	61.8
167.14342	1.5
167.97430	1.4
168.09329	5.9
168.10760	1.5
169.10100	25.3
170.10878	8.7
171.08043	2.7
171.11668	33.5
172.08842	1.5
172.12303	2.5
173.09662	7.5
173.13223	21.7
175.11122	7.4
175.14801	14.5
177.09052	2.2
177.12749	3.6
178.07782	1.9
179.08513	10.9
179.10561	1.4
180.09273	4.9
181.10135	14.3
181.12120	9.4
182.10886	8.3
183.11671	25.8
184.12357	2.5
185.09622	5.6
185.13275	15.6
186.13733	2.3
187.11168	6.2
187.14775	12.2
189.12743	6.9
191.08652	1.7
191.14297	6.4
192.09264	3.8
193.10097	14.3
193.11942	2.0
194.10892	7.3
195.11673	22.2
195.13422	1.8
196.12474	8.9
197.13239	19.8
198.10445	1.4
198.13936	3.2
199.11142	4.3
199.14780	13.9
201.12701	5.6
201.16399	4.9
203.14240	11.5
205.10138	3.4
206.10898	5.7
207.11679	13.2
207.13725	3.4
208.12347	6.0
209.13255	20.6
209.15295	3.6
210.13924	5.2
211.11162	3.8
211.14737	12.6
212.15439	2.2
213.12718	4.7
213.16371	6.4
215.14218	4.8
217.10132	2.5
217.15961	7.5
218.10698	1.7
219.11655	3.9
219.17313	1.6
220.12366	4.4
221.13199	12.5
221.15358	33.6
222.13873	4.2
223.11263	2.1
223.14818	10.7
225.12689	4.1
225.16350	7.5
227.14285	4.6
227.17966	1.7
229.15842	1.7
231.11600	3.2
232.12408	2.9
233.13170	6.1
233.15300	28.8
234.13918	2.2
234.15962	2.0
235.14856	10.0
235.16792	2.5
236.15460	3.1
237.16350	6.3
239.14307	2.0
239.17958	4.7
241.15862	2.4
244.12506	2.9
245.13200	4.7
246.13847	3.3
247.14734	5.8
247.16992	3.5
248.15532	2.7
249.16341	5.9
251.17905	4.2
252.18344	2.1
253.15784	1.8
253.19542	2.0
255.17374	3.1
257.13165	2.8
257.19000	4.0
258.13855	1.6
259.14758	4.5
261.16342	6.5
263.17953	3.9
265.19406	4.4
267.17297	2.4
269.19058	8.6
270.19543	1.6
273.15976	2.5
273.18509	7.6
274.16916	1.7
275.20224	11.1
277.19501	4.7
281.19028	4.1
283.20572	7.0
285.18509	4.2
287.20114	3.9
289.19412	4.7
291.19424	10.2
293.21030	5.1
295.20465	3.6
297.22076	1.6
299.19928	6.0
301.21719	3.8
303.20865	2.3
307.20236	1.5
311.20081	1.7
315.21405	2.2
325.21768	1.6
329.22775	2.0
331.24249	1.9
335.23770	1.9
343.24261	2.3
347.23727	2.2
349.25262	3.1
359.23685	2.0
361.25137	2.2
365.24918	2.4
367.26248	2.4
375.26544	2.7
377.24432	2.0
379.26141	1.7
427.29733	1.7
491.34909	4.4
509.35489	1.8
547.39502	1.7
565.40021	4.7
580.86835	1.6
583.41400	12.8
601.42377	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	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47497	4.2
53.03936	8.1
54.99821	5.0
55.01887	5.4
55.05497	23.1
57.07061	16.7
67.05499	39.8
69.03410	15.0
69.07053	22.4
70.01890	4.4
70.75659	9.7
75.44071	4.3
75.57509	4.2
79.05479	31.5
81.07044	52.6
83.04967	17.8
83.08584	15.7
85.06530	6.1
91.05464	50.9
93.07034	63.2
95.04976	25.5
95.08601	48.0
97.06513	12.2
97.10150	7.5
105.07018	94.2
107.04938	8.1
107.08573	65.8
108.19949	5.9
109.06479	18.7
109.10151	34.2
111.08074	8.0
115.05476	6.5
117.06989	17.0
119.08570	100.0
121.06504	11.8
121.10136	76.3
122.10410	5.7
123.08033	18.6
123.11698	10.2
125.05894	7.8
125.09596	10.7
126.78788	5.0
128.06197	16.4
129.06970	14.3
130.07739	9.8
131.08543	36.5
133.10126	56.5
135.08069	27.4
135.11697	21.6
137.09613	13.2
141.07007	5.2
142.07767	24.3
143.08575	34.2
143.31519	5.1
144.09235	8.9
145.10101	63.3
146.10480	4.6
147.08038	21.8
147.11624	24.7
149.09590	21.5
151.07549	19.7
155.08559	11.7
155.10689	5.4
156.09398	12.3
157.10127	61.4
158.10640	5.5
159.08064	11.5
159.11647	34.9
160.12030	5.9
161.09639	13.0
161.13184	11.7
163.11168	12.9
165.09082	42.4
167.08531	10.3
167.10651	48.6
169.10123	27.4
170.10873	9.0
171.11644	30.0
173.13231	21.1
175.11186	11.2
175.14819	12.7
179.08574	11.0
180.09322	8.2
181.10037	12.1
181.12224	13.8
182.10989	7.1
183.11642	22.2
184.12396	5.5
185.13228	16.3
187.11307	5.9
187.14824	9.6
189.12729	10.4
191.14209	7.7
192.34683	4.9
193.10133	11.4
195.11586	13.1
197.13263	26.1
199.11128	5.8
199.14815	15.1
203.14232	15.3
207.11697	13.9
207.13710	8.3
208.12303	6.4
209.13243	29.5
209.15060	6.0
211.14781	15.2
221.13322	10.7
221.15344	81.4
222.15736	13.5
223.14784	14.4
225.16408	9.2
227.14323	6.6
233.15352	18.9
235.14742	9.0
239.17914	10.1
249.16336	7.9
251.17981	6.6
263.17935	9.8
265.19745	5.3
281.18991	6.1
283.20514	10.4
285.18503	6.5
285.22287	5.5
287.20123	6.3
300.20688	6.3
301.21631	5.7
304.19705	6.2
313.21347	6.1
352.24051	12.2
353.24191	13.9
367.26401	10.3
375.26740	6.3
393.26990	6.8
509.34940	6.6
511.03928	5.8
521.35712	15.1
565.39520	10.1
583.41284	28.5
601.42578	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	603.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56646	1.1
56.96558	9.6
64.70570	1.6
71.60484	2.1
84.96019	4.7
85.02911	1.1
94.50098	1.0
97.02885	1.0
98.97569	52.0
103.73067	1.2
110.97543	15.9
110.98204	1.4
112.89595	2.1
112.99112	2.6
114.00357	1.2
116.98608	34.1
118.53067	1.1
122.01380	1.4
124.99105	1.9
128.98601	31.2
131.00154	4.5
131.01880	11.4
131.06651	1.1
134.99643	14.2
137.01863	6.8
137.51944	1.9
138.95558	1.4
140.98567	3.0
143.00160	6.2
143.01857	9.3
143.51988	1.8
146.99634	24.4
149.02003	1.5
152.02429	3.7
152.98624	2.3
155.00110	2.2
158.02533	1.5
158.99635	42.6
161.01216	10.8
161.02948	5.1
162.99089	2.1
164.02380	1.3
165.00713	3.4
170.99626	52.0
173.01247	5.2
173.02948	12.3
173.53049	3.1
177.00696	56.0
182.03488	1.9
182.99751	4.2
185.01216	4.0
185.02866	1.5
188.03430	1.9
189.00693	89.2
191.02299	3.2
194.03397	2.1
195.01740	4.3
200.02283	2.2
201.00688	22.0
203.02211	4.6
203.04019	9.1
203.54022	3.4
205.00060	1.3
207.01747	11.1
210.04813	1.8
212.02235	3.6
212.04347	2.6
213.00635	6.7
215.02188	1.7
215.04048	2.0
219.01749	42.3
219.03891	2.2
221.05249	1.4
223.55301	1.2
224.04608	3.8
225.00658	1.7
231.01765	14.7
237.02792	20.8
237.05106	1.9
243.01825	5.5
245.03088	1.9
245.05147	3.9
249.02849	2.8
254.05577	2.2
255.01715	3.0
255.03976	2.3
261.02798	25.8
265.02130	1.5
267.01740	2.2
273.02634	5.6
279.03882	17.6
284.06671	13.6
284.56696	1.6
285.02869	4.0
291.03854	46.1
291.06802	1.6
293.07175	2.2
297.04727	3.8
303.03650	1.6
309.04883	100.0
310.04980	1.8
315.03976	2.7
321.04868	22.8
327.05872	3.8
332.06494	5.3
333.04895	3.3
335.08353	1.5
339.05878	1.8
345.04919	5.0
351.05899	21.5
363.05920	50.0
365.09372	12.8
365.59308	5.3
381.07001	97.4
399.07843	6.2
404.08978	1.5
405.06976	11.4
422.09500	1.8
423.08066	94.9
424.08331	1.5
435.07983	2.4
441.09283	1.9
453.09064	11.7
483.10434	1.6
543.12195	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	603.3154
Annotation	trapoxin A
Peak:m/z	Relative Intensity
51.02397	1.9
53.03941	6.1
55.01866	12.0
55.05504	27.2
57.00280	1.4
57.02564	1.2
57.03434	13.3
59.05016	1.4
61.08206	1.4
61.08581	1.4
67.05499	36.2
69.03428	8.6
69.07063	10.8
71.01720	3.4
71.04978	5.6
71.23455	1.2
73.02933	1.4
79.05486	42.6
81.03410	58.7
81.06572	1.8
81.07050	35.7
83.04977	16.9
83.08619	22.3
85.02901	28.0
85.06526	2.3
87.74788	1.2
91.05471	45.8
93.07030	31.5
95.01305	1.7
95.04964	49.8
95.08593	15.3
97.02883	7.1
97.06518	5.9
97.10153	11.6
99.04462	2.0
99.08094	1.4
103.05446	6.8
105.07026	33.3
107.04945	21.1
107.08595	16.8
109.02877	15.5
109.06528	8.4
109.10171	8.2
111.04420	11.8
111.08081	7.3
113.05954	1.8
115.05443	8.2
117.07024	15.2
117.68852	1.4
118.30187	1.9
119.04927	4.0
119.08577	19.9
121.02857	8.3
121.06506	12.3
121.10136	11.7
123.04403	6.6
123.08059	5.2
123.11736	2.7
125.02374	1.9
125.05935	1.6
125.09634	9.7
128.06212	5.6
129.05493	2.1
129.07004	20.7
131.04930	16.3
131.08557	17.3
133.06479	13.2
133.10094	11.1
135.04364	3.5
135.08061	5.5
135.11691	5.5
137.02339	4.4
137.05980	3.4
137.09579	2.4
139.03925	1.4
141.06970	5.5
142.07813	3.5
143.08601	7.2
145.02866	1.8
145.06485	20.8
145.10132	11.0
147.04413	8.7
147.08057	7.9
147.11658	11.4
149.05962	9.4
149.09576	9.8
151.07558	2.4
151.16457	1.5
153.07031	2.3
153.09065	2.7
153.12766	4.3
154.07796	1.8
155.08546	5.2
157.06514	9.2
157.10110	10.9
159.04433	2.4
159.08035	9.2
159.11710	3.6
160.05237	4.3
161.05960	23.4
161.09668	5.5
163.03915	2.5
163.11162	14.2
165.05583	1.9
165.06995	2.7
165.12778	3.0
167.08574	4.1
168.09297	1.7
169.06517	4.7
169.10115	2.9
171.04414	2.7
171.08028	8.2
171.11708	2.3
173.05963	27.3
173.09633	4.8
173.13290	1.9
174.06702	7.3
175.03923	3.5
175.07568	6.5
175.11159	9.2
177.05467	2.1
179.08534	1.8
181.10144	2.1
181.12238	5.2
183.08095	4.1
183.11690	3.2
185.05988	3.7
185.09575	3.4
186.06815	3.0
187.07530	13.7
187.11113	3.6
189.05449	23.8
189.09166	2.7
189.11263	4.6
191.07097	2.4
191.10678	6.2
193.10376	3.4
193.12215	34.0
195.08069	1.8
195.11702	1.6
197.09666	2.9
199.07590	4.9
199.11209	2.2
200.08231	1.7
201.05438	2.5
201.12775	2.0
203.07050	1.8
203.10625	1.9
205.12230	2.1
209.09564	2.0
209.13319	1.6
211.07640	2.8
211.11301	2.0
211.13246	37.5
211.15196	1.9
212.83348	1.4
213.09261	3.1
213.12828	1.7
215.07059	2.1
219.13803	1.8
223.11224	1.8
227.12688	9.2
229.12175	1.7
231.13773	2.5
237.12796	3.8
239.10956	1.5
241.12262	2.0
243.13853	2.3
245.15445	2.2
246.80209	1.6
255.13704	8.2
257.15393	4.2
265.12430	2.0
267.08807	1.8
267.15860	8.8
269.12320	12.0
270.12503	3.5
271.13232	3.0
273.14859	19.9
283.13107	12.2
285.10080	4.4
285.14767	10.5
285.17471	17.5
289.14346	5.5
291.15915	2.6
292.14246	1.6
299.16589	1.9
301.14294	83.8
303.15952	6.2
315.15875	1.8
319.15298	12.5
323.16312	2.4
326.07608	1.5
337.16296	1.8
341.17484	4.6
345.17227	2.1
357.16486	4.6
359.18643	2.8
367.22592	2.0
375.18015	24.4
393.19135	8.3
457.23950	2.4
459.27383	2.8
475.25009	2.7
477.28516	3.6
483.27267	1.7
493.25674	6.5
511.26746	7.1
529.28003	4.8
539.29944	3.0
543.29169	3.4
549.28705	2.1
555.29681	2.3
557.31274	2.3
567.29712	13.2
573.30682	21.0
585.30573	90.7
603.31592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01859	4.7
55.05502	21.5
57.03423	3.6
58.25919	1.4
65.03922	3.6
67.05496	44.5
67.60373	1.2
69.03407	3.5
69.07062	25.7
71.04980	4.1
71.62660	2.0
77.78355	1.4
77.97710	1.5
79.05050	2.7
79.05485	36.5
81.03416	4.8
81.07047	56.7
83.04971	6.8
83.08616	13.4
85.06522	2.7
91.05470	42.1
93.07029	37.3
95.04958	12.0
95.08595	32.9
97.06510	9.1
97.10160	7.2
99.08068	2.9
105.07018	42.6
107.04946	5.5
107.08585	29.4
109.06492	8.1
109.10135	15.7
111.08070	3.5
113.09673	2.2
117.06998	14.3
119.08574	40.4
120.02124	1.4
121.06493	4.7
121.10135	15.6
123.08051	5.1
123.11726	4.3
125.09597	4.7
128.06189	1.8
129.06995	5.2
131.08554	23.2
133.10109	33.4
135.08025	5.2
135.11676	11.3
137.09634	4.0
143.08539	4.3
145.06448	1.9
145.10097	18.0
147.04381	3.0
147.08093	1.7
147.11652	20.6
149.09605	11.4
149.13225	7.9
151.11163	4.4
155.08539	2.8
157.10120	6.5
159.11662	11.2
161.09618	3.5
161.13219	6.9
163.11157	7.2
165.28232	1.4
169.10065	3.0
171.11687	6.7
173.11809	3.0
173.13229	7.0
175.11160	2.8
175.14879	3.2
177.12759	4.1
179.14230	2.2
181.12212	2.1
183.11708	3.5
185.13235	4.9
187.11110	1.5
188.01794	1.6
189.11212	5.7
189.12788	2.7
189.16368	1.8
193.12277	2.6
195.12111	1.9
195.13753	9.0
197.13249	4.1
199.14836	2.8
201.16376	1.9
205.15901	1.5
211.00867	1.6
213.16609	1.9
215.14256	1.5
219.17339	2.2
229.19476	2.9
235.16922	3.2
239.17944	7.0
241.19647	1.6
247.20551	2.6
251.20064	1.6
257.18875	6.9
263.19958	2.1
273.18396	2.2
275.20029	100.0
277.21640	5.0
279.05374	1.9
291.19510	3.5
293.21085	15.9
367.17889	1.9
451.32098	2.5
469.32913	1.8
473.32181	1.9
487.34103	2.8
549.39038	2.0
567.40002	3.9
585.41223	3.2
603.25610	3.9
603.42139	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	603.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76822	1.7
53.03934	2.5
55.01874	4.8
55.05503	20.6
57.03424	3.2
57.07056	2.1
61.79362	2.0
62.49586	2.2
67.05156	3.0
67.05501	41.0
67.10683	2.1
69.06762	2.1
69.07063	22.3
70.89182	6.7
71.04969	3.3
79.05486	34.7
81.03403	4.5
81.07048	55.3
83.04958	7.4
83.08611	10.3
85.06534	3.6
89.71146	2.0
91.04948	3.6
91.05470	44.4
91.69556	2.3
93.07033	37.3
95.04951	10.9
95.08600	32.9
97.06505	8.1
97.10156	6.9
99.08074	2.4
103.92387	1.9
105.07023	38.6
107.04941	3.2
107.08590	29.1
109.06523	5.5
109.10139	16.3
110.25310	1.8
111.08081	3.1
117.07001	14.2
119.08568	41.6
121.06480	5.5
121.10129	19.9
123.08067	5.0
123.11700	4.6
125.09565	7.7
129.07001	5.9
131.08586	18.6
132.76042	1.9
133.10114	37.1
135.08044	5.6
135.11673	8.2
137.09567	7.1
141.06915	3.6
143.08536	5.1
144.78436	2.1
145.10091	18.1
147.07996	2.4
147.11682	14.5
149.09607	6.1
149.13239	10.2
151.11160	3.7
155.08553	4.2
157.10074	4.7
159.11700	14.1
161.13184	9.7
163.11180	6.7
169.10112	2.7
171.11615	4.5
173.11896	1.9
173.13222	9.2
175.11139	3.7
175.14758	2.5
177.12746	5.8
183.11699	4.5
185.13281	2.9
187.11229	2.8
189.11183	3.4
195.13799	7.5
197.13141	4.3
201.16365	2.4
219.05530	1.9
219.13811	2.0
229.19563	2.3
231.17462	3.0
235.16844	5.0
239.17929	7.2
247.20630	3.1
257.18991	7.2
275.20035	100.0
276.20551	2.7
277.21588	3.5
293.20959	15.8
304.96829	2.1
317.24774	3.5
598.19965	2.1
630.33740	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01852	12.5
55.05503	47.1
57.03411	12.8
57.07069	12.4
65.03935	4.0
67.05157	5.3
67.05495	58.9
69.07053	29.6
71.08619	30.1
79.05484	63.3
81.03414	9.5
81.07045	100.0
83.04971	9.3
83.08611	35.7
91.05463	58.4
93.07025	67.1
95.04951	37.3
95.08603	48.3
97.06528	10.1
97.10152	27.0
99.08086	15.7
105.07010	40.4
107.04958	16.1
107.08575	47.6
109.06495	17.7
109.10158	17.3
111.04448	7.7
111.08061	8.9
114.36969	3.8
117.06974	21.8
119.08575	44.7
121.06493	10.9
121.10115	42.7
123.08043	11.8
123.11679	9.7
125.09643	15.1
129.06999	9.4
131.08551	17.4
133.10097	30.0
135.08017	12.8
135.11688	32.9
137.09628	7.2
139.68752	4.3
143.08557	9.9
145.10114	21.3
147.08003	15.1
147.11665	9.7
149.09637	18.1
149.13271	9.0
151.11198	8.9
153.09062	5.6
155.08632	4.1
157.10126	7.0
159.11748	12.9
161.09636	11.3
161.13234	7.9
163.11195	22.9
171.11604	6.3
175.11116	5.3
178.00905	4.4
179.14296	67.1
185.13332	4.9
189.11182	11.4
189.12769	4.9
191.10602	5.2
193.12257	9.8
207.17438	6.5
217.15790	6.3
223.13290	13.2
227.12645	4.0
235.16856	6.8
242.63696	4.3
248.68468	4.5
249.14842	7.2
255.17448	7.4
257.19058	7.9
259.20422	6.3
273.18521	32.0
275.20062	53.6
277.21619	68.6
291.19537	94.3
293.21088	30.2
309.20422	4.8
313.27304	9.7
349.23849	5.2
354.55969	4.2
375.87445	4.2
568.63110	4.8
603.46252	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	604.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69797	0.1
53.03943	0.2
55.05497	0.1
61.38262	0.1
67.05494	0.3
69.03403	0.1
69.07041	0.2
70.06585	0.2
70.22923	0.5
70.23296	0.2
77.03934	0.1
78.04698	1.0
79.05473	0.8
81.03411	0.1
81.07027	0.3
85.02873	0.5
91.05463	0.8
93.07036	0.7
95.04971	0.6
96.05743	0.1
98.21429	0.2
103.05463	0.3
105.07011	0.7
106.04144	0.5
107.04949	1.3
107.08549	0.2
109.02831	0.2
109.06475	0.1
109.10110	0.1
115.05457	0.1
119.04890	0.1
119.08573	0.2
121.02927	0.1
121.06481	0.6
122.03612	0.2
123.04407	3.2
123.08050	0.2
124.05209	1.4
125.05940	0.2
128.06232	0.1
129.06940	0.3
133.06454	0.5
133.10132	0.2
134.03627	0.2
135.04422	0.2
137.02350	0.1
137.05937	0.4
140.04601	0.2
142.03325	0.1
145.10123	0.1
147.04362	0.6
147.08115	0.2
149.05962	0.9
151.03937	0.6
151.07491	0.2
152.04662	1.2
153.01733	0.1
153.05466	0.1
157.06487	0.2
161.05995	0.7
163.07495	0.2
165.05478	0.1
166.06209	0.2
167.07013	100.0
168.07343	0.9
175.07500	0.8
179.06996	0.4
181.08562	2.0
191.06918	0.1
193.06812	0.2
193.08577	4.4
200.89986	0.2
211.09627	12.8
223.09566	0.4
269.07919	0.2
301.10577	0.2
329.13849	0.2
347.14856	2.0
358.10748	0.1
371.14673	0.2
385.16562	0.2
435.02985	0.2
512.16437	0.3
586.30750	0.1
604.34015	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05010	0.3
57.03411	0.5
60.41556	0.3
61.02896	0.5
62.06093	0.6
67.05500	1.7
69.03413	1.9
69.07049	1.5
70.06578	0.9
70.21925	0.7
70.22324	0.8
71.04988	0.6
71.07346	0.5
71.08621	4.7
72.08134	1.2
73.09467	0.3
79.05460	0.9
81.03392	0.8
81.07037	4.0
83.08601	0.5
84.08115	1.2
84.37417	0.3
85.02882	2.3
86.05561	0.6
86.06057	8.0
87.04436	0.3
91.05470	2.0
93.07040	1.2
95.04930	0.4
95.08591	2.1
96.08119	2.5
97.02865	1.1
97.06530	0.7
98.06090	0.6
98.09679	3.4
99.04428	0.6
99.08073	2.5
105.06973	1.6
107.08548	1.4
108.07481	0.3
108.08102	1.7
109.02856	0.6
109.06496	0.6
109.10139	0.4
113.08286	0.3
114.09146	0.5
116.10713	26.2
119.08543	1.2
121.10106	0.6
122.09621	1.2
123.08110	0.4
123.11652	0.8
124.07606	0.6
126.09133	0.6
127.03899	0.7
131.08548	0.6
133.10068	0.7
136.11220	0.7
141.93425	0.3
142.08676	0.5
142.12271	0.4
143.10635	2.7
144.86337	0.3
145.10126	0.4
147.11682	2.7
150.12732	0.4
154.15884	2.4
157.10091	0.9
164.14389	0.6
165.12691	0.5
166.15877	2.1
168.17488	0.8
175.11102	0.9
178.15881	1.4
184.07404	0.4
193.12263	0.5
196.16946	6.3
200.65663	0.3
214.17986	100.0
215.18280	0.7
229.14330	0.7
234.22195	0.3
237.14836	0.4
242.12567	0.3
255.15800	0.4
266.20996	0.4
282.24374	1.6
284.22153	1.4
290.75366	0.3
308.22073	1.8
326.23132	1.6
344.24255	24.4
376.23175	1.4
424.30466	1.0
442.31583	19.0
450.35333	0.3
506.29620	4.8
586.35248	0.5
604.37006	3.0
630.93921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
55.05505	3.8
56.05054	0.6
57.03430	0.6
61.02924	0.7
62.06056	0.9
67.05499	5.5
69.03416	4.5
69.07053	2.3
69.80071	3.7
70.06593	1.1
71.04987	1.5
71.08629	4.7
72.08134	2.4
73.02901	1.3
79.05495	2.9
81.03400	2.5
81.07047	9.6
82.03739	0.7
82.26928	0.5
83.04949	1.6
83.08591	1.7
84.08144	0.8
85.02903	6.3
85.06542	0.8
86.06059	25.2
86.09653	0.5
87.04447	0.8
91.05467	4.4
93.07033	3.8
94.06522	0.6
95.04930	1.3
95.08584	3.4
96.08133	3.6
96.08649	0.4
96.08928	0.5
97.02867	3.7
97.06522	1.8
98.06050	1.2
98.09689	8.4
98.21291	1.6
99.04430	1.1
99.08077	4.3
105.07028	4.4
107.08581	2.1
108.08110	2.8
109.02863	1.1
109.06503	1.4
109.10124	1.3
114.09200	0.8
116.10721	57.2
119.08581	3.4
121.10116	1.6
122.09620	1.8
123.11700	1.9
124.07568	0.5
127.03910	1.9
129.06966	0.9
131.08517	1.1
133.10098	2.7
134.09595	0.6
135.07968	0.6
135.11700	0.5
136.11140	0.9
138.09068	1.1
140.10655	0.6
142.08611	2.2
142.12251	1.5
143.10664	5.4
145.04948	0.8
145.10016	0.8
147.11668	7.3
147.46159	0.5
149.13234	0.7
154.15767	0.6
157.10103	2.4
165.08948	0.8
165.12776	1.8
168.09256	0.5
175.07471	0.5
175.11157	2.1
179.54358	0.5
180.14014	0.5
184.07335	0.8
193.12233	0.7
196.17049	1.5
214.17998	22.2
229.14383	1.0
236.16551	0.6
237.02748	0.7
237.14897	1.0
248.19998	0.8
255.15854	1.0
261.13354	1.8
264.23230	1.0
266.21115	1.8
279.03949	0.8
282.24252	8.0
284.22073	3.5
290.21292	0.8
308.22177	7.7
311.28888	0.8
326.23230	8.9
335.02899	0.7
344.24283	100.0
345.24609	1.5
424.30527	2.9
442.31638	35.0
443.31961	0.8
451.32166	1.2
488.28531	0.8
506.29578	21.5
586.36584	1.4
604.37939	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	604.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52755	0.7
53.03930	0.9
55.01866	5.6
55.05259	1.1
55.05505	15.9
55.27935	0.8
57.03413	1.4
57.07067	2.1
59.04973	0.9
63.34911	0.8
65.03930	1.2
67.05161	1.2
67.05500	17.4
69.03410	3.2
69.07056	6.0
69.89830	5.0
71.04977	0.9
71.08607	1.3
72.03262	0.7
79.05482	20.1
81.03395	2.7
81.07048	41.1
83.04974	7.0
83.08607	11.7
85.02892	1.0
85.06524	1.4
85.10150	0.9
91.05470	11.9
93.06465	1.2
93.07031	16.8
95.04964	13.4
95.08601	11.6
97.06510	2.4
97.10160	17.9
98.20811	1.1
105.07012	9.7
107.04961	4.0
107.08579	12.6
109.06498	4.8
109.10150	6.2
111.04440	8.1
111.08067	3.8
117.07005	9.5
119.04876	1.5
119.07777	1.5
119.08567	19.9
121.06509	4.7
121.10135	9.3
123.08066	7.1
123.11700	1.7
125.09621	12.5
129.06993	4.0
131.08556	8.8
133.06465	2.2
133.10133	5.4
135.08051	4.8
135.11691	4.4
137.09576	2.9
139.11168	1.2
143.08563	4.2
145.10092	10.3
147.08041	9.3
147.11658	2.8
149.09595	5.1
149.13295	1.1
153.09099	5.4
153.12715	3.3
157.10095	3.2
159.08047	1.3
159.11684	5.9
161.09630	4.3
161.13222	1.3
163.11133	8.9
165.09106	3.7
169.10152	1.2
171.10257	1.5
171.11649	3.2
173.09598	2.7
173.11723	1.1
173.13235	1.4
175.11189	2.6
181.12207	4.8
185.13231	2.0
187.14674	1.2
189.11186	14.3
189.12711	1.6
191.10638	5.0
195.11696	1.8
203.14226	1.3
209.11679	1.1
213.12772	1.4
223.13220	5.5
227.12776	7.9
227.17885	1.8
243.21086	1.1
245.18982	2.0
249.14792	3.1
255.17487	2.6
261.22067	2.1
273.18445	23.2
275.20020	3.1
277.21826	1.4
291.19507	100.0
292.19971	4.0
309.20602	5.4
413.30331	1.1
431.31421	1.8
458.99442	0.8
533.39587	1.7
551.40637	2.7
569.41675	2.5
604.46503	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	604.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01858	3.7
55.05503	25.7
67.05496	26.8
69.07056	11.3
71.05000	2.2
71.26366	1.1
71.34489	3.4
79.05051	2.1
79.05481	26.8
81.03403	4.1
81.07046	26.0
83.04973	5.7
83.08609	20.3
91.05467	31.6
93.07028	30.0
95.04364	1.6
95.04958	22.2
95.08585	20.2
95.09142	1.5
97.06512	5.3
97.10187	6.3
97.24859	1.2
105.06285	1.9
105.07011	31.0
107.04948	8.2
107.08582	18.2
109.06503	5.0
109.10141	9.1
111.08086	5.5
116.91181	1.2
117.06992	10.6
119.08559	31.2
121.06512	4.6
121.10126	18.3
123.08035	3.3
123.11704	2.9
125.09626	4.8
129.06978	4.5
131.08549	17.3
133.10104	27.2
135.08037	4.1
135.11664	8.1
137.09579	3.5
139.11180	2.0
141.06973	2.3
143.08527	3.1
145.06516	1.2
145.10115	20.4
147.08084	1.3
147.11662	14.6
149.09604	22.9
149.13232	3.0
151.11159	3.0
155.08563	3.5
157.10083	4.8
159.11700	12.3
161.09567	2.9
161.13261	5.8
163.11160	23.8
165.12746	2.8
167.08505	1.4
169.10118	4.1
171.11682	4.4
173.13226	6.5
175.11172	2.8
177.12727	2.9
183.11653	4.7
185.13264	2.9
187.08199	1.3
187.11217	1.7
189.11153	3.2
189.12775	2.2
197.13255	4.0
201.16197	1.6
215.14217	1.4
215.17976	1.6
223.13185	12.8
229.19533	3.3
239.17891	7.4
247.20477	2.6
257.18933	12.7
259.20584	5.6
275.20029	100.0
276.20609	5.4
277.21542	13.6
293.21060	27.7
301.21689	2.8
341.91162	1.2
397.33347	1.4
407.29819	1.6
421.28070	1.4
423.32663	2.0
441.33472	4.0
443.31302	1.5
494.30023	1.4
533.39819	1.9
551.40906	2.8
569.42023	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
55.01850	4.3
55.05508	12.1
57.03432	11.7
57.07045	1.7
59.04993	1.8
61.02921	32.9
65.03938	1.4
67.05161	2.1
67.05497	29.0
69.03069	2.1
69.03423	28.9
69.07064	8.1
71.04981	5.4
71.60960	2.0
73.02903	11.4
73.06548	1.6
75.63732	1.1
79.05485	44.0
81.03408	27.8
81.07047	29.7
83.04983	12.8
83.08617	6.0
84.94514	1.3
85.02895	53.2
85.06539	3.8
87.04450	6.2
91.03941	17.2
91.05472	41.1
93.07028	48.4
95.04966	17.4
95.08601	18.1
97.02879	34.8
97.06511	4.1
97.10136	3.0
99.04427	8.0
99.45241	1.4
101.02348	3.6
101.29203	1.3
103.03922	5.0
103.05493	1.8
105.06368	2.4
105.07024	31.8
107.04951	9.1
107.08590	15.9
109.02847	11.9
109.06518	6.6
109.10143	5.6
111.04449	2.4
111.08068	2.2
111.88579	1.1
115.03904	2.1
115.05447	2.0
117.06993	11.6
119.04948	1.7
119.07763	2.2
119.08568	21.7
121.06483	4.5
121.10124	7.2
123.04417	3.9
123.08048	5.9
125.06006	2.3
125.09674	1.9
127.03903	20.6
128.06210	5.1
129.05455	3.4
129.06975	16.5
131.04900	2.0
131.08574	10.6
133.06447	4.1
133.10110	10.8
135.04399	1.2
135.08046	3.3
135.11700	1.8
137.05974	2.8
137.09592	2.5
139.03873	2.5
141.06940	2.4
142.07823	1.3
143.08530	10.2
145.04912	7.5
145.06462	3.0
145.10083	10.8
147.08009	5.8
147.11658	30.2
147.12784	2.3
149.05946	2.0
149.09593	2.5
151.03867	2.2
151.07555	1.6
153.01810	1.7
153.05441	1.8
155.08533	2.4
157.06503	1.6
157.10118	4.1
159.08022	4.3
159.11713	4.1
161.06085	1.2
161.09581	6.5
161.13190	9.0
163.03906	2.0
163.06075	1.8
163.07504	2.3
163.11116	2.3
165.09155	1.4
167.07027	3.2
167.08430	1.4
169.10083	3.2
171.08058	3.7
171.11667	23.1
173.04364	3.6
173.09541	2.4
173.13261	1.9
175.07422	1.3
175.11139	2.6
175.14748	1.5
177.12813	1.4
181.10077	2.2
183.06552	2.9
183.11700	2.1
185.13191	2.9
189.12726	10.7
191.14288	2.3
193.08571	1.3
197.13300	1.9
199.14781	2.0
201.07526	1.3
201.12782	2.0
203.14290	2.8
205.12149	1.7
207.13777	37.0
209.13326	1.5
211.14722	1.8
215.14249	1.3
217.15880	1.7
219.13861	2.3
221.13361	1.5
221.15309	2.1
223.14879	2.8
223.59828	1.5
225.12802	1.6
225.14804	5.3
233.15327	2.5
241.15828	1.8
251.14284	1.7
257.15237	1.6
259.16907	3.5
269.15314	4.7
281.17444	100.0
282.17706	1.4
287.16370	8.0
295.19235	2.6
302.92206	1.4
309.17017	6.1
323.18384	5.9
331.12158	2.2
333.20667	2.7
343.18973	1.5
351.18045	2.7
361.19922	7.6
373.13303	1.6
379.21100	2.9
389.19519	5.5
407.20526	5.8
407.25507	2.4
425.21796	15.9
425.26816	2.2
443.22537	7.4
443.27863	3.8
605.18719	2.7
605.32251	5.2
605.43097	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01865	16.5
55.05505	29.6
56.32613	1.4
57.03431	8.3
57.07069	53.1
65.03933	2.6
67.05497	71.6
69.03413	3.3
69.07060	29.4
71.04973	3.2
71.08627	34.4
71.55838	2.4
79.05486	46.0
81.07047	92.5
83.04954	6.9
83.08606	24.6
85.06541	4.2
85.10171	18.0
91.05470	32.6
91.06002	2.3
92.38473	1.5
93.07030	34.7
95.04960	10.2
95.08599	55.8
95.46675	1.6
96.08937	1.6
97.06518	20.1
97.07050	1.9
97.10155	13.5
98.98512	1.4
99.08090	1.8
105.07021	44.9
107.04945	18.1
107.08578	37.9
107.09267	2.4
109.06513	13.6
109.10149	29.2
109.10902	1.6
111.08073	3.3
111.11697	2.1
112.02043	1.4
115.05503	1.3
117.06991	10.4
119.08568	30.7
121.06514	3.4
121.10115	19.2
123.08088	4.2
123.11687	12.2
125.09663	8.9
125.13283	1.7
129.06964	3.2
131.08548	16.0
133.10130	25.7
135.08073	6.2
135.11703	6.5
137.09645	5.1
137.13284	4.2
141.06998	2.3
143.08548	2.2
143.52704	1.3
145.10107	22.5
145.11142	2.1
147.08090	2.2
147.11656	20.2
149.09593	27.1
149.10707	1.9
149.13301	3.3
151.11159	2.0
151.14943	1.6
155.08609	1.7
157.10115	3.4
159.11696	12.0
161.13303	5.7
163.11177	10.5
165.09125	1.4
165.12750	4.0
169.10158	3.1
171.11732	4.9
173.13184	6.8
175.11278	2.5
177.12770	2.9
179.10629	1.9
179.14240	1.4
183.11737	2.7
187.11191	2.6
187.14848	1.5
189.11276	5.1
193.12265	2.3
194.48042	1.4
197.13379	4.2
201.12772	2.0
203.45897	1.3
205.12311	1.7
207.13937	1.9
215.17986	1.9
227.12775	16.7
227.14607	1.7
229.19615	5.1
231.17389	1.6
233.15504	1.6
239.17975	6.0
239.23651	6.9
247.20674	3.9
257.18994	15.8
265.21704	1.7
275.20026	100.0
276.20294	1.6
293.21060	13.1
313.27335	68.4
314.27762	1.9
331.22452	6.4
349.23685	49.0
467.03354	1.4
483.36929	2.2
587.46686	54.4
588.47247	1.9
605.47943	65.4
606.48907	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
64.11420	0.6
67.01850	2.0
67.05455	0.7
68.99779	3.2
69.03405	2.4
69.70447	4.1
70.06592	1.4
79.05477	0.9
84.08123	0.7
85.02895	1.3
86.09697	1.1
91.05446	0.6
97.02906	0.7
106.86213	0.6
111.04433	2.0
120.08179	0.8
121.02843	2.2
123.04404	2.4
127.03887	1.8
131.04884	0.8
135.04376	0.7
135.43187	0.7
139.03882	27.6
146.13321	0.7
147.04375	1.6
147.11655	0.7
151.03914	0.8
153.01808	75.3
155.03568	0.9
155.04883	2.5
157.06477	1.4
163.03886	82.1
164.04274	1.0
171.02951	0.7
171.04292	0.9
173.05957	2.8
178.52736	0.6
179.03424	4.0
181.01320	6.2
183.04408	5.2
185.05965	2.1
191.03380	1.0
195.04446	1.1
197.05902	1.6
199.03886	1.6
200.04573	1.0
201.05455	5.0
211.03865	3.9
213.05428	5.5
215.03372	2.9
217.04999	0.8
219.02853	1.2
223.03839	1.8
225.05544	1.2
227.03281	1.1
229.04956	7.9
239.03374	11.5
241.04880	8.2
243.02890	4.2
245.04492	3.9
246.05402	1.3
252.91238	0.8
253.04941	0.8
255.02814	1.9
257.04449	4.5
258.05106	1.5
259.05966	4.7
261.03928	7.3
265.04962	1.7
265.11664	1.4
267.06409	1.0
269.04477	1.4
271.05981	3.1
273.03876	7.9
274.04651	0.9
275.05334	4.1
278.08054	1.2
281.04465	1.5
283.05829	0.9
283.12076	0.9
285.03894	100.0
286.04266	1.5
287.05319	1.2
297.03943	1.9
303.06512	0.9
307.12192	0.9
309.03882	2.3
311.05283	1.9
313.03445	3.1
319.04541	1.5
331.05847	1.4
335.05402	1.6
337.03375	2.3
337.07031	0.9
347.05432	1.2
349.06815	1.7
359.05386	1.6
361.06964	0.9
363.04871	2.2
375.04855	1.8
377.06540	2.6
379.04407	1.2
387.04868	2.9
389.05933	1.0
393.05963	2.0
403.04581	1.2
404.05090	1.0
405.05997	3.5
409.05432	1.0
411.07419	1.0
412.11642	1.4
415.04425	1.4
417.06091	1.4
421.05609	9.9
427.06595	8.2
427.16177	1.9
433.05432	2.5
439.06570	8.7
451.06607	6.8
463.06519	2.6
469.07608	12.9
571.06219	0.8
589.09821	17.4
590.09833	1.0
607.07031	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
64.11420	0.6
67.01850	2.0
67.05455	0.7
68.99779	3.2
69.03405	2.4
69.70447	4.1
70.06592	1.4
79.05477	0.9
84.08123	0.7
85.02895	1.3
86.09697	1.1
91.05446	0.6
97.02906	0.7
106.86213	0.6
111.04433	2.0
120.08179	0.8
121.02843	2.2
123.04404	2.4
127.03887	1.8
131.04884	0.8
135.04376	0.7
135.43187	0.7
139.03882	27.6
146.13321	0.7
147.04375	1.6
147.11655	0.7
151.03914	0.8
153.01808	75.3
155.03568	0.9
155.04883	2.5
157.06477	1.4
163.03886	82.1
164.04274	1.0
171.02951	0.7
171.04292	0.9
173.05957	2.8
178.52736	0.6
179.03424	4.0
181.01320	6.2
183.04408	5.2
185.05965	2.1
191.03380	1.0
195.04446	1.1
197.05902	1.6
199.03886	1.6
200.04573	1.0
201.05455	5.0
211.03865	3.9
213.05428	5.5
215.03372	2.9
217.04999	0.8
219.02853	1.2
223.03839	1.8
225.05544	1.2
227.03281	1.1
229.04956	7.9
239.03374	11.5
241.04880	8.2
243.02890	4.2
245.04492	3.9
246.05402	1.3
252.91238	0.8
253.04941	0.8
255.02814	1.9
257.04449	4.5
258.05106	1.5
259.05966	4.7
261.03928	7.3
265.04962	1.7
265.11664	1.4
267.06409	1.0
269.04477	1.4
271.05981	3.1
273.03876	7.9
274.04651	0.9
275.05334	4.1
278.08054	1.2
281.04465	1.5
283.05829	0.9
283.12076	0.9
285.03894	100.0
286.04266	1.5
287.05319	1.2
297.03943	1.9
303.06512	0.9
307.12192	0.9
309.03882	2.3
311.05283	1.9
313.03445	3.1
319.04541	1.5
331.05847	1.4
335.05402	1.6
337.03375	2.3
337.07031	0.9
347.05432	1.2
349.06815	1.7
359.05386	1.6
361.06964	0.9
363.04871	2.2
375.04855	1.8
377.06540	2.6
379.04407	1.2
387.04868	2.9
389.05933	1.0
393.05963	2.0
403.04581	1.2
404.05090	1.0
405.05997	3.5
409.05432	1.0
411.07419	1.0
412.11642	1.4
415.04425	1.4
417.06091	1.4
421.05609	9.9
427.06595	8.2
427.16177	1.9
433.05432	2.5
439.06570	8.7
451.06607	6.8
463.06519	2.6
469.07608	12.9
571.06219	0.8
589.09821	17.4
590.09833	1.0
607.07031	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.18143	0.2
70.42442	0.9
97.61974	0.2
98.20924	0.3
114.94751	0.2
115.30428	0.2
120.36664	0.2
167.47408	0.2
206.43811	0.2
232.87848	0.2
235.12277	0.3
354.16141	0.3
374.15259	0.5
375.16159	0.4
387.16150	0.5
388.16837	0.8
389.17560	2.1
390.18408	1.0
391.19196	1.0
400.17181	0.4
401.17758	0.4
402.14026	0.4
402.18527	0.9
403.14722	0.4
403.19473	3.2
404.20056	1.8
405.20795	2.6
416.15900	0.5
417.16083	2.8
417.21033	1.8
418.17651	0.9
418.21631	1.1
419.22385	5.7
420.23108	0.8
430.17282	0.5
430.22208	0.4
431.18237	7.1
432.18997	2.8
433.20078	3.6
434.20978	0.4
435.22113	0.3
441.16995	0.3
444.19211	0.5
445.20200	4.5
446.20859	6.7
447.21689	7.2
448.22452	0.7
457.20248	0.3
458.21182	0.4
459.17123	0.6
459.21799	1.3
460.18851	0.7
461.19180	1.6
462.24384	0.8
473.18967	0.7
473.23969	0.7
474.20361	4.2
475.20987	4.4
476.21973	0.5
477.23026	0.7
478.23526	0.6
487.20850	1.2
490.23560	0.3
491.20093	3.1
501.22842	1.3
503.24731	0.3
505.22345	0.9
506.22919	0.5
519.24084	14.8
520.24500	0.4
547.23315	12.0
548.23529	0.5
551.26135	0.4
561.24500	0.5
579.25977	5.5
580.25970	0.3
589.24030	0.4
607.25421	100.0
608.25775	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.02370	0.4
54.57830	0.3
55.05416	0.7
57.06977	0.7
57.07236	0.3
63.29021	0.2
67.05393	1.5
67.05775	0.5
69.06963	0.7
69.07301	0.2
70.17247	0.5
70.17661	0.8
73.59595	0.2
79.05373	1.4
81.06936	2.2
81.07442	0.5
81.14997	0.2
83.08515	0.7
90.36145	0.2
91.05361	1.5
93.06912	1.5
94.86348	0.2
95.04893	0.3
95.08579	1.3
97.06432	0.4
97.10054	0.2
98.21400	0.3
100.71712	0.3
105.06886	1.4
107.04836	0.3
107.08458	0.9
109.06385	0.6
109.10010	0.7
110.10385	0.3
112.49895	0.2
117.06890	0.5
119.08569	1.1
121.10035	0.6
129.06880	0.3
131.08400	1.0
133.09959	0.8
135.11572	0.3
137.73097	0.2
145.09956	0.7
146.05962	0.3
147.11563	0.5
157.09996	0.3
159.11526	0.6
161.13126	0.3
171.11703	0.2
195.08878	0.3
197.13129	0.3
207.09094	0.3
209.10641	0.4
211.12125	0.2
219.17448	0.5
233.10742	0.3
247.12047	0.3
257.18927	0.3
259.20230	0.2
272.11456	0.3
275.19995	1.5
276.20337	0.6
277.20871	0.3
300.14590	0.3
312.14835	0.3
313.27350	0.5
314.27560	0.5
326.12601	0.4
332.22855	0.2
340.14249	0.4
350.24326	0.3
351.24579	0.3
362.16296	0.3
373.14117	0.4
374.15164	0.3
375.16034	1.0
376.17325	0.3
386.15704	0.3
387.16000	1.0
388.17017	1.2
389.13028	0.3
389.17627	3.2
390.18359	1.1
391.19073	0.8
401.17639	0.7
402.14035	0.5
402.18915	1.2
403.19385	5.8
404.20163	2.9
405.20831	3.1
406.21191	0.3
415.19196	0.7
416.15497	1.3
416.20840	0.4
417.16000	4.4
417.20959	2.9
418.17566	1.1
418.21472	1.1
419.22415	7.8
420.22845	0.7
429.16418	0.4
429.21506	0.3
430.17752	1.0
431.18243	8.5
432.19086	3.3
433.20035	2.6
434.21008	0.4
435.21585	0.3
441.16867	0.4
443.18796	0.6
444.19296	0.8
445.20139	7.2
446.15265	0.5
446.20996	7.9
447.21780	12.2
448.22134	0.8
459.17896	2.3
459.22287	1.4
460.18906	1.2
461.19357	1.7
462.24088	0.6
463.25607	1.5
473.19263	1.1
473.23615	1.0
474.20425	11.5
475.21173	13.0
476.21494	0.8
477.23056	0.6
478.23615	0.3
487.21286	3.1
488.21930	1.0
490.24039	2.2
491.20819	1.8
501.22852	1.6
502.23395	0.4
503.24496	0.4
504.21408	0.7
505.22351	0.8
506.22888	0.6
518.23071	0.6
519.24060	14.8
520.23883	0.6
529.22375	0.4
532.21106	1.0
547.23352	67.8
548.23596	3.0
551.26465	0.5
561.25055	1.4
575.22858	0.3
579.17639	0.4
579.26062	4.6
588.46802	0.6
589.24542	0.8
606.47766	0.4
607.25470	100.0
607.42377	2.4
608.25806	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2544
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.21563	0.3
53.03930	0.5
53.86432	0.3
54.57867	0.3
55.01882	0.3
55.05500	1.3
56.96534	0.4
57.03424	0.5
58.64800	0.3
65.03939	0.3
67.05499	3.1
69.03414	0.6
69.07053	0.9
69.95341	0.3
71.04992	0.4
71.14815	0.3
71.63935	0.4
73.02881	0.3
74.58559	0.3
79.05477	2.9
81.03403	2.6
81.07047	4.0
83.04951	0.7
83.08617	0.8
85.02888	0.5
91.05461	1.8
93.07026	3.0
95.04899	0.5
95.08582	1.5
97.02909	0.6
97.06526	0.6
105.06986	1.6
107.08563	1.6
109.02906	0.6
109.10176	0.6
111.04399	0.4
117.07037	0.8
119.08596	1.1
121.10175	0.7
127.03843	0.6
131.08525	0.8
133.10135	0.9
135.11652	0.5
143.08490	0.3
147.11638	0.5
149.13243	0.7
159.11719	0.5
183.11597	0.4
195.13805	0.8
209.10799	0.4
221.10677	0.4
234.11531	0.4
234.80484	0.3
269.17484	0.4
314.12891	0.4
339.18188	0.5
374.15262	0.4
375.16428	0.4
387.16333	0.3
388.16840	0.7
389.17694	2.9
390.18375	1.1
391.19247	1.0
401.17609	0.7
402.14328	0.4
402.18912	0.6
403.15201	0.4
403.19324	3.1
404.19974	1.5
405.20773	2.5
416.16226	0.9
417.16211	4.2
417.21088	2.0
418.17807	1.0
418.22192	0.7
419.22348	6.4
420.23187	1.0
429.17184	0.4
430.17490	0.6
431.18329	7.3
432.19299	2.8
433.19864	3.3
443.18762	0.4
444.19476	0.4
445.20047	4.7
446.20975	7.7
447.21686	8.4
448.23041	0.6
459.17334	0.7
459.22180	1.2
461.19336	2.1
462.24634	0.6
463.20908	0.7
463.30545	0.6
473.19263	0.6
473.24036	0.6
474.20383	4.1
475.21054	4.3
476.21960	0.6
477.23068	0.8
487.21429	1.9
488.22202	0.5
490.23883	0.6
491.19949	2.1
501.22824	0.9
503.29919	0.5
504.21716	0.7
505.22388	0.5
506.23297	0.6
519.24066	17.2
520.24121	0.7
529.22766	0.4
533.22302	0.3
547.23328	13.7
561.24982	0.5
575.22449	0.4
579.25989	5.6
607.25464	100.0
607.33850	4.4
608.25916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2896
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.91705	0.3
57.42604	0.4
64.58521	0.3
89.19190	0.3
91.26575	0.3
93.64293	0.3
141.49651	0.4
298.13065	0.4
342.98251	0.4
348.65405	0.4
387.16226	0.4
388.16928	0.8
389.17648	1.8
390.18741	0.5
401.17776	0.7
402.18356	1.6
403.19153	4.9
404.19809	1.8
405.20767	2.3
415.19284	1.0
416.20029	1.4
417.21155	5.5
418.21756	2.4
419.22311	5.9
420.22879	0.5
429.21207	0.4
430.16910	1.8
430.22723	0.5
431.18100	10.8
432.18335	2.5
432.23956	0.8
433.24008	10.3
434.24628	2.2
444.18732	0.5
444.23813	0.6
445.19736	14.2
446.20779	5.5
447.21619	5.5
459.21555	7.1
460.22351	14.6
461.23282	12.4
462.24240	0.6
473.23718	3.7
474.24088	1.1
476.21957	0.6
477.23041	0.8
487.25125	1.9
489.22916	0.8
491.25168	0.4
492.25128	1.0
505.21597	2.6
515.24225	0.7
518.22693	0.5
519.24139	1.4
519.26965	1.2
520.24500	0.5
532.24908	0.9
533.25482	0.8
547.26978	31.7
548.27338	2.7
564.26929	0.6
575.26147	1.1
578.24951	0.5
579.29694	0.9
607.29016	100.0
608.29572	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30084	13.2
56.87851	14.0
62.64434	15.0
92.79592	13.2
287.51398	15.4
456.82239	16.8
460.22394	39.9
461.23581	32.1
547.27161	100.0
548.27063	16.8
622.19574	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	607.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01860	4.4
55.05265	1.7
55.05507	21.6
56.96559	2.2
57.03438	7.2
58.22552	1.4
59.87549	1.4
61.02915	1.6
64.47258	1.4
65.03949	3.0
67.05497	56.9
69.03417	17.2
69.07059	20.2
69.37702	1.5
71.04985	6.9
71.13964	1.8
71.14306	1.8
73.02894	1.4
74.96748	1.3
79.05049	2.8
79.05484	40.7
81.02917	2.0
81.03408	56.2
81.07049	82.0
83.01311	1.8
83.04984	16.3
83.08601	13.0
85.02905	8.2
85.06539	4.9
91.05474	33.4
93.07031	53.0
95.04961	12.9
95.08589	26.5
97.02885	11.2
97.06510	9.7
99.04459	4.6
103.03884	1.7
105.07030	21.8
107.04955	3.7
107.08576	29.9
107.40806	1.3
109.02856	11.3
109.06501	5.4
109.10155	6.4
111.04453	7.4
111.08083	5.4
117.07023	11.5
119.08580	10.7
121.06496	4.5
121.10137	12.2
123.04440	1.8
123.08044	2.3
123.11707	6.2
123.99596	1.3
124.00904	1.6
125.09671	2.0
127.03915	6.0
129.06995	5.9
131.08546	14.9
133.06500	3.4
133.10132	14.4
135.08014	3.4
135.11696	8.8
137.09593	2.1
139.03871	3.0
139.11177	1.6
143.08527	3.5
145.06470	2.4
145.10138	5.2
147.04495	1.5
147.07990	2.8
147.11673	10.7
149.05945	1.8
149.09615	2.9
149.13234	21.7
149.30798	1.4
151.11221	2.0
155.08554	2.7
157.10129	4.3
159.11661	12.4
161.13263	3.1
165.12749	4.7
169.10158	2.2
171.08264	1.6
171.11694	3.1
173.04442	3.2
173.09631	2.1
173.13330	1.7
175.11263	2.0
177.12660	7.3
183.06541	1.9
195.13759	20.5
213.14888	3.6
219.13814	1.8
233.15408	2.1
249.15121	1.7
259.99234	1.3
267.15924	3.7
269.17499	13.2
273.14807	1.5
275.16504	3.1
285.14679	2.5
288.63580	1.5
292.80200	1.7
297.17004	1.7
303.15912	2.8
321.17017	4.3
339.18076	10.7
377.19696	3.0
395.20679	16.3
445.29785	7.4
463.30673	11.4
474.89120	1.7
479.29672	2.5
533.30658	2.1
589.33966	6.3
607.34723	100.0
608.34583	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01854	5.2
55.05252	2.2
55.05503	29.8
57.03413	9.1
57.07066	2.2
65.03913	4.0
67.05498	72.8
69.03419	12.2
69.06717	2.3
69.07059	28.2
69.07439	1.8
71.04991	7.4
71.62287	2.7
77.47404	1.2
78.61114	1.5
79.05484	50.7
81.03411	45.7
81.03895	2.1
81.07049	84.5
83.04975	12.7
83.08609	17.7
85.02876	6.0
85.06514	4.4
86.15186	1.5
91.05469	48.0
93.06457	3.3
93.07032	57.1
95.04961	14.7
95.08595	37.5
95.09212	1.5
97.02865	8.2
97.06525	11.7
97.10139	6.9
99.04438	3.7
99.08072	3.7
103.05431	2.8
104.44571	1.6
105.06357	2.8
105.07017	31.9
105.16051	1.4
107.04978	7.6
107.08587	33.2
109.02881	12.9
109.06487	6.2
109.10130	13.7
111.04417	6.8
111.08070	4.8
115.05405	2.3
117.06990	18.9
119.04935	1.7
119.08560	20.9
121.06470	5.3
121.10130	18.5
123.08024	5.1
123.11676	6.0
125.09603	4.3
127.03888	6.8
128.06143	3.6
129.06990	13.6
129.07927	2.1
131.08557	25.1
133.06459	3.4
133.10107	19.9
135.08035	2.2
135.11681	10.8
137.06003	2.9
137.09627	1.9
139.11183	1.9
141.06985	6.9
142.07805	3.4
143.08569	13.1
145.06430	2.8
145.10098	15.7
147.08057	2.7
147.11665	17.2
149.05893	1.8
149.09625	1.9
149.13263	19.4
151.11183	2.5
153.06943	3.3
155.08537	13.4
156.09256	2.2
157.10124	13.3
159.11678	17.5
161.13261	3.7
163.11151	2.8
165.07018	2.8
165.12729	5.9
167.08522	7.2
168.09367	3.2
169.04636	1.7
169.10156	13.4
171.11650	10.4
173.04443	3.1
173.13193	5.5
177.12791	7.1
178.07822	1.9
179.08513	3.9
181.10109	11.2
183.06506	3.2
183.11693	12.8
185.13248	6.1
187.14795	3.2
189.17905	1.4
192.09456	1.5
193.10196	7.7
193.11971	2.0
195.11621	11.2
195.13643	13.4
197.13220	10.0
199.14815	5.5
203.14316	2.2
205.10118	1.6
207.11615	6.7
207.13734	3.1
208.12378	1.8
209.13254	12.5
211.14807	5.5
213.14723	2.6
213.16473	2.8
219.11690	2.2
219.13791	2.2
221.13214	4.3
223.14784	6.8
225.16435	2.3
233.13297	2.7
235.14774	3.8
237.16374	3.9
239.17963	2.5
247.14761	1.6
251.18066	2.1
257.15421	1.9
263.17853	2.6
265.19556	1.9
267.15802	5.4
269.17487	13.2
275.20081	2.9
281.17441	3.1
285.14505	2.0
285.17200	2.5
291.19504	2.0
303.15869	3.9
321.16977	6.1
333.21875	1.8
339.18024	9.3
347.23727	2.1
349.25241	1.7
353.24936	2.2
363.26788	2.4
377.19452	2.8
389.01288	1.5
389.27667	2.3
395.20557	11.5
403.30069	1.8
421.31052	2.4
445.29706	6.0
463.30591	14.3
509.36337	3.0
515.38867	15.2
529.31696	2.4
533.40021	6.8
537.35870	2.1
561.29370	1.6
571.32782	2.7
571.41431	2.3
589.34863	7.2
589.41870	7.8
607.24158	3.4
607.26825	3.9
607.34320	78.2
607.43365	100.0
608.34973	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	607.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01856	4.6
55.05259	1.6
55.05508	25.3
57.03422	7.3
57.07058	3.6
60.10330	1.1
65.03921	3.4
67.05498	57.1
69.03423	10.3
69.06712	1.8
69.07057	21.0
71.04987	5.5
71.63012	1.4
71.72578	1.0
72.93145	1.6
79.05486	41.1
81.03408	39.5
81.07048	67.6
83.04961	9.0
83.08611	12.9
85.02885	5.7
85.06528	4.2
91.05467	31.2
93.06461	2.7
93.07034	45.3
95.04957	11.9
95.08595	31.0
97.02905	7.1
97.06528	9.4
97.10187	6.0
97.10744	1.4
99.04430	3.2
99.08062	2.5
103.05437	1.9
105.07020	26.1
107.04945	6.5
107.08580	30.9
109.02874	7.5
109.06494	3.6
109.10146	8.1
111.04430	4.5
111.08051	4.4
111.11688	1.1
115.05448	2.5
117.07001	15.3
119.08577	18.1
121.06484	4.3
121.10120	16.1
123.08060	4.4
123.11707	6.0
125.09622	2.5
127.03883	5.4
128.06189	2.0
129.07001	9.8
131.08562	19.7
133.06473	3.5
133.10109	14.9
135.08018	3.4
135.11662	9.6
137.05969	1.4
137.09567	1.9
139.11192	2.1
141.07002	4.6
142.07774	2.2
143.08562	12.0
145.06465	2.8
145.10120	11.5
147.07990	2.7
147.11664	11.4
149.09602	3.0
149.13234	17.0
149.14351	1.6
151.11160	1.6
153.06943	2.0
154.07726	1.5
155.08554	9.7
156.09262	1.6
157.10120	13.0
157.32913	1.4
159.11656	15.8
161.09610	2.5
161.13252	4.2
163.11145	1.6
165.06960	1.9
165.12747	5.3
166.07672	1.4
167.08568	6.3
168.09296	2.0
169.10141	13.0
171.08096	1.5
171.11639	9.8
173.04457	1.9
173.13239	6.5
175.11194	1.3
175.14798	2.0
177.12715	6.6
179.08543	4.4
179.14275	1.4
180.09288	1.6
181.10068	10.2
182.10983	2.1
183.11694	9.9
185.09875	1.1
185.13228	5.8
187.14819	2.0
193.10088	4.2
193.12218	1.2
194.10999	1.4
195.11804	11.0
195.13510	9.5
197.13251	8.8
199.14810	4.5
205.10123	2.5
206.10944	1.7
207.11647	5.5
207.13612	2.3
208.12585	1.7
209.13234	7.0
211.14822	5.4
213.14738	2.1
219.11627	2.5
221.13237	5.4
223.14787	7.1
225.16365	2.7
235.14948	2.9
237.16454	2.6
239.17986	2.4
245.13246	1.5
247.14879	1.7
249.16583	2.1
251.18063	2.6
263.18042	2.1
265.19385	1.5
267.15930	5.2
268.24139	1.3
269.17441	12.8
275.19998	3.3
277.19476	1.4
281.17319	2.7
283.20822	1.4
285.14615	2.1
291.19748	1.4
297.16855	1.8
303.15829	2.7
321.16959	3.4
333.21848	2.6
335.23450	2.1
339.18042	8.2
353.24585	2.3
363.26831	1.5
371.25955	1.5
377.19559	2.3
379.26260	1.3
395.20566	11.3
433.30069	1.2
437.78125	1.4
445.30005	3.9
452.22864	1.4
463.30417	12.4
487.30460	1.9
509.36200	2.9
515.39038	7.4
525.36163	1.2
529.31244	1.9
533.39636	5.3
551.40778	2.1
571.32422	2.2
589.34222	6.1
589.42517	6.0
607.27130	2.8
607.34393	73.3
607.43372	100.0
608.34656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08801	0.7
53.03944	4.9
55.01870	9.0
55.05507	18.7
57.03422	2.4
57.07072	2.7
57.09490	0.8
59.05005	1.2
65.03943	4.6
67.05498	47.8
69.03424	2.0
69.07060	36.5
70.88633	1.9
71.04993	2.6
71.08616	1.3
73.06562	0.7
77.03905	1.1
79.05485	38.7
81.03416	5.7
81.07048	52.2
83.04971	6.5
83.08611	8.5
83.87808	0.7
85.06548	3.1
91.05470	67.2
93.07034	38.2
94.07320	1.2
95.01318	9.1
95.04967	12.7
95.08596	35.0
97.06525	12.7
97.10156	3.8
99.08082	1.9
103.05468	2.8
105.04526	1.3
105.07018	77.6
107.04951	16.3
107.05605	0.7
107.08584	19.2
107.09275	1.2
109.06524	3.2
109.10153	9.2
111.08081	3.2
113.09621	1.3
115.05468	3.4
116.06161	0.8
117.07003	22.0
119.08566	48.2
121.06506	3.4
121.10133	11.6
123.04465	1.8
123.08052	4.4
123.11707	3.0
124.27921	0.7
125.09646	3.1
128.06245	3.1
129.06989	10.3
130.07791	0.9
131.08549	30.6
133.10115	44.8
135.08043	4.1
135.11691	8.4
137.09622	2.3
139.07611	1.3
141.02936	0.8
141.06973	3.3
142.07768	1.6
143.08540	10.4
144.09396	1.6
145.06494	2.7
145.10110	25.4
147.08020	0.9
147.11676	22.9
149.09602	5.7
149.13223	4.0
151.11189	1.1
155.08531	4.0
157.10104	10.2
159.11679	17.9
161.13239	11.1
163.11130	3.8
165.07025	1.0
165.09111	1.3
165.12801	0.9
167.08542	2.4
168.09348	1.2
169.10091	7.4
171.11659	9.5
173.13255	8.3
175.14876	3.3
177.12794	3.4
179.08653	0.9
179.14282	12.9
181.10155	3.3
183.11650	5.0
185.11885	1.0
185.13222	5.7
187.11235	2.6
187.14842	2.8
189.12753	1.2
189.16286	1.7
191.14330	0.8
193.10249	1.0
195.11676	4.0
197.13235	3.9
199.14862	2.6
201.12662	0.9
201.16537	1.1
205.10149	0.8
205.12233	1.2
207.11644	1.9
209.13295	2.5
211.14899	2.2
213.16405	2.6
215.18031	1.6
217.15863	0.8
217.19624	1.1
221.13284	1.6
223.14822	2.5
225.16325	1.0
231.17619	1.0
231.21114	1.7
233.15385	0.9
235.14870	1.4
237.16403	1.2
239.17949	2.9
241.14395	1.3
241.19453	9.6
247.20695	2.0
257.19022	5.0
259.20532	9.7
273.18542	1.1
275.20029	60.0
293.21051	5.8
297.22250	1.3
313.21701	1.0
315.23209	17.5
315.26804	0.8
331.22809	1.2
349.23706	10.7
388.17105	1.7
389.17667	3.1
390.18369	1.2
391.30145	0.9
402.18469	1.9
403.19540	4.8
404.20059	2.3
405.20865	3.3
416.15973	1.5
417.16211	3.9
417.21283	2.4
418.22052	1.5
419.22272	7.3
420.22906	1.2
430.18069	1.6
431.18277	9.8
432.18878	4.1
433.20230	3.1
437.33859	1.2
445.20172	8.0
446.20847	8.3
447.21805	10.7
448.22491	1.3
460.18762	1.3
461.19974	2.5
473.19406	1.4
474.20410	9.8
475.21164	12.8
476.21594	1.6
483.34842	3.3
487.21320	2.2
490.23764	2.1
491.20468	1.4
501.23251	1.8
505.97668	1.0
509.35760	1.2
515.38708	2.1
519.24023	11.8
520.24493	1.9
532.20526	1.5
533.39819	2.7
538.36627	0.9
547.23383	60.4
548.23645	11.1
551.41034	2.4
561.25098	1.8
571.41809	0.9
579.25995	5.1
589.24365	1.0
589.41882	1.2
607.25531	95.7
607.43353	100.0
608.25696	17.3
608.43958	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01865	2.6
55.05504	12.0
57.03429	3.8
57.07069	1.3
67.05493	19.3
69.03450	0.9
69.07059	10.4
69.07404	1.0
71.04979	0.7
71.62592	1.0
74.51051	0.6
79.05479	16.0
79.26324	0.6
81.03448	0.9
81.07042	22.5
83.04988	1.8
83.08603	5.4
85.06552	1.2
91.05472	15.1
92.05782	0.6
93.07032	15.9
93.07622	1.0
95.04978	2.4
95.08592	16.7
97.06528	1.9
97.10188	2.0
98.20955	0.8
99.08067	1.4
105.07017	16.1
107.04948	1.3
107.08582	10.3
109.06554	1.5
109.10143	6.4
111.08057	0.9
115.05460	1.4
117.06995	7.9
119.08561	12.8
119.09327	1.0
121.10126	5.5
121.91446	0.6
123.08094	1.1
123.11724	1.7
125.09658	1.9
128.06238	1.9
129.07011	6.1
130.07803	0.9
131.08548	9.7
131.09465	0.7
133.10117	9.7
135.08070	1.2
135.11719	2.8
141.06941	3.7
142.07822	2.5
143.08553	9.8
144.09380	0.7
145.10100	10.6
147.11635	5.1
149.09552	1.0
149.13281	1.7
153.07022	1.9
154.07784	1.4
155.08517	9.0
155.09651	0.7
156.09378	1.5
157.10115	11.4
159.11665	7.0
161.13336	2.3
163.11241	0.9
165.07086	1.8
166.07788	1.0
167.08528	6.4
168.09398	2.2
169.10117	11.0
169.11494	0.6
171.11668	8.9
173.13257	4.6
175.14861	1.1
177.12805	0.9
178.07764	0.9
179.08569	3.7
180.09383	1.9
181.10101	9.5
182.10945	1.9
183.11655	9.1
185.13223	4.5
187.14934	2.3
189.16394	0.9
191.08665	0.7
192.09363	1.2
193.10097	5.0
194.10944	1.6
195.11655	9.0
197.13232	8.6
197.14700	0.8
199.14815	3.0
201.16443	1.1
205.10193	1.6
206.10945	1.0
207.11676	4.7
207.13434	0.7
208.12546	0.9
209.13223	9.1
211.14812	4.0
213.16505	2.2
215.17899	0.8
217.10014	0.7
219.11786	2.1
221.13254	5.3
223.14771	4.8
225.16393	3.6
227.14119	0.6
233.13373	2.1
235.14764	4.1
237.16348	4.7
237.18504	0.7
239.18065	2.6
247.14767	0.8
249.16492	2.9
251.17931	3.5
253.19604	0.8
257.19028	1.2
259.14786	0.9
259.20633	1.4
261.16382	1.0
263.18015	2.2
275.17606	0.8
275.20264	3.1
277.19696	1.4
279.21259	1.0
291.21271	0.9
297.22073	0.7
307.20471	1.2
315.23505	0.7
321.21844	0.8
333.21957	0.9
335.23779	1.2
337.21680	0.9
337.25507	1.2
339.23169	0.9
347.23804	1.7
349.25143	1.3
353.24942	0.9
361.25342	1.3
363.26898	1.5
377.28735	0.8
391.30121	0.8
403.30374	0.8
421.31213	1.2
431.29700	0.9
445.30905	1.2
447.32455	0.8
515.38684	7.1
533.39874	5.5
537.35718	1.4
538.36871	0.9
539.37634	0.8
551.41040	2.9
571.41608	1.2
589.42267	7.3
607.43768	100.0
608.44470	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	609.1446
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
55.01857	0.3
57.03433	1.4
58.26339	0.1
59.04988	0.2
59.40775	0.1
61.02903	0.3
68.99782	0.4
69.03429	1.0
69.10263	0.1
70.83807	0.2
70.84183	0.4
71.01335	0.4
71.04989	5.5
73.02911	3.9
75.04462	0.2
81.03410	0.3
85.02898	11.8
86.07817	0.1
87.04462	1.2
87.05573	0.4
93.03389	0.2
95.04960	0.2
97.02260	0.2
97.02882	3.0
99.00816	0.4
99.04428	0.5
101.02370	0.2
101.40779	0.1
105.07067	0.1
106.11346	0.2
109.02865	0.5
111.00797	0.7
111.04513	0.2
113.02363	1.1
115.03939	1.1
121.02849	0.6
123.04423	0.2
125.02395	0.2
127.03906	1.5
129.05466	1.4
133.08595	0.2
137.02333	2.3
143.03400	1.2
145.04935	0.6
145.06342	0.2
147.06502	0.2
149.02339	0.4
151.07483	0.3
153.01810	2.8
155.04803	0.1
161.04446	0.9
161.05797	0.3
163.03902	0.6
165.01830	1.5
166.02551	0.2
177.05528	0.1
181.04892	0.2
183.02855	0.6
187.03966	0.2
189.09073	0.2
201.05447	1.1
205.04810	0.2
213.05487	0.2
219.06467	0.2
219.10156	0.3
229.04938	3.2
247.06152	0.4
253.11931	0.2
257.04431	2.3
274.04779	0.6
285.03961	1.0
302.04202	0.3
303.04962	100.0
304.05280	0.6
331.15561	0.3
345.05905	0.3
424.30121	0.2
463.08618	5.6
465.10632	0.2
509.88672	0.2
611.90509	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	609.2697
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05500	1.3
56.63867	0.2
57.03414	0.2
57.07030	0.3
57.37545	0.2
60.58912	0.2
67.05494	2.4
69.07061	1.4
69.31806	2.0
75.95219	0.2
79.05482	2.0
81.06649	0.3
81.07043	3.0
83.08584	0.6
91.05466	1.8
93.06559	0.2
93.07029	2.9
95.04908	0.6
95.08128	0.2
95.08595	2.3
97.06504	0.5
98.21142	1.2
105.07009	1.9
107.08575	1.7
109.06451	0.3
109.10108	0.6
117.07016	0.9
119.08559	1.4
121.10146	1.0
123.11587	0.2
127.82269	0.2
129.06996	0.3
131.08543	1.0
133.10077	1.3
135.11703	0.4
136.29192	0.2
137.09563	0.2
143.08490	0.6
145.10100	1.8
147.11626	0.9
149.09584	0.3
149.13237	0.4
155.08508	0.4
157.10104	0.5
159.11664	1.0
161.13179	0.5
169.10062	0.3
170.22868	0.2
171.11670	0.6
172.03883	0.3
173.13237	0.4
179.14232	0.3
183.11632	0.2
185.13225	0.3
187.14725	0.2
197.13274	0.5
204.06483	0.3
239.17903	0.5
255.46918	0.2
257.19000	1.1
270.55978	0.2
275.20023	2.3
293.21024	0.4
311.74213	0.2
331.22757	0.4
335.25735	0.6
340.91122	0.2
363.16019	0.6
376.16791	0.4
377.17426	1.4
378.18402	0.3
379.19357	0.4
389.17664	0.3
390.18301	0.6
391.14825	0.4
391.16403	0.3
391.19440	1.9
392.20053	1.2
393.20691	1.6
404.15738	0.4
404.20358	0.5
405.16357	3.0
405.20880	1.3
406.17047	1.1
406.22260	0.4
407.22455	4.0
408.23022	0.3
417.16745	0.3
418.17722	0.8
419.18182	3.9
420.19135	1.9
421.20117	2.6
431.18668	0.3
432.19540	0.4
433.16010	1.8
433.21170	3.8
434.21045	4.4
435.21823	9.3
436.22971	0.4
446.16913	0.2
447.18124	2.8
447.22635	1.2
448.18085	1.2
449.19449	1.7
451.21475	0.3
461.18729	1.9
462.20267	6.8
463.21237	5.5
464.22107	0.3
465.18744	0.3
475.21408	2.8
476.22052	0.8
477.23083	0.4
479.20779	0.7
489.22745	2.1
490.23666	0.6
493.26480	0.5
494.23077	0.4
507.19278	1.0
508.24576	0.3
517.22321	0.8
517.40192	0.3
521.25720	9.0
534.22498	0.7
535.41156	0.3
545.22211	0.3
549.24908	29.0
550.25372	0.6
553.28589	0.4
577.24316	0.6
581.27747	1.7
591.44153	0.6
609.26978	100.0
609.44812	7.8
610.27423	1.7
637.60443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05495	1.3
57.07052	0.3
67.05501	3.3
69.07048	1.0
70.41660	0.4
79.05471	2.3
81.07057	2.6
83.08630	0.6
85.06493	0.3
91.05473	2.3
93.07039	2.3
95.04953	0.5
95.08599	2.4
97.06523	0.4
105.07002	2.0
107.04929	0.4
107.08592	1.3
109.06491	0.3
109.10121	0.9
117.07001	1.1
119.08569	1.3
121.10116	0.9
121.96048	0.3
123.08000	0.4
123.11751	0.5
131.08566	1.1
133.10112	1.2
135.08008	0.4
135.11670	0.7
143.08521	0.6
145.10086	1.7
147.11678	0.9
157.10049	0.5
159.11659	0.6
161.13211	0.4
169.10112	0.6
171.11649	0.7
173.13182	0.3
183.11739	0.5
185.13203	0.4
229.84369	0.5
235.12242	0.3
235.82309	0.4
239.17987	0.5
249.98647	0.3
257.19177	0.9
275.20108	1.3
343.94562	0.3
354.58478	0.4
391.19171	0.6
403.19180	0.4
404.20142	0.4
405.20908	1.1
414.18506	0.5
415.19193	1.1
417.21338	0.5
419.18188	1.0
419.22955	0.7
429.20786	2.4
430.21548	1.0
431.18353	1.0
433.19492	1.0
433.23917	1.8
434.20932	0.7
435.21860	0.6
443.22366	1.3
444.22916	1.4
445.24799	0.5
447.17218	0.6
447.21793	1.5
449.23322	1.1
458.24866	0.6
459.21365	4.6
460.22668	2.5
461.19266	1.8
461.23752	2.1
462.19821	1.7
463.20853	0.5
468.37372	0.5
471.21866	0.8
472.22556	2.1
473.23096	1.1
474.24506	0.7
475.20544	0.8
476.22211	1.5
477.23056	2.3
485.23434	1.1
487.25153	3.4
489.23019	2.1
490.23743	0.5
493.21823	0.5
503.24777	1.8
505.18542	0.7
505.25479	0.6
515.24652	0.4
518.22931	0.5
519.23804	2.1
521.21436	2.5
531.23871	23.8
532.24359	1.5
548.29742	0.4
549.24915	13.8
563.26404	1.0
591.25934	3.2
591.43799	0.4
608.43732	0.5
609.26965	100.0
609.44714	6.0
610.27258	1.3
627.42126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.27
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01852	0.7
55.05505	3.0
57.03421	0.6
59.81662	0.4
62.89058	0.4
67.05491	5.7
69.07058	2.6
69.19335	0.4
69.40691	1.1
69.41099	2.2
76.29465	0.3
79.05485	5.2
81.03432	0.3
81.07047	5.6
83.04929	0.7
83.08611	1.0
91.05476	4.7
93.07032	5.2
94.26785	0.3
95.04974	1.3
95.08607	3.6
97.06524	1.1
97.10168	0.6
105.07022	4.7
107.04960	0.5
107.08591	4.3
109.06522	0.6
109.10147	1.8
111.08079	0.4
117.07008	2.1
119.08574	2.2
121.10130	2.1
123.11727	0.6
125.09676	0.4
129.06995	1.1
131.08546	2.7
133.10127	2.6
135.11719	1.2
143.08553	1.8
145.10115	4.6
147.11702	1.4
149.09608	1.1
149.13231	1.0
155.08545	0.9
157.10121	0.8
159.11679	1.6
161.13251	0.5
163.11145	0.7
169.10118	1.4
171.11714	1.5
172.71156	0.4
173.13211	0.9
179.14328	0.7
181.10149	0.4
183.11729	0.7
185.13293	1.0
189.16504	0.5
195.11725	0.6
197.13268	0.8
199.14789	0.7
209.10576	0.4
209.13271	0.6
239.17975	0.4
248.83492	0.5
257.19110	1.8
259.20462	0.6
263.11783	0.4
275.20023	3.0
331.22647	0.7
335.25876	1.0
389.17679	0.6
390.18155	0.5
391.19135	1.0
402.18597	0.4
403.19318	1.5
404.19891	1.1
405.20972	1.8
406.21616	0.5
407.22244	1.2
415.19409	0.8
417.16721	1.2
417.20862	1.7
418.17181	0.7
419.22955	3.0
420.23239	1.1
421.23273	0.6
429.16653	0.6
430.17578	0.8
431.17862	2.0
431.23599	0.5
432.19357	1.3
433.20123	6.0
434.21024	0.8
435.21591	0.9
443.18539	1.4
444.19437	1.7
445.19687	3.8
446.21115	3.6
447.21915	4.6
448.22375	1.7
458.20990	5.8
459.21689	4.3
460.22845	3.3
461.19409	0.9
463.20749	2.2
473.23935	1.0
475.20566	1.8
476.21902	0.9
477.22577	1.2
489.19388	0.4
490.23746	0.7
491.25009	0.5
503.20795	0.4
503.24622	0.6
505.22424	0.7
511.37326	0.5
517.22241	0.9
517.40607	0.9
518.23224	3.5
519.23889	10.8
520.23932	0.5
521.24817	2.8
531.24097	1.0
532.24768	0.6
535.40796	0.7
549.24792	6.1
563.26965	0.5
579.26141	0.8
591.25946	12.4
591.43958	1.0
609.26959	100.0
609.44025	15.4
610.27417	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2701
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.44008	0.3
55.01863	0.6
55.05500	1.4
67.05496	3.5
69.07063	2.2
69.32949	2.0
69.33369	1.4
73.81459	0.3
79.05492	3.1
81.07056	2.6
83.08606	0.6
83.28555	0.3
91.05482	2.3
93.07063	2.8
95.01267	0.3
95.04935	0.9
95.08617	2.8
97.06525	1.1
105.07020	2.4
107.04952	0.6
107.08606	1.6
109.10152	0.5
117.06999	1.1
119.08561	1.5
121.10130	1.4
129.07019	0.5
131.08505	1.7
133.10155	1.2
135.11684	0.7
143.08548	0.8
145.10141	1.4
147.11687	0.6
149.09613	1.1
155.08531	0.5
157.10088	0.7
159.11714	1.0
161.13354	0.4
163.11244	0.6
169.10112	0.4
171.11613	0.5
173.13228	0.9
179.14304	0.6
183.11655	0.5
185.13217	0.4
203.72026	0.3
209.10713	0.3
211.14662	0.3
219.17580	0.4
223.12369	0.4
239.15526	0.5
257.14963	0.3
257.19025	0.5
262.14716	0.4
275.20020	2.2
293.21140	0.5
316.98264	0.3
335.26007	0.4
375.16623	0.4
376.16806	0.6
389.18057	0.7
390.18674	0.7
391.19284	1.7
392.19965	1.0
393.20511	0.4
401.17606	0.6
403.19568	0.5
404.20798	0.9
405.20795	2.6
406.21625	1.5
407.22284	2.8
413.17688	0.5
414.18384	0.5
415.19293	1.3
416.20395	0.4
417.21017	0.6
418.17422	0.4
419.18533	1.2
419.23203	0.6
421.24005	3.5
422.24539	0.7
427.19699	0.4
428.19647	0.4
429.20786	1.3
430.21774	1.2
431.18356	1.0
431.23453	0.4
432.19547	1.0
433.20349	1.2
442.21918	0.5
443.22723	0.6
444.23141	0.9
445.20663	1.0
447.18094	1.8
447.22964	0.6
448.18350	0.6
449.23425	0.9
457.23862	1.0
459.21884	1.2
460.22687	1.3
461.19040	4.8
462.20581	2.0
463.21283	1.3
470.21112	0.5
471.17636	0.6
472.22684	0.8
473.19522	0.7
474.20673	1.0
475.21100	6.9
476.21844	5.5
477.22449	3.6
478.23495	0.6
485.23700	5.1
486.20154	1.8
487.20926	0.6
488.22360	1.0
489.22949	4.5
493.21732	0.7
494.26926	0.9
497.23465	0.9
499.21161	3.6
500.22104	1.2
503.24490	6.6
504.22137	1.0
505.22537	0.9
507.24109	0.8
513.22900	1.5
515.24396	6.2
517.22131	1.6
518.22772	0.6
521.26215	2.5
531.23822	9.6
533.25262	0.7
535.23767	0.8
541.22363	0.9
549.24969	2.1
550.25757	4.5
559.23383	5.5
563.26648	1.7
577.24182	1.9
591.26025	11.2
609.27032	100.0
609.44800	6.9
610.27411	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05495	1.1
67.05498	4.2
69.07062	2.1
79.05473	4.3
81.07031	3.8
88.35962	0.9
91.05459	3.6
93.07021	3.6
95.08591	2.6
105.07033	3.1
107.04920	1.1
107.08574	2.6
109.10131	1.1
117.06982	1.1
119.08554	2.3
121.10120	1.6
125.91537	0.9
126.45016	0.7
131.08557	1.7
133.10100	2.4
135.11620	1.2
145.10062	1.2
147.11638	1.3
149.09535	1.9
222.75151	0.8
275.19962	3.3
315.19354	1.4
449.87692	0.9
463.21588	1.0
531.69922	0.8
591.40173	12.9
609.27063	3.9
609.41034	100.0
610.41620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02936	1.7
53.03930	4.3
54.25182	1.4
55.01864	5.9
55.05509	17.7
57.03430	4.7
57.07052	1.5
58.42970	1.6
65.03935	4.0
67.05501	47.7
69.07063	27.8
71.04977	2.7
79.05489	40.5
81.03416	3.5
81.07053	55.0
83.04971	4.8
83.08607	7.4
85.06549	3.6
91.05474	41.9
91.05994	2.8
92.15841	1.5
93.07042	48.3
93.32775	1.6
95.01324	6.4
95.04964	10.6
95.08598	37.9
95.09149	3.2
97.06540	11.9
97.10164	2.5
98.20657	2.5
105.04581	1.8
105.07016	49.3
107.04968	9.4
107.08585	22.4
109.06525	4.6
109.10144	13.4
111.08056	2.1
116.06237	1.9
117.07014	14.4
119.08570	28.0
121.06482	2.2
121.10153	16.8
123.08064	2.0
123.11755	2.3
129.07062	3.6
131.08546	23.1
133.10112	30.3
135.08064	2.8
135.11687	10.8
137.09613	3.8
141.07030	2.3
143.08559	3.5
145.10103	22.0
147.11674	14.6
149.09642	5.0
149.13283	3.8
155.08586	4.1
157.10167	5.2
159.11662	11.1
161.09631	1.8
161.13312	6.0
163.11232	2.8
165.09090	1.5
169.10216	2.7
171.11707	4.7
173.13315	5.6
177.12759	5.2
179.14272	11.5
183.11699	5.3
185.13321	3.0
187.11177	1.8
187.14827	2.0
195.11717	2.2
197.13347	3.4
213.16397	1.8
219.17432	16.3
229.74866	1.8
235.14682	2.0
239.17931	3.7
247.20621	2.2
257.19037	8.7
261.22379	2.0
275.20038	63.3
293.21127	6.0
331.22705	3.4
335.25867	3.5
349.23965	2.8
591.40546	2.5
609.28101	3.3
609.45184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03922	0.9
55.01868	1.5
55.05503	13.5
57.03432	3.2
57.07049	1.4
65.03920	1.1
67.05496	21.0
68.24873	0.3
69.03416	0.7
69.07059	11.3
70.00154	1.4
71.04967	1.2
71.08622	0.5
76.49097	0.3
79.05484	13.9
81.03397	0.5
81.07048	21.9
83.04967	1.3
83.08608	5.7
85.06529	1.7
91.04878	0.4
91.05463	13.7
93.07035	15.8
94.07359	0.3
95.04956	2.6
95.08594	18.4
97.06535	2.1
97.10157	3.0
99.08074	0.7
103.05473	0.5
105.07020	14.3
107.04925	0.4
107.08586	10.4
109.06503	1.0
109.10146	8.0
109.10895	0.6
111.08049	1.2
111.11690	0.4
115.05447	1.1
117.07002	7.1
118.94699	0.3
119.08566	12.2
121.06432	0.4
121.10130	7.0
122.28558	0.3
123.08080	0.8
123.11674	2.1
125.09633	1.3
128.06200	2.4
129.06992	9.4
130.07797	0.8
131.08546	11.4
131.09489	0.7
133.10109	10.2
135.07996	0.4
135.11676	4.9
137.09573	0.6
137.13242	0.9
141.06966	4.6
142.07782	2.6
143.08540	11.6
144.09312	0.7
145.10109	13.5
145.11266	0.7
147.11671	5.7
149.09604	1.0
149.13252	1.9
151.11125	0.3
153.06964	1.3
153.12672	0.4
154.07776	1.1
155.07545	0.2
155.08539	11.4
156.09326	1.3
157.10110	13.2
158.10864	0.5
159.08067	0.4
159.11676	8.6
161.13239	2.9
163.14796	0.9
163.92686	0.3
165.07031	1.0
166.07733	0.8
167.08542	5.5
168.09309	1.6
169.10109	13.6
170.10802	0.5
171.08319	0.3
171.11671	10.9
173.13243	5.6
175.14804	1.7
177.12738	0.4
177.16383	0.6
179.08536	2.7
179.14311	0.4
180.09360	1.0
181.10089	7.6
182.10884	1.0
183.11664	13.7
184.12315	0.5
185.11591	0.5
185.13248	9.0
187.14865	2.9
189.16391	1.1
191.08536	0.7
191.18025	0.4
192.09344	0.5
193.10106	2.3
194.10892	0.5
195.09883	0.5
195.11674	8.2
196.12466	0.9
197.13243	9.9
197.14845	0.4
198.14024	0.3
199.13190	0.6
199.14813	4.9
201.12529	0.3
201.16432	1.8
203.18007	0.8
205.10126	0.8
206.10886	0.5
207.11703	3.4
208.12460	0.8
209.13255	6.9
210.13942	0.5
211.14803	7.2
211.16693	0.6
212.15654	0.4
213.16360	3.8
215.17929	1.0
217.15794	0.3
219.11736	0.8
221.13232	2.6
223.14810	5.7
225.16339	4.0
227.16234	0.4
227.17982	3.7
229.19566	0.6
231.17397	0.4
233.13306	0.9
233.18839	0.5
235.14798	2.5
237.16348	4.5
239.17947	3.3
241.15961	0.4
241.19836	1.5
247.14694	0.8
249.16333	1.2
251.17924	2.3
253.19621	1.9
255.21234	0.7
257.18881	1.7
259.20428	0.4
261.16293	0.8
263.17923	0.9
265.19458	1.4
267.21085	1.0
271.20493	0.5
275.20251	2.7
277.19559	0.9
279.17249	0.4
279.21255	0.6
281.18826	0.4
281.22659	0.5
283.17038	0.4
283.20477	0.6
285.18375	0.4
285.22211	0.6
289.19348	0.4
291.20975	0.5
293.22214	0.5
295.20444	0.5
295.23996	0.4
297.22095	0.9
299.20197	0.7
299.23541	0.4
305.22601	0.4
307.20566	0.5
307.24136	0.4
309.22034	1.4
309.25360	0.4
311.20242	0.4
311.23645	0.7
313.21625	0.6
321.22092	0.9
323.23660	1.5
325.21915	0.6
325.25320	0.7
327.23239	0.7
331.22763	0.7
335.23224	0.5
335.26309	0.4
337.21600	0.4
337.25229	1.3
339.23187	0.6
339.26965	0.6
341.24835	0.8
347.23456	0.5
349.25241	1.4
351.23105	0.5
351.26849	2.0
353.24710	0.6
355.26309	0.8
361.25116	0.4
363.26865	1.2
365.24503	0.5
365.28635	1.8
367.26367	1.0
369.27914	0.6
373.25052	0.4
377.28278	0.9
379.29938	0.9
381.27603	0.6
383.29599	0.4
389.28223	0.3
391.30026	1.0
393.31500	1.1
395.29071	0.6
401.28293	0.4
403.29965	0.5
405.31757	0.7
407.33539	0.4
415.29312	0.4
419.28851	0.5
421.30460	0.4
423.32825	0.4
431.33215	0.4
433.30304	0.9
435.32306	0.5
440.80002	0.3
443.33020	0.4
447.32474	1.1
449.34097	0.9
459.31592	0.4
461.33710	0.8
473.32700	0.6
475.35776	0.4
487.34296	0.5
499.39856	2.2
501.35974	0.7
513.35791	0.4
515.38251	0.4
517.40411	11.7
521.24695	0.5
521.36157	0.7
525.35492	0.5
527.37787	0.4
535.41473	6.7
539.37488	1.6
541.38794	0.5
549.24084	0.5
549.39142	0.4
553.42035	1.1
555.41693	0.7
565.42523	0.4
573.42932	1.8
581.26215	0.4
591.44055	13.4
591.53839	0.6
609.26068	4.0
609.45044	100.0
610.27173	0.4
610.45551	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4504
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.24538	0.3
53.03930	1.0
54.14728	0.3
54.82507	0.3
55.01856	1.0
55.05502	12.5
57.03433	3.7
57.03702	0.5
57.07061	1.5
61.54810	0.3
65.03928	1.1
67.05495	21.5
68.05811	0.3
69.03422	0.5
69.07057	11.2
71.04974	0.9
71.08607	0.7
76.66380	0.3
79.05480	12.7
81.07045	21.6
83.04968	1.3
83.08602	6.4
85.06525	1.1
85.10213	0.3
91.05463	11.6
93.07025	14.2
95.04935	2.2
95.08591	19.2
97.06524	2.1
97.10153	3.4
98.21247	2.0
99.08064	0.6
105.07014	12.1
107.07850	0.6
107.08576	10.3
107.09279	0.7
109.06509	1.1
109.10143	8.5
111.08060	1.0
115.05452	1.3
117.06998	7.8
119.08565	13.0
121.10113	6.6
123.08052	1.0
123.11687	2.5
125.09625	1.7
125.66894	0.3
128.06190	2.7
129.06982	9.9
130.07751	0.5
131.08545	11.8
131.09502	0.7
133.10109	9.0
135.11674	4.2
137.09596	0.7
137.13283	0.8
141.06944	4.5
142.07726	2.3
143.08542	12.6
143.09679	0.7
144.09315	0.6
145.10100	11.6
147.11658	5.7
149.09618	0.5
149.13281	1.6
151.14708	0.4
153.07007	1.4
154.07767	1.4
155.08522	10.4
156.09322	1.6
157.10107	11.8
158.10855	0.6
159.11667	8.4
161.13191	2.5
163.11211	0.5
163.14777	0.8
164.86842	0.3
165.06976	1.4
165.12782	0.5
166.07785	0.7
167.08537	5.8
167.14355	0.3
168.09254	1.7
169.10095	14.2
170.10834	0.8
171.11661	11.3
173.13237	5.8
175.11176	0.5
175.14790	1.7
177.16373	0.6
178.07756	0.6
179.08569	1.6
181.10091	8.3
182.10867	1.6
183.11670	14.9
184.12390	0.7
185.11615	0.5
185.13231	7.6
185.14841	0.6
187.14783	3.6
189.16330	0.9
191.08626	0.4
192.09384	0.5
193.10130	2.9
194.10928	1.3
195.11670	9.7
196.12378	1.5
197.13219	10.2
197.14990	0.6
198.13962	0.6
199.13150	0.7
199.14795	6.5
201.16364	2.1
205.10164	0.8
206.10831	0.5
207.11652	3.3
209.13223	8.2
210.13954	0.5
211.14793	7.7
213.12903	0.6
213.14644	0.5
213.16388	4.3
215.17950	1.2
219.11671	1.0
220.12460	0.8
221.13168	3.0
222.13971	0.8
223.14774	6.2
223.16959	0.5
225.16360	5.4
227.18062	3.5
233.13260	1.3
233.19034	0.5
235.14812	2.9
235.20461	0.4
237.16341	5.0
239.17935	3.5
241.19543	1.4
247.14848	0.9
249.16234	1.6
251.17880	2.3
253.11203	0.4
253.19559	2.0
255.17143	0.4
255.21283	0.7
257.18896	0.8
261.16241	0.7
263.17984	1.2
265.19434	1.8
267.21231	0.8
271.20450	0.6
275.17792	0.6
277.19586	0.7
279.17615	0.5
279.21127	1.0
281.18878	0.5
281.22623	0.8
283.20483	1.0
285.18701	0.6
285.22122	0.8
291.21021	0.5
293.19162	0.6
293.22653	0.9
295.20590	0.5
295.24136	0.5
297.22195	0.8
299.23639	0.5
303.20828	0.4
307.20514	0.6
309.22162	0.8
311.20041	0.8
311.23645	0.7
313.21634	0.8
313.24969	0.4
321.21997	1.0
323.20340	0.5
323.23428	1.6
325.21771	0.6
325.25266	1.0
327.23322	0.6
329.24786	0.4
333.21924	0.5
335.23621	1.4
337.24823	1.6
339.23105	0.9
339.26865	0.8
347.23120	0.5
349.25314	1.4
351.23059	0.6
351.26883	2.6
353.24677	0.9
353.28619	0.5
355.26505	0.4
361.24838	0.6
363.26828	1.0
365.24402	0.7
365.28397	1.9
367.26059	0.6
369.27966	0.6
375.26889	0.9
377.28262	1.1
379.25876	0.9
379.30063	0.8
381.27798	0.4
391.30063	1.2
393.27350	0.6
393.31918	0.9
395.29315	0.7
405.31653	0.7
407.28992	0.5
409.31277	0.6
421.30826	0.5
433.30609	0.9
435.32687	0.8
447.32428	1.3
448.89905	0.4
449.34235	0.7
461.33743	1.1
469.29877	0.4
475.35693	0.7
485.33502	0.4
487.34680	0.5
499.39804	2.2
501.35657	0.7
515.37567	0.5
517.40369	13.4
521.36340	0.7
523.38031	0.4
527.36676	0.4
535.41571	6.7
539.37164	1.6
540.37128	0.5
549.39240	0.5
553.41571	0.7
555.41357	0.9
573.42719	2.1
584.04449	0.5
591.34351	0.6
591.43994	17.6
609.45026	100.0
610.45709	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	609.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01879	8.7
55.05505	21.2
57.03430	2.7
65.03919	5.0
66.73416	2.1
67.05493	59.5
69.03414	2.1
69.07053	26.4
71.62041	2.9
75.49532	1.8
79.05479	58.5
81.03410	10.4
81.06565	4.3
81.07042	69.7
83.04974	7.1
83.08605	7.2
91.05466	61.6
93.07028	55.7
95.01310	13.0
95.04964	16.5
95.08595	41.5
97.06510	16.5
97.10166	4.8
98.25510	1.9
105.07018	69.2
107.04932	16.5
107.08569	24.6
109.06503	8.0
109.10123	10.2
111.08079	4.1
117.06991	15.7
119.08556	38.3
119.09327	2.8
121.10129	16.9
123.08083	4.1
123.11662	3.1
124.46217	2.0
128.06200	2.1
129.07001	3.1
131.08546	24.2
133.10107	41.4
135.08083	2.1
135.11684	9.0
139.07553	1.8
143.08513	4.0
145.10129	19.5
147.11673	13.9
149.09593	5.5
149.13252	4.6
155.08565	2.4
157.10129	5.0
159.11668	11.6
161.13234	4.9
163.11174	4.0
171.11676	3.7
173.13300	2.8
177.12714	2.6
179.14305	17.4
183.11719	3.0
187.11163	2.6
187.14748	3.0
197.13252	2.8
205.12077	2.4
217.99609	2.0
219.17378	14.7
239.18048	1.8
247.20602	2.5
257.19073	7.6
275.20038	100.0
293.21179	7.1
335.25815	2.5
349.23663	4.2
378.14319	1.8
537.15417	2.0
537.71411	1.9
553.16028	2.3
609.45081	90.4
610.46112	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1385
Annotation	56343-26-1
Peak:m/z	Relative Intensity
50.77150	1.2
51.10924	1.0
55.01865	2.0
57.03433	1.8
65.03928	2.1
66.37208	1.1
67.05500	1.8
68.99790	5.2
71.04995	11.7
71.43865	1.5
71.44184	1.7
72.08149	20.2
75.04410	1.3
75.45184	1.1
81.03397	2.5
83.01326	1.3
85.02901	13.9
89.03903	1.2
89.10795	12.1
91.05438	6.2
95.04959	3.6
97.22042	1.0
105.03387	2.7
107.04998	1.5
109.02859	1.9
111.00796	4.9
111.04435	8.0
115.05428	1.7
116.73101	1.1
119.04943	9.7
121.02852	3.3
123.04420	100.0
124.05257	1.1
125.02370	1.5
127.03915	28.9
128.09621	1.1
129.05490	2.5
131.04913	1.6
135.04414	23.5
137.02338	4.8
137.05901	1.5
139.03897	44.7
139.05006	2.1
143.03432	1.7
145.06485	1.7
147.03212	1.7
147.04399	31.8
149.02348	5.5
149.05995	1.9
150.03166	2.7
151.03889	14.5
152.04643	2.4
153.01820	4.9
155.03386	4.5
155.04843	1.1
159.04395	1.8
161.05984	1.9
162.03084	2.5
163.03903	27.6
164.04199	1.4
165.01857	2.9
165.05460	15.8
166.02582	1.9
167.03403	5.1
171.04318	1.7
173.06021	3.7
175.03960	3.7
176.04582	2.1
177.01820	2.4
177.05473	4.2
179.03436	8.8
181.04883	2.4
185.06075	1.4
186.35162	1.3
187.03902	4.1
189.05467	3.7
191.03381	10.2
193.04970	4.2
195.02972	2.0
197.06001	1.7
199.03906	2.0
201.05418	6.1
203.03398	12.9
203.06981	1.4
205.04826	2.5
213.05437	4.7
215.03337	2.1
215.07001	1.6
217.04947	2.8
219.06584	1.4
221.04449	1.6
223.02341	12.8
225.05495	2.8
229.04947	13.5
230.05684	1.2
231.02847	12.2
231.06534	3.6
232.03682	2.0
233.04410	5.0
235.02313	1.2
237.05533	1.5
241.04916	3.2
243.06525	2.8
245.04466	12.8
247.06007	32.3
255.06430	1.7
257.04410	22.9
258.05200	4.5
259.02338	2.4
259.05997	8.0
261.03876	9.8
261.07611	1.6
263.05518	2.0
269.04456	3.4
271.05951	16.5
273.03925	12.2
275.05444	8.9
277.03510	2.3
279.04868	1.3
282.04929	1.9
283.06036	3.7
285.03931	8.8
285.07169	2.4
286.04657	4.0
287.05481	23.8
288.06262	4.1
289.03448	8.4
289.07050	14.1
290.04111	4.5
291.05405	2.1
291.08594	7.4
297.07559	2.0
299.05548	4.0
301.03366	4.5
301.07092	4.7
303.04974	60.9
304.05692	5.4
305.06329	1.9
317.06598	3.8
319.04929	1.5
355.15536	1.2
389.06482	1.4
391.08139	4.8
395.07629	1.4
407.07642	4.1
408.08420	7.3
409.09140	8.8
412.07809	2.7
419.07550	3.5
423.06985	4.7
424.07770	2.6
425.08780	5.5
427.10233	7.3
435.07059	1.7
436.07867	1.5
441.08032	4.0
449.10178	2.2
465.10229	8.5
542.12024	3.7
559.12073	1.6
560.13141	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Quercetin 3-(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.00305	1.2
55.01849	2.6
57.03428	1.6
65.03920	1.2
67.05520	1.1
68.99786	5.5
70.75541	3.0
71.04984	10.0
72.75331	0.9
81.03397	2.8
85.02902	13.6
86.54589	0.9
95.04992	1.6
109.02869	3.0
111.00816	6.5
111.04401	1.7
112.48965	1.0
119.03532	1.1
121.02881	1.5
123.04430	17.0
127.03908	88.4
129.05469	2.6
135.04381	4.8
137.02296	1.8
139.03893	100.0
140.04202	1.1
147.04398	8.0
149.02306	2.4
151.03885	27.6
153.01790	2.3
155.03363	2.0
161.02971	1.5
161.05911	1.7
163.03900	13.2
165.01839	1.5
165.05405	2.9
167.03348	3.0
169.04951	1.7
170.58742	0.9
175.03899	11.2
175.05305	1.6
177.05467	4.4
179.03380	35.9
180.03616	1.1
181.04932	3.2
185.05893	1.7
187.03964	1.4
189.05450	3.3
190.70027	1.1
191.03409	9.1
193.04906	3.4
199.03850	2.4
201.05466	5.1
203.03378	18.5
205.05009	2.4
211.03842	1.2
213.05458	4.3
215.03427	1.2
217.04909	3.5
229.04991	5.1
231.06551	2.4
233.04420	4.2
241.04903	3.3
245.04459	11.1
247.06000	2.9
253.05103	1.2
257.04483	15.2
259.06018	3.8
263.05511	20.6
269.04459	2.3
271.06110	5.3
273.03784	1.3
275.05450	14.9
285.03787	1.5
287.05478	33.9
289.06998	3.6
291.08688	1.6
299.05435	14.4
303.04971	51.4
304.05469	2.0
305.06516	9.7
307.08035	10.4
317.06601	19.6
407.07486	2.5
408.08527	1.4
425.08630	20.6
443.09698	12.8
465.10059	8.4
539.46741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1591
Annotation	Rutine
Peak:m/z	Relative Intensity
55.05489	0.3
57.03428	2.1
61.02906	0.6
65.03902	0.3
68.99786	0.4
69.03411	1.3
69.57254	2.1
71.04980	11.5
73.02913	0.5
75.04459	0.6
80.22219	0.2
81.03391	0.9
83.04960	0.3
85.02890	16.0
87.04473	0.3
97.02881	1.5
99.04417	0.3
105.94722	0.2
105.98565	0.2
109.02868	0.6
111.00761	0.5
111.04391	0.3
121.02831	0.8
121.99380	0.3
123.04440	0.4
127.03874	1.2
129.05449	3.2
137.02333	2.5
145.04951	0.9
147.06508	0.9
149.02390	0.4
153.01762	2.8
163.03847	0.6
165.01805	2.1
166.02602	0.3
177.05533	0.3
183.02933	0.7
201.05522	1.2
228.03938	0.3
229.04950	3.5
247.06183	0.5
257.04385	3.1
274.04721	0.5
285.03854	1.2
303.04941	100.0
303.34216	0.3
304.05289	1.0
345.05896	0.4
395.25006	0.3
465.10342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03942	0.2
57.03432	3.0
68.99792	0.4
69.03431	0.2
69.66596	1.2
71.01338	0.2
71.04987	22.4
73.02920	0.5
75.04472	1.1
80.64573	0.2
83.04967	0.5
85.02898	24.1
86.14287	0.2
87.04458	0.7
98.20773	0.3
99.04453	0.3
109.02889	0.3
111.00792	0.8
111.04443	0.4
121.02863	0.7
123.04427	0.2
127.03889	0.4
129.05472	6.0
131.49022	0.2
135.04448	0.2
137.02324	2.8
141.08485	0.2
147.06514	1.2
149.02350	0.5
149.13026	0.1
153.01811	3.0
161.05962	0.2
163.03897	0.2
164.18336	0.2
165.01849	1.8
166.02568	0.4
173.05959	0.2
183.02869	0.7
183.04337	0.2
187.03848	0.2
195.02895	0.2
201.05473	1.2
213.39987	0.2
219.06581	0.3
229.04973	3.5
247.06062	0.6
257.04410	2.7
274.04803	0.6
285.03964	1.0
287.05484	4.1
288.06042	0.2
303.04965	100.0
304.05325	2.1
343.44449	0.2
345.05933	0.6
369.06036	0.3
413.08707	0.3
418.89761	0.2
449.10583	0.5
465.10257	19.2
466.10553	0.8
584.35602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03946	0.2
55.01862	0.3
55.05494	0.4
57.03429	2.3
61.02913	0.4
65.03918	0.2
68.99792	0.4
69.03426	1.0
70.06592	0.2
71.01363	0.3
71.04984	16.2
71.61192	0.2
72.08141	0.2
73.02902	0.4
75.04482	0.7
80.57663	0.1
81.03410	0.4
83.04983	1.0
85.02894	21.2
86.03197	0.1
86.09711	0.1
87.04465	0.6
89.10790	0.1
91.05457	0.3
91.21140	0.1
93.03397	0.2
95.04957	0.2
97.02878	0.7
98.21022	0.2
99.04447	0.3
103.03952	0.1
109.02863	0.5
111.00806	0.9
111.04430	0.5
121.02877	0.7
123.04437	0.5
127.03889	1.0
129.05463	5.3
135.04411	0.3
137.02316	3.0
139.03889	0.3
145.04944	0.5
147.04407	0.1
147.06485	1.1
149.02351	0.5
151.03920	0.1
153.01805	3.0
161.06001	0.3
163.03864	0.6
163.07442	0.1
164.07178	0.1
165.01830	1.4
173.06027	0.2
179.03392	0.2
183.02940	0.7
183.04355	0.2
187.03905	0.3
191.03407	0.2
191.06967	0.2
195.02887	0.2
201.05435	1.4
213.05487	0.2
215.03262	0.2
219.02878	0.2
219.06505	0.2
228.04010	0.1
229.04932	3.5
237.02736	0.2
245.04510	0.1
247.05975	0.8
257.04395	2.5
274.04736	0.8
275.05539	0.3
285.03873	1.1
287.05453	1.8
302.04269	0.2
303.04947	100.0
304.05289	1.6
307.60150	0.1
315.04959	0.6
319.04459	0.2
345.06061	0.9
369.06003	0.3
392.64517	0.1
398.72873	0.1
413.08466	0.3
431.09863	0.2
448.19431	0.2
449.10654	1.4
465.10239	16.4
466.10406	0.4
611.04077	0.2
611.16058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2855
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
63.70201	0.3
66.63943	0.3
66.99783	0.3
67.05495	0.8
69.68236	0.3
79.05479	0.4
81.07053	0.7
83.08633	0.4
85.02886	0.4
88.57397	0.3
89.54994	0.3
90.73705	0.3
91.05460	0.5
93.07039	0.8
95.08590	0.7
105.06998	0.3
109.10139	0.4
117.06969	0.4
119.08582	0.4
121.10100	0.3
121.45393	0.3
133.10088	0.3
147.11765	0.3
229.80843	0.5
303.05093	1.9
354.77582	0.3
377.17593	0.3
378.17773	0.3
379.19391	0.7
389.17191	0.3
391.19189	1.2
393.20822	0.9
397.75137	0.3
403.19189	0.8
405.17084	1.1
405.21204	0.9
406.17664	0.5
407.22678	2.7
418.17889	0.9
419.18057	2.6
420.18915	0.6
420.23645	0.7
421.20206	2.3
422.20795	0.7
423.21674	1.2
431.18414	0.4
432.19083	0.4
433.20117	6.4
433.25317	0.4
434.21173	2.9
435.17880	2.6
435.22064	2.7
436.18143	0.5
437.23349	3.2
438.23663	0.5
445.20422	0.4
446.20966	0.7
447.22177	1.8
448.23380	0.4
449.19250	3.9
450.20123	1.7
451.21078	2.3
461.23822	0.5
463.20850	2.8
464.21976	6.9
465.22800	6.4
466.23517	0.5
475.21368	0.4
477.23035	2.3
478.23807	0.7
479.86075	0.3
491.24045	1.2
492.24988	0.4
493.22491	1.0
496.24747	0.7
509.21088	1.3
521.25494	5.0
523.22485	0.5
523.26202	0.5
533.25348	0.7
536.24152	0.5
537.25006	0.4
551.26471	23.8
552.26691	1.0
579.26215	0.9
580.27130	0.4
581.27625	1.4
582.24524	0.6
583.29218	0.5
593.27435	1.1
611.28540	100.0
612.28729	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	611.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05503	65.4
57.03426	2.6
57.07069	2.7
62.24940	1.1
67.05497	10.1
69.03407	1.8
69.07060	9.7
71.04971	3.0
71.08664	1.1
73.02914	1.4
79.05486	9.4
81.07046	23.1
83.04971	100.0
83.08607	4.5
85.02897	4.6
91.05454	16.1
91.05913	1.3
93.07030	23.3
95.04961	3.6
95.08595	25.1
97.02866	2.3
97.06547	2.5
97.10181	2.0
98.20695	2.8
105.07012	21.0
107.08577	32.0
109.06516	4.7
109.10146	18.8
111.08073	2.5
111.11713	1.4
111.68980	1.4
115.05416	1.3
117.06996	6.0
119.08569	32.4
121.06520	3.9
121.10128	27.7
123.08048	2.9
123.11700	9.8
129.06985	4.8
131.08556	17.2
133.06485	3.3
133.10103	19.5
135.08060	4.0
135.11670	21.4
137.09615	1.9
137.13245	4.1
139.03934	1.3
139.11226	1.9
141.06940	2.9
142.07756	3.6
143.08525	10.4
145.06474	4.3
145.10110	19.4
147.04404	1.7
147.08037	5.0
147.09084	1.2
147.11659	14.3
149.05978	2.4
149.09590	6.7
149.13232	7.0
151.11165	1.7
153.01767	1.3
155.08569	7.3
156.09341	3.7
157.10107	14.0
158.07384	1.3
158.10873	2.2
159.08028	10.2
159.11656	12.0
161.09616	3.6
161.13226	10.6
163.07481	1.9
163.11160	3.8
163.14796	3.5
165.06967	1.5
165.12709	1.7
167.08484	2.6
169.10077	7.5
170.10889	4.6
171.08032	7.0
171.11646	10.0
171.96240	1.2
172.08807	1.9
173.09604	8.1
173.13235	8.7
175.11189	3.4
175.14824	6.0
177.12747	1.9
177.16362	2.1
179.14333	1.8
180.09348	2.0
181.10139	3.4
182.10852	2.8
183.08022	4.2
183.11659	9.1
184.08742	1.8
185.09662	6.7
185.13229	12.3
186.10443	5.0
187.07556	2.7
187.11206	6.2
187.14799	9.7
189.12704	3.7
189.16365	15.8
191.10718	1.9
191.17908	11.5
193.10152	2.5
195.11665	4.7
197.09621	3.3
197.13232	7.6
198.10356	3.3
199.11139	15.5
199.14803	4.9
200.11938	1.4
201.09056	1.9
201.12723	19.6
201.16336	6.4
203.10670	1.4
203.14304	5.3
203.17908	6.7
203.79472	1.1
205.19601	1.4
207.11705	3.6
207.17418	4.7
209.09573	1.7
209.13242	6.2
211.11172	4.8
211.14848	3.2
213.12718	27.6
213.16348	4.5
215.10637	2.7
215.14278	16.9
215.17953	4.8
217.12244	8.2
217.15909	2.4
217.19524	4.0
221.13297	1.5
223.14801	3.9
225.12659	7.9
225.16420	3.7
227.14317	3.6
227.17906	2.9
229.15865	2.0
229.19531	3.8
229.71965	1.2
231.13770	18.1
235.14879	2.0
237.12860	1.4
237.16399	5.7
239.14200	1.7
239.17993	5.2
241.15840	4.5
241.19577	3.0
243.13750	31.4
243.17477	2.2
245.15550	2.9
247.13257	1.6
247.20598	2.9
249.16351	5.0
251.14282	2.3
251.17961	5.0
253.15901	2.4
253.19586	3.0
255.21123	2.7
257.15485	2.7
257.22623	2.0
261.14697	10.2
265.15906	1.8
265.19284	1.6
267.17456	5.1
269.18970	1.9
271.20554	1.7
273.14810	2.9
273.21896	1.7
279.17462	2.6
281.18982	2.3
285.10123	1.9
295.20575	1.9
303.04962	17.1
303.15863	6.1
307.20700	2.0
321.17084	2.0
343.19043	6.5
361.19971	5.8
364.29254	1.4
375.30478	4.5
385.28842	1.8
387.30374	3.3
393.31546	19.7
403.21329	2.9
403.29813	14.2
405.31387	13.0
415.29794	5.9
421.30960	46.2
422.31128	1.6
423.32520	11.0
433.30920	20.4
439.32037	25.5
451.26205	2.1
451.31995	22.9
463.31949	2.1
469.33142	8.6
481.33130	17.6
493.33072	5.6
511.34213	10.6
533.36060	2.3
551.37213	4.5
588.34424	2.0
591.72333	1.7
593.38324	2.6
611.39508	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.30511	1.3
55.05503	61.3
57.03420	2.4
57.07062	2.5
62.73211	1.4
66.52805	1.3
67.05498	12.3
69.03419	4.4
69.07059	9.4
71.04989	8.7
71.61755	1.7
71.62102	1.4
73.02905	1.3
79.05495	9.2
81.03409	2.3
81.07047	19.8
83.04972	100.0
83.08622	5.2
85.02888	10.4
85.06533	2.0
85.48234	1.1
91.05447	13.8
91.62917	1.3
93.07035	22.6
95.04970	6.1
95.08598	26.7
97.02911	1.6
97.06552	2.4
97.10152	2.4
98.21046	1.2
99.04478	1.8
100.61258	1.2
104.69507	1.2
105.07030	18.6
107.04942	2.9
107.07848	2.2
107.08578	36.6
108.29310	1.4
109.06523	2.8
109.10134	15.3
109.69569	1.3
111.04397	1.3
111.08057	2.4
113.43571	1.2
115.05434	3.2
117.06979	3.7
119.08564	29.2
121.06490	2.9
121.10129	26.5
123.04392	1.9
123.08036	3.5
123.11713	9.4
125.09617	1.9
127.03904	3.2
128.06158	1.4
129.05450	1.8
129.06996	4.9
131.08551	15.2
133.06476	2.8
133.10115	18.8
135.08051	4.9
135.11682	17.5
137.05949	2.4
137.13239	4.1
137.14369	1.1
139.03851	2.5
141.06984	2.9
141.38428	1.2
142.07750	2.1
143.08545	8.0
145.05144	1.4
145.06470	4.8
145.10109	16.4
147.04359	1.3
147.07979	6.9
147.11681	16.6
149.05977	2.6
149.09608	8.2
149.13217	6.6
151.07475	1.5
151.11110	1.8
155.08553	6.1
156.09303	5.1
157.10114	14.5
158.07312	1.6
159.08047	7.0
159.11670	14.4
161.05943	1.9
161.09576	5.4
161.13202	8.0
163.03914	1.9
163.11169	4.6
163.14841	3.0
167.07053	3.2
167.08536	2.9
169.10109	8.1
170.10860	4.5
171.08121	7.1
171.11659	11.0
172.12534	1.6
173.05992	1.8
173.09598	5.3
173.13240	9.5
175.07529	2.7
175.11160	4.5
175.14743	6.3
176.03687	1.3
177.09119	1.4
177.16382	1.9
179.14346	1.9
180.09349	1.6
181.10172	3.6
182.10893	3.9
183.08047	3.8
183.11688	7.1
184.08875	3.1
185.09578	4.0
185.13225	13.8
186.10397	5.9
187.07495	2.3
187.11162	5.5
187.14825	8.2
189.09163	2.5
189.12744	2.0
189.16356	14.2
191.17909	8.6
193.10101	2.8
195.11676	4.8
197.09581	3.7
197.13162	7.1
198.10385	3.4
199.11157	15.6
199.14778	4.4
200.12074	1.7
201.09035	1.6
201.12721	15.3
201.16399	4.4
203.14268	4.3
203.17891	7.3
205.12186	1.9
206.10780	1.6
207.11752	2.7
207.17430	3.7
209.13220	5.4
211.11162	3.3
211.14818	3.7
213.12700	24.4
213.16313	2.6
215.10745	2.1
215.14275	15.4
215.17990	3.9
217.12234	7.1
217.15813	1.9
217.19502	4.7
219.11670	2.4
221.13341	2.9
223.14807	5.9
224.15411	1.4
225.12744	6.4
225.16399	3.4
227.14310	3.8
227.17833	3.2
229.12234	3.9
229.15851	1.4
229.19435	3.2
231.13792	17.9
233.13313	1.8
233.15498	1.9
235.14960	1.7
237.16371	4.0
239.14339	2.2
239.17966	4.5
241.15829	4.6
241.19528	3.2
243.13780	26.8
245.15379	2.7
247.13225	2.3
247.20555	2.3
249.16393	5.5
251.18019	2.8
253.15939	4.0
253.19487	4.5
255.17485	2.3
255.20987	2.5
257.04391	1.4
257.15460	1.9
257.22562	2.1
261.14688	11.1
267.17426	5.6
269.12866	2.3
269.18912	3.1
273.14838	1.9
279.17529	2.2
281.18967	3.4
287.13898	2.4
293.19138	2.0
303.04956	40.5
303.15945	5.4
304.05341	2.1
321.16922	1.6
343.18930	6.6
361.20148	4.3
375.30475	5.6
387.30313	2.8
393.31464	17.0
403.21149	3.5
403.29993	15.6
405.31473	13.8
415.29855	6.6
421.30988	46.0
423.32455	9.9
433.31009	16.5
439.32053	29.7
451.32050	25.7
463.32013	3.5
469.33139	7.9
481.33148	16.2
493.33047	4.7
511.34479	7.9
533.36243	1.7
551.37036	3.5
593.38422	2.5
611.20288	1.5
611.29987	5.3
611.39465	30.9
639.19159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
55.05495	2.5
58.99861	1.8
65.00290	0.9
65.55779	0.8
67.05498	4.1
69.07065	3.5
69.34262	9.5
71.54626	0.9
72.96057	0.9
77.00906	15.0
78.00979	0.7
79.05492	7.3
81.03401	1.9
81.07045	6.5
83.08602	2.5
85.02884	1.0
91.05412	4.1
93.07042	8.5
95.01357	1.3
95.01936	15.3
95.04967	1.3
95.08608	4.1
97.10131	2.2
98.21466	1.2
100.02469	3.0
105.07029	5.1
107.04990	0.8
107.08597	3.6
109.10146	2.4
117.06989	1.4
118.03506	2.4
119.08569	4.2
121.10134	2.9
125.04545	0.9
129.07013	1.4
131.01872	6.2
131.08572	2.1
131.62648	0.8
133.10136	3.3
135.11726	2.1
137.03001	1.1
145.03374	0.8
145.10104	3.9
147.11638	1.2
149.02942	9.3
157.10146	1.0
159.05089	1.2
159.11694	2.5
163.04482	1.1
171.11688	1.4
173.06593	1.7
177.06035	0.9
187.08122	2.8
197.10155	1.2
199.08264	1.2
201.09714	2.7
205.09158	2.1
211.13295	0.9
213.09717	1.8
215.11290	6.9
219.08736	1.1
219.10625	1.4
227.11218	2.3
229.12846	3.8
233.12323	3.0
238.12907	1.0
241.12781	1.7
247.11798	3.3
247.13994	1.2
261.13339	2.5
266.13641	1.0
269.17487	1.2
269.32449	0.9
274.10898	0.9
275.14639	1.0
279.14435	1.1
284.15002	1.3
297.16824	6.0
299.18515	41.0
300.18777	1.6
301.16647	1.0
301.20078	2.3
303.04944	7.1
313.16388	5.1
313.19678	1.1
315.18036	27.9
316.17618	1.3
317.19592	100.0
318.19907	3.9
319.21207	4.4
329.19498	1.3
333.18863	2.8
334.17694	2.4
335.20660	63.1
336.20908	2.2
337.22394	1.4
338.19589	7.4
338.57172	0.9
340.21185	29.4
342.22614	1.9
352.18530	1.3
353.21683	3.4
355.21335	1.3
356.07175	1.1
357.22855	1.4
358.22354	7.6
369.22818	1.6
381.23340	1.6
383.24207	1.3
395.24353	1.0
397.25760	1.2
409.25787	1.6
423.27579	1.3
467.30374	1.3
479.30023	1.9
505.31732	1.9
557.38135	1.2
575.39355	17.7
576.39648	1.0
593.39941	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	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03933	1.7
55.01871	1.1
55.05504	17.0
57.03178	0.5
57.03433	6.1
57.07070	4.0
65.00881	0.5
65.03927	2.0
67.05496	40.1
68.05836	0.6
69.07061	16.3
70.75268	0.9
70.75590	0.8
71.04977	2.1
71.08622	1.6
77.03957	0.5
79.05482	28.7
81.07048	43.2
83.04976	1.8
83.08610	8.8
85.06538	2.4
89.06017	1.0
91.05467	27.7
93.07031	33.4
95.04959	5.2
95.08595	34.0
97.06527	3.0
97.10165	4.8
99.08053	0.9
103.05443	0.9
105.04525	0.6
105.07021	28.4
107.07840	1.1
107.08584	23.5
109.06523	1.3
109.10141	14.8
110.62475	0.5
110.96995	0.4
111.08062	1.6
111.11715	0.7
111.35464	0.5
112.84146	0.5
115.05454	1.0
117.07002	11.8
119.08567	24.8
121.10133	16.3
121.11013	0.9
123.08051	1.0
123.11700	5.6
125.09622	1.7
128.06235	1.7
129.05463	1.1
129.06982	10.4
131.08553	21.7
132.08957	0.6
133.10114	20.8
135.08084	0.9
135.11665	12.1
137.09659	0.7
137.13231	1.7
139.11176	0.9
141.07001	2.4
142.07736	1.4
143.08543	10.0
144.09265	0.6
145.10107	19.6
147.11678	17.9
149.09593	0.8
149.13226	6.5
150.57561	0.6
155.08539	5.2
156.09288	1.0
157.10107	11.8
158.10936	0.7
159.11670	17.2
161.13248	11.3
163.11113	0.9
163.14812	3.3
165.12860	0.6
167.08589	1.6
168.09325	0.7
169.10109	7.6
170.10884	0.7
171.11668	12.0
172.12253	0.7
173.13245	11.4
175.14792	6.4
177.12746	0.5
177.16422	1.4
181.10141	2.2
182.10944	0.5
183.11662	6.8
184.52888	0.5
185.11617	0.8
185.13229	9.7
187.14786	6.3
189.12759	0.7
189.16316	2.4
191.14314	0.5
195.11589	2.8
197.13217	6.0
199.14827	5.4
201.16370	3.6
203.17879	0.7
204.04926	0.6
207.11765	0.7
209.13274	2.1
211.14792	4.3
213.16394	4.0
215.17952	2.1
217.15825	0.5
217.19576	0.8
219.17520	0.7
221.13220	0.9
223.14799	2.1
225.16394	2.5
227.17978	2.2
229.19504	1.5
231.21121	1.6
233.18854	0.7
237.16362	1.0
239.17958	2.4
241.19649	7.2
243.21152	1.4
245.18974	0.9
249.16484	0.6
251.18117	1.0
253.19559	1.4
255.21162	1.0
257.19077	2.8
259.20544	15.7
261.22092	3.4
265.19458	0.6
267.21094	1.0
271.20557	1.1
277.21765	0.8
283.20554	0.9
285.22128	1.2
297.22101	0.7
299.23447	0.9
301.21655	0.7
309.21826	0.7
311.23688	1.3
313.25363	1.0
315.23172	1.4
325.25302	1.8
327.26602	1.0
331.22543	0.6
333.24188	8.6
335.25803	11.8
337.27597	0.7
339.27023	0.9
341.28427	0.7
353.28546	1.4
365.28436	0.7
367.30115	0.5
379.30292	0.7
381.31482	1.1
393.31183	0.7
427.31491	0.7
445.33722	0.6
451.36050	0.6
489.35944	0.9
501.35309	0.8
503.37292	0.9
515.36920	0.6
519.41919	6.6
527.37524	0.7
529.38831	0.9
537.43329	3.4
541.38849	2.6
555.43970	0.6
575.43964	0.7
593.45514	8.0
611.46600	100.0
612.46930	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01865	1.4
55.05502	9.2
55.83634	0.8
57.03429	2.7
57.07064	2.9
58.29316	0.8
60.69005	0.7
65.03924	0.8
67.05495	24.8
67.10273	0.7
69.07056	10.2
69.13734	0.7
70.77165	2.1
70.77504	0.9
71.04987	1.1
71.08603	1.7
79.05479	15.2
79.05904	1.4
81.07047	20.4
83.04961	1.7
83.08607	7.3
86.72852	0.7
91.05457	12.8
93.07030	16.7
95.04970	3.0
95.08039	1.5
95.08600	18.1
97.06538	1.8
97.10171	3.3
99.08072	0.9
105.07015	13.7
105.07663	1.0
107.08577	10.1
109.06530	1.1
109.10130	7.1
109.84948	0.9
111.08038	1.0
115.05434	1.1
117.06989	10.1
119.08550	11.7
121.10139	8.0
123.08035	1.2
123.11710	1.9
125.09650	0.9
128.06207	2.4
129.06989	8.0
131.08542	14.0
133.10114	10.4
135.11716	5.0
137.13174	1.0
141.06999	2.3
142.07741	1.9
143.08539	12.7
145.06505	0.8
145.10127	11.6
147.11681	5.9
149.13242	2.2
153.06920	0.9
155.08498	5.3
156.09306	1.1
157.10110	10.0
159.11685	8.7
161.13234	3.8
163.14842	1.9
166.07921	0.7
167.08597	1.6
168.09203	0.8
169.10120	8.1
171.11649	7.9
173.13271	7.2
175.14874	2.2
177.16418	0.9
181.10126	3.3
183.11670	8.3
183.39101	0.7
185.13179	5.6
187.14780	3.8
189.16365	1.0
195.11705	2.8
197.13307	5.3
199.14771	5.2
201.16364	2.3
207.11725	1.4
209.13278	2.8
211.14792	2.5
213.16412	3.7
215.17950	2.8
217.19429	0.8
223.14879	1.8
225.16403	2.7
227.17976	2.7
229.19530	2.3
237.16377	1.8
239.17947	1.5
241.19623	1.6
243.21078	1.4
249.16252	0.9
251.18073	1.0
255.21259	0.9
267.21024	1.3
269.22543	1.0
275.20316	1.4
277.21750	1.0
285.22147	1.1
297.22061	1.1
309.22061	1.0
311.23480	0.8
315.89627	1.0
339.26849	1.3
353.28348	1.4
501.40833	1.5
519.41809	7.5
537.42908	4.3
541.38959	1.5
593.45709	9.5
611.46606	100.0
612.46967	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	611.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03926	2.1
55.01888	1.1
55.05509	14.5
57.03435	4.5
57.07064	2.8
57.34126	0.9
60.21481	0.7
60.50336	0.7
65.03940	2.3
67.05499	36.1
69.07066	12.1
70.90465	1.7
70.90804	1.0
71.04984	1.4
71.08648	0.8
79.05487	27.0
81.07051	40.1
83.04978	1.6
83.08613	7.4
85.06541	1.1
91.05470	25.2
93.07034	32.7
93.69010	0.8
95.04973	5.1
95.08599	31.9
97.06541	2.0
97.10162	3.1
99.08067	1.0
103.05440	0.8
105.07022	26.0
107.08588	18.7
109.06506	1.6
109.10143	12.3
111.08121	0.8
111.11704	1.0
113.09653	1.1
115.05479	1.3
115.31006	0.8
117.07006	13.7
119.08569	25.0
121.10137	17.8
121.11011	1.0
123.08075	1.4
123.11701	3.0
125.09691	1.0
128.06256	2.1
129.06996	8.7
131.08551	20.5
131.09505	1.3
133.10124	19.5
135.11681	11.2
137.09615	1.1
137.13251	1.4
141.07001	2.3
142.07768	2.4
143.08556	12.0
145.10114	20.1
147.11665	15.8
149.13266	5.8
155.08540	4.5
157.10109	11.7
159.11664	14.9
159.12842	1.3
161.13216	8.9
163.14854	1.9
167.08604	1.4
169.10106	5.2
170.10873	0.9
171.11679	11.4
173.13239	10.1
175.14857	5.1
177.16345	1.2
181.10100	2.3
183.11708	3.6
185.13210	7.7
187.14798	4.3
189.16376	1.6
195.11720	2.5
197.13235	4.5
199.14801	4.5
201.16432	3.6
203.17850	1.0
207.11655	1.0
209.13246	2.1
211.14795	3.2
213.16429	3.7
215.17949	1.9
221.13345	1.5
223.14754	1.4
225.16273	1.4
227.18007	2.1
229.19534	0.9
231.21024	1.6
239.17970	2.1
241.19611	6.4
257.19073	3.7
259.20551	14.7
261.22165	2.6
283.20496	1.1
285.22260	1.3
297.22137	1.0
299.23663	1.0
311.23450	1.3
315.23123	1.7
333.24252	8.9
335.25775	15.4
353.28525	1.1
365.05710	1.0
367.30316	1.3
380.20660	1.0
461.33109	1.0
501.40970	1.5
503.37369	1.4
519.41882	5.7
537.42883	2.9
541.38776	1.4
593.45508	9.2
611.46625	100.0
612.46643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2651
Annotation	Karajinone B
Peak:m/z	Relative Intensity
54.57075	0.2
55.05508	0.5
57.03436	0.3
67.05502	0.8
67.37698	0.2
68.56100	0.3
69.07047	0.6
69.72712	0.3
79.05490	0.6
81.07057	0.7
91.05473	0.6
93.07038	0.5
95.08617	0.5
105.07047	0.4
107.08585	0.6
109.06504	1.7
109.10136	0.3
119.08569	0.6
121.10155	0.6
132.56818	0.3
133.10164	0.4
137.50101	0.3
144.08133	0.3
145.10158	0.3
147.11650	0.3
199.08490	0.3
204.06586	0.5
225.10439	0.4
229.75833	0.4
235.08487	0.3
237.10191	0.3
247.12479	0.3
251.11789	0.3
255.11107	0.4
263.11743	0.4
265.13492	0.4
290.12851	0.3
291.11340	0.4
293.21066	0.4
324.14761	0.3
337.14789	0.4
338.15341	0.4
352.17157	0.7
353.17822	0.6
365.13965	0.4
366.14771	0.7
367.15628	0.7
367.19315	1.1
368.20273	0.5
379.15576	0.4
380.16327	0.8
381.16898	2.1
382.17871	0.6
393.17239	0.5
394.18204	0.6
395.14484	0.5
395.18732	3.2
396.19354	2.8
397.20264	1.1
407.18793	0.6
408.19531	0.9
409.15680	1.7
409.20486	1.3
410.21216	1.0
411.22144	2.4
422.17255	0.5
423.17621	3.3
424.18863	3.8
425.19525	0.7
435.18323	0.4
436.19394	0.5
437.15942	1.7
437.20297	1.2
438.20538	2.3
439.21298	5.3
449.19724	1.2
450.20987	0.6
451.16730	3.7
452.17535	1.7
453.19305	1.1
465.19330	1.5
466.19788	4.1
467.20706	3.2
469.22110	0.3
479.20798	2.8
482.23062	1.2
483.24338	1.3
493.22433	1.5
495.20306	0.6
497.18414	0.4
497.25522	1.5
498.22586	0.5
510.22641	1.4
511.19604	0.8
521.22308	0.5
525.25024	8.9
535.23438	0.8
536.23499	0.4
538.22260	1.7
539.22711	0.8
553.24408	17.9
554.24420	0.7
581.23419	0.7
584.22406	0.4
598.24011	0.9
613.26483	100.0
614.26898	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	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.51224	0.4
53.03932	1.6
53.43373	0.5
55.01870	1.0
55.05254	0.7
55.05507	12.3
57.03434	4.3
57.07072	2.0
59.04995	0.4
65.03928	1.4
67.05497	34.1
69.07061	12.6
71.04964	0.9
71.08598	0.7
71.25974	0.9
72.54414	0.4
77.97762	0.5
79.05482	17.0
81.07047	39.9
83.04984	1.2
83.08607	6.9
85.06528	1.2
91.05470	16.6
93.07032	25.3
94.12649	0.4
95.04950	1.7
95.08595	31.5
97.06512	1.8
97.10146	4.2
99.08073	0.7
105.04525	0.5
105.07018	15.8
107.07858	0.9
107.08582	15.7
109.06503	1.0
109.10148	15.7
111.08084	1.3
111.11734	0.6
113.09621	0.6
115.05430	0.7
117.07008	6.0
119.08566	16.9
121.10126	13.0
123.11694	7.1
125.09586	0.8
128.06247	0.6
129.06982	3.3
130.07854	0.5
131.08553	13.7
131.09506	0.9
133.10120	14.1
133.11064	0.9
135.08116	0.4
135.11676	9.4
137.09634	0.6
137.13254	2.3
139.11192	0.9
141.06998	0.7
142.07712	0.6
143.08536	4.5
144.09314	0.6
145.10107	12.4
147.11665	10.4
147.12779	0.7
149.09650	0.6
149.13252	6.3
149.14351	0.7
151.11273	0.5
151.14812	0.9
155.08505	1.2
156.09322	0.4
157.10098	4.0
159.11673	10.2
161.13237	7.7
163.14812	3.6
165.16472	0.6
169.10115	1.7
171.11656	3.8
173.13245	9.2
173.46053	0.4
175.14806	4.7
177.12753	0.7
177.16414	1.1
183.11604	2.2
185.13240	3.7
187.14812	4.6
189.16345	2.1
191.17995	0.9
193.15942	0.4
197.13303	1.7
199.13196	0.8
199.14841	2.5
201.16327	2.3
203.17935	1.6
208.52130	0.5
211.14760	0.9
213.16408	1.9
215.17953	1.8
217.19511	0.5
219.17558	0.6
223.14771	0.5
225.16362	0.5
227.18024	1.3
229.19614	0.9
231.21014	1.0
233.19000	0.8
239.17924	0.5
241.19609	2.9
243.21144	2.0
245.22539	0.8
247.20595	0.6
255.03424	0.5
257.18829	0.4
259.20551	7.5
261.22134	8.2
263.23657	1.2
271.20721	0.6
271.23816	0.4
273.22272	1.2
275.23871	0.6
277.21591	0.9
279.23242	0.9
281.21069	0.6
285.22073	0.6
287.23776	0.8
291.23331	0.8
299.23557	0.7
313.25244	0.8
315.23346	0.6
315.26733	0.5
317.24829	1.6
323.26071	0.6
327.26685	1.0
329.24667	0.5
333.24225	5.1
335.25775	13.1
337.27362	8.4
341.28473	0.9
343.29898	0.5
347.25735	0.9
349.27350	0.8
355.30005	0.8
363.29004	0.4
371.29321	0.9
389.30353	0.6
397.34671	0.6
431.31793	0.6
475.34171	0.8
489.35651	1.2
503.37323	1.5
503.43625	0.7
505.38916	0.7
517.38879	1.0
521.43433	4.5
529.38727	1.7
539.44812	2.7
543.40552	1.2
567.44727	0.5
595.47137	11.3
613.48175	100.0
614.48541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4817
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03926	1.5
55.01852	0.8
55.05503	15.7
55.84888	0.5
57.03228	0.4
57.03436	5.6
57.07071	3.1
62.58055	0.5
63.68405	0.5
65.03920	1.6
67.05496	45.5
69.07059	17.3
70.12093	0.7
70.12455	2.9
71.04970	2.4
71.08618	1.2
79.05480	24.1
81.07047	50.8
83.04955	1.5
83.08611	10.9
85.01944	0.5
85.06519	1.5
91.04894	0.5
91.05466	19.3
93.07032	32.4
94.09742	0.6
95.04958	3.0
95.08595	47.4
97.06515	2.7
97.10156	5.9
98.21360	0.7
99.08070	0.8
105.07016	23.3
107.08578	25.5
109.06471	1.1
109.10144	22.2
110.13132	0.5
111.08084	1.7
111.11700	0.8
113.09632	0.6
117.07005	8.3
119.08568	23.5
121.10122	19.2
123.08025	1.4
123.11699	10.1
125.09576	1.1
129.07019	4.5
130.07755	0.9
131.07567	1.1
131.08549	17.6
131.09497	1.3
133.10114	21.7
135.08093	0.5
135.11676	13.9
137.13228	3.4
139.11180	0.9
141.06972	1.2
143.08536	5.0
145.10103	18.0
147.11670	16.4
149.13240	6.9
151.11174	0.7
151.14842	1.0
153.12784	0.7
155.08574	2.2
157.10098	6.3
159.11674	14.2
161.09612	0.6
161.13242	10.0
163.14781	5.1
165.16426	0.9
167.08588	0.7
169.10181	2.7
171.11633	6.9
173.13235	10.8
175.14793	6.0
177.16368	2.5
181.10078	1.1
183.11713	2.4
185.13225	6.0
187.14798	6.2
189.16382	2.9
191.14282	0.9
191.17923	0.8
195.11676	0.7
197.13321	1.9
199.14789	3.7
201.16330	3.7
203.17969	2.3
209.13222	0.8
211.14847	1.6
213.16418	2.6
215.17918	2.6
217.19533	2.0
225.16356	1.0
227.18022	1.5
229.15564	0.6
229.19406	1.4
231.21112	1.8
233.18954	0.7
239.18002	0.6
241.19519	2.5
243.21097	2.4
245.22672	1.1
247.20665	1.6
259.20535	7.2
261.22092	10.0
263.23642	1.7
273.22192	0.9
275.23593	0.7
285.22073	1.3
287.23669	1.4
295.22675	0.7
297.24609	0.6
299.23706	1.9
313.25314	1.3
315.23398	0.9
317.24814	1.8
319.26517	0.7
323.25693	0.6
327.26941	1.3
333.24207	5.0
335.25751	11.6
337.27362	7.9
343.26303	0.6
347.25653	0.6
351.25491	0.6
355.30045	1.0
381.31409	0.6
425.83582	0.5
427.42969	0.6
445.51630	0.6
475.33401	1.0
489.35498	0.7
503.37088	2.3
503.43378	1.1
515.36804	0.7
521.43469	5.5
529.38721	1.3
531.39752	0.6
539.44708	2.7
543.40033	1.4
571.43140	0.7
595.47070	11.8
613.48169	100.0
614.48383	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	614.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
55.05512	0.5
56.96559	9.9
60.55844	0.4
61.54169	0.3
67.05514	0.9
67.53257	0.3
69.07050	1.0
69.48340	3.6
70.92834	0.3
79.05477	0.8
79.07123	0.4
81.07052	1.3
85.52480	0.4
91.05452	0.6
93.07008	0.6
95.08601	0.9
97.35635	0.4
98.97575	11.4
105.07015	0.6
106.40305	0.4
107.08556	1.2
109.06480	0.5
109.10148	0.7
112.18933	0.4
116.98605	16.3
119.08582	0.9
131.08574	0.8
133.10176	0.7
134.99646	18.6
135.08055	1.3
139.03931	1.1
140.00212	1.2
145.10123	0.4
147.03337	0.3
149.03308	0.4
153.00688	4.5
158.01259	2.0
159.11763	0.5
163.14821	0.4
171.03345	0.6
173.13264	0.5
176.02357	0.6
178.17567	0.4
189.04285	0.7
259.10065	0.6
265.11496	0.4
279.12726	0.4
283.97327	0.4
383.19827	0.5
385.16547	0.4
389.22919	0.8
395.19305	0.6
401.20566	0.5
417.20258	1.8
433.19424	0.5
443.21912	0.5
453.22812	0.5
457.24438	0.4
461.23642	0.7
463.25665	0.7
467.24835	0.7
475.25443	0.6
479.24866	1.7
481.26648	2.4
483.28195	2.5
485.25925	0.6
486.55804	0.4
491.24020	0.4
493.25821	0.7
495.28128	2.6
497.25592	1.2
499.27505	2.3
501.28900	4.1
506.29431	0.6
507.28000	2.3
513.28937	7.0
515.26892	0.6
519.30280	0.4
524.30109	0.5
525.28931	6.6
529.28241	0.5
531.29932	4.9
536.30548	0.5
543.29932	3.3
548.30371	0.7
549.30963	2.5
554.31500	0.6
555.29706	3.0
566.31445	0.5
567.31885	0.6
573.30872	34.9
574.31006	1.0
591.31976	100.0
592.32196	2.5
596.32977	1.8
609.33130	3.3
614.33508	24.9
615.23022	0.7
615.33813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40219	0.3
50.74250	0.3
55.01860	0.5
55.50555	0.3
55.94875	0.2
60.75466	0.3
67.01863	1.9
68.99780	2.8
69.03417	1.5
69.79472	1.7
71.04967	0.2
79.01852	0.4
81.03416	0.5
83.01328	0.3
85.02872	0.8
91.05475	0.3
94.57501	0.2
95.56460	0.2
96.08228	0.2
97.02901	1.2
111.00782	0.6
119.04924	0.2
123.04401	0.5
127.03900	0.7
129.06978	0.3
147.04420	0.3
153.01811	100.0
154.02168	0.4
163.03909	0.9
165.26160	0.3
167.04900	0.4
169.06444	0.3
171.02893	1.2
171.04277	0.4
175.03923	0.4
179.03401	0.3
179.04961	0.3
181.01300	8.5
185.05960	1.0
191.03368	1.9
195.04472	1.6
197.05983	1.1
201.05350	0.3
203.03325	0.7
207.04410	0.5
209.05983	0.3
211.03885	0.3
212.04655	0.3
213.05481	3.0
219.02832	0.6
223.03860	5.4
225.05446	1.1
227.03441	0.6
229.04938	0.6
231.02899	1.9
235.03880	0.6
237.05423	0.7
239.03481	0.4
241.04929	4.4
245.04393	0.7
247.02362	1.1
251.03369	4.5
253.04922	8.2
255.02800	2.2
256.03680	0.5
257.04440	1.1
258.05075	0.5
259.02475	1.0
265.04980	0.7
269.04428	8.2
271.05954	2.9
279.02969	0.7
279.06470	0.8
281.04385	4.8
283.02322	3.6
283.05328	0.4
285.03918	3.5
287.02081	0.3
289.04861	0.6
291.06387	0.4
293.04352	1.3
295.05948	0.5
297.03906	27.9
298.04486	0.5
299.05475	9.1
303.06400	0.6
305.02856	7.3
307.02371	0.6
307.05954	0.9
309.03848	0.4
310.04315	0.4
311.01855	0.7
311.05557	0.6
313.03375	2.8
314.04251	0.5
314.73132	0.3
317.04529	0.5
319.05972	1.1
321.03909	1.9
323.05533	0.5
325.03391	73.4
327.05103	0.8
329.03027	0.4
331.06000	0.7
335.01953	0.5
335.05435	2.5
339.05057	0.5
345.03909	1.1
347.05524	0.5
349.03320	2.1
349.06863	0.3
351.05017	1.0
353.02841	1.8
353.06552	0.3
359.05478	1.2
363.04993	1.9
371.05338	0.5
373.03210	0.6
375.05121	0.3
377.02576	2.0
377.06876	0.5
387.05063	2.0
389.06506	0.4
391.04343	1.6
395.03781	0.5
405.06250	0.7
406.17480	0.4
408.05099	0.3
409.05493	4.9
415.04471	1.7
417.06000	0.6
419.03952	7.1
423.07211	0.9
433.05573	3.3
435.06738	0.4
437.04990	31.2
438.05417	0.5
443.03918	0.4
451.06531	7.9
461.04932	4.6
479.06049	37.6
587.03815	0.5
597.09113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62577	0.2
55.01870	0.5
67.01865	2.1
68.99779	2.6
69.03419	1.5
70.74742	0.7
71.04971	0.5
81.03387	0.3
84.61404	0.2
85.02898	0.7
86.42788	0.2
92.02159	0.3
97.02871	1.0
101.48060	0.3
111.00809	0.4
123.04434	0.4
125.02321	0.3
127.03930	0.7
139.03914	0.3
139.05453	0.3
143.04944	0.3
147.04405	0.5
149.57274	0.2
153.01814	100.0
154.02165	0.5
157.06508	0.4
163.03896	1.0
166.02827	0.2
167.04913	0.5
169.06413	0.4
171.02858	1.0
171.04242	0.3
173.06004	0.2
179.03378	0.3
179.04881	0.2
179.70686	0.3
181.01309	7.5
183.04495	0.4
185.05951	0.8
191.03366	2.1
195.04398	1.6
197.05907	1.4
199.03870	0.6
200.61058	0.2
201.05481	0.5
203.03372	1.0
207.04399	0.6
211.03998	0.3
213.05463	3.5
219.02856	0.8
223.03873	4.3
225.05431	1.2
227.03297	0.5
229.04974	1.1
231.02884	1.9
235.03992	0.6
237.05585	0.4
239.03355	0.7
240.04187	0.3
241.04909	4.2
243.06696	0.3
245.04483	0.7
247.02330	1.4
251.03394	4.7
251.06328	0.3
251.07114	0.3
252.04102	0.2
253.04929	7.8
255.02933	1.6
255.05261	0.3
257.04312	1.1
258.05167	0.4
259.02402	0.9
265.04971	0.9
268.03784	0.3
269.04446	8.5
271.06003	2.7
273.03833	0.6
279.02914	0.9
279.06436	0.6
281.04437	4.3
283.02386	3.3
283.05521	0.5
284.03210	0.3
285.03897	3.0
287.01703	0.3
287.07043	0.3
289.04910	0.4
293.04440	1.0
295.05966	0.5
297.03912	27.4
298.04553	0.5
299.05484	8.0
301.03372	0.4
303.06516	0.3
305.02762	6.0
307.06039	0.9
309.03867	0.6
310.04675	0.5
311.02014	0.4
311.05460	0.7
313.03427	2.6
314.04407	0.5
317.04413	0.3
319.05988	0.6
321.03873	1.7
323.05670	0.4
325.03400	67.4
326.03632	0.4
327.04962	0.7
329.03049	0.3
331.06049	0.5
335.05383	2.3
345.03873	0.9
347.05481	0.6
349.03232	1.5
351.05060	0.7
353.02780	1.7
359.05524	1.2
363.04968	2.1
373.03351	0.6
375.04767	0.5
377.02771	1.7
377.06982	0.5
381.06049	0.3
387.05020	2.2
389.06384	0.5
391.04544	1.5
395.03723	0.5
405.05923	1.0
409.05463	4.5
415.04376	1.4
417.06067	0.6
419.03967	6.9
423.07031	0.5
433.05466	3.2
435.07059	0.7
437.04996	28.0
443.03793	0.7
451.06570	7.6
461.04962	5.1
479.06058	34.7
480.06238	0.3
484.70636	0.3
537.77368	0.2
571.96161	0.3
597.09021	2.1
641.23444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.69293	0.3
56.96558	17.9
67.05504	1.5
68.23132	0.3
69.03409	0.5
69.07056	0.6
70.06571	0.5
71.34020	0.7
71.95267	0.6
74.97605	0.8
79.05485	1.2
81.03411	0.6
81.07050	1.8
83.04983	0.4
83.08592	0.7
84.96022	11.4
85.02889	0.3
91.05457	1.7
92.98634	0.3
93.07014	1.9
95.04985	0.8
95.08591	1.3
98.97565	6.2
102.97049	2.6
105.07043	1.8
107.08585	1.3
109.06528	0.6
109.10126	0.8
110.97552	0.7
112.99086	0.6
116.98608	7.5
117.06974	0.6
119.08588	1.6
120.98100	1.4
121.06474	0.5
121.10129	1.7
123.08060	1.0
124.99137	0.6
125.09622	0.4
125.98621	0.3
128.98579	2.2
129.06981	0.3
131.00150	1.3
131.08571	0.6
133.10068	1.6
134.99637	5.9
135.08049	0.6
137.09639	0.3
138.99214	0.3
139.00635	0.4
139.03899	0.9
140.00163	0.8
140.54118	0.3
140.98560	1.3
142.07843	0.3
143.00148	5.5
143.08559	0.7
144.98050	2.2
145.10083	1.4
146.99640	4.9
147.04407	0.7
147.08075	0.7
147.11679	0.6
149.01192	3.2
151.07549	0.7
152.92754	0.3
153.00732	1.1
155.00204	0.9
157.01718	1.2
157.10056	0.6
158.01262	0.8
158.99635	2.5
159.08040	0.3
159.11751	0.8
161.01202	16.4
161.09592	0.3
161.13290	0.4
162.99141	5.7
163.03952	0.4
163.11148	0.6
165.00716	1.4
166.01674	0.5
167.02289	2.3
167.10750	0.4
170.01213	0.6
171.11703	0.5
172.02803	0.6
172.94339	0.6
173.01175	3.6
173.02316	0.3
173.13219	0.4
175.02795	1.1
175.11263	0.5
175.14825	0.5
177.00684	2.3
179.02246	4.2
180.94789	0.7
181.00238	1.2
181.10123	0.4
181.12149	0.3
182.99590	2.7
184.02789	2.0
185.01241	0.6
186.00821	0.9
187.14769	0.3
189.04257	0.3
190.95341	1.9
191.02271	1.8
195.01750	0.4
196.02715	0.4
197.13297	0.4
198.95837	4.5
201.00677	9.5
202.03859	0.5
203.02254	1.1
203.14293	0.4
206.01225	0.4
207.13815	0.5
209.13298	0.4
212.97375	0.5
214.95445	0.3
216.96916	1.8
217.03787	0.7
219.01733	3.5
221.03253	0.4
221.15314	1.6
221.97458	0.8
222.95859	0.4
224.02263	1.8
224.97447	1.0
226.95163	0.3
228.96910	0.9
233.15341	0.5
235.04713	0.3
240.96844	3.5
241.10938	0.4
242.03375	0.6
242.98383	1.6
245.10509	0.5
246.95895	1.5
246.98055	1.3
254.98517	0.9
258.97855	1.6
263.98602	0.6
264.96854	8.5
269.99670	0.4
282.97937	14.1
287.98495	1.0
291.19547	0.7
296.99533	1.1
300.98969	11.6
305.99469	3.0
317.17844	16.1
318.18253	0.4
324.00565	1.9
335.18912	9.8
353.20206	0.4
357.01611	2.0
358.20490	3.6
375.02588	2.8
391.21790	1.4
398.04169	0.4
529.20941	0.4
557.21191	0.8
581.21112	0.4
599.21973	1.9
599.40643	0.7
617.22943	100.0
618.23236	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	617.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35214	0.8
55.05507	5.2
57.07064	1.4
59.04966	0.9
65.03918	2.3
67.05486	6.0
69.07070	6.0
71.04989	0.8
77.03944	0.9
79.05489	4.4
81.07038	11.0
83.04977	2.7
83.08608	4.2
85.06537	1.3
90.40725	0.8
91.05468	16.8
91.06010	1.6
93.07027	13.4
95.04959	3.0
95.08598	20.7
97.06519	1.5
97.10139	1.5
98.20666	1.4
105.07019	12.7
107.08581	18.6
108.09214	0.8
109.06496	2.7
109.10143	9.2
117.07021	2.6
119.04928	22.1
119.08564	20.2
119.09345	1.6
121.06494	1.2
121.10129	15.2
121.10918	1.7
123.08076	2.4
123.11697	3.6
125.09613	1.2
125.64533	1.0
129.06973	1.5
130.07767	1.1
131.08530	7.5
133.10121	15.9
135.08107	1.4
135.11664	7.2
137.09579	1.2
137.13251	1.6
141.06992	1.0
143.08536	5.4
145.10100	17.1
147.04391	100.0
147.08072	1.8
147.11671	8.5
149.02325	1.4
149.09561	1.2
149.13252	7.0
151.07501	2.1
151.11148	1.0
155.08537	2.1
157.10103	6.4
159.11676	14.2
161.09631	1.6
161.13260	6.0
162.03203	1.1
163.11125	1.5
163.14793	4.2
165.05446	22.8
165.09074	1.9
167.10683	0.9
169.10124	2.5
171.11688	5.4
173.13222	7.1
175.14818	10.8
177.09102	2.2
177.16425	4.9
180.19298	0.9
181.10037	1.0
183.11646	2.0
185.13255	2.7
187.14766	12.9
189.12752	1.3
189.16345	11.5
191.14316	1.3
191.17825	4.0
193.10086	0.8
195.11703	2.4
197.13232	2.4
199.14783	3.9
201.16360	23.4
203.14316	2.0
203.17953	2.7
205.15862	9.8
207.11661	1.1
209.13240	2.2
211.14815	2.0
213.16335	3.9
215.17879	6.0
217.15915	1.6
219.17346	5.8
221.15392	3.4
223.14792	1.1
225.16371	1.6
227.17963	3.4
229.15877	1.1
229.83850	0.8
231.17607	0.9
233.18834	1.1
235.16824	2.0
237.16510	1.1
239.17792	1.2
241.19496	2.3
243.20976	1.8
247.16884	9.8
253.19463	1.2
261.18549	0.9
267.21069	1.9
273.18457	2.0
279.21194	0.9
291.19305	1.9
293.22614	2.0
299.19836	1.8
305.22586	0.9
307.24161	1.3
311.23560	1.6
333.25806	1.0
335.66293	0.9
363.30917	0.8
367.62027	1.0
379.26144	1.5
389.31979	17.9
390.32425	1.0
407.33102	15.8
409.30627	4.4
417.31686	1.0
425.34241	1.8
435.32538	29.1
436.32703	1.1
453.33490	6.4
530.92047	1.1
596.10590	1.5
596.60388	3.3
599.41400	1.7
617.36102	4.7
617.40234	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	617.404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46743	0.5
53.03923	2.4
55.01866	6.7
55.05505	15.9
55.49325	0.5
57.03428	1.4
57.07049	1.1
59.04985	0.7
65.03933	1.4
67.05496	16.7
69.03425	3.2
69.07061	6.2
69.71556	2.3
69.71978	1.4
71.04977	1.4
79.05484	27.5
79.05949	1.4
81.03424	3.2
81.07047	63.7
82.07362	0.7
83.04961	6.2
83.08604	8.9
85.02890	2.1
85.06525	1.6
91.05466	15.5
93.07037	14.8
95.04959	13.2
95.08048	0.7
95.08600	8.6
97.02878	0.7
97.06496	2.4
97.10160	10.2
99.04482	0.7
101.09580	0.6
103.05470	0.7
105.03411	0.9
105.04425	0.5
105.07018	12.0
107.04937	5.0
107.08578	10.2
109.06507	25.3
109.10139	5.3
111.04440	5.8
111.08063	2.9
113.06009	0.6
115.05457	1.3
117.07011	11.0
119.04922	1.9
119.08562	22.2
121.06493	7.3
121.10097	5.1
123.04408	0.6
123.08066	3.9
125.09613	9.1
128.06201	1.2
129.06989	4.8
130.07750	0.9
131.08554	8.0
133.06508	2.9
133.10118	5.7
135.08031	6.1
135.11703	3.5
137.09625	2.5
139.11177	0.6
142.07762	0.7
143.08527	4.9
143.10648	0.6
145.06453	1.7
145.10094	11.1
147.04388	2.2
147.08032	11.5
147.11678	2.1
149.09616	4.1
149.13252	0.8
151.07536	0.7
151.11142	0.5
153.09090	1.4
153.12679	1.6
155.08557	1.5
157.06445	0.8
157.10130	3.9
159.08075	1.9
159.11642	2.5
160.60413	0.6
161.09628	7.4
161.13300	1.1
163.11159	7.8
165.09198	2.7
167.08565	0.8
167.10605	0.6
169.10092	2.0
171.08026	0.6
171.10362	0.5
171.11626	2.6
173.09573	2.0
173.13145	1.1
173.15974	0.5
175.11192	1.8
177.09140	0.6
177.12752	0.8
181.10236	0.8
181.12189	2.6
183.11682	0.7
184.07402	0.6
185.13223	2.4
187.11143	1.1
187.14766	0.7
189.11212	8.5
189.12735	1.3
191.10648	2.1
195.11662	0.9
197.13171	0.6
199.11177	1.2
203.10651	0.7
213.12733	1.2
219.17455	0.6
223.13225	4.0
227.12698	2.7
227.17917	1.7
237.16437	1.0
245.18965	2.0
249.14876	4.0
255.17418	4.3
273.18466	31.9
274.18768	0.7
278.76035	0.5
289.17899	0.8
291.19510	100.0
309.20535	3.3
435.32364	1.0
563.37518	0.9
581.37909	1.5
599.39490	1.6
617.24310	0.6
617.35345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.16059	0.6
55.01862	6.4
55.05504	23.0
57.03411	3.0
57.07061	1.2
59.04975	1.3
65.03928	1.5
67.05496	21.9
69.03417	4.3
69.07064	10.2
69.41346	5.5
69.41771	1.3
70.61885	0.6
71.04967	2.8
79.05486	32.7
81.03416	5.1
81.07048	79.2
83.04965	10.5
83.08138	0.9
83.08607	12.7
85.02885	3.0
85.06522	1.7
91.05470	20.7
93.06463	1.4
93.07032	19.6
93.68244	0.7
95.04957	20.7
95.08589	16.1
95.09115	0.4
97.02835	0.8
97.06516	4.5
97.10168	15.9
98.21147	2.9
99.04440	1.7
99.08095	1.6
103.05434	1.2
103.85754	0.6
105.03375	1.2
105.06302	0.7
105.07014	18.6
107.04938	7.6
107.08581	19.8
109.06506	10.8
109.10147	9.8
111.04424	12.2
111.08052	5.1
115.05428	0.8
117.07004	11.5
119.04916	4.5
119.08567	26.6
121.06487	9.7
121.10133	11.5
123.04398	0.9
123.08054	15.7
123.11684	2.0
125.05927	0.9
125.09618	12.0
128.06178	1.7
129.06996	5.7
130.07741	1.4
131.08554	15.1
133.06461	2.3
133.10103	9.4
135.08025	6.9
135.11681	7.4
137.05965	1.1
137.09561	3.4
142.07806	0.9
143.08560	5.8
145.06461	1.6
145.10114	17.7
147.04379	13.7
147.08037	11.2
147.11665	5.2
149.09605	6.0
149.13245	2.7
151.07498	2.3
153.09093	4.2
153.12744	3.5
155.08504	2.1
157.06529	0.8
157.10107	5.7
159.08028	2.3
159.11664	7.9
161.09605	5.4
161.13223	2.6
163.07492	0.8
163.11168	11.2
165.05444	1.3
165.09106	5.3
167.08504	1.1
167.10670	0.9
169.07381	0.7
169.10120	2.3
170.10889	1.0
171.10210	1.2
171.11655	4.7
173.09593	4.3
173.11887	0.7
173.13246	3.0
175.11192	3.4
175.14828	2.2
177.09177	1.1
177.12669	0.8
177.16354	1.3
181.10075	0.7
181.10844	0.7
181.12219	6.2
183.11682	1.7
185.09650	1.1
185.13202	2.9
187.11179	1.5
187.14793	4.0
189.09308	0.9
189.11185	12.5
189.12714	1.1
189.16376	3.7
191.10611	6.9
193.12260	1.5
195.11665	1.4
197.13194	1.3
199.11102	1.0
199.14821	1.6
201.16328	7.1
203.14308	1.0
203.17981	1.3
205.12164	1.5
205.15877	4.0
207.13742	0.7
209.11600	1.6
209.13336	1.1
211.14864	1.2
213.12727	1.4
213.16316	1.4
215.17863	1.1
219.17354	1.1
221.15378	2.9
223.13252	10.4
227.12715	8.0
227.17924	2.3
233.15332	1.5
235.16888	0.9
237.16505	1.4
245.19005	3.3
247.16943	4.4
249.14841	2.5
255.17445	3.4
273.15414	1.0
273.18451	35.1
291.19504	100.0
292.19592	1.2
309.20529	7.3
328.85733	0.7
389.31967	2.2
407.32999	2.4
409.30923	0.8
411.28806	0.9
435.32709	5.0
443.27829	1.1
545.35925	1.7
563.37183	2.5
581.38171	3.7
599.39197	6.3
617.36749	3.8
617.40356	3.1
637.77112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.5
53.15799	0.6
53.76781	0.6
55.01881	1.7
56.96556	0.9
57.03410	0.7
58.39523	0.5
58.79514	0.7
69.03414	1.5
69.84482	3.5
70.06584	1.6
72.08148	0.9
78.04700	0.9
79.05480	3.9
81.03412	1.0
81.07021	0.7
85.02896	3.4
91.05470	6.1
93.03390	2.3
93.07040	1.4
94.41391	0.6
95.04955	2.4
96.04552	0.6
97.02871	1.8
97.06537	1.2
98.21007	2.0
103.05456	4.9
105.07011	15.0
106.04175	5.4
107.04936	5.5
109.02888	1.1
109.06528	1.8
110.72430	0.6
115.05459	1.4
117.06991	0.9
118.04167	3.7
119.04934	2.7
121.06487	7.9
122.07272	1.6
123.04420	4.2
123.08044	2.0
124.05223	2.0
125.05981	2.6
127.03894	1.8
131.04929	1.2
131.76945	0.6
132.05698	0.7
133.06477	16.9
133.10088	2.1
134.03641	1.2
134.07294	0.6
135.04430	2.9
135.08061	4.3
136.07632	0.6
137.05978	4.7
139.03842	0.8
147.04358	1.7
148.05197	1.8
149.05972	14.5
150.06749	10.5
151.03903	0.6
151.07512	4.6
153.01787	2.1
153.09100	3.2
158.56120	0.6
161.05946	4.7
162.07542	0.6
163.03882	2.5
163.07553	3.6
165.09074	10.5
167.07024	83.1
177.05447	9.2
178.06268	0.9
179.07057	2.5
181.08540	7.6
191.07039	1.7
193.08588	56.6
195.06450	0.9
195.10165	3.7
197.11758	1.3
209.08070	53.0
211.09630	100.0
213.11073	0.7
315.13458	0.7
323.21838	0.6
363.29654	0.6
391.17578	1.0
403.17465	2.1
422.09494	0.6
619.06604	1.0
628.13513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01857	5.6
55.05504	34.3
57.03410	4.9
67.05200	3.3
67.05496	29.4
69.03420	5.8
69.07067	18.8
69.08231	2.3
69.30841	33.6
71.04984	3.9
79.05472	26.9
81.03400	10.2
81.07040	30.0
83.04961	4.2
83.08604	33.7
87.04440	6.4
91.05468	34.3
93.07034	25.5
95.04955	43.7
95.08586	19.9
97.06505	7.8
97.10140	11.2
98.21479	6.6
105.07019	31.9
107.04982	14.0
107.08580	19.6
109.06524	8.7
109.10150	9.2
111.08064	4.8
117.06992	11.4
119.08564	28.1
121.06495	7.9
121.10125	14.5
123.08012	8.2
125.09615	8.1
129.06944	3.7
131.07689	2.5
131.08521	14.1
133.06517	3.2
133.10114	21.4
135.08051	6.4
135.11659	6.6
137.09598	6.5
139.11153	3.5
145.10103	19.0
145.74174	2.7
147.07990	4.9
147.11670	9.4
149.09628	28.4
155.08586	4.9
157.10152	5.7
159.11665	8.9
161.09624	2.9
161.13194	4.3
163.11168	32.7
169.10071	4.4
171.11691	5.4
173.09624	7.4
175.11198	3.1
177.12682	4.3
189.11200	10.3
197.13089	3.6
205.12068	3.1
212.44743	2.8
223.13274	29.4
229.19588	2.9
239.17915	6.9
257.18909	13.6
273.18399	13.4
275.20023	76.2
291.19492	100.0
293.21069	73.9
500.82928	3.3
618.40729	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	618.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.01875	14.5
55.05502	47.4
57.03423	4.3
57.07063	4.6
57.60823	2.5
65.03923	3.0
67.05497	44.6
69.03422	4.4
69.07060	16.5
69.31065	17.8
69.31497	11.8
71.80302	2.4
73.77563	2.5
79.05489	45.2
81.03413	11.2
81.07042	71.7
83.04962	12.6
83.08605	35.6
87.04457	11.8
91.05470	47.8
93.07031	38.7
95.04957	34.7
95.08599	27.4
97.00884	3.3
97.06525	5.6
97.10152	19.2
105.07013	37.4
107.04910	20.4
107.08580	25.7
109.06525	13.5
109.10133	13.4
111.04397	5.6
111.08060	7.4
117.06998	22.7
119.08573	38.1
121.06493	11.9
121.10130	21.7
123.08047	9.4
123.11655	3.5
125.09618	18.7
128.06126	4.0
129.06985	7.7
130.07825	4.2
131.08580	23.3
133.06476	3.4
133.10147	20.3
135.08037	10.0
135.11685	6.9
137.09613	5.1
143.08537	7.5
145.06407	4.4
145.10097	29.9
147.08044	19.8
147.11690	13.6
147.55867	2.8
149.09634	21.8
151.11227	2.9
153.09158	3.4
155.08560	6.2
157.10080	6.9
159.11691	11.6
161.09599	13.6
161.13411	3.2
163.11153	36.6
165.09023	4.4
165.12767	6.1
169.10086	3.2
171.11739	5.2
173.09630	3.8
173.13261	3.6
175.11182	3.5
183.11623	5.2
187.11198	3.2
189.11272	14.5
189.12712	4.0
191.10614	7.4
209.11713	3.1
223.13313	9.6
227.12770	5.3
229.19534	2.8
234.54640	3.1
239.17892	5.8
245.19051	5.1
257.18994	11.7
273.18472	35.7
275.20038	84.3
290.18701	4.1
291.19498	100.0
293.21097	21.4
309.20532	3.8
565.38470	3.9
583.39453	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	618.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.6
55.01856	12.3
55.05504	37.4
57.03419	3.0
57.07067	5.4
67.05498	49.1
68.08726	3.3
69.03419	3.5
69.07056	19.4
70.96726	7.6
71.04969	5.7
79.05485	38.7
81.03400	12.8
81.07047	49.7
83.04964	10.7
83.08603	33.6
85.06515	5.7
87.04494	13.1
87.04938	2.9
91.05473	45.1
93.07023	39.9
95.04953	48.4
95.08604	23.2
97.06512	7.4
97.10155	6.9
104.45444	3.0
105.07021	46.7
105.07687	5.1
107.04926	19.9
107.08581	37.6
109.06499	7.9
109.10145	36.7
111.08055	7.3
113.65510	2.4
117.07051	12.5
119.08576	34.8
121.06461	8.9
121.10146	15.8
123.08007	5.0
123.11653	5.6
125.09596	5.0
128.06111	2.9
129.06938	5.0
130.07785	2.4
131.08543	18.1
133.06476	3.3
133.10126	47.6
135.08026	7.1
135.11694	6.3
137.09593	4.9
141.06944	3.5
143.08542	5.7
145.10089	24.0
147.08022	4.8
147.11674	10.1
149.09595	25.7
151.11194	22.3
155.08502	4.3
157.10141	4.6
159.08083	2.6
159.11661	10.4
161.13202	3.3
163.11172	28.9
165.12755	6.1
166.70477	3.3
169.12204	7.3
171.11673	5.9
173.09612	7.3
173.13246	3.3
175.11214	4.5
177.12799	3.9
179.10529	3.0
183.11652	4.5
186.02106	3.3
211.13068	3.2
215.12657	3.1
223.13216	22.6
227.12761	3.2
229.19469	4.6
239.17990	12.6
247.20534	3.6
249.14844	3.5
257.18961	14.0
259.20615	3.8
263.20047	3.1
273.18494	9.3
275.20026	100.0
276.20319	4.0
291.19626	17.0
293.21075	64.7
362.66132	2.6
472.49442	3.4
563.03693	2.9
586.70667	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	619.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
57.07064	2.4
61.92307	1.3
63.36193	1.2
63.77514	1.3
64.73145	1.3
65.03938	2.1
67.05498	10.3
69.07063	11.5
69.57658	4.9
69.58087	5.4
70.86095	1.2
71.67064	1.5
75.51329	1.2
79.05488	6.3
81.07052	20.2
83.08614	10.6
86.09721	1.3
91.05476	18.3
93.07043	13.9
95.04970	2.9
95.08595	33.9
97.10156	1.6
105.07027	19.6
107.08573	25.3
109.06532	2.6
109.10152	13.8
111.08061	2.3
117.07012	3.4
119.04932	24.7
119.08567	31.3
121.10129	27.4
123.08028	1.7
123.11688	13.0
131.08536	6.9
133.10126	23.1
135.08078	1.5
135.11676	16.7
137.13289	2.1
143.08562	2.7
144.04205	1.5
145.10127	14.3
147.04396	100.0
147.11671	19.5
149.13275	11.4
153.09079	2.2
157.10153	3.1
159.11688	10.9
160.12427	1.5
161.13246	11.9
163.11232	1.7
163.14787	5.5
165.05492	21.8
169.10051	1.7
171.11719	3.0
173.13295	6.1
175.14828	18.5
177.09238	3.1
177.16373	16.7
184.07297	2.3
185.13315	1.9
187.14821	7.0
189.16360	21.3
191.17908	6.1
197.13156	1.4
199.14809	2.1
201.16364	19.4
203.17949	32.4
205.15857	8.4
207.17500	3.8
209.07405	1.3
211.14821	1.7
213.16367	5.2
215.17906	17.8
217.19511	2.6
219.17490	1.4
227.17981	1.9
229.19313	2.0
231.17441	1.9
235.16959	4.3
241.19518	2.3
243.21085	2.5
247.16879	12.6
249.18529	4.0
255.21005	2.2
261.18475	15.7
269.22580	1.9
273.18567	2.4
275.20276	1.7
289.17694	1.3
291.19522	2.8
292.19977	2.2
301.21603	2.2
313.25345	1.4
355.26245	1.6
391.33636	7.1
394.28555	3.3
409.34573	11.8
411.32440	10.2
437.34143	44.4
455.34998	2.4
619.43683	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	619.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01863	1.3
55.05499	7.2
57.03419	0.8
57.07051	2.8
65.03919	0.8
67.05499	6.9
69.07059	8.8
69.37766	0.6
70.11533	0.6
70.17785	3.2
79.05479	6.8
81.06570	1.1
81.07045	22.0
83.04965	1.9
83.08609	7.9
85.02859	0.8
87.04463	3.6
88.04806	0.7
91.05467	13.2
93.07028	10.9
95.04980	3.2
95.08593	22.1
96.91385	0.6
97.10131	3.2
99.68045	0.6
105.07015	14.6
107.04946	1.1
107.08574	18.0
109.06496	3.0
109.10134	12.9
111.08070	1.4
115.05480	0.6
117.06991	2.6
119.04922	19.7
119.08564	24.9
121.06484	1.4
121.10117	16.3
123.08065	2.8
123.11709	7.7
125.09602	2.2
129.07033	1.2
131.05002	0.6
131.08516	6.2
133.10120	16.3
135.08075	1.3
135.11691	10.8
137.09593	1.5
137.13284	3.3
143.08597	3.1
145.10112	10.3
147.04390	100.0
147.11670	13.0
149.09592	1.3
149.13242	8.1
151.11124	0.9
151.14775	1.2
151.89873	0.6
153.09108	1.4
155.08594	0.9
157.10103	2.6
158.10814	1.1
159.11665	8.3
161.09579	1.3
161.13245	8.7
163.11188	2.2
163.14812	7.0
163.16112	0.9
165.05453	27.7
165.12680	0.9
169.10155	1.2
171.11700	2.1
173.13194	6.0
175.14806	11.3
177.16394	10.8
183.11655	1.1
185.13235	1.8
186.26703	0.7
187.14822	4.5
189.11176	2.0
189.16357	23.1
191.10658	1.0
191.17918	4.0
193.12189	1.0
199.14774	1.8
201.16367	20.2
201.18256	1.2
203.17928	26.8
205.15846	2.1
205.19554	0.8
207.17424	4.5
213.16365	5.0
215.17929	14.4
217.19438	2.8
221.15274	0.9
223.13289	0.9
225.16507	0.8
227.12654	0.9
227.17932	2.0
227.87195	0.7
229.19470	2.5
235.16869	2.5
239.17946	2.0
241.19522	2.9
243.20926	2.8
247.16913	2.8
249.18468	2.3
253.19528	2.1
255.21089	1.5
259.16962	1.6
261.18500	5.2
267.21140	1.0
269.22717	1.2
273.18396	3.8
275.19998	6.2
287.19958	1.0
291.19510	13.2
293.20840	2.0
299.20157	1.2
301.21976	0.9
309.20728	1.5
309.25528	0.8
315.23199	1.1
323.80853	0.6
365.31958	0.8
391.33569	8.6
409.34592	11.5
411.32510	8.2
419.33328	0.9
436.32523	0.9
437.34116	35.5
619.25195	1.8
619.44196	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	619.3984
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03920	0.6
53.07280	0.4
55.05502	4.8
57.07075	2.2
61.38184	0.5
65.03927	1.5
67.05498	6.7
69.07054	6.2
69.30035	1.7
69.30456	3.8
79.05493	3.9
80.05784	0.4
81.07045	12.8
82.46140	0.5
83.04891	0.4
83.08612	7.5
84.76871	0.5
85.06528	0.6
91.05463	12.9
93.07034	11.3
95.04943	1.5
95.08591	23.4
97.10139	1.6
103.05437	0.4
105.07018	12.9
107.08579	20.8
109.06499	0.9
109.09446	0.8
109.10146	10.8
111.08062	0.9
113.09579	0.6
117.07005	1.8
119.04928	22.4
119.08567	24.0
121.06464	0.8
121.10127	18.6
123.08031	0.6
123.11694	10.0
125.09585	0.6
128.06210	0.5
129.06985	1.2
131.08545	5.6
133.10118	15.5
135.08066	0.8
135.10667	0.7
135.11681	11.1
137.09576	0.8
137.13226	1.8
143.08586	3.3
145.10098	10.7
147.04390	100.0
147.11661	13.0
149.09676	0.7
149.13251	7.3
151.14857	0.9
153.09103	1.4
157.10129	2.5
158.10886	0.8
159.11676	9.6
160.12447	0.9
161.13234	9.0
163.07483	0.9
163.11159	0.6
163.14810	5.0
165.05457	29.2
165.12715	0.9
169.10114	0.9
170.10907	0.5
170.74777	0.5
171.11694	2.0
173.13226	5.5
174.14000	0.7
175.14804	9.9
177.09088	1.7
177.16365	13.1
183.11693	1.3
185.13200	2.3
187.14806	5.6
188.43829	0.5
189.16356	19.2
191.10783	0.5
191.17905	5.6
197.13266	1.2
199.14815	2.0
201.16367	13.4
203.17932	27.4
205.15823	2.9
205.19518	1.5
207.17421	3.4
211.14906	1.0
213.16402	3.9
215.17924	17.6
217.19507	2.3
219.17441	0.5
221.15382	1.1
221.18930	0.9
227.17917	1.3
228.70956	0.5
229.15848	1.0
229.19463	1.5
231.17331	0.7
231.20871	0.5
233.15359	0.9
235.16934	3.0
239.17963	0.7
241.19487	2.0
243.21077	2.2
245.18924	0.5
247.16891	8.1
249.18521	2.6
253.19502	1.7
255.21085	1.7
259.17004	0.6
261.18430	11.2
267.21066	1.8
269.22543	1.7
273.18890	0.6
275.20001	1.4
276.62302	0.4
289.21594	0.8
291.19559	0.9
295.24182	1.0
299.20013	1.3
301.21671	1.0
309.26144	0.5
313.21936	0.6
313.25217	1.1
315.23209	1.4
329.24808	1.0
335.27295	0.6
349.29016	1.0
355.26166	1.2
365.31918	1.1
381.27679	0.6
383.29306	0.5
391.33554	6.3
394.28833	1.3
409.34589	10.9
411.32574	9.0
411.37933	0.6
427.35760	0.8
437.34100	37.1
455.35046	1.3
619.44141	4.5
648.79114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3984
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
53.03926	2.7
55.05491	7.9
57.07056	2.2
67.05500	10.8
67.80170	1.9
69.07055	12.6
71.62624	3.5
71.64928	2.4
72.55121	2.0
79.05479	7.5
81.06625	3.0
81.07051	25.7
83.08606	8.3
91.05486	16.8
93.07022	17.0
95.04960	4.8
95.08595	31.7
97.06543	2.5
97.10155	2.2
105.07030	17.7
107.08583	26.3
109.06495	2.9
109.10157	16.4
119.04921	26.0
119.08562	27.8
121.06479	3.0
121.10110	18.3
123.08064	2.6
123.11704	6.3
131.08546	8.8
133.10109	18.7
135.11673	17.0
137.13257	3.6
143.08586	3.3
145.10158	12.6
147.04396	100.0
147.11658	18.2
149.13284	13.2
151.14716	2.3
157.10139	5.4
159.11668	6.4
161.13268	11.1
163.14838	5.6
165.05467	23.8
167.10643	2.2
171.11650	3.6
173.13211	7.7
174.96939	2.2
175.14769	13.2
177.16348	13.3
182.81573	2.1
184.07407	2.3
185.13179	4.1
187.14812	10.7
189.16354	24.0
191.17915	7.4
199.14836	5.1
201.16385	21.2
203.17947	34.5
207.17424	5.4
213.16338	7.7
215.17961	12.4
217.15967	2.4
217.19597	2.9
221.15486	2.7
223.69014	2.0
235.16974	2.2
241.19398	3.9
243.21124	3.4
247.16954	2.8
249.18626	2.6
253.19481	2.4
259.16977	4.7
261.18536	4.6
263.90311	2.4
275.20029	3.5
291.19531	6.1
391.33441	6.2
409.34488	17.6
411.32550	7.6
437.34109	36.7
559.22919	2.2
568.51147	2.4
619.41809	2.2
646.20728	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	619.3987
Annotation	Zamanic acid
Peak:m/z	Relative Intensity
50.56546	0.6
53.03925	0.9
55.05511	4.0
57.07058	2.0
65.03938	0.8
67.05492	4.6
69.07066	4.4
69.30228	3.4
69.30655	4.8
74.74724	0.7
79.05475	4.0
81.07043	9.8
83.08595	4.9
91.05469	11.3
93.07045	7.6
95.04951	1.4
95.08598	18.7
97.10134	1.9
98.21529	1.5
105.07020	9.2
107.08582	16.1
109.06526	1.5
109.09441	1.3
109.10148	17.0
111.08027	1.1
117.07059	1.1
119.04925	21.9
119.08558	17.1
121.10128	16.0
123.11674	4.8
125.09655	0.7
131.08591	5.1
132.09161	0.6
133.10110	21.5
135.11667	6.9
137.13243	3.0
143.08510	1.6
145.10095	9.0
147.04395	100.0
147.11661	13.0
149.13231	8.3
151.11159	0.7
151.14821	0.7
153.09042	0.9
157.10098	2.1
158.10915	0.9
159.11684	6.8
161.13242	5.8
162.36552	0.7
163.07513	1.0
163.11160	1.5
163.14818	11.3
165.05467	16.3
165.12732	1.4
169.10287	0.8
171.11688	1.6
173.13263	4.8
175.14783	5.2
177.09067	1.3
177.16353	8.1
185.13164	1.0
187.14819	7.5
189.16371	11.9
191.17934	3.0
197.13126	0.8
199.14796	1.8
201.16350	10.1
203.17947	14.6
205.15851	2.8
207.17497	4.7
213.16370	2.2
215.17999	6.7
217.19553	2.3
221.18971	2.6
227.17892	1.2
229.19493	2.1
235.16922	2.7
241.19432	1.0
247.16907	5.9
249.18468	1.1
255.20992	1.1
261.18561	4.1
274.51880	0.7
281.22461	1.0
295.24353	0.9
311.26041	1.3
313.25055	0.9
327.23221	0.8
351.30466	2.0
383.29181	0.8
391.33563	4.2
397.30920	4.4
409.34616	13.6
411.32761	1.0
427.35800	2.0
437.34125	10.3
455.35101	8.4
496.37943	1.3
601.39130	4.3
619.38715	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59106	4.9
55.01849	7.5
55.05509	30.4
56.49076	5.0
60.70018	5.6
65.10734	5.6
67.05492	37.8
69.07053	19.8
70.04165	20.8
70.04580	8.0
79.05486	50.3
81.03431	5.9
81.07054	85.8
83.04985	11.7
83.08606	19.6
91.05479	41.1
91.57537	6.5
93.07027	46.7
95.04941	21.0
95.08585	22.9
97.10152	28.2
105.07038	38.9
107.04898	6.1
107.08588	24.8
108.15488	5.1
109.06496	13.5
109.10175	9.7
111.04414	14.9
115.79100	5.2
117.07006	19.0
118.37118	5.2
119.08580	39.4
120.70537	5.3
121.06470	9.1
121.10145	17.1
123.08076	15.0
125.09596	25.7
129.06973	10.9
131.08553	15.9
133.10095	26.2
135.11662	11.2
136.06175	20.0
143.08548	10.5
145.10101	20.7
147.08046	16.1
147.11652	25.6
149.09593	10.1
153.09077	11.4
157.10077	6.5
159.11749	11.4
161.09590	5.4
161.13295	9.1
163.11183	20.7
165.09058	11.7
171.11624	8.3
181.12209	12.6
185.13126	6.4
189.11230	33.3
191.10640	6.1
191.92715	6.5
201.35063	5.3
227.12721	7.8
241.19487	9.7
243.96262	5.4
257.19040	8.6
259.20486	32.8
273.18350	29.5
275.20001	17.7
277.21475	8.5
291.19507	100.0
291.22485	9.6
295.88940	5.5
549.39264	10.0
567.40253	10.0
620.42847	6.3
621.26862	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	620.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01859	3.1
55.05503	16.2
57.07064	1.2
58.99135	1.0
61.68097	1.1
64.33875	0.9
65.03934	0.9
67.05501	20.3
67.84224	1.0
69.07059	9.7
69.68952	8.1
70.84498	0.9
71.04971	1.9
79.05481	15.0
81.03417	4.2
81.07051	23.0
83.04969	3.9
83.08611	18.0
85.10187	1.1
91.05473	15.9
93.07030	16.7
95.04961	23.4
95.08598	13.6
97.06497	3.5
97.10165	5.2
98.20753	1.0
98.98468	1.7
105.07017	18.4
107.04931	8.9
107.08583	13.1
109.06527	7.4
109.10155	7.3
111.08067	4.9
117.07003	6.7
119.08572	18.3
121.06508	4.4
121.10132	11.2
123.08049	3.6
123.11680	2.2
125.09611	3.6
129.07033	2.8
131.08566	10.8
133.10120	15.8
135.08051	4.4
135.11703	4.2
137.09660	2.4
139.11176	1.6
143.08536	2.3
145.10120	14.1
147.07980	1.7
147.11659	10.8
149.09595	16.4
149.13271	2.4
151.11191	1.7
155.08528	1.9
157.10117	2.4
159.11635	9.3
161.09569	1.2
161.13237	3.2
163.11153	18.3
165.12772	2.8
169.10080	1.6
171.11650	2.2
173.09579	3.0
173.13295	2.9
175.11174	2.2
175.17062	1.1
177.12741	2.9
183.11671	2.2
187.11188	1.9
189.11258	5.6
189.12718	1.5
193.12206	1.7
197.13226	2.8
197.35823	1.1
201.16510	1.2
205.12384	1.4
211.13263	1.7
212.13760	1.6
223.13269	22.8
229.19531	4.1
239.17984	5.3
247.20480	2.3
257.18945	12.1
265.21637	1.4
275.20035	100.0
276.20343	1.9
293.21085	79.9
403.19202	1.7
419.22012	1.5
431.18475	2.0
432.19424	1.3
445.20084	2.4
446.20764	2.2
447.22052	1.9
474.20181	1.5
475.21378	2.0
519.24066	2.8
533.25488	5.7
561.25354	8.2
585.41492	1.6
593.27789	1.7
620.47473	1.2
621.27069	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	620.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.01863	3.5
55.05509	18.4
57.03434	2.1
57.07069	2.3
65.85471	1.5
67.05503	18.8
69.03440	1.9
69.07059	12.1
70.82436	4.9
71.04996	1.6
71.48332	1.5
79.05489	19.0
81.03417	6.1
81.07053	18.8
83.04979	3.7
83.08616	20.1
85.10155	1.5
91.05476	19.9
93.07041	20.5
95.04950	13.7
95.08597	13.9
97.06536	4.4
97.10166	12.2
105.07027	22.1
107.04955	10.4
107.08588	19.0
109.06470	2.2
109.10151	8.5
111.08062	4.1
117.07015	9.3
119.08563	17.0
121.06519	3.7
121.10092	9.5
123.08089	1.8
123.11662	2.0
125.09597	7.4
129.06984	3.8
131.08488	9.0
133.10117	15.0
133.99911	1.6
135.08047	3.7
135.11708	5.0
137.09575	3.4
142.07838	1.8
143.08545	3.6
145.10117	13.7
147.08043	2.9
147.11682	8.2
149.09602	18.2
149.13217	1.7
151.11227	2.5
155.01054	2.1
157.10135	1.8
159.11673	7.6
161.13300	2.9
163.11197	19.0
165.12743	2.0
169.10120	3.0
171.11736	3.3
173.09549	3.4
175.11195	2.0
183.11639	1.8
187.11130	2.0
189.11214	9.1
189.12741	2.8
197.13347	1.6
211.13354	1.7
223.13293	10.3
232.94279	1.4
239.17957	6.7
247.20517	2.3
249.14981	1.9
257.18985	11.8
258.48914	1.6
260.02588	1.6
273.18750	1.8
275.20041	100.0
276.20569	1.7
291.19757	1.7
293.21109	41.8
330.55646	1.8
387.48834	1.6
427.28265	3.3
428.57245	1.7
431.18585	2.1
445.29428	1.7
475.21185	1.8
554.60626	1.7
561.25055	3.0
585.40637	2.0
620.44696	11.6
621.26715	13.7
621.36823	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00441	1.1
50.86621	1.0
53.03938	2.7
55.01862	7.5
55.05501	24.4
55.44258	1.0
57.03419	2.7
57.07046	1.7
65.03946	1.6
65.18197	1.0
67.05495	29.6
69.03416	2.7
69.07061	16.6
69.07413	2.0
69.23549	1.0
70.16669	5.1
71.04978	2.4
75.29974	1.0
79.05480	28.0
79.83077	1.0
81.03407	8.0
81.06568	2.0
81.07043	32.1
83.04974	5.6
83.08606	21.1
85.06535	2.2
91.05470	29.2
93.07024	30.1
95.04951	25.6
95.08589	22.0
95.09160	2.1
97.06512	5.4
97.10155	4.6
98.02776	1.1
103.05428	1.4
103.22449	1.1
105.07021	30.7
106.07375	1.2
107.04938	10.9
107.08577	20.8
109.06501	6.4
109.10137	10.0
111.08078	4.7
115.05462	1.1
117.07000	12.5
119.04918	1.4
119.08565	23.2
121.06512	5.9
121.10130	14.8
123.08039	5.1
123.11698	1.3
124.78432	1.1
125.09573	5.0
128.06207	1.2
129.06953	5.1
131.08536	14.3
133.06491	1.8
133.10106	22.3
135.08029	4.7
135.11682	8.8
137.09592	4.1
139.11154	1.3
143.08551	4.1
145.06487	1.5
145.10101	21.0
147.04384	2.0
147.08008	1.6
147.11659	10.3
149.09601	23.3
149.13260	3.3
151.11150	3.3
153.09207	1.8
155.08528	4.6
157.10130	4.2
159.08038	1.5
159.11688	10.3
161.09517	2.3
161.13249	4.1
163.11148	23.0
165.12755	3.1
169.10080	3.2
171.11670	4.6
173.09607	2.6
173.13235	3.7
175.11166	2.9
177.12732	3.6
179.14357	1.4
181.12231	1.6
183.11661	4.0
185.13202	2.0
187.11116	2.2
189.11232	4.1
191.10643	1.4
191.14229	1.5
191.70193	1.3
195.13777	2.7
197.13235	4.5
201.12727	2.2
205.12160	1.7
215.14265	1.7
223.13226	15.2
223.15152	1.6
229.19456	4.0
239.17900	8.8
247.20511	3.0
257.18970	13.8
262.39487	1.2
275.20029	100.0
276.20462	1.7
293.21066	42.5
312.29486	1.1
373.27985	1.3
533.25012	1.3
561.24890	2.8
585.41620	1.5
621.27216	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.69934	1.8
69.31631	21.9
71.96585	1.7
72.03478	1.6
77.50597	1.5
85.18449	2.0
92.78642	1.9
141.78314	2.1
223.12109	2.4
225.13885	3.2
237.13850	3.4
249.10368	2.5
289.13000	2.2
394.18497	2.0
417.16278	2.6
431.18735	7.3
445.19958	5.9
446.20819	3.9
447.21759	6.1
447.49237	2.4
457.16559	2.1
459.22006	5.5
473.19034	2.3
474.20630	3.3
475.21124	9.5
476.22159	2.5
477.22748	2.8
487.20856	8.3
515.21411	2.1
519.23688	2.3
529.22137	4.0
533.25250	5.9
547.23340	3.6
561.24921	45.5
589.24487	13.8
592.26129	5.0
593.27039	6.1
621.26978	100.0
622.27838	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
67.05429	0.2
67.40675	0.2
69.33530	1.1
69.33936	0.5
69.43865	0.2
102.52903	0.2
156.61951	0.2
212.06013	0.2
220.09888	0.2
223.12274	0.2
233.10596	0.2
258.16205	0.2
277.83951	0.2
357.11929	0.2
372.14822	0.2
373.14633	0.2
374.15402	0.3
375.16272	0.4
376.17334	0.3
387.16406	0.5
388.17020	0.7
389.17496	2.4
390.18420	0.7
391.19244	0.6
400.17297	0.2
401.17877	0.8
402.18777	1.0
403.19385	2.8
404.19986	1.8
405.20770	1.5
406.21402	0.2
414.18423	0.4
415.19339	0.5
416.15631	0.3
416.19940	0.7
417.16922	1.7
417.20880	1.7
418.16812	0.2
418.22174	0.9
419.22348	4.0
420.23218	0.8
427.19125	0.2
428.20239	0.2
429.20889	0.5
430.17422	0.5
430.22226	0.3
431.17795	2.8
431.23029	0.9
432.19165	0.7
432.23468	0.5
433.19714	1.0
441.20609	0.2
442.21606	0.2
444.15201	0.3
445.20618	3.6
446.16315	0.2
446.21051	2.8
447.21811	4.8
447.27661	0.3
448.22815	0.2
457.19815	0.2
459.18231	2.9
460.18158	0.9
461.19574	1.8
463.21170	0.2
473.18643	1.5
473.24686	0.2
474.20389	6.8
475.21240	12.3
476.21640	0.5
477.23071	0.3
478.24139	0.3
486.20319	0.4
487.21454	2.5
488.22372	0.9
489.23059	0.3
490.24139	0.2
491.24454	0.3
501.22751	2.7
502.23755	0.3
505.26224	1.7
506.23880	0.2
515.24420	0.3
518.23114	0.8
519.20520	0.7
529.22119	0.8
532.24792	0.5
533.25623	6.7
546.22614	0.7
553.92157	0.2
561.24933	31.1
562.25146	1.3
565.28760	0.3
589.24402	1.2
593.27454	0.7
621.27020	100.0
622.27393	4.0
629.74664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.13995	0.1
54.57863	0.1
56.51280	0.1
57.29265	0.1
67.92843	0.1
70.22610	0.6
70.90105	0.1
99.56548	0.1
113.44513	0.1
157.84193	0.1
157.85400	0.2
164.88614	0.1
209.10663	0.2
219.09244	0.2
221.10703	0.3
223.12373	0.2
223.33878	0.1
225.10252	0.1
233.10855	0.2
251.11761	0.2
286.13541	0.2
298.13467	0.1
300.15039	0.2
340.14511	0.2
350.12814	0.2
351.29080	0.1
372.14825	0.2
373.14706	0.3
374.15475	0.3
375.16010	0.7
376.16666	0.2
387.16373	0.6
388.16837	1.0
389.17609	2.4
390.18314	0.9
391.19116	0.5
400.17554	0.2
401.17636	0.6
402.14398	0.4
402.18912	1.3
403.19443	3.5
404.20065	1.6
405.20743	2.0
407.22220	0.2
415.19269	0.5
416.16306	0.8
416.20245	0.6
417.16068	3.0
417.21051	1.9
418.17749	0.9
418.21893	0.6
419.22412	5.6
420.23053	0.7
429.17157	0.5
430.16995	0.9
431.18130	5.7
432.19089	2.3
433.20135	2.0
441.16861	0.2
443.18686	0.5
444.19470	0.5
445.20129	4.7
446.20963	5.3
447.21802	8.0
448.22501	0.4
455.71259	0.2
457.20422	0.3
458.20996	0.4
459.17285	0.6
459.21790	1.9
460.18567	0.5
460.22937	0.5
461.19363	1.3
463.21402	0.4
471.18051	0.3
473.19495	1.1
473.23892	0.6
474.20316	4.9
475.21225	5.7
476.21686	0.4
477.22943	0.5
485.19528	0.2
487.21362	2.7
488.22086	0.5
491.19983	1.0
501.22980	1.7
502.24176	0.2
503.20572	0.3
505.25757	0.8
506.23587	0.2
518.23083	0.4
519.19220	0.7
529.22308	0.5
533.25500	12.1
534.25757	0.6
546.22089	0.3
547.22888	0.2
561.24951	18.4
562.25299	1.1
565.27496	0.3
589.24182	0.6
593.27582	3.1
621.27032	100.0
622.27393	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77121	0.2
69.41316	0.8
69.41740	1.4
80.59903	0.2
108.40704	0.2
163.91696	0.2
197.10568	0.2
209.10829	0.3
219.09232	0.2
221.10754	0.5
222.11258	0.2
223.12152	0.3
225.10143	0.2
235.12221	0.2
249.10217	0.3
251.11694	0.3
256.18985	0.2
263.11780	0.2
270.11432	0.2
272.11426	0.3
298.13251	0.2
299.09616	0.2
306.76398	0.3
308.12021	0.2
310.13287	0.3
338.12949	0.2
356.11191	0.2
370.74490	0.2
373.14520	0.6
374.15149	0.4
375.15991	0.9
377.17789	0.3
386.16290	0.3
387.15881	0.8
388.16934	1.3
389.12946	0.3
389.17581	3.7
390.18323	1.5
391.19003	0.5
400.16888	0.4
401.17914	1.5
402.13943	0.4
402.18790	1.4
403.19370	6.0
404.20093	2.8
405.20847	1.9
415.14651	0.5
415.19092	1.0
416.16153	1.5
416.20126	1.1
417.16846	3.8
417.20813	3.6
418.17148	0.8
418.22202	1.5
419.22348	9.7
420.22885	0.5
429.16833	0.9
429.21387	0.5
430.17093	1.6
430.22733	0.3
431.18073	8.4
431.23444	0.6
432.19171	2.7
433.20001	2.1
441.16638	0.4
443.18607	0.9
444.19778	0.4
445.20142	7.9
446.20959	5.2
447.21762	11.1
448.22250	0.5
457.20227	0.6
458.21097	0.4
459.17209	1.2
459.21732	2.8
460.18396	0.8
460.23456	0.5
461.19507	1.2
463.20679	0.3
473.19470	1.7
473.24091	0.9
474.20392	9.4
475.21271	14.8
475.76810	0.2
476.21695	0.7
477.23294	0.3
486.20276	0.3
487.21420	3.9
488.22110	1.3
489.23233	0.4
490.23434	0.4
491.20496	0.4
491.24762	0.3
501.22763	2.8
502.23380	0.5
503.20132	0.4
504.21320	0.3
505.26175	1.5
506.23114	0.4
517.22241	0.3
518.23242	0.6
519.23969	0.4
520.24634	0.4
529.22101	0.9
533.25488	11.2
534.25769	0.4
546.22662	1.0
557.21820	0.2
561.24908	70.7
562.25281	2.8
589.24658	1.6
593.27515	3.3
621.27008	100.0
622.27264	3.1
627.60242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05469	1.1
55.05717	0.6
56.95133	0.5
57.07026	0.7
67.05452	1.8
69.07038	0.8
69.30711	6.3
70.45893	0.5
79.05440	1.5
81.07001	1.5
83.04913	0.7
83.08585	0.8
87.04410	2.3
91.05416	1.3
93.07001	0.8
95.04935	1.1
95.08546	1.1
97.10141	0.8
107.04904	0.9
107.08594	0.7
117.07020	0.7
119.08517	1.2
121.10133	1.0
121.64968	0.5
133.10048	0.6
136.76668	0.6
142.07661	0.5
143.08511	0.9
145.10071	1.0
147.04269	0.7
147.07993	0.7
147.11633	0.9
149.09535	0.5
156.80318	0.5
273.18500	1.4
275.20078	0.6
291.19464	2.0
293.21136	0.6
295.22278	0.6
295.98923	0.6
373.14371	0.6
387.16531	0.8
388.17087	1.5
389.17331	3.0
390.18390	2.1
401.17465	1.3
402.18796	1.2
403.14957	0.7
403.19330	5.1
404.19916	2.9
405.20709	2.1
415.19437	1.0
417.15970	3.6
417.20944	2.7
418.21674	1.5
419.22324	8.0
420.23010	0.8
429.16226	0.7
429.21457	0.9
430.17371	0.9
431.18115	7.6
432.19662	2.2
433.19986	1.0
444.19644	0.9
445.20047	7.0
446.21069	5.1
447.21808	10.8
459.17871	1.6
459.22653	1.2
461.19327	0.7
473.18863	1.0
474.20425	9.3
474.26566	0.9
475.21271	16.0
476.22006	0.7
477.22397	0.7
487.21280	4.7
488.21933	1.4
501.22791	2.3
502.23523	0.8
505.25870	1.7
529.22040	0.6
531.24408	0.7
533.25537	11.4
546.22614	1.1
561.24939	70.8
562.25165	1.8
589.24512	1.2
593.27625	2.3
621.27008	100.0
622.27338	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58368	0.2
51.13206	0.1
55.05497	0.3
57.07046	0.4
67.05470	0.4
70.96447	0.2
70.96774	0.3
79.05468	0.3
81.07013	0.5
83.04993	0.2
83.08595	0.3
91.05438	0.3
93.07005	0.4
95.04926	0.2
95.08584	0.3
105.07023	0.3
106.06512	0.2
107.08528	0.2
107.41099	0.1
108.08125	0.1
119.08529	0.3
133.10046	0.2
144.07965	0.2
145.10097	0.3
147.11621	0.2
183.09262	0.2
195.09123	0.3
207.09148	0.3
209.10730	0.3
216.78564	0.1
219.08926	0.1
221.10797	0.2
221.14514	0.1
223.08565	0.2
223.12251	0.2
233.10817	0.2
235.12294	0.2
236.09396	0.2
237.10254	0.2
249.10194	0.2
251.11702	0.2
275.20029	0.5
276.20245	0.2
284.12265	0.2
291.19489	0.2
293.21075	0.4
294.21405	0.2
297.12677	0.2
298.13272	0.3
300.14941	0.2
310.13242	0.3
312.10971	0.2
313.27246	0.2
314.16354	0.2
323.14471	0.2
324.15112	0.2
338.16422	0.2
340.14407	0.2
352.14578	0.2
362.16104	0.2
371.14252	0.2
373.14395	0.4
374.15393	0.5
375.16098	0.8
377.17676	0.2
386.16324	0.2
387.16104	0.8
388.16754	1.1
389.12982	0.3
389.17584	3.4
390.18500	1.3
391.19269	0.9
392.19873	0.2
401.13132	0.2
401.17981	1.0
402.14063	0.4
402.18890	1.3
403.19382	4.7
404.20139	2.1
405.15784	0.2
405.20746	2.6
414.18521	0.3
415.14645	0.3
415.20044	0.8
416.15210	1.4
416.20193	1.0
417.17007	4.2
417.21005	3.0
418.17471	0.7
418.21454	1.2
419.22382	7.8
420.22897	0.7
429.16373	0.3
429.20908	0.6
430.17108	1.2
431.18094	7.3
432.18973	3.0
433.20074	2.9
441.16776	0.3
443.18503	0.6
444.19528	0.9
445.20016	6.4
446.20941	6.1
447.21741	9.6
448.22903	0.7
457.20197	0.4
458.21307	0.4
459.17374	1.0
459.21921	2.0
460.18616	0.8
460.23068	0.5
461.19458	1.7
463.21194	0.5
473.19339	1.1
473.23834	1.0
474.20343	5.9
475.21201	8.2
476.21680	0.6
477.22784	0.6
478.23785	0.3
487.21277	2.7
488.21909	0.8
489.22705	0.4
490.23737	0.2
491.21057	1.2
492.25061	0.3
501.22858	1.9
502.23831	0.3
503.20639	0.3
505.22208	0.5
505.26190	0.8
506.23349	0.2
517.22174	0.4
518.23065	0.6
519.19446	0.7
520.24329	0.2
529.22162	0.8
533.25452	15.9
534.25787	0.9
546.22498	0.5
561.24915	21.9
562.25256	1.0
565.27899	0.4
577.24762	0.2
589.24426	1.1
590.24408	0.2
593.27393	3.7
621.26984	100.0
622.27301	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.05824	0.2
54.65187	0.2
57.31566	0.2
60.74472	0.2
61.40727	0.2
67.05463	0.2
98.20587	0.4
102.10032	0.2
105.06963	0.2
112.57235	0.2
120.08139	0.3
125.23183	0.2
145.10164	0.2
183.09204	0.2
196.10014	0.2
211.38840	0.2
230.41109	0.2
237.13910	0.2
263.11713	0.2
298.13419	0.3
300.15225	0.2
310.13254	0.3
312.15024	0.2
320.28043	0.2
334.13306	0.2
338.16611	0.3
341.30084	0.2
374.15247	0.4
375.16095	0.7
376.17130	0.3
383.40210	0.2
384.90720	0.2
387.16248	0.8
388.16614	1.3
389.17551	2.7
390.18359	0.9
391.19119	0.8
392.20328	0.2
401.17664	0.8
402.14130	0.4
402.18954	1.4
403.15564	0.6
403.19531	4.1
404.20023	2.5
405.20670	2.7
414.16223	0.2
415.19354	0.6
416.15323	0.9
416.20444	0.7
417.16132	4.0
417.21127	2.2
418.17581	0.9
418.21570	1.2
419.22372	7.3
420.22821	0.9
429.16583	0.4
429.21454	0.4
430.16998	1.0
430.22717	0.3
431.18173	7.1
432.19104	2.7
433.20090	2.5
441.16855	0.3
443.18750	0.6
444.19614	0.7
445.20032	6.2
446.20972	6.0
447.21756	8.6
448.22421	0.7
457.20715	0.4
459.17178	0.7
459.21878	1.9
460.18707	0.7
460.23456	0.4
461.19293	1.4
463.21149	0.5
473.19250	0.9
473.23853	1.0
474.20361	5.7
475.21225	7.9
476.22076	0.2
478.23572	0.4
487.21375	3.3
488.21808	1.1
491.21097	1.1
492.25137	0.3
501.22800	1.9
502.23846	0.3
503.20859	0.3
504.21579	0.3
505.25906	0.9
506.23413	0.3
517.22595	0.2
518.23145	0.6
519.20648	0.7
529.22241	0.4
531.24554	0.2
533.25458	15.8
534.25757	0.8
546.22351	0.3
561.24933	21.6
562.25140	1.2
589.24280	0.9
593.27545	3.4
621.27002	100.0
622.27283	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	621.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01862	7.0
55.05499	19.0
57.03428	8.1
65.03927	1.9
67.05494	26.9
69.03069	1.2
69.03410	13.5
69.07063	6.5
70.26813	3.1
71.04981	5.0
77.03915	1.0
79.05479	31.9
81.03405	100.0
81.07043	33.0
83.04970	15.0
83.08607	20.1
85.02408	1.5
85.02890	22.6
85.06532	2.7
85.95625	0.7
91.05465	37.6
93.07026	19.8
95.01327	0.9
95.04953	38.2
95.08585	11.8
97.02876	15.1
97.06519	6.2
97.10165	8.7
98.21398	1.0
99.04442	4.1
99.08071	1.3
101.02347	0.9
103.03893	0.7
103.05452	1.6
105.04533	1.0
105.07017	26.6
107.04945	13.4
107.08575	13.5
107.94580	0.8
109.02106	1.3
109.02862	23.1
109.06508	7.7
109.10154	5.1
111.04408	9.4
111.08069	9.9
113.06003	1.4
115.05443	3.2
117.07009	8.5
119.04953	2.4
119.08565	23.8
121.02856	1.7
121.06489	7.6
121.10123	10.2
121.10983	1.1
123.04400	5.9
123.08023	3.6
123.11695	2.1
125.02344	3.2
125.06005	2.1
125.09622	5.5
127.03899	8.0
128.06229	3.7
129.05505	1.7
129.06989	16.2
131.04907	3.6
131.08542	17.4
133.06480	6.9
133.10112	11.3
135.04364	1.1
135.08015	4.3
135.11670	3.2
137.05994	2.7
137.09633	2.9
139.03893	1.1
141.07002	1.9
142.07784	3.6
143.08609	3.8
145.06474	5.7
145.10091	7.2
147.04399	4.5
147.08054	5.0
147.11667	18.1
149.05956	4.5
149.09563	7.3
149.13191	0.7
151.03934	0.9
151.07448	0.9
153.06886	0.9
153.09055	1.5
153.12724	2.3
155.08568	2.8
157.06477	2.6
157.10110	14.0
159.08055	2.1
159.11656	2.7
161.05957	4.2
161.09621	2.1
161.13277	1.0
163.07564	1.2
163.11143	8.2
165.05611	1.0
165.12675	4.3
167.08511	1.3
169.06459	1.2
169.10141	1.6
171.08063	2.5
171.11731	2.2
173.04463	6.6
173.05930	2.0
173.09605	1.9
173.13211	1.2
175.07484	1.2
175.11165	14.3
177.05476	0.9
177.12674	0.9
181.06470	1.3
181.10255	1.0
181.12207	2.0
185.09619	1.7
185.13298	1.4
187.07512	2.3
187.11212	1.5
189.05447	2.5
189.09193	1.7
189.11192	3.6
189.12775	2.4
191.10687	3.2
193.12219	35.4
195.11659	1.3
197.13184	1.3
199.11247	1.2
201.12685	0.8
203.14337	0.9
205.12340	1.8
207.13675	1.1
209.11595	1.2
211.11380	1.7
211.13245	44.6
213.12708	1.2
215.14357	1.0
217.12296	1.6
219.13832	1.0
223.13266	1.1
227.12563	4.7
229.14265	1.0
231.13875	0.9
233.15347	0.9
235.13293	4.3
237.12784	1.7
239.10271	0.8
243.13777	1.5
245.15460	1.1
247.13272	1.8
249.14867	2.5
255.13805	2.3
257.15573	1.2
259.13287	2.6
267.15897	15.0
271.13101	1.2
273.14856	10.3
275.00818	0.8
277.14337	2.6
283.13080	1.1
285.10144	1.6
285.17014	8.8
287.16617	0.9
289.14291	2.7
291.15942	1.5
301.14249	14.6
301.17432	1.1
303.16138	1.1
309.16891	1.6
313.16357	1.0
319.15390	7.3
337.16455	4.2
347.18448	1.2
349.21771	1.1
355.17419	4.4
357.17087	1.5
357.24448	1.0
367.22906	1.3
374.66626	0.7
375.17908	7.6
385.23599	3.6
393.19101	6.9
403.24960	1.7
409.23767	0.9
411.20096	2.9
441.26141	0.9
459.27466	8.5
477.28342	9.4
493.26553	1.0
495.29681	8.0
501.28293	2.4
511.26855	1.5
513.27527	0.8
525.28516	1.1
529.27814	1.4
543.29303	2.4
557.30792	2.1
561.29584	1.1
567.29657	3.3
573.30542	5.0
585.30505	14.7
603.31531	15.9
621.32550	76.6
622.33051	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	621.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63081	0.9
52.75003	1.1
53.03936	8.0
53.73782	1.0
55.01865	5.7
55.05503	20.4
57.03432	8.9
65.03920	2.7
67.05495	32.6
69.03069	1.5
69.03413	16.2
69.07057	9.6
70.48203	3.4
71.04987	7.9
73.02927	1.1
79.05484	31.8
81.03408	100.0
81.07048	35.4
83.04965	20.9
83.08608	22.3
83.41306	1.0
85.02894	23.3
85.06531	2.3
91.04606	1.1
91.05469	41.2
93.07030	25.8
95.04958	42.8
95.08588	14.8
97.02882	17.8
97.06496	7.2
97.10149	7.5
99.04450	5.4
99.08058	1.8
103.03915	1.7
103.05454	2.0
105.07018	29.4
107.04946	14.1
107.08582	13.7
109.02870	21.8
109.06510	7.2
109.10130	6.7
109.71077	1.0
111.04434	10.7
111.08059	9.6
113.05999	1.9
115.05424	3.7
117.06992	6.6
119.04930	3.6
119.08566	22.5
121.06474	7.8
121.10123	11.8
123.04423	6.7
123.08051	4.8
123.11706	2.2
125.02328	3.1
125.06045	1.1
125.09611	4.6
127.03899	10.9
127.07548	1.4
128.06235	3.1
129.05504	1.6
129.06979	16.9
131.04922	4.2
131.08551	17.6
133.06465	6.7
133.10104	13.7
135.04391	2.2
135.08041	3.5
135.11684	4.2
137.02344	1.4
137.05972	2.6
137.09607	2.3
137.13182	1.0
141.06993	3.4
142.07788	3.8
143.08580	4.4
145.06502	6.9
145.10089	8.3
147.04410	4.6
147.08044	6.0
147.11678	19.8
149.05963	3.6
149.09608	10.0
151.11182	1.6
153.07008	1.3
153.12755	2.3
155.08554	4.9
157.06508	3.7
157.10124	14.9
159.08060	2.4
159.11700	2.4
161.06033	3.6
161.09590	2.3
163.03986	1.3
163.11137	9.7
163.14873	1.0
165.05437	1.4
165.09091	3.4
165.12721	7.4
167.08565	2.1
168.41287	0.9
169.06566	1.0
169.10135	2.6
171.04419	1.0
171.08046	3.0
171.11717	2.9
173.04475	4.1
173.06024	3.9
173.09651	1.4
175.07518	2.2
175.11163	14.4
177.12712	1.2
181.10182	1.4
181.12263	3.1
183.11725	2.1
183.13704	0.9
185.05974	1.4
185.09685	1.2
185.13272	1.3
187.07532	2.0
187.11188	2.1
189.05501	2.4
189.11209	2.5
189.12750	2.0
191.10712	3.2
193.10399	2.1
193.12213	43.1
195.08165	1.2
195.11703	1.3
197.09569	1.3
199.07584	1.4
199.11035	2.2
201.12788	2.3
203.10693	1.8
203.14310	1.7
205.12227	3.4
209.09705	1.1
211.11377	1.5
211.13260	44.6
217.12234	2.0
219.13828	1.4
221.13286	1.3
227.12573	7.1
229.14331	1.6
231.13792	1.5
235.13307	4.2
237.12640	1.4
247.13141	1.4
249.12596	1.1
249.14697	5.1
255.13803	3.2
257.15353	1.3
259.13129	2.6
261.14832	1.5
267.15897	14.5
271.13306	1.6
273.14835	10.4
277.14368	1.6
283.12997	1.8
283.15704	2.0
285.10083	1.7
285.17087	8.6
289.14398	2.4
289.49841	1.1
291.16016	3.1
301.14233	12.9
303.15826	1.9
309.17233	1.5
319.15472	8.6
337.16699	6.4
341.20883	1.2
351.18073	1.3
355.17514	4.2
359.18427	1.3
367.22629	2.8
369.18701	1.3
375.17883	5.9
385.23929	3.5
393.18988	6.2
401.23715	1.3
403.25098	1.6
411.20071	3.8
411.71204	1.2
431.28238	1.4
441.26468	1.9
459.27301	10.2
475.25064	1.3
477.28384	8.1
495.29349	4.5
501.28558	2.3
511.26755	1.2
529.27991	1.3
535.15955	1.4
543.29224	2.0
557.31390	1.7
567.29163	2.9
573.30511	3.5
585.30414	10.8
603.31427	17.1
604.31836	1.5
621.32684	86.6
622.32941	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	621.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.0
55.01862	10.7
55.05507	31.8
55.08731	1.8
57.03420	9.3
57.06819	2.6
57.07067	37.7
62.70274	1.9
65.03922	1.9
67.05161	3.1
67.05492	42.5
69.07056	19.8
71.04987	2.1
71.08623	21.2
79.05054	2.5
79.05480	35.5
81.03386	9.2
81.07044	100.0
82.07335	2.5
83.04967	18.0
83.08603	20.7
85.02890	4.1
85.06509	3.1
85.10160	9.4
91.05460	20.7
93.07030	34.2
95.04951	18.3
95.08590	40.8
97.06511	10.1
97.10159	18.6
98.20668	4.1
98.21359	12.1
99.04427	2.5
99.08106	3.5
105.07031	18.6
107.04939	7.6
107.08562	19.6
109.06508	8.9
109.10143	16.3
111.04424	15.6
111.08050	7.1
117.06989	7.3
118.99480	1.9
119.08576	21.9
121.06457	7.9
121.10128	13.0
123.08044	25.3
123.11718	2.3
125.05967	2.9
125.09610	17.4
126.73418	2.1
129.06978	5.7
130.07700	2.5
131.08539	12.0
133.10109	8.5
135.08000	6.8
135.11655	10.8
137.09634	3.2
143.08542	5.7
145.10101	15.8
147.08051	7.1
147.11633	5.0
149.09595	7.8
149.13341	3.2
151.11142	2.6
153.09044	3.4
153.12706	7.3
157.10092	3.4
159.08025	2.8
159.11659	4.9
161.09569	3.7
163.11163	22.2
164.11563	2.2
165.09128	4.9
171.09972	2.3
171.11644	2.7
173.09628	3.7
181.12158	11.3
189.11209	26.6
191.10580	11.0
193.12175	3.2
205.12259	2.2
209.11707	3.0
213.12822	2.7
223.13297	9.6
227.12753	23.0
227.17973	2.6
239.23645	3.9
245.18964	2.8
255.17294	3.3
273.18466	27.5
275.20111	14.5
276.20416	12.3
283.15445	4.6
291.19522	82.7
293.21100	3.6
294.21326	6.2
309.20444	5.0
313.27332	60.5
347.22089	5.4
365.23154	33.2
420.23978	2.2
445.20245	3.1
447.21841	3.4
475.21375	3.7
483.36935	3.2
533.25311	4.9
561.24585	11.9
603.38623	2.3
603.46210	25.6
621.27173	38.8
621.39075	5.1
621.47491	49.2
622.27545	14.2
646.90076	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85764	13.7
80.96870	2.0
85.82203	1.9
94.20181	1.8
98.21187	6.1
157.36172	2.2
204.55057	2.3
206.39285	2.1
237.13852	3.0
256.58609	2.1
258.38663	2.0
417.17151	4.2
418.17511	3.8
419.18359	2.4
421.24081	2.4
431.18188	3.0
432.19244	2.6
433.20233	3.6
435.21909	4.3
445.15982	2.6
446.16455	2.8
447.17819	8.4
447.22482	6.3
459.17975	3.5
460.22327	2.7
461.19476	14.2
462.20386	8.6
463.21408	3.1
473.19516	2.6
474.20529	2.5
475.21021	33.0
476.22092	15.7
477.22760	15.8
488.21741	3.0
503.19907	3.1
535.23413	8.9
536.24219	2.9
547.23505	4.0
548.23621	2.2
549.25037	2.9
554.12488	2.1
562.25049	11.4
563.26434	16.7
564.26788	2.9
575.21863	2.3
590.24750	8.8
594.28076	3.6
622.27679	100.0
623.28510	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37294	1.1
55.13977	1.1
56.04076	1.3
57.69327	1.1
69.58051	1.1
71.37238	3.1
105.27947	1.0
158.42856	1.2
163.22842	1.2
170.92126	1.1
209.10844	1.4
222.11255	1.3
223.12274	2.8
225.13838	1.6
235.12325	1.6
237.10393	1.2
237.13777	1.2
249.13846	1.3
251.08212	1.5
253.09737	1.4
266.06332	1.1
290.31912	1.2
306.25516	1.1
338.12701	1.8
375.15955	2.6
389.17792	1.6
390.18555	1.4
403.14990	2.4
403.19733	2.0
404.19812	1.5
405.20572	3.2
417.17087	3.2
418.17862	3.3
419.18185	2.6
431.18860	3.4
432.19275	4.0
433.20251	4.1
443.18298	1.6
445.15991	3.3
445.21432	1.3
446.17276	4.6
447.17966	8.0
447.22360	4.8
451.94910	1.4
459.17929	2.4
460.18787	3.9
461.19382	9.1
462.20245	6.8
464.22046	1.4
473.19757	2.3
474.20621	2.5
475.21127	27.2
476.21933	13.1
477.22952	7.5
487.22025	1.4
488.21802	2.5
489.22809	3.7
503.20901	5.0
519.23718	2.7
521.21979	1.4
530.22668	1.3
533.22632	1.3
534.25745	3.3
535.23029	11.7
536.23938	3.1
547.22943	5.3
548.23224	1.8
549.24493	1.9
555.37573	1.3
562.25317	17.7
563.26550	14.5
575.22656	1.9
579.25513	1.4
590.24872	5.6
593.24365	5.5
594.28125	4.8
607.25171	6.4
622.27655	100.0
623.28625	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	623.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90392	0.5
53.03940	0.7
55.01852	1.9
55.05505	3.3
57.03420	0.8
64.13865	0.6
65.03934	0.5
67.05495	7.7
69.07061	4.8
70.13207	1.5
70.13618	1.4
76.58112	0.6
79.05467	6.4
81.03408	1.1
81.07044	9.2
83.08589	2.3
85.06519	0.9
91.05472	6.4
93.07029	5.9
95.04950	1.6
95.08595	5.4
97.06522	2.3
97.10139	1.1
98.20844	0.7
98.21357	1.1
99.70225	0.6
105.07014	6.6
107.04941	1.1
107.08585	3.7
109.06495	1.4
109.10131	1.9
117.07056	2.8
119.08550	3.4
121.10123	1.7
123.08076	0.8
123.11686	1.0
125.09613	0.7
129.06987	1.5
131.08577	4.7
133.10106	3.6
135.08020	0.8
135.11639	1.7
141.06972	1.0
143.08565	2.3
145.10150	3.0
147.11661	1.6
149.09645	0.9
151.11151	0.6
155.08519	1.3
157.10100	1.8
158.09607	0.6
159.11656	2.2
163.11143	1.3
167.08527	0.9
169.10107	1.8
171.11662	1.9
173.13225	1.6
177.12772	1.1
179.14352	0.9
181.10138	1.1
183.11679	2.4
185.13298	1.3
187.11029	0.7
187.14699	0.8
195.11661	0.7
197.13275	0.9
199.14839	0.7
201.12837	0.7
209.13295	0.7
213.16257	0.7
221.13278	0.5
222.43617	0.6
223.14853	0.8
237.16180	0.8
239.17883	0.8
249.94908	0.6
257.18924	1.9
275.20105	4.9
313.21890	0.6
347.22696	0.7
351.44775	0.6
374.16440	0.6
375.16281	0.7
376.16910	1.1
377.17474	1.3
378.18228	0.8
387.16452	0.7
389.17233	0.7
390.18738	0.7
391.19089	2.6
392.19757	1.3
393.20847	0.6
399.15936	1.0
400.17059	1.1
401.17624	2.2
403.19284	1.0
405.21024	1.1
406.21719	0.6
407.22232	2.2
413.17572	0.9
414.18399	2.2
415.19312	3.2
416.20096	0.9
417.21051	1.3
419.18463	2.2
421.20093	1.6
424.92325	0.7
427.19302	1.0
428.19974	1.3
429.20651	2.1
430.21790	1.3
431.18344	1.0
433.20557	1.5
434.21210	1.0
435.21777	1.9
441.17297	0.9
443.17908	0.8
443.22910	1.3
444.19165	2.1
445.20435	1.5
447.17648	3.8
449.23709	1.2
458.20963	1.3
459.17606	1.2
461.19458	3.3
462.20578	2.6
463.20856	1.8
469.16397	0.7
470.16589	0.8
471.22229	5.1
472.22284	1.7
473.19791	2.2
474.20349	2.5
475.21414	2.9
476.22464	0.7
484.18619	1.0
485.19482	2.0
486.20401	2.1
489.17532	1.0
489.22577	4.5
490.18909	4.1
491.20404	4.1
499.21234	11.1
500.18185	0.9
501.23196	4.8
502.19702	1.4
503.20554	5.0
507.23425	1.9
508.24451	1.0
511.20801	0.8
511.34186	0.7
513.19348	4.7
513.36682	0.8
516.21295	1.2
517.22223	13.9
518.21149	0.7
527.20514	1.9
529.22327	5.6
531.20001	3.2
535.23230	3.6
536.24243	0.8
545.21765	23.2
549.25006	0.7
549.39508	0.8
563.25256	2.4
564.23584	2.6
573.21191	7.4
577.24341	2.3
591.22278	3.4
595.25409	1.0
605.23920	35.2
605.41431	2.7
606.23914	2.3
622.15558	0.7
623.24878	100.0
623.41626	17.1
624.24969	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2816
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.72910	0.4
57.70326	0.4
71.79148	0.4
76.31695	0.5
89.54578	0.3
98.21548	0.6
103.15168	0.4
108.27221	0.4
144.08139	0.4
209.10693	0.6
221.10756	0.6
222.64320	0.4
224.13036	0.9
225.13918	0.6
235.12422	0.5
237.13800	1.2
239.15216	0.6
251.15439	0.6
272.91833	0.4
274.83755	0.4
282.86575	0.4
341.15012	0.5
342.19937	0.5
375.15863	0.5
389.17767	0.5
390.14139	0.5
391.19269	0.8
403.19330	0.7
404.15341	0.9
404.20294	0.7
405.16339	0.8
405.21051	1.0
406.21613	0.9
407.22281	0.7
418.17322	1.2
419.18463	1.5
420.23248	0.7
433.19925	1.6
435.21817	0.9
446.16733	1.1
447.17368	3.9
448.18594	3.4
448.23172	1.2
449.18927	0.8
449.23804	0.8
450.23483	0.5
459.21655	0.7
460.17886	0.5
461.18823	3.1
462.19647	3.4
463.21130	4.1
474.19617	0.5
475.21436	3.2
476.21576	11.2
477.22580	8.0
478.23474	3.3
487.25049	0.5
488.21985	0.5
489.21646	0.9
490.23080	1.4
491.24356	1.3
502.18533	0.5
504.21262	1.1
506.22647	0.4
507.20096	0.5
521.24640	0.8
531.23755	0.7
534.22534	0.7
535.22528	2.8
536.23370	5.3
537.24023	0.9
545.25238	1.3
547.26727	1.8
548.23932	2.3
549.24896	3.9
550.25616	2.4
563.26147	12.0
564.26917	7.2
576.23181	1.2
578.11652	0.5
580.27277	0.5
581.27173	0.6
591.25781	7.5
594.24249	4.8
595.28705	3.5
605.27563	3.1
606.27313	0.5
608.25641	3.2
623.28284	100.0
624.28540	1.7
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
51.61644	0.1
53.35669	0.1
55.05454	0.2
57.22774	0.2
57.79447	0.1
67.05421	0.6
69.41898	1.1
69.42315	0.4
71.52727	0.2
77.61906	0.2
79.05408	0.3
81.06963	0.8
91.05440	0.4
93.07000	0.3
95.08504	0.6
105.06943	0.4
106.71568	0.2
108.66318	0.2
109.10070	0.2
117.06934	0.3
119.08469	0.3
121.10088	0.2
133.10033	0.3
135.11591	0.2
139.81532	0.2
145.10046	0.3
157.10046	0.2
159.11574	0.3
174.47668	0.2
223.12265	0.3
235.12137	0.2
237.13582	0.2
239.15126	0.3
251.15358	0.3
311.14069	0.2
319.33960	0.2
388.17480	0.2
389.18069	0.3
390.18448	0.3
391.19031	0.5
399.15848	0.4
400.17096	0.3
401.17667	0.5
402.19247	0.3
403.19342	0.5
404.20474	0.6
405.16382	0.4
405.21033	0.4
412.17865	0.4
413.17899	0.8
414.18411	1.1
415.19385	1.8
416.20514	0.8
417.16376	0.2
417.21231	0.5
418.17487	0.4
419.17422	1.0
419.22379	0.9
420.19174	0.4
427.19235	0.7
428.20102	1.1
429.20819	6.4
430.21835	1.3
431.17651	0.9
432.19193	0.6
433.18903	0.4
433.24768	1.6
434.20844	0.7
435.21677	0.4
441.16550	0.3
442.21805	1.0
443.22446	4.4
444.23395	2.7
445.19308	0.6
445.23828	1.4
446.21179	0.3
447.22604	1.6
448.22275	0.4
449.23788	1.3
455.18491	0.4
456.19537	0.6
457.19809	1.2
457.24237	1.1
458.25058	2.9
459.21667	4.2
460.22827	2.1
461.19003	1.1
461.23373	2.1
462.20276	2.1
462.25385	0.2
463.21259	0.6
470.20935	0.8
471.21558	1.5
472.22675	3.9
473.23724	2.9
474.20599	0.7
475.20831	1.3
476.21741	1.8
477.22806	2.9
485.23352	5.8
486.24396	1.5
487.25140	3.3
488.21762	0.8
489.22729	1.3
490.23538	0.2
501.23462	0.2
502.23834	0.4
503.24490	2.9
504.25098	0.4
505.21082	0.2
506.22705	0.2
507.24588	0.2
513.22791	0.5
516.20953	0.3
517.26160	4.3
518.23297	0.2
519.24207	1.1
520.24548	1.0
521.22162	0.7
530.23181	0.2
531.23950	5.3
531.36420	0.2
532.24365	0.4
535.25677	0.7
536.23914	0.2
545.25433	50.7
546.25769	1.7
548.23834	0.7
549.24988	0.3
562.25171	0.2
563.26343	12.6
564.27173	0.3
573.24744	0.5
577.28040	0.6
591.25922	0.5
595.29358	0.4
605.27539	4.6
623.28540	100.0
624.28784	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
69.07063	0.7
70.16306	1.9
81.07051	1.4
84.10406	0.7
88.29458	0.7
91.05544	0.7
93.07040	0.6
95.04915	0.8
95.08620	0.7
98.20783	0.7
107.08591	0.6
121.10284	0.6
191.58350	0.6
239.70726	0.6
275.20074	1.0
293.21106	0.9
313.27316	1.5
361.49069	0.6
376.98145	0.6
391.19446	0.7
400.17130	0.9
401.17917	0.8
403.19446	0.8
404.20490	0.7
414.18631	1.0
415.19446	2.0
416.19733	0.9
417.21149	0.8
419.18301	0.9
427.19281	0.9
428.20273	1.1
429.20856	7.4
430.21613	2.0
431.18527	1.0
432.19327	0.8
433.24252	1.2
434.20953	1.0
443.22586	5.0
444.23724	3.6
445.23953	2.2
447.17319	0.9
447.22397	1.5
449.23337	2.5
457.24481	1.1
458.24673	2.5
459.21512	4.5
460.22653	2.6
461.19235	2.4
461.23877	2.5
462.20648	2.1
471.21658	1.3
472.22745	4.0
473.23233	2.7
474.20416	1.5
475.21353	1.3
476.22147	2.0
477.22723	5.1
485.23288	5.0
486.24060	1.2
487.25192	5.3
489.23016	1.1
503.24356	4.2
517.26099	3.0
518.22986	0.7
519.23779	1.1
520.24524	0.9
531.23962	7.5
532.24603	0.7
545.25427	52.2
546.26074	1.5
548.23657	0.7
563.26471	25.3
564.26654	1.2
577.28491	1.0
591.26056	1.9
605.27582	19.9
623.28583	100.0
624.28839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42955	0.4
71.63756	0.7
71.64112	0.3
77.40874	0.4
99.96906	0.4
117.04374	0.3
125.61944	0.3
138.13739	0.4
188.32535	0.4
376.16791	0.6
388.17914	0.4
389.17862	0.7
390.18588	0.9
391.19098	1.0
392.20221	0.5
400.17010	0.5
401.17432	0.5
404.16223	0.6
404.21063	0.5
405.20795	3.8
414.18579	0.7
415.19095	1.5
416.19751	0.6
417.21201	0.7
418.17651	0.8
419.17740	2.0
419.23224	0.7
420.23511	1.8
421.24438	0.6
429.20944	2.8
430.21674	0.6
433.19797	4.2
435.22073	1.0
443.22400	1.5
444.23102	1.5
445.24780	0.6
446.17502	1.0
447.17825	8.6
448.22897	2.7
449.23624	2.6
452.21790	0.4
457.24777	0.4
458.24750	0.9
459.20987	2.9
460.22540	1.5
461.19351	9.9
462.20264	0.7
463.21118	1.1
471.21860	0.7
472.22687	1.3
473.23370	1.7
474.24405	0.5
475.21033	1.9
476.22021	21.5
477.22757	3.5
479.20862	1.6
485.23499	3.1
486.24359	0.6
487.25299	2.0
489.18536	0.8
503.24823	2.1
508.24680	0.7
515.24878	1.0
517.25751	1.1
519.24066	1.6
521.23016	0.5
531.23859	3.9
535.24799	0.5
545.25452	12.0
546.26257	1.0
547.27435	1.0
549.24902	1.2
559.23584	0.7
563.26447	7.9
577.28418	0.6
591.26385	3.6
605.27686	2.7
623.28564	100.0
624.28949	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32674	10.0
83.94823	0.8
98.20642	1.4
107.66699	0.8
116.46233	0.8
237.13901	1.3
308.03140	0.9
360.20972	1.0
391.19077	1.4
405.20905	1.3
406.21457	1.4
407.22394	4.6
418.17563	1.1
419.23126	1.0
421.23969	3.4
432.19894	1.1
433.20029	1.4
434.21011	1.2
435.21826	5.6
446.16879	1.8
447.18225	3.8
448.17853	1.9
448.23157	1.9
449.23895	4.1
461.19705	4.1
462.20380	5.6
463.21100	9.9
475.21216	2.9
476.21335	8.1
477.22760	13.4
478.23553	3.6
489.22604	1.2
491.24100	1.3
531.23413	1.1
535.22992	5.4
536.24109	2.5
545.25452	1.3
547.26898	1.3
549.24963	5.3
550.25427	1.3
563.26324	14.4
564.27155	13.3
591.25836	8.1
594.24493	2.0
595.28510	1.8
608.26117	1.9
623.28412	100.0
624.28601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.3
69.07061	0.2
70.29979	0.6
70.30313	0.1
79.05492	0.3
81.07021	0.4
84.81019	0.1
85.48464	0.1
88.12227	0.1
89.45353	0.1
91.05477	0.3
93.07063	0.2
95.08604	0.3
98.21606	0.1
105.07040	0.3
107.08614	0.2
197.10793	0.2
209.10748	0.3
221.10739	0.2
223.12434	0.2
224.13014	0.2
225.13861	0.2
235.12329	0.2
275.20035	0.2
276.20493	0.2
277.21274	0.1
284.11829	0.1
374.15918	0.2
376.17087	0.2
377.17731	0.4
378.18613	0.2
387.16327	0.3
388.16782	0.3
389.17557	1.0
390.18719	0.5
391.19293	1.2
392.19943	0.4
393.20609	0.3
400.16904	0.3
401.17871	0.8
402.18527	0.5
403.15308	0.2
403.19327	1.6
404.20361	0.8
405.21057	1.9
406.21515	0.4
407.22418	1.2
414.18567	0.4
415.14462	0.2
415.19693	1.0
416.20410	0.8
417.16858	1.1
417.21732	1.8
418.16940	0.9
418.22278	0.3
419.22751	3.3
420.18378	0.2
420.23508	0.8
421.23978	0.3
428.15979	0.2
429.16675	0.5
429.20871	1.0
430.16937	1.2
430.22684	0.4
431.17911	2.7
431.23062	0.6
432.19409	1.0
432.23672	0.5
433.20096	6.1
434.21140	0.6
435.21631	0.7
443.17767	1.3
444.18829	2.1
445.19757	4.6
446.21286	2.4
447.21954	4.3
448.22855	0.9
449.23206	0.5
457.19736	0.8
458.20850	6.1
459.21652	5.1
460.22998	3.4
461.18716	1.1
462.20505	0.5
463.21100	1.9
465.23032	0.3
471.21887	0.5
472.22687	0.5
473.23737	1.3
475.21045	1.3
476.21970	1.3
477.23001	1.7
478.23782	0.2
479.24384	0.3
485.23730	0.7
486.24377	0.4
487.24612	0.4
488.21555	0.2
489.19061	0.4
489.23700	0.2
490.23376	0.5
491.24487	0.6
492.25037	0.2
501.22879	0.3
502.23941	0.2
503.20718	0.5
503.24515	0.5
504.25238	0.5
505.21332	0.9
507.20309	0.2
507.27728	0.4
513.22876	0.3
516.21844	0.2
517.22742	0.9
518.22955	3.9
519.23987	0.6
521.21503	1.1
530.23053	0.4
531.23779	0.8
532.24664	0.6
533.25433	7.4
534.25916	0.4
535.27594	1.5
545.25421	3.5
546.26117	1.1
548.24225	0.2
549.24878	0.3
563.26434	7.4
564.26624	0.3
565.27148	0.2
573.25183	0.8
576.24042	0.2
577.27844	0.6
590.25153	0.3
591.25946	0.6
593.27856	0.3
594.24792	0.3
605.27509	11.6
606.28046	0.2
623.28546	100.0
624.28833	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71138	0.2
71.37164	0.5
171.76176	0.2
185.10736	0.3
209.10701	0.6
222.11298	0.3
223.12233	0.4
224.13054	0.3
237.13747	0.6
239.15366	0.4
242.10289	0.3
251.15186	0.3
255.07605	0.3
262.85373	0.2
363.15735	0.3
374.16550	0.3
375.16815	0.4
376.17230	0.3
377.17590	1.0
378.18237	0.8
387.16272	0.5
388.17889	0.8
389.18130	1.1
390.18369	1.1
391.19077	2.6
392.19809	2.4
393.20819	1.6
394.20825	0.3
399.15985	0.7
400.16684	1.4
401.17682	1.3
402.18738	0.4
403.19583	1.0
404.20624	1.3
405.16602	0.4
405.20813	3.6
406.21396	3.8
407.22244	10.9
408.22620	0.6
413.17645	0.9
414.18372	2.1
415.14252	0.4
415.19186	4.1
416.19891	0.9
417.20801	0.5
418.21848	0.4
419.18045	0.8
419.22299	1.4
420.22971	1.7
421.23782	10.9
422.24539	2.9
426.19199	0.4
427.19223	2.0
428.20038	2.5
429.20795	10.3
430.21759	2.5
431.17737	0.5
431.22333	1.0
432.19037	0.3
433.19781	1.0
433.24014	1.5
434.25165	0.5
435.25845	0.4
441.21408	0.6
442.21893	1.3
443.22510	6.2
444.23346	4.7
445.19397	1.6
446.21033	0.5
447.17984	1.1
448.26340	0.4
449.23328	1.0
450.28204	0.3
452.21893	0.6
455.18533	0.6
456.19437	1.3
457.23740	3.4
458.24969	6.6
459.21658	8.0
460.22757	2.5
461.18866	4.4
462.20151	1.7
463.20825	1.3
465.23236	0.3
469.23764	0.4
470.21063	1.6
471.22873	1.5
472.22614	6.8
473.24112	2.8
474.20490	0.8
475.20920	5.5
476.21643	5.4
477.22577	3.2
478.23471	0.9
483.18079	0.6
484.18912	0.8
485.23441	15.2
486.20200	2.6
486.24106	3.2
487.20630	0.8
487.24915	1.1
488.21954	2.1
489.22574	2.7
490.23431	0.7
491.24564	0.5
493.25809	1.0
497.23456	0.6
498.20404	0.5
499.21164	4.8
500.21802	2.7
501.22818	0.8
502.23773	1.1
503.24423	8.4
504.21078	0.7
504.24435	0.8
507.24060	1.0
508.28287	0.9
513.22858	4.5
514.23315	2.3
515.24316	1.0
517.26123	9.0
519.23810	0.6
521.25043	0.9
529.25867	2.6
530.23303	0.6
531.23737	1.4
535.27124	5.6
536.27515	0.5
545.25391	83.4
546.25751	4.8
547.27081	0.5
559.23004	0.4
562.25616	0.9
563.26135	0.9
564.27148	2.1
573.24890	20.8
574.25262	1.2
577.27252	0.4
591.25891	1.5
605.27484	85.6
606.27808	4.5
623.28528	100.0
624.28900	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37231	0.3
87.28889	0.1
91.58401	0.1
94.81190	0.1
223.12354	0.3
224.13071	0.2
235.12268	0.2
237.13884	0.3
251.15414	0.2
296.56274	0.2
375.16797	0.2
376.17203	0.2
377.17584	0.6
378.18793	0.2
387.16852	0.2
389.18301	0.5
390.18542	0.4
391.19080	1.3
392.19974	1.0
393.20685	0.7
399.15958	0.2
400.17624	0.2
401.17682	0.6
402.19321	0.3
403.19705	0.2
404.20352	0.6
405.21097	1.4
406.21536	1.8
407.22281	4.8
408.22662	0.2
413.17764	0.3
414.18512	0.7
415.19385	1.1
416.19925	0.2
417.16266	0.2
417.21225	0.4
418.21802	0.2
419.18051	0.4
419.23029	1.0
420.23007	1.1
421.23865	4.9
422.24680	1.2
427.19455	0.3
428.20065	0.7
429.20911	2.2
430.21762	0.7
431.18671	0.5
432.19006	0.2
433.19598	0.7
433.24280	0.6
434.24927	0.3
435.25894	0.3
442.21490	0.4
443.22537	1.5
444.23694	0.7
445.20093	0.7
446.20691	0.3
447.18124	1.0
448.18451	0.2
449.23489	0.7
452.22498	0.2
455.18799	0.3
457.24753	1.0
458.24979	1.0
459.21982	1.8
460.23053	0.9
461.18790	1.9
462.20239	0.9
463.21454	0.5
470.21088	0.5
471.17557	0.2
471.22525	0.4
472.22693	1.2
473.18488	0.2
473.23996	0.4
474.20248	0.5
475.21130	3.3
476.21619	2.2
477.22488	1.8
478.23236	0.3
483.18201	0.2
484.18607	0.3
485.23557	3.0
486.19275	0.8
486.25082	0.2
487.20670	0.2
487.25818	0.2
488.22205	0.7
489.22971	1.4
490.19955	0.2
493.25778	0.5
499.21176	3.2
500.21991	0.8
501.22449	0.2
502.23700	0.4
503.24573	4.4
504.14703	0.2
504.21536	0.6
504.26312	0.2
505.22351	0.5
507.24344	0.7
508.28363	0.5
513.22858	0.9
514.23450	0.4
515.24292	0.6
517.25653	1.2
519.23975	0.2
521.25330	0.5
529.26013	0.4
531.23743	0.6
535.27039	3.7
536.27014	0.3
545.25427	16.9
546.25586	0.7
547.26965	0.2
549.24872	0.2
559.23639	0.3
562.26019	0.2
563.26312	1.1
564.26971	1.6
573.24921	5.1
577.27966	1.0
591.25879	1.7
605.27515	14.9
606.28052	0.6
623.28552	100.0
624.28784	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.71387	0.2
55.01862	0.7
55.05507	1.5
57.03411	0.3
67.05495	2.4
69.03427	0.2
69.07047	1.2
70.35388	0.9
79.05479	1.7
81.03398	0.3
81.07049	2.5
81.10016	0.2
83.04983	0.2
83.08601	0.7
85.06529	0.2
86.36214	0.2
91.05463	2.1
93.07031	2.1
95.01316	0.2
95.04959	0.7
95.08584	1.7
97.06515	1.0
97.10153	0.7
105.07031	1.8
107.04964	0.4
107.08597	0.9
109.10162	0.7
111.08015	0.3
117.07026	0.7
119.08559	1.7
121.10097	0.5
125.09627	0.8
129.06996	0.6
131.08557	1.1
133.10100	1.2
135.11711	0.4
141.06992	0.4
142.07808	0.2
143.08557	0.7
145.10100	1.0
147.11697	0.5
149.09604	0.2
155.08585	0.6
157.10062	0.4
159.11687	0.9
161.13309	0.3
163.11159	0.2
167.08656	0.2
169.10159	0.6
171.11664	0.7
179.14207	0.2
181.10179	0.5
183.11664	0.6
185.13234	0.3
185.56978	0.2
189.11198	0.3
195.11714	0.5
197.13327	0.5
209.13297	0.3
220.10004	0.3
221.10776	0.3
235.14912	0.2
237.16443	0.3
257.19107	0.4
275.20050	2.4
286.13339	0.2
291.19455	0.3
312.14774	0.2
314.13049	0.3
375.15955	0.2
379.30060	0.4
387.16235	0.3
388.16879	0.2
389.17670	1.5
390.18182	0.4
391.19238	0.6
401.17728	0.5
402.18567	0.8
403.14813	0.2
403.19501	1.6
404.20117	0.8
405.20862	1.2
415.19647	1.2
416.20300	1.1
417.16849	1.2
417.21710	1.9
418.16986	0.3
418.21530	0.6
419.22507	4.2
420.23218	0.4
428.16235	0.5
429.17059	0.7
429.21533	0.6
430.17834	0.8
430.22372	0.3
431.18552	2.5
431.22702	2.0
432.18976	1.4
433.20251	1.9
435.21841	0.7
442.17865	0.6
443.18512	2.7
444.19431	1.1
445.20035	7.8
446.20999	4.3
447.22086	4.3
448.18311	0.4
449.23740	1.7
450.24347	0.5
457.20270	1.1
458.21039	0.7
459.21796	2.9
460.22607	0.6
461.19223	1.1
462.20441	1.0
463.20898	1.7
471.21826	0.2
473.23404	0.8
474.24408	0.3
475.20929	1.7
476.21997	5.0
477.22845	5.8
478.23666	0.2
489.22852	1.9
490.23483	0.6
491.20029	0.5
491.25146	0.4
493.22369	0.3
501.23029	0.5
503.24380	0.6
505.22684	0.7
505.25839	0.7
508.24597	0.4
517.22192	0.3
518.22504	0.3
519.24438	0.4
521.21545	1.4
522.26208	0.4
525.35822	0.9
531.24103	0.5
531.38843	0.2
532.24347	0.3
533.25458	14.7
534.25446	0.3
535.22656	0.5
545.25397	0.9
548.24164	0.3
549.38623	0.3
560.24365	0.3
561.24695	0.5
563.26477	16.3
564.27277	0.5
577.24457	0.3
591.25439	0.6
592.26868	0.4
593.27600	3.7
595.28790	0.4
605.27386	1.3
605.42090	0.9
623.28577	100.0
623.42841	4.6
624.28998	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91576	0.3
67.05497	0.6
68.23690	0.2
69.07083	0.4
70.80886	0.4
70.81245	0.6
79.05497	0.8
81.07058	1.0
89.35284	0.3
90.79400	0.3
91.05465	0.7
92.77193	0.3
93.07047	0.7
101.40689	0.3
105.07030	0.7
106.06591	0.4
107.08607	0.4
109.06554	0.3
109.10199	0.3
117.07023	0.4
119.08568	0.4
120.08079	0.3
133.10155	0.4
137.39563	0.3
145.10207	0.3
209.10886	0.3
211.12349	0.5
221.10666	0.5
237.10289	0.5
247.73898	0.3
251.11807	0.3
275.20166	0.6
310.74808	0.3
314.91827	0.3
315.19547	0.3
331.18698	0.6
375.16119	0.5
376.17258	0.7
377.17731	0.5
389.17624	0.7
390.18494	0.8
391.19296	1.4
392.20038	0.7
401.17868	0.6
402.18750	0.4
403.19608	1.3
404.20056	1.0
405.21078	2.6
406.21701	0.8
407.22440	0.6
415.19482	0.4
416.20151	0.4
417.16913	0.9
417.21323	0.9
418.17844	0.9
419.18613	2.6
419.22748	1.9
420.19229	0.7
421.24179	2.0
425.80225	0.3
429.16959	0.7
430.17932	0.4
431.18585	1.5
431.22748	1.4
432.19064	1.7
433.19882	3.7
434.21246	1.5
435.21997	1.4
443.18927	1.1
444.19769	0.8
445.20282	2.0
446.21170	1.5
447.22543	3.4
448.23059	1.7
449.23395	5.1
457.19971	0.4
458.21182	1.2
459.22037	1.9
460.22678	0.6
461.19931	2.1
462.20670	1.1
463.21301	1.7
475.20410	1.4
476.21829	5.3
477.22711	4.8
489.23343	2.1
493.22491	0.6
503.24484	1.2
504.25299	0.4
519.23956	2.0
520.25446	0.4
521.22089	0.6
533.25549	3.7
535.27338	3.4
545.25769	1.1
548.24683	0.5
563.26471	20.3
564.27100	0.5
591.26117	1.0
593.27570	1.0
595.29388	0.8
605.27393	2.6
623.28748	100.0
623.39233	16.0
624.28925	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
59.33878	0.2
64.02328	0.2
67.05502	1.2
69.07076	0.4
69.42809	1.5
69.43223	0.4
76.74707	0.2
77.36961	0.2
79.05492	1.1
81.07041	1.1
83.04965	0.4
91.05483	0.8
93.07030	0.6
95.04937	0.3
95.08614	0.8
95.97681	0.2
97.06502	0.3
105.07030	0.9
107.08598	0.4
109.06508	0.2
109.97498	0.2
111.81870	0.3
117.06995	0.5
119.08610	0.6
121.10142	0.2
131.08563	0.4
133.10115	0.4
135.07977	0.2
143.08533	0.4
145.06442	0.4
145.10208	0.3
147.11691	0.4
149.09613	0.2
155.08569	0.3
159.11780	0.3
183.11874	0.2
196.71461	0.2
209.10855	0.4
221.10849	0.3
223.12529	0.3
271.16968	0.4
289.18088	0.3
333.12286	0.2
375.16113	0.5
387.16125	0.4
388.17130	0.5
389.17590	4.0
390.18216	1.6
391.19104	3.4
392.19626	0.3
393.20642	0.4
401.17853	0.5
402.18518	0.6
403.15521	0.2
403.19363	2.9
404.20053	1.6
405.20752	9.1
406.21591	1.2
414.85410	0.2
415.19522	0.4
416.19925	0.9
417.16534	7.2
418.17413	3.0
419.18481	3.9
429.21237	0.3
431.18259	7.3
432.19290	8.2
433.20129	8.6
434.21539	0.4
435.21912	0.3
443.18719	0.6
444.19583	0.6
445.20428	3.1
446.20889	0.8
447.17538	0.3
448.23242	0.2
449.24133	1.1
457.20279	0.3
459.21942	1.9
460.22839	0.4
461.19330	2.4
462.20322	1.5
463.21066	2.1
464.22101	0.6
465.23044	0.2
475.21078	1.6
476.22018	4.1
477.23578	4.2
478.23651	0.7
487.21262	0.5
489.23038	1.7
490.23395	0.3
491.25195	1.6
503.24246	0.7
504.21371	0.4
505.22391	0.8
519.23889	24.0
520.24377	0.6
521.21429	1.5
535.26746	0.8
545.25629	0.4
547.23309	0.8
548.23828	0.4
551.26843	0.5
563.26477	16.1
564.26978	0.4
579.26038	5.7
580.26160	0.3
591.25543	0.4
595.28107	0.3
605.27423	0.4
623.28595	100.0
624.28870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05513	1.8
59.56318	0.3
67.05496	2.6
69.07062	1.6
79.05477	2.9
81.03395	1.1
81.07037	3.8
83.04971	0.8
83.08604	1.1
91.05472	2.9
92.09472	0.3
93.07032	2.3
95.04974	1.0
95.08595	1.7
97.06567	0.6
97.10201	0.7
98.20822	1.8
98.21507	0.9
98.37766	0.4
105.07000	2.6
107.08575	1.4
109.10163	1.2
117.07013	1.3
119.08574	1.8
121.10138	1.0
129.07028	0.9
131.08551	1.7
133.10143	1.6
135.11635	0.4
143.08565	0.6
145.06456	0.5
145.10149	0.9
147.11705	1.1
149.09657	0.5
149.13130	0.4
155.08521	0.4
157.10153	0.6
159.11656	0.5
161.13290	0.6
168.07352	0.4
169.10239	0.4
171.11708	0.7
173.13228	0.5
195.11754	0.5
197.10814	0.4
197.13342	0.6
209.13139	0.4
223.12357	0.8
224.13033	0.5
257.18912	0.4
271.17017	0.7
275.20001	2.0
293.20935	0.5
298.22873	0.4
306.57684	0.4
389.17447	0.4
401.17755	0.7
402.18527	0.7
403.19449	2.0
404.19980	0.8
405.20874	0.8
415.19540	0.9
416.20239	0.9
417.16373	0.8
417.21616	1.9
418.21729	1.0
419.22406	1.6
429.21582	0.5
430.18054	1.5
431.18170	3.3
432.19412	1.4
433.20303	1.1
435.21848	1.0
443.18658	1.2
444.19470	1.4
445.19986	5.5
446.21060	2.6
447.21878	1.7
449.23325	3.1
457.20450	0.7
458.21194	0.7
459.21805	1.7
461.18817	2.3
462.20642	1.6
463.21310	2.2
475.21292	1.6
476.21909	6.6
477.22769	8.2
489.22879	2.3
491.22388	0.5
503.24600	1.4
507.23657	0.5
517.22577	0.5
521.22064	1.2
533.25464	4.6
535.26697	1.5
545.25500	1.1
548.24200	0.9
563.26453	32.9
564.26831	1.5
591.25885	1.8
592.26880	0.5
593.27435	0.8
595.29205	0.6
605.41675	1.6
623.28558	100.0
623.43579	5.0
624.28723	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	623.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03941	9.0
55.01860	5.4
55.05254	2.1
55.05503	27.6
57.03427	13.0
57.07066	1.8
61.02918	2.7
65.03931	3.9
67.05496	56.1
69.03420	20.6
69.07055	17.4
71.04983	8.9
71.61526	1.8
73.02899	2.1
79.05120	1.1
79.05480	48.9
81.03406	100.0
81.07045	70.6
83.04970	26.9
83.08607	22.9
85.02892	24.9
85.06532	4.2
91.03946	1.2
91.05470	47.0
92.05795	1.3
93.07031	48.5
95.04955	29.7
95.08593	24.9
97.02879	18.4
97.04366	1.2
97.06520	11.4
97.10152	7.9
99.04441	6.8
99.08102	2.4
101.02409	1.4
103.05460	1.2
105.07013	34.7
107.04932	10.7
107.08572	26.2
109.02862	15.3
109.06505	8.9
109.10130	7.0
111.04436	14.7
111.08053	9.5
112.09583	1.0
113.06011	1.3
115.05434	3.0
116.06297	1.0
117.07004	13.0
119.04955	2.4
119.08560	24.2
121.06511	6.9
121.10130	15.4
122.10453	1.3
123.04423	3.6
123.08057	3.7
123.11699	4.1
125.05957	1.7
125.09655	4.8
127.03894	12.7
127.07587	1.4
128.06175	2.3
129.05466	2.8
129.07002	11.5
131.04958	2.4
131.08556	20.5
133.06526	7.3
133.10091	18.2
135.04439	1.5
135.08061	5.0
135.11652	8.7
137.05971	3.6
137.09593	2.2
139.03889	2.0
141.06953	2.5
142.07777	2.8
143.08568	5.5
145.06493	4.5
145.10085	6.7
147.04382	1.8
147.08046	4.3
147.11667	16.7
149.05951	1.5
149.09612	5.6
149.13255	11.1
151.11136	2.7
153.12743	3.0
155.08563	3.1
157.06528	2.4
157.10124	12.3
159.08060	3.4
159.11652	7.3
161.05992	2.4
161.09663	1.4
163.11205	4.1
165.12775	6.1
169.10109	2.7
171.08084	1.4
171.11688	2.7
173.04510	2.3
173.05948	1.6
173.09622	2.8
173.13228	1.4
175.11136	11.4
177.12752	4.9
181.10175	1.7
181.12248	4.0
183.11690	1.5
185.09587	2.0
185.13286	2.7
189.11217	2.0
189.12708	1.3
191.10675	2.5
193.12212	30.8
195.08218	1.1
195.12045	1.6
195.13779	9.5
199.11249	1.3
209.13353	1.5
211.13234	52.3
213.13004	1.2
213.14897	3.7
217.12175	1.3
219.13824	1.3
227.12682	6.5
229.14305	1.2
231.13779	1.8
233.15387	1.7
249.14761	2.0
267.15869	10.1
269.17422	13.5
273.14969	2.0
275.16458	1.2
277.14392	1.6
283.15359	2.0
285.17065	8.2
301.14322	2.4
303.15964	3.8
309.17026	2.9
319.15656	1.8
321.17068	2.3
337.16409	3.1
339.17917	8.3
351.18051	2.0
351.23035	2.2
355.17548	3.7
369.24295	4.6
371.20566	2.0
375.17935	2.5
387.25436	1.8
393.19052	2.2
395.20676	8.8
411.20264	4.4
413.21799	2.9
417.26462	1.3
435.27286	1.1
443.27853	9.4
461.28934	32.5
479.30051	16.3
485.28915	1.6
495.28830	1.8
503.29990	3.8
527.29761	1.2
545.30957	2.1
551.29791	1.6
569.30969	4.3
587.32538	5.8
605.33087	11.7
623.34161	97.9
624.34387	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01851	4.2
55.05505	15.5
56.96568	1.2
57.03421	6.5
57.07059	1.2
61.02918	16.4
65.03914	2.6
65.34496	0.9
67.05498	31.1
69.03415	6.0
69.07057	11.0
70.15158	5.0
71.04976	2.9
73.02895	3.9
79.05481	25.8
81.03407	13.3
81.06574	2.1
81.07043	34.7
83.04986	4.4
83.08606	10.4
85.02897	15.9
85.06516	2.9
87.04476	1.4
91.03946	8.1
91.05466	35.2
93.06460	1.5
93.07032	25.9
95.04964	9.1
95.08590	19.2
97.02875	10.7
97.06544	4.8
97.10133	3.8
98.21439	1.2
99.04458	1.7
99.08057	1.8
101.02376	1.3
102.65883	0.8
103.05433	2.1
105.07012	25.3
107.04936	6.2
107.08576	12.8
109.02856	2.5
109.06522	5.5
109.10146	8.6
111.04410	1.6
111.08067	3.9
115.05430	3.3
117.06996	24.0
118.42349	0.9
119.04922	1.8
119.08560	15.6
121.06483	4.2
121.10125	10.0
123.04365	1.4
123.08030	3.0
123.11687	1.5
125.09595	2.4
127.03892	2.6
127.07357	0.9
128.06197	3.2
129.06982	24.3
130.07750	1.1
131.04900	1.9
131.08556	29.4
133.06445	5.2
133.10103	10.3
135.08046	4.3
135.11650	3.7
137.05936	2.3
137.09599	2.6
139.03867	1.2
141.06969	10.1
142.07761	2.6
143.08551	20.2
144.09286	1.3
145.04909	1.5
145.06502	5.1
145.10115	12.6
147.08044	5.9
147.11674	6.6
149.09604	6.3
149.13182	2.8
151.11116	1.7
153.07001	2.4
154.07628	1.1
155.07362	1.5
155.08534	16.5
157.06494	2.7
157.10100	12.9
159.08022	4.6
159.11641	8.5
161.09612	2.4
161.13231	1.9
163.11145	2.8
165.06995	1.8
165.09152	1.4
165.12712	1.3
167.08525	8.4
168.09285	1.0
169.10095	11.9
171.08011	2.6
171.11684	6.9
173.09598	4.1
173.13193	2.8
175.11169	3.6
175.14798	1.4
177.12718	3.0
179.08487	3.5
180.09340	1.6
181.10060	7.2
182.10832	1.3
183.11668	7.0
185.09534	1.5
185.13235	5.1
187.14761	2.3
189.12772	1.8
191.14282	1.1
193.10100	3.8
193.12219	2.6
194.10847	1.1
195.11652	6.2
195.13531	1.8
197.09572	2.7
197.13278	4.4
199.11174	2.1
199.14786	1.7
201.12711	2.6
203.14268	1.3
205.10022	2.1
207.11710	3.1
209.13293	6.1
209.14978	1.2
211.11275	1.7
211.13246	2.8
211.14928	2.2
213.12730	3.3
213.14560	1.2
213.16447	1.9
215.14369	4.3
221.13321	7.0
223.14886	5.3
225.12616	2.8
225.16302	2.5
227.14493	1.9
231.13739	1.5
233.13107	1.0
233.15349	1.3
235.14783	3.1
237.16331	2.9
239.14232	3.6
241.15845	1.4
243.17319	1.3
243.62109	1.1
250.10965	0.9
253.15834	3.2
257.15341	3.9
259.17099	1.4
269.17374	1.0
271.16901	3.9
273.10229	1.2
275.20020	2.2
289.18030	1.1
303.19568	1.1
315.21039	1.6
323.23611	3.1
333.22159	8.9
341.24664	4.8
351.23129	29.7
369.24179	23.8
387.25281	14.0
407.25577	1.3
415.28152	3.1
425.26791	6.6
433.29706	1.5
443.27890	100.0
444.28146	3.6
461.28937	72.8
462.29227	2.6
479.29950	1.4
485.28683	1.7
503.29803	2.3
551.30005	1.4
587.31970	1.3
605.33069	3.4
623.34442	10.4
623.43274	1.4
624.33545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
52.77428	1.0
53.03935	8.0
55.01868	8.0
55.05503	28.5
57.03177	1.1
57.03430	11.6
57.07074	1.5
59.04994	0.9
61.02916	1.8
63.15964	0.8
65.03915	2.9
67.05496	60.7
69.03422	21.9
69.07059	17.2
69.54449	7.6
71.01353	2.1
71.04980	10.2
73.02895	2.0
77.03887	1.3
79.05482	46.2
81.03407	98.4
81.07043	67.7
81.07418	0.7
83.04464	1.5
83.04967	21.0
83.08607	24.0
85.02898	24.5
85.06530	3.1
87.04453	1.3
91.05468	43.5
93.07034	44.7
95.04953	32.2
95.08030	1.8
95.08598	24.1
97.02882	18.8
97.06506	11.7
97.10152	5.9
99.04449	6.1
99.08089	1.3
103.05476	1.4
105.04526	0.9
105.07017	30.1
106.07360	0.9
107.04937	11.1
107.08575	26.4
107.09276	2.0
109.02864	20.7
109.06509	8.0
109.10143	8.6
111.04425	13.3
111.08061	11.5
113.06021	2.1
115.05443	1.8
117.06986	11.0
119.04948	1.9
119.08564	25.2
121.06500	6.1
121.10118	17.7
123.04419	4.1
123.08078	4.8
123.11691	5.8
125.06012	1.5
125.09583	5.4
127.03905	13.6
127.07591	1.8
127.45935	1.1
128.06232	2.3
129.05463	2.4
129.06992	12.5
131.04947	2.0
131.08548	20.2
133.06479	6.0
133.10121	14.7
135.04413	0.9
135.08069	5.8
135.11697	7.6
137.05994	2.4
137.09598	1.9
139.03917	1.3
141.06966	2.7
142.07774	3.0
143.08533	5.2
145.06461	4.2
145.10092	7.6
147.04385	2.2
147.08012	5.1
147.10577	0.6
147.11662	17.0
149.05995	2.0
149.09598	6.6
149.13248	11.6
153.12691	1.5
155.08554	3.6
157.06461	2.2
157.10112	12.6
159.08066	2.2
159.11652	9.5
163.11180	4.7
165.12694	6.3
167.08582	1.1
169.10135	2.9
171.08049	1.7
171.11653	2.2
173.04475	4.1
173.09634	2.3
173.13275	2.7
175.11157	10.1
177.12720	4.2
181.10092	1.7
181.12164	3.2
183.06566	2.3
183.11667	1.6
185.09669	1.1
185.13264	1.9
187.11142	1.6
189.11145	2.3
189.12755	1.5
191.10654	3.2
193.12213	33.8
195.11847	1.3
195.13733	9.2
197.13261	1.7
199.14774	1.8
201.12782	1.8
206.41670	1.0
209.11609	1.0
209.13319	1.6
211.13246	47.8
213.12813	1.1
213.14870	2.6
215.05046	0.9
215.14275	1.2
219.13739	1.3
227.12636	5.2
229.14246	1.3
231.13809	2.1
233.15327	1.5
235.13232	0.9
243.13927	1.7
249.14790	1.8
257.15393	1.6
261.14905	2.2
267.15860	16.3
269.17459	13.4
273.14767	2.4
275.16428	1.7
275.20224	1.3
277.14255	1.4
283.15634	1.1
285.14267	1.4
285.17111	8.0
287.16562	1.2
291.15787	1.3
297.16992	1.4
301.14413	3.8
303.15912	4.3
319.15469	2.2
321.16962	3.8
337.16388	4.4
339.18018	7.8
341.24863	1.5
349.77155	1.1
351.23203	2.3
355.17551	4.4
369.24210	2.6
375.18240	1.4
377.19482	2.9
387.25391	2.7
389.65848	1.1
392.77921	0.8
393.19125	2.8
393.68701	0.9
395.20596	6.8
405.26303	0.9
411.20062	5.1
413.21841	2.2
417.26361	1.8
435.27328	1.7
443.27939	6.6
461.28940	26.5
462.29984	1.2
473.28049	1.0
479.29977	17.1
485.28909	1.0
495.28769	1.5
499.31216	1.0
503.29861	3.2
541.31372	0.9
545.30859	2.1
549.31104	1.5
551.29456	1.2
562.15424	1.0
569.31085	3.0
575.32043	1.2
587.31891	4.5
605.33008	13.6
605.41888	1.0
623.34167	100.0
624.34729	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	623.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01870	4.3
55.05506	2.7
65.03927	0.5
67.05502	5.5
69.07063	4.1
69.53269	1.6
69.53690	1.2
79.05484	4.2
81.03397	1.1
81.07052	7.6
83.04974	1.1
83.08592	1.0
91.05476	6.8
93.07038	4.6
94.73921	0.3
95.01312	1.4
95.04950	1.9
95.08599	3.9
97.06519	6.9
99.04456	0.3
99.37904	0.4
105.07023	6.7
107.04944	2.4
107.08595	2.3
108.61395	0.4
109.06483	1.0
109.10123	1.1
115.05436	0.5
117.07020	2.0
119.08577	4.1
121.06468	0.4
121.07744	0.4
121.10154	1.8
121.49767	0.4
123.04470	0.4
123.08070	0.6
129.06950	0.6
131.08572	2.1
133.10109	3.4
135.08096	0.7
135.11646	0.6
135.77330	0.4
141.06979	0.5
141.10349	0.4
143.08554	0.7
145.06354	0.4
145.10120	2.7
147.11662	1.6
149.09604	1.0
149.13235	0.6
151.11145	0.5
153.35010	0.4
155.08553	0.4
159.08034	0.4
159.11655	1.7
161.13278	0.7
163.11174	0.8
171.11665	0.9
177.12732	0.6
179.14348	2.0
183.11676	0.5
185.13228	0.5
187.11131	0.5
219.17471	0.6
239.17802	0.7
247.20557	0.8
257.18976	1.0
275.20050	12.8
283.17749	0.4
293.21173	0.7
315.19360	2.3
323.19574	1.3
324.75076	0.5
331.18750	1.7
331.22208	0.5
433.20270	0.7
447.21338	0.5
448.23026	0.4
503.23785	0.4
563.26031	1.3
606.28076	0.5
623.28790	6.6
623.38947	100.0
624.28711	1.1
624.39276	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	623.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27483	0.8
51.02367	1.0
52.51056	0.8
53.03933	3.8
53.57515	1.0
55.01864	5.8
55.05505	15.7
57.03430	10.7
57.07047	2.1
65.03934	5.0
67.05495	45.7
69.03411	2.7
69.07060	14.6
70.25661	3.4
70.26038	1.6
71.04987	2.7
79.05481	36.5
81.03411	7.6
81.07045	60.6
83.04958	4.7
83.08624	7.3
85.06520	6.2
91.05469	36.6
93.07030	30.9
95.01286	2.0
95.04958	38.6
95.08597	22.6
97.06516	6.4
97.10161	3.2
98.20986	2.0
103.05446	2.3
104.10693	1.2
105.07013	36.9
107.04955	9.2
107.08578	19.8
109.06503	36.8
109.10131	7.7
111.04409	1.4
111.08064	3.3
113.05988	13.0
115.05463	2.8
116.06241	1.3
117.07005	16.6
119.04950	1.0
119.08566	21.6
121.06494	4.1
121.10132	10.2
123.04458	1.0
123.08046	5.2
123.11688	2.7
125.09642	1.8
128.06244	2.8
129.06989	10.7
130.07767	1.6
131.08551	23.7
133.06497	3.2
133.10114	16.2
135.08028	13.1
135.08960	1.1
135.11676	8.6
137.09656	1.5
141.06999	3.5
142.07806	2.6
143.08527	13.8
145.06488	3.8
145.10106	19.3
147.08064	3.9
147.11659	8.4
149.09599	5.2
149.13268	3.3
151.11115	1.6
154.07727	1.3
155.08549	6.9
157.10123	10.0
159.08051	3.1
159.11656	12.3
161.05962	1.1
161.09567	6.4
161.13222	6.3
163.11192	4.0
165.09117	1.0
167.08592	2.5
169.10103	6.9
171.08063	1.3
171.11652	8.0
173.09587	2.0
173.13219	6.6
175.11250	1.6
175.14838	2.5
177.12735	2.9
179.14322	2.7
181.10132	2.7
183.11649	5.8
185.09558	1.7
185.13196	4.7
187.11169	3.3
187.14819	2.5
189.11305	1.1
193.10191	1.6
195.11719	3.6
195.13698	0.9
197.13313	3.9
199.11084	1.8
199.14824	3.4
201.12787	1.7
201.16444	2.0
205.12254	1.1
207.11801	2.3
209.13335	3.0
211.14822	2.1
213.12645	1.4
213.16440	2.4
217.15884	3.6
221.13309	2.0
223.14928	2.5
225.16472	1.8
227.17958	2.2
229.19524	1.0
233.15410	1.3
237.16496	1.6
239.18147	1.3
241.14241	1.2
241.19585	3.4
245.19017	1.6
254.58121	1.0
255.17566	2.0
257.19092	2.4
259.20557	5.3
271.20865	1.3
273.18491	14.5
275.20068	10.1
279.15939	6.8
283.20599	1.1
291.19504	24.4
315.23242	3.2
327.23489	1.0
327.27011	3.0
333.24274	3.6
339.22870	0.9
347.22000	6.5
349.24246	1.9
365.23373	2.0
379.30194	1.1
418.61090	1.0
495.35336	1.2
499.34283	1.1
513.36707	2.9
525.34912	1.0
531.38208	5.6
549.39264	3.9
551.37646	1.1
567.40332	3.5
605.41785	17.0
623.42987	100.0
624.43018	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03934	0.3
55.01862	0.3
55.05494	0.4
57.03432	1.9
59.04977	0.2
61.02933	0.7
68.42366	0.1
69.03423	1.0
71.04987	10.9
71.10557	0.2
71.10879	0.2
71.62448	0.1
73.02910	0.5
75.04467	0.5
81.03412	0.7
83.04974	0.5
85.02897	15.7
87.04459	0.5
91.03939	0.2
91.05477	0.3
92.02622	0.5
93.03400	0.6
95.04974	0.1
97.02885	1.6
98.85587	0.1
99.04445	0.3
100.07594	0.1
100.11237	0.5
107.04970	0.1
109.02887	0.5
111.04452	0.6
121.02862	0.5
121.06426	0.1
121.58296	0.1
123.04429	0.1
126.03124	0.2
127.03897	1.0
129.05473	3.5
137.02339	0.2
137.05997	0.2
139.03902	0.6
145.04951	1.0
147.06485	1.1
151.03911	0.6
153.01822	4.4
165.01822	0.5
169.02029	0.1
177.05508	0.3
182.15393	0.4
183.02869	0.2
185.18753	0.1
201.05472	0.5
203.03384	0.2
209.16579	0.2
210.14867	0.5
217.05040	0.4
218.05730	0.3
219.02985	0.2
228.04147	0.7
229.04932	2.5
231.02791	0.2
239.10036	0.1
245.04445	0.6
246.05225	1.3
256.03683	0.2
257.04443	2.1
260.03101	0.3
261.07437	0.2
273.03864	1.2
274.04697	3.5
284.03131	0.4
285.03900	3.4
286.04514	0.1
288.06158	0.2
302.04199	10.4
303.04794	0.2
317.06528	100.0
318.06946	1.4
319.04449	0.2
359.07474	0.3
479.11517	0.5
625.22491	0.2
625.42371	0.5
651.99542	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01869	0.9
55.05497	2.6
57.03426	1.8
58.08211	0.7
67.05499	8.2
69.07059	2.5
71.08635	0.7
79.05479	5.6
81.07040	7.4
82.26484	0.6
83.04973	0.9
83.08616	2.0
85.06516	1.0
91.05475	4.1
93.07027	6.8
95.04948	3.0
95.08598	4.2
97.06509	0.6
97.10172	1.0
98.21115	3.0
103.05538	0.6
105.07034	4.1
107.04979	0.8
107.08586	2.3
109.06509	3.8
109.10167	2.0
113.06024	2.0
117.07018	1.5
119.08562	3.3
121.06567	0.7
121.10128	2.3
123.08051	0.6
123.11704	0.7
125.09656	0.6
128.06265	0.7
129.06996	1.9
131.08569	2.6
133.10109	2.6
135.08011	3.3
135.11665	1.5
137.09657	0.6
141.06987	0.6
143.08574	1.3
145.10135	2.5
147.07991	0.7
147.11716	1.2
149.13286	0.6
155.08519	0.8
157.10120	1.8
159.11690	1.2
161.09630	0.6
163.11217	0.7
169.10085	0.8
171.11665	1.1
173.13243	0.8
183.11736	0.7
185.13310	0.7
197.13164	0.6
199.14748	0.6
217.15904	1.0
273.18427	3.4
275.20090	0.9
277.77417	0.6
291.19427	7.4
335.25793	1.6
347.22205	0.7
377.17688	0.9
379.18979	1.1
391.14932	0.8
391.19391	1.3
392.19855	1.1
393.20901	0.9
405.17136	2.0
405.21292	1.3
407.22495	4.4
408.23169	0.8
419.18668	2.6
419.23340	1.1
420.19348	1.7
421.20148	2.4
431.18304	0.9
433.19818	5.1
434.21094	3.1
435.21884	7.4
447.22009	1.8
449.19684	1.8
451.24893	1.3
453.35620	1.1
461.23373	1.8
462.21066	0.6
463.21338	2.1
464.22034	2.1
465.22897	2.3
477.22812	1.4
478.23502	3.5
479.24954	3.6
491.24399	1.9
493.25879	0.9
495.23419	1.0
505.25778	1.1
521.25403	9.3
523.23364	1.7
527.37305	2.1
537.24963	1.1
547.27374	1.4
549.24982	0.8
565.27972	19.2
566.28113	1.0
581.27643	3.5
607.43323	2.3
625.30145	100.0
625.44781	10.2
626.30377	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	625.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05501	1.0
57.03430	0.5
67.05499	2.2
69.07061	1.1
71.04995	0.3
71.08608	0.3
78.20316	0.3
79.05490	1.9
81.07048	2.0
83.08619	0.6
89.53767	0.2
91.05459	1.7
93.07039	1.7
95.04954	0.4
95.08607	1.2
97.06512	0.5
97.10124	0.3
105.07040	1.5
107.08601	0.9
109.06522	0.4
109.10143	0.7
117.07034	1.0
119.08549	1.3
121.10123	0.6
123.11652	0.3
129.06990	0.5
131.08600	0.8
133.10170	1.1
135.08040	0.3
143.08575	0.5
145.10164	0.9
147.11705	0.4
155.08615	0.3
159.11743	0.4
161.13252	0.5
169.10146	0.3
171.11688	0.3
173.13339	0.3
184.98817	0.3
231.02519	0.2
241.19629	0.2
273.18399	0.3
275.20169	0.6
276.20520	0.4
299.19699	0.3
320.14496	0.3
349.23624	0.4
351.16254	0.3
365.17764	0.3
377.17761	0.3
379.15378	0.4
389.17899	0.4
389.40628	0.3
390.18478	0.5
391.19348	0.7
392.20230	0.4
393.17050	0.4
403.19513	0.4
404.16046	0.3
405.16415	0.4
405.20993	1.0
406.21884	1.3
407.22546	0.7
418.17480	1.6
419.18680	1.7
419.23135	0.7
420.23584	3.0
421.15945	0.3
421.23907	0.8
422.17422	0.5
431.18399	0.3
432.19119	1.5
433.19925	4.7
434.20905	1.5
435.13858	0.5
435.22375	0.9
437.23578	1.3
445.20544	0.3
446.21127	1.1
447.21753	5.1
448.22675	2.5
449.19614	3.1
450.17090	2.0
451.19669	0.3
451.25320	2.7
452.25708	0.7
463.20975	3.3
464.22043	2.9
465.22733	4.1
477.22650	2.7
478.23682	6.6
479.24655	8.7
480.25104	0.5
491.24878	2.6
492.25528	0.6
493.25894	0.4
495.24203	0.6
505.27029	1.4
506.26782	0.4
510.26389	1.1
519.23560	0.6
523.22668	2.5
527.37451	1.1
533.25476	0.4
534.26215	1.1
535.26929	0.8
536.20758	0.9
537.24939	1.4
550.26044	0.3
551.26489	0.6
565.28455	27.2
566.28754	2.0
593.27490	0.8
594.27942	0.4
596.26221	0.6
597.30670	0.8
607.26074	0.4
607.43402	0.8
625.30188	100.0
626.30542	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	625.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05504	1.6
67.05495	3.1
69.33017	7.9
74.69365	0.8
77.12607	0.6
79.05491	2.4
81.07046	3.2
81.07469	0.6
89.26373	0.8
91.05466	2.4
93.07030	2.1
95.04968	0.7
95.08595	1.6
97.06506	1.0
98.21555	1.5
105.07019	1.6
107.08600	1.5
119.08589	1.0
121.10145	0.8
131.08597	0.9
133.10129	1.4
145.10141	0.9
188.45775	0.7
275.19885	0.8
277.21652	1.1
315.19226	1.2
333.20279	3.2
435.20401	0.9
447.21152	1.2
448.21884	1.0
460.22116	1.1
547.26025	0.9
565.27002	1.6
607.28003	2.5
625.29126	23.3
625.40479	100.0
626.28992	0.9
626.40448	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.8
55.01845	2.6
55.05506	6.1
57.03432	7.4
62.06463	0.6
65.03901	2.3
67.05499	22.2
69.03399	1.0
69.07050	5.6
69.32697	5.1
69.33113	1.8
71.04962	1.8
79.05479	17.9
81.03395	1.5
81.07047	18.3
83.04948	1.7
83.08575	2.8
85.06519	4.8
91.05469	16.2
93.07031	17.4
94.98153	0.7
95.04958	17.7
95.08053	0.8
95.08601	10.2
97.06507	1.6
97.10151	1.1
105.07018	9.9
107.04916	2.8
107.08577	11.0
109.05792	1.2
109.06506	19.7
109.10155	4.1
111.08062	1.0
113.05998	14.9
115.05364	0.8
117.07005	5.7
119.08570	6.4
121.06449	1.8
121.10145	6.1
121.13608	0.7
123.08018	1.3
125.09604	0.8
128.06183	0.8
129.06944	2.7
131.08536	6.8
133.10141	4.3
135.08031	12.3
135.11659	3.5
143.08504	2.8
145.10114	4.3
147.07973	2.1
147.11586	2.6
149.09526	1.9
149.13196	1.4
157.10094	3.7
159.07916	1.3
159.11644	3.0
161.09613	3.8
161.13211	1.5
163.11066	1.0
165.08891	0.7
169.10031	0.9
171.11565	1.6
173.13242	1.6
175.11163	1.2
183.11600	0.9
185.13158	1.3
199.14694	1.4
201.12715	1.1
217.15877	5.5
223.13141	1.0
245.18736	0.9
255.17293	1.2
272.74115	0.8
273.18475	13.9
275.19830	0.9
291.19498	39.8
309.20358	1.3
315.19232	1.3
333.20334	3.2
335.25739	3.3
347.21988	1.7
365.23230	0.9
462.01178	0.6
526.74719	0.8
607.42731	2.8
617.23126	0.8
625.40424	100.0
626.40613	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	625.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02288	0.8
53.03819	2.8
53.04099	1.3
53.06611	0.6
55.01746	3.6
55.02032	1.5
55.05385	16.6
55.05685	8.9
57.03307	2.2
57.03611	1.4
57.92187	0.7
65.03799	2.5
65.04169	1.4
67.05360	34.8
67.05766	10.6
69.03284	6.8
69.03696	2.1
69.06922	20.5
69.07346	5.7
71.04884	1.7
71.05199	0.7
71.35207	1.4
79.05342	40.4
79.05856	8.2
81.03262	2.9
81.06900	37.3
81.07436	6.9
81.07710	1.4
83.04826	3.1
83.08459	6.6
85.06429	1.4
85.06908	0.7
86.86050	0.7
91.05322	26.0
91.05955	3.7
93.06881	38.7
93.07536	5.5
95.01234	0.9
95.04809	10.9
95.05460	1.7
95.08443	24.9
95.09125	3.3
97.02724	8.0
97.03429	1.5
97.06370	3.8
97.10008	8.3
97.10690	1.3
103.05374	1.1
105.06859	18.6
107.04787	5.8
107.08426	22.3
107.09213	1.7
109.06348	7.4
109.09985	13.0
111.04317	1.6
111.07951	1.6
117.06847	10.6
119.04807	1.2
119.08408	16.9
121.06326	3.2
121.09976	13.0
121.10918	0.9
123.07898	3.4
123.11537	2.4
125.09464	6.2
128.06065	1.1
129.06825	4.5
130.07654	1.1
131.08386	11.6
133.06337	1.6
133.10112	10.3
135.08041	3.4
135.11674	8.2
137.09442	2.4
141.06908	0.9
142.07599	0.8
143.08540	4.7
145.10085	9.6
147.08020	5.1
147.11702	5.5
149.09460	2.0
149.13220	5.1
153.08893	0.9
153.12549	0.7
155.08420	1.7
157.10072	3.5
159.11678	6.2
161.09610	3.7
161.13065	3.0
163.11005	2.2
163.14693	1.3
165.08971	1.9
169.10094	1.7
171.11629	3.8
173.11652	0.9
173.13098	2.7
175.11064	2.0
175.14694	1.8
177.12637	1.1
180.87123	0.6
181.09973	1.3
181.12154	0.9
183.11536	0.8
185.13095	1.8
187.14661	1.5
189.11035	3.0
195.13715	1.7
197.13133	1.0
199.14763	1.1
205.12053	2.1
209.13055	1.2
211.14622	0.9
223.13217	15.1
227.12672	1.4
227.17914	1.6
237.16302	0.8
239.80569	0.7
243.21013	1.4
245.18767	1.2
249.14818	1.5
255.17342	1.9
261.22116	3.4
263.20026	0.9
273.18466	14.4
275.20062	1.2
291.19516	96.0
292.19778	1.4
297.79340	0.9
309.20605	1.4
313.08728	0.7
315.19452	1.0
317.24655	1.8
333.20282	1.1
335.25745	4.0
347.22247	3.0
363.25745	0.9
365.23248	1.7
381.31595	0.8
422.10403	0.8
533.40198	0.8
551.41479	0.9
607.44073	3.0
625.44775	100.0
626.45416	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	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01860	4.8
55.05257	1.8
55.05507	28.9
57.03428	5.0
57.07070	2.8
59.04996	1.7
65.03931	1.5
66.31940	1.2
67.05499	39.2
69.03397	2.2
69.06712	1.6
69.07065	21.0
69.35664	7.6
69.36094	4.2
71.04980	5.7
79.05049	2.2
79.05488	33.5
81.07050	43.6
83.04974	3.5
83.08603	15.1
83.58827	1.2
85.06541	3.1
87.80938	1.1
91.05467	22.6
93.07040	25.5
95.04971	6.1
95.08599	23.5
97.06517	7.3
97.10169	11.8
103.05429	1.5
105.07021	23.2
107.04942	3.1
107.08588	25.9
109.06499	3.8
109.10158	14.1
111.08064	2.7
111.20767	1.3
117.06995	11.8
119.08566	20.3
121.06532	2.6
121.10109	11.9
123.11674	11.7
125.09625	9.9
128.06204	3.7
129.06993	13.3
131.08548	17.5
133.10103	16.5
135.08057	3.6
135.11690	6.5
141.06952	6.7
142.07732	2.6
143.08559	18.7
145.06459	1.5
145.10127	17.6
147.11693	10.1
149.09627	2.2
149.13254	3.9
154.07744	1.9
155.08528	12.9
156.09319	2.8
157.10120	16.2
159.11671	13.2
161.09596	1.3
161.13316	7.1
163.11185	1.4
165.07034	1.9
166.07845	2.0
167.08577	3.9
168.09398	2.6
169.10115	12.7
170.10820	1.7
171.11719	13.8
173.09587	2.1
173.13205	8.5
175.14871	3.0
179.08554	2.3
180.09399	1.7
181.10115	9.2
182.10928	1.6
183.11652	14.3
185.09637	1.6
185.13232	13.7
187.13289	3.2
187.14885	6.4
189.11195	6.1
193.10155	1.5
195.11674	7.8
196.12462	1.6
197.13261	13.9
199.14801	6.4
201.16415	4.3
207.11694	2.4
209.13235	6.9
211.14758	7.5
213.16408	5.0
215.18071	1.3
221.13235	3.1
223.14801	4.0
225.16315	6.3
226.87010	1.2
227.12680	6.6
227.17975	3.5
233.15503	1.4
235.14774	2.1
237.16360	4.8
239.18016	3.6
241.19511	3.1
243.15953	4.5
247.14833	1.4
248.59024	1.3
251.17862	3.0
253.19572	3.0
257.18890	1.5
259.20584	4.4
265.19559	2.0
267.21045	1.5
273.18527	1.9
275.20120	5.6
306.78488	1.2
311.23596	1.7
323.23734	2.8
333.24246	3.0
344.59070	1.4
347.23062	1.4
349.24054	2.3
353.24490	1.5
363.26859	2.1
365.28284	9.4
377.28806	1.4
379.29855	2.0
381.31534	4.0
383.29538	1.8
421.31305	3.5
439.32022	5.2
461.61612	1.5
513.35590	8.4
515.38971	6.6
527.37561	2.8
533.40009	9.9
551.40881	5.1
589.42712	3.4
607.26489	1.7
607.43445	39.7
608.43457	1.6
625.27753	3.1
625.44574	100.0
626.45001	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01865	30.0
55.05254	1.8
55.05505	25.1
55.49484	1.1
55.98608	0.9
56.37097	1.0
57.03432	8.1
57.07057	4.0
65.03941	3.1
67.05495	51.1
69.03426	1.4
69.07059	70.3
69.43194	9.7
70.91978	1.0
71.04977	4.0
71.08590	1.3
79.05485	37.3
81.03393	4.4
81.07047	59.5
83.04962	8.7
83.08602	11.2
85.06518	2.4
85.40665	1.0
91.05468	47.5
93.06457	2.4
93.07029	36.9
95.01315	3.5
95.04965	10.2
95.08595	38.4
97.06516	36.3
97.10159	5.6
98.21469	2.2
99.08089	2.3
103.05425	1.6
105.07017	56.8
107.04944	13.4
107.08585	27.2
109.06492	5.0
109.10140	16.0
111.08046	2.8
113.06004	1.2
115.05461	2.6
117.07006	20.0
119.08566	39.5
121.06476	3.6
121.10135	15.4
123.08041	4.5
123.11681	4.3
124.11356	1.0
125.09611	6.6
127.07487	1.0
128.06215	4.5
129.05481	1.7
129.06984	15.3
131.08557	40.2
133.06479	1.9
133.10110	34.7
135.08049	3.2
135.11667	12.3
137.09576	3.6
139.07507	1.1
139.11188	1.9
141.06969	7.2
142.07834	2.6
143.08546	22.4
144.09306	2.2
145.06476	2.5
145.10101	36.2
147.08054	3.4
147.11665	20.3
149.09595	8.0
149.13275	4.9
151.11166	2.4
155.08516	12.6
156.09355	2.2
157.10100	20.6
159.08034	1.9
159.11665	25.6
161.09612	1.9
161.13234	15.0
161.27414	1.2
163.11205	5.7
163.14775	2.5
167.08525	6.1
168.09267	1.3
169.10118	15.0
171.08109	2.1
171.10225	2.0
171.11633	20.3
173.09619	3.0
173.13246	14.9
175.11226	2.5
175.14801	8.9
177.12744	4.8
179.08528	1.4
179.14307	5.8
181.10152	7.9
183.11681	15.4
183.13196	1.8
185.09584	2.2
185.11684	0.8
185.13243	16.6
187.11165	3.2
187.14822	6.5
189.12735	1.5
191.14182	1.2
193.10176	2.5
195.11673	8.5
197.13196	10.8
199.11278	1.7
199.13147	1.8
199.14793	8.9
201.12706	1.9
201.16310	2.7
203.14323	1.1
205.10217	1.8
205.12076	1.3
207.11702	4.5
209.13219	7.1
211.11191	1.8
211.14812	6.6
213.16342	5.8
215.14288	1.5
215.17987	2.2
217.19594	1.7
219.11574	1.6
221.13231	2.7
222.94690	1.1
223.14816	6.6
225.12825	1.9
225.16315	5.0
227.17891	1.6
231.17468	1.8
231.21074	2.4
233.13155	1.8
235.14761	2.8
237.16400	2.8
239.17961	4.5
241.19492	14.7
245.19147	1.3
247.20583	2.6
249.16258	1.8
251.17894	2.3
257.19040	6.5
259.20538	18.6
265.19534	2.0
273.18512	3.1
275.20038	35.2
276.20337	1.3
277.21777	2.6
279.21048	1.3
293.21176	3.1
297.22058	3.5
299.23547	1.4
307.20563	1.5
311.20090	1.8
311.23526	2.6
313.21588	1.8
315.23187	5.0
321.21951	1.6
323.23663	1.9
325.25439	1.4
327.23431	1.1
331.22610	2.7
333.24228	18.0
337.25156	1.9
339.23083	1.9
341.24487	1.8
349.23691	27.7
351.25790	1.3
353.24664	1.4
367.25510	1.1
409.30945	1.3
417.31509	2.2
419.33066	3.5
421.31012	2.4
435.32532	6.5
437.34216	16.0
447.31708	1.3
453.33957	2.6
454.51358	1.2
455.35349	2.3
463.31937	1.9
475.35458	1.2
483.34494	1.9
493.36569	2.6
495.34335	1.9
501.35809	2.2
509.36145	3.3
511.37741	13.8
513.35706	7.9
515.38629	4.7
527.37311	6.6
529.38727	6.7
533.39966	9.3
537.35968	2.0
551.40930	7.6
555.36749	3.3
556.37201	3.0
565.27667	3.8
589.42419	2.7
597.44952	3.4
607.43701	59.6
608.43622	4.3
625.29797	6.7
625.44812	100.0
626.29938	2.6
626.45117	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56526	1.3
53.03937	3.5
53.59549	1.4
55.01879	8.2
55.05507	29.9
57.02692	1.5
57.03434	7.5
57.07064	2.9
59.04996	2.3
62.24360	1.2
65.03931	1.5
67.05500	56.9
68.05808	1.2
68.66811	1.3
69.03419	2.7
69.06709	2.2
69.07063	28.9
71.04990	4.5
74.53796	1.2
77.03877	1.5
79.05484	35.4
79.71158	1.2
81.03410	4.8
81.06567	2.8
81.07050	58.5
83.04961	5.7
83.08604	13.1
85.06537	2.6
91.05472	34.8
93.07032	37.2
95.04974	7.1
95.08599	34.8
97.02868	1.3
97.06515	9.5
97.10149	10.6
99.08075	2.1
105.07022	37.5
107.04959	5.6
107.08576	26.8
109.06532	5.6
109.10160	19.3
111.08086	4.3
115.05409	2.4
117.07012	16.4
119.08578	28.6
121.06503	1.6
121.10139	18.8
123.08054	2.4
123.11699	8.9
125.09595	7.9
128.06227	3.7
129.06996	16.6
131.08551	23.5
133.06497	2.0
133.10117	24.5
133.11057	2.0
135.08057	3.1
135.11702	7.1
137.09589	1.5
141.06961	6.1
142.07777	4.6
143.08537	19.0
145.10115	22.7
147.08054	3.1
147.11684	14.7
149.09583	6.0
149.13261	3.6
151.11183	1.6
153.07056	2.1
153.09087	1.3
155.08540	10.8
156.09441	1.8
157.10112	20.4
159.08076	1.5
159.11687	19.9
161.09500	1.5
161.13193	8.0
163.11211	4.4
165.07077	1.7
166.07669	1.3
167.08588	4.9
169.10118	15.6
171.08047	1.5
171.11668	18.3
173.09598	2.3
173.13260	11.5
175.14876	4.2
177.12753	2.1
179.08530	2.3
180.09201	1.5
181.10081	7.9
182.10785	1.5
183.11679	15.0
185.09747	1.6
185.13249	11.1
187.13354	2.3
187.14859	5.6
189.11220	3.4
189.12813	2.1
193.10176	3.4
195.11635	8.0
197.13246	14.0
198.19432	1.4
199.11256	1.6
199.13271	1.9
199.14777	7.3
201.16368	3.8
207.11740	4.4
209.13266	6.8
211.14796	9.4
213.16470	6.7
215.14308	1.3
215.17940	1.7
219.11626	1.4
220.12460	1.7
221.13300	2.7
223.14888	6.5
225.16420	4.4
227.12793	4.8
227.17894	2.1
229.19450	2.2
235.14827	4.7
235.17055	1.7
237.16359	2.9
239.17970	3.9
241.19565	3.9
243.15947	3.3
249.16411	1.6
251.18102	3.9
253.19604	2.0
257.19025	3.9
259.20535	6.4
263.17892	1.9
265.19534	1.7
269.17514	1.9
272.12210	1.3
273.18622	2.3
275.20090	9.8
289.21744	1.3
293.21494	1.5
323.23602	2.1
325.21573	1.3
325.25504	1.7
333.24121	3.9
335.23746	1.4
349.23755	6.0
365.28412	5.6
379.30179	2.3
381.31631	1.8
383.29739	2.3
403.29922	1.9
407.28864	2.1
421.31064	3.8
439.32355	3.6
445.30295	2.1
463.30838	3.9
495.34460	2.9
499.34299	1.7
513.35620	19.4
515.38416	8.1
527.37292	4.6
533.39862	9.3
551.40881	5.1
553.39014	2.1
589.42358	3.6
597.44958	1.6
607.35345	1.8
607.43512	49.3
625.27026	6.1
625.44568	100.0
626.45221	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01866	23.0
55.05505	24.5
57.03433	8.9
57.07055	3.1
65.03932	2.5
66.93068	1.0
67.05496	43.4
69.03424	1.8
69.07062	55.6
70.42142	3.6
71.04995	3.1
71.08626	1.7
73.06561	1.3
79.05483	36.2
80.91589	1.2
81.03421	4.2
81.06565	2.4
81.07047	47.5
83.04981	7.6
83.08607	10.1
85.06529	3.0
91.05469	44.0
93.07036	38.2
95.01328	3.5
95.04961	9.7
95.08598	34.4
97.06521	30.7
97.10165	4.9
98.21488	1.1
99.08102	2.5
103.05447	2.2
105.07019	46.5
107.04948	10.6
107.08582	23.5
107.12022	0.9
107.44173	1.0
109.06509	3.0
109.10144	15.6
111.08073	3.7
115.05486	1.9
116.06205	1.5
117.07004	16.6
117.22775	1.1
119.08564	37.7
121.06536	2.7
121.10132	15.6
123.08069	3.8
123.11716	4.3
125.09605	5.6
128.06241	3.6
129.05502	1.5
129.06982	15.4
131.08554	34.6
133.06480	1.8
133.10121	27.4
135.08069	3.8
135.11684	10.9
137.09608	2.8
137.13214	1.1
139.11195	2.0
141.06967	4.8
142.07753	2.2
143.08539	20.9
144.09241	1.0
145.06477	2.7
145.10106	29.0
146.10365	1.3
147.08083	2.7
147.11662	19.3
149.09581	5.2
149.13255	4.2
151.11180	2.4
153.07016	1.3
155.08559	11.5
156.09306	1.1
157.10109	19.9
159.08080	1.9
159.11687	21.9
161.09621	3.3
161.13252	15.3
163.11191	5.8
163.14877	2.0
167.08539	4.9
168.09354	1.5
169.10106	15.1
170.10913	1.3
171.08041	1.1
171.10152	3.4
171.11702	18.6
172.73441	1.1
173.09741	2.0
173.13269	12.1
175.11148	2.4
175.14796	6.7
177.12750	3.6
179.08565	2.5
179.14305	4.6
181.10146	8.2
183.08009	1.0
183.11676	13.9
184.12601	1.0
185.13237	13.7
187.11200	3.7
187.14836	6.9
189.12781	1.6
191.14355	1.7
193.10112	3.5
194.11020	1.2
195.11676	10.1
197.13225	10.6
199.11328	1.9
199.14827	9.1
201.16457	2.7
205.15977	1.0
207.11761	3.5
209.13269	7.9
211.14783	5.9
213.12781	2.2
213.16435	3.9
215.14339	1.2
215.17957	2.2
217.15820	1.2
221.13286	2.9
223.14812	6.4
225.16452	3.3
227.18013	1.9
229.19612	1.5
231.21069	2.4
235.14847	3.4
237.16423	3.3
239.17960	3.5
241.15996	1.7
241.19485	11.4
245.18964	1.4
247.20717	1.3
249.16219	1.2
251.17976	2.6
253.19609	1.3
257.19000	6.2
259.20517	14.7
265.19543	1.5
273.18607	3.0
275.20016	33.1
276.20517	1.4
277.19064	1.5
277.21783	2.3
279.15872	2.2
279.21106	2.1
283.20746	1.6
285.22278	2.3
291.19580	1.6
293.21341	1.5
297.22171	1.9
311.20206	1.2
311.23715	2.5
313.21725	1.8
315.23221	4.6
323.23679	1.8
325.21527	1.2
325.25027	1.3
327.22968	1.5
333.24222	16.7
337.25366	1.7
339.22955	1.6
341.24670	1.5
347.22482	1.2
349.23682	19.3
350.24011	2.1
353.24875	1.4
363.26752	1.6
367.26620	1.5
409.30988	1.7
419.33090	2.4
421.30966	2.9
435.32721	4.7
437.34119	12.7
453.33899	2.4
455.34882	2.8
473.33585	1.8
493.36737	2.9
501.35992	2.7
509.36377	2.0
511.37842	13.5
513.35944	7.2
515.38715	6.2
527.37286	6.5
529.39197	5.2
533.39825	9.9
551.40942	6.6
555.36621	3.1
556.37323	2.6
589.42084	2.5
597.45081	3.4
598.84790	1.3
607.43488	60.5
608.44000	4.1
625.27075	3.4
625.44562	100.0
626.44928	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	8.0
55.05503	23.2
57.03434	5.0
57.07060	3.1
59.04986	1.5
65.03918	2.1
67.05495	43.5
69.03424	1.7
69.07056	22.2
70.30080	0.7
71.04988	4.1
77.03908	1.0
79.05482	29.1
80.05772	0.7
81.03403	2.2
81.07043	43.4
83.04967	4.1
83.08601	13.0
85.06534	2.8
85.64510	0.7
86.09685	3.4
91.05468	28.4
92.05783	0.8
93.07027	31.2
95.04965	7.0
95.08597	28.8
97.06525	7.3
97.10154	8.7
98.21118	4.4
99.08068	2.8
103.05485	1.0
105.04522	0.8
105.07012	29.5
107.04952	2.9
107.08573	22.1
109.06525	4.6
109.10144	15.4
111.08074	3.5
115.05425	2.4
117.06992	15.5
119.08566	24.7
121.06487	2.5
121.10129	11.3
123.01591	0.7
123.08071	1.7
123.11704	5.6
125.09594	6.5
128.06198	3.9
129.06976	12.4
130.07764	1.6
131.08545	21.3
131.09496	1.3
133.06480	1.4
133.10120	18.2
135.08046	3.2
135.11662	8.8
137.09605	2.5
137.13193	1.3
139.11143	1.4
140.14334	1.2
141.06935	4.3
142.07777	2.9
143.08543	19.0
144.09346	1.5
145.06464	1.3
145.10103	20.3
147.08069	2.3
147.11667	12.1
149.09576	4.0
149.13289	3.0
151.11162	1.0
154.07787	2.4
155.08531	10.4
156.09253	1.5
157.10114	17.3
159.08055	1.4
159.11674	14.3
161.09683	1.3
161.13223	6.3
163.11165	2.4
163.14842	1.4
165.07147	0.9
167.08568	4.2
168.09271	1.2
169.10098	13.2
170.10828	1.0
171.08000	1.0
171.11639	14.9
173.09590	1.3
173.11792	0.9
173.13223	10.4
175.11070	1.7
175.14842	2.9
177.12730	1.0
179.08524	2.3
181.10075	6.6
182.10893	1.2
183.11676	14.1
185.13257	10.7
187.13274	1.9
187.14822	5.6
189.11192	2.5
189.12726	1.6
189.16377	1.7
193.10149	2.5
195.11653	7.2
196.12415	1.4
197.13255	10.0
199.11174	1.3
199.14793	6.2
201.12859	0.9
201.16412	2.6
207.11720	3.0
208.12486	1.2
209.13191	5.9
211.14804	6.1
213.12933	1.2
213.16351	4.3
215.18024	1.8
217.15846	1.0
219.11710	0.9
221.13261	2.7
223.14862	4.1
225.12878	1.0
225.16405	3.2
227.12813	3.3
227.17967	2.9
229.14146	1.5
229.79863	0.8
233.18887	0.8
235.14856	2.7
237.16425	3.8
239.17955	4.3
241.19498	3.9
243.15811	1.4
247.20731	0.9
249.16399	1.7
251.17957	2.3
253.19673	1.2
257.01385	0.8
257.19016	2.7
259.20587	5.8
263.17828	1.7
263.20279	1.5
265.19455	1.1
267.21225	0.9
269.18909	0.8
271.20551	1.8
273.18591	3.4
275.20071	8.0
281.19009	0.9
285.21808	1.3
289.21887	1.3
291.19543	1.6
295.20639	1.2
297.22186	1.9
301.21460	1.2
303.20908	0.9
309.22040	1.2
311.23819	1.9
313.21597	1.6
315.23022	2.1
321.21939	1.2
323.23755	1.7
325.25180	1.2
327.23203	1.0
331.22592	1.2
333.24295	3.9
339.23187	1.4
341.24738	1.5
347.22122	1.7
349.23599	6.0
353.24774	1.5
363.26688	1.3
365.28391	3.5
367.26007	2.3
379.30286	1.0
381.31989	1.6
383.29630	1.6
395.29315	1.0
403.29712	1.7
407.29602	1.0
409.30991	0.9
421.30942	3.4
438.17838	0.9
439.32047	2.4
445.30466	1.3
447.32071	0.9
463.31876	1.2
473.33173	1.0
495.34680	2.4
513.35754	16.2
515.38849	7.2
527.37238	4.3
533.39948	7.9
537.34930	1.2
551.40979	4.9
555.37329	1.1
567.40430	1.1
569.42029	1.3
589.42371	3.2
591.28204	0.9
595.43311	1.0
597.44464	2.0
607.43475	45.8
608.43781	1.3
625.44531	100.0
626.45081	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	627.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68819	0.6
55.01845	0.6
55.05504	1.9
57.03428	8.6
57.11962	0.7
61.02908	1.1
62.97764	0.6
67.05469	0.9
68.99787	1.5
69.03416	2.5
69.49471	2.0
69.49889	3.3
70.06562	0.6
71.01347	0.7
71.04985	59.2
72.05310	1.3
73.02890	1.6
73.57517	0.6
75.04462	2.7
76.31731	0.6
79.05508	0.8
81.03397	1.8
81.76851	0.5
83.04967	5.8
85.02895	70.8
86.03220	2.1
86.09721	0.7
87.04454	1.8
91.05465	2.1
97.02856	1.9
98.20715	1.1
99.04433	1.3
100.09029	0.6
100.11212	0.9
107.04944	0.9
109.02871	1.0
111.00802	2.1
111.04444	3.3
117.03369	1.1
119.04958	0.9
120.36727	0.7
123.04390	1.6
127.03905	1.5
129.05467	17.7
130.05804	0.7
135.04388	3.5
137.02283	1.3
137.05954	1.0
139.03879	1.1
145.02827	2.6
145.04958	0.8
147.04300	3.0
147.06549	3.2
148.06798	0.7
151.03857	1.0
153.01811	15.6
153.02971	1.2
159.04391	0.9
163.03891	14.1
165.01819	1.2
171.16306	0.6
175.03735	0.7
177.05489	0.7
182.15375	0.6
183.02852	1.2
189.01721	0.7
191.03354	2.4
193.01424	0.9
207.02866	1.2
210.14938	0.8
213.05556	0.9
215.03450	0.6
217.01340	1.8
217.04926	1.5
219.02887	2.1
221.00690	0.7
229.04927	1.9
231.02887	2.1
233.04459	1.1
235.02365	3.3
241.04974	0.8
243.02835	0.9
245.00812	2.1
245.04510	2.0
246.05064	0.8
253.04893	1.6
255.02892	1.6
257.04279	1.7
259.02338	4.0
261.03888	2.1
263.01871	0.9
269.04388	3.4
273.03885	2.0
274.04663	1.4
275.04849	0.9
276.05289	0.8
281.04584	1.6
283.02399	2.0
285.03900	2.4
285.16931	1.2
287.01871	9.9
287.05194	1.6
297.03885	6.9
301.03418	14.9
302.04037	4.0
303.04782	5.3
304.04718	1.9
305.02896	1.9
313.03387	1.6
315.04834	5.2
317.06519	30.2
318.06870	24.1
319.04599	3.4
319.07306	25.7
325.03391	3.3
327.04990	2.5
329.02856	21.0
330.35724	0.8
343.04468	7.7
355.04416	1.9
371.03943	78.4
372.04266	1.2
395.07465	1.0
411.07092	2.5
439.06607	0.8
465.08118	10.7
481.07605	100.0
482.07944	2.0
626.42975	0.8
627.23895	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
53.03915	0.2
57.03436	2.3
61.02890	0.4
64.81165	0.2
68.99771	0.5
69.03429	1.1
69.71366	1.4
71.04986	13.7
73.02908	0.2
75.04439	0.6
81.03369	0.3
83.04957	0.5
85.02896	17.4
87.04441	0.5
90.41599	0.2
97.02888	1.0
98.20695	0.3
99.04408	0.4
109.02824	0.7
111.00790	1.9
111.04345	0.3
125.02359	0.2
127.03866	0.8
129.04593	0.3
129.05464	3.6
135.40649	0.2
137.02332	1.2
145.04938	0.4
147.06485	0.9
153.01808	7.5
153.05334	0.3
165.01813	3.1
166.02591	0.5
179.03369	1.2
183.02861	0.9
189.05495	0.5
193.08327	0.2
195.02885	0.7
203.03319	0.4
217.04932	2.2
221.04425	0.3
227.03436	0.2
229.04865	0.4
235.06015	0.3
245.04443	3.7
255.02829	0.6
263.05566	0.7
273.03900	4.2
290.04230	1.2
292.17868	0.2
297.04022	0.2
301.03354	1.3
303.05011	1.4
319.04453	100.0
320.04758	3.2
329.02795	0.6
331.04504	0.6
341.55804	0.2
343.04471	0.9
361.05530	1.1
373.05441	0.4
385.05615	0.9
411.07391	0.2
429.08215	0.3
447.09265	0.5
465.10190	0.7
481.09738	27.2
482.10165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03947	0.3
55.05482	0.3
57.03431	1.6
60.18865	0.3
61.02932	0.6
61.81578	0.3
68.99789	0.6
69.03410	1.2
69.03747	0.3
70.74986	0.9
71.04985	10.7
73.02898	0.5
75.04464	0.5
81.03416	0.6
83.04959	0.7
85.02895	14.7
94.26955	0.3
97.02892	1.5
109.02876	0.8
111.00760	1.5
111.04381	0.4
121.43222	0.3
127.03886	1.2
129.05467	3.4
137.02307	1.2
145.04991	0.7
147.06493	0.9
153.01794	5.9
165.01831	2.2
166.02638	0.3
167.68564	0.3
179.03326	0.8
183.02870	0.8
195.02901	0.7
203.03325	0.4
217.04927	1.7
221.04480	0.3
224.59045	0.2
227.63799	0.3
229.05031	0.3
235.02573	0.3
235.05927	0.3
245.04439	3.0
255.02852	0.5
263.05588	0.6
273.03931	3.5
290.04211	0.7
301.03342	0.7
303.04987	2.3
319.04446	100.0
320.04803	1.8
326.23233	0.4
331.35883	0.3
361.05359	0.3
481.09537	0.7
495.40991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01863	0.5
55.05511	0.1
56.26432	0.1
57.03420	0.5
61.02922	1.0
63.21434	0.1
63.43884	0.1
65.03916	0.2
65.50278	0.1
67.25676	0.1
68.99469	0.1
68.99787	0.4
69.03064	0.1
69.03423	2.2
70.03574	0.2
70.03996	0.2
70.06570	0.2
71.01344	0.1
71.04983	0.6
73.02897	0.3
81.03403	1.2
83.01336	0.1
83.04930	0.1
85.02895	7.1
87.04446	0.4
91.03938	0.4
93.03410	0.2
95.04962	0.2
97.02264	0.2
97.02880	2.6
99.04440	0.4
101.02361	0.1
109.02869	1.0
111.00787	0.9
121.02861	0.8
123.04400	0.3
127.03047	0.1
127.03908	1.6
135.04399	0.2
137.02321	3.0
137.03395	0.2
139.03880	0.2
140.16083	0.1
145.02826	0.1
145.04932	1.3
145.06033	0.1
145.06609	0.1
147.04384	0.1
149.02325	0.4
151.03773	0.1
153.01805	2.9
155.04837	0.1
159.04356	0.1
161.05910	0.2
163.03929	0.4
165.01819	1.8
166.02573	0.2
171.02893	0.1
173.05945	0.2
177.05502	0.2
183.02859	0.8
183.04390	0.2
187.03859	0.3
191.03444	0.1
191.07027	0.1
195.02902	0.2
201.05449	1.2
205.04944	0.2
207.02922	0.1
211.04005	0.1
213.05467	0.2
215.03421	0.1
217.05115	0.1
219.02985	0.1
219.06578	0.2
228.04141	0.1
229.04939	3.2
232.03822	0.1
239.12169	0.1
245.04482	0.1
247.06000	0.8
257.04407	2.5
258.04636	0.1
273.03821	0.1
274.04770	0.6
275.05389	0.2
285.03903	1.2
303.04950	100.0
304.05273	2.4
319.04471	1.5
345.06088	0.1
424.18164	0.2
447.08276	0.1
465.10248	9.1
466.10413	0.2
481.09842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1544
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
55.01855	0.4
55.05488	0.3
57.03436	1.5
57.03676	0.3
59.14591	0.2
61.02908	0.6
68.99785	0.3
69.03426	1.1
70.97097	0.3
70.97437	0.4
71.01342	0.3
71.04985	11.2
73.02898	0.6
75.04460	0.8
81.03399	0.8
83.04971	0.5
84.13818	0.2
85.02895	16.8
86.22222	0.2
87.04459	0.2
91.03897	0.3
95.04973	0.2
97.02886	2.1
99.04476	0.3
109.02871	0.5
111.04430	0.4
117.05522	0.2
121.02857	0.5
123.04441	0.2
125.02384	0.3
127.03905	1.1
128.70029	0.2
129.05478	4.4
135.04388	0.2
137.02322	2.9
145.04948	1.0
147.06479	1.2
153.01817	1.3
165.01797	0.5
169.01318	2.2
171.02916	0.3
171.04314	0.3
175.03944	0.3
180.03946	0.2
181.01329	0.8
189.05475	0.4
193.12199	0.3
199.03883	0.8
212.20688	0.2
217.04909	0.8
227.03351	0.5
228.04391	0.2
229.04970	0.2
245.04433	2.4
255.02971	0.3
263.05466	0.5
273.03891	2.4
274.04361	0.3
285.04041	0.2
285.16837	0.4
287.05371	0.2
290.04144	0.6
300.06009	0.3
301.03394	2.2
301.06335	0.3
302.03723	0.9
303.04984	6.6
317.06342	0.4
319.04449	100.0
320.04773	1.7
341.06787	0.2
343.04483	0.3
447.09030	0.3
465.10361	0.9
481.09903	1.0
532.34583	0.2
641.65057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
53.92024	0.4
55.01861	2.4
55.05506	8.9
57.03432	1.5
58.08436	0.6
65.03928	0.9
66.81642	0.5
67.05499	7.5
68.99789	2.0
69.03420	2.0
69.07060	4.6
71.01350	1.6
71.04979	0.5
71.61824	0.7
71.62227	0.6
73.02900	1.0
73.78771	0.5
79.05486	11.7
81.03414	1.5
81.07047	11.8
83.04979	4.6
83.08614	2.1
85.02885	2.8
91.05469	8.5
93.07034	7.9
95.01341	0.7
95.04954	3.2
95.08595	6.4
97.02879	1.1
97.06532	1.5
97.10154	0.5
98.60558	0.6
99.08112	0.6
102.88245	0.5
103.05487	0.8
105.07024	7.4
107.04926	1.6
107.08585	14.7
109.02909	0.6
109.06513	3.6
109.10148	3.3
111.00780	3.1
111.08089	2.0
113.02395	0.9
117.07000	1.8
119.04924	0.6
119.08569	7.5
121.06477	1.3
121.10120	6.6
123.04456	0.9
123.08048	4.3
123.11668	1.4
125.09608	3.3
127.03915	1.4
129.07025	1.1
131.03377	1.0
131.04962	0.6
131.08546	4.7
133.06482	0.9
133.10091	3.1
135.08041	1.4
135.11649	3.5
137.02296	0.7
137.05968	0.6
137.09573	0.7
137.13257	0.6
139.03882	2.1
141.01808	1.1
141.07056	1.2
142.07770	0.7
143.08545	1.7
145.10124	3.9
147.04420	1.9
147.08080	1.1
147.11740	2.8
149.02435	0.8
149.09593	5.4
149.13263	1.3
151.11160	0.7
153.01810	43.5
155.08548	1.5
156.09354	0.8
157.10062	2.6
159.08084	0.8
159.11699	3.4
161.05937	0.8
161.13234	1.4
163.03897	3.8
163.14835	0.9
165.01883	3.0
165.09140	0.6
167.07050	1.7
167.08418	0.5
169.06372	0.6
171.02962	1.2
171.04314	0.7
171.08083	0.7
171.11708	1.9
173.05988	1.3
173.13277	1.7
175.03896	3.0
175.07591	0.8
175.14755	1.3
177.05515	1.5
177.12794	1.3
179.03371	0.7
181.01288	0.6
181.06551	0.8
181.10207	1.5
182.10785	0.7
183.11664	1.2
185.05890	1.1
185.13226	1.3
187.03944	1.2
187.07439	0.6
189.05414	3.1
189.16383	1.4
191.03426	2.2
191.10770	0.6
193.04910	0.7
195.02869	1.3
195.11636	0.9
197.05959	0.7
197.13275	1.3
199.03833	0.8
199.11150	0.9
199.14784	1.4
201.05504	1.9
201.12750	0.9
201.16435	1.1
203.03409	3.9
203.05069	0.8
203.06989	1.4
205.04976	1.3
207.02791	0.6
207.11771	0.6
209.05995	0.9
209.09627	0.6
209.13367	0.7
211.11165	0.7
211.14845	0.8
213.05481	1.4
215.03415	4.1
215.07028	1.3
215.14488	0.6
217.04971	2.3
217.08336	0.8
219.02866	6.7
221.13304	0.6
225.05403	1.1
225.16248	0.7
229.01343	0.9
229.04967	2.3
229.19560	2.7
231.02957	1.0
235.14728	0.9
237.09158	0.7
237.16388	0.9
239.10689	0.8
241.04984	1.2
241.08461	0.7
241.19617	0.7
243.02858	5.5
243.06535	1.8
243.13783	1.8
245.04596	1.1
245.11584	0.7
249.09061	0.7
251.10680	0.8
251.18007	1.6
253.04967	3.2
255.06561	1.0
255.10172	0.9
255.21103	0.8
256.10736	0.8
256.21631	0.7
257.04419	2.6
257.22568	1.7
258.05341	0.9
259.05951	1.7
261.16443	0.9
265.19711	0.8
267.06741	0.9
267.10120	1.4
269.04492	2.4
269.11823	0.8
271.02396	0.7
271.06122	2.4
275.05414	0.8
277.08459	0.7
279.17426	0.9
281.04514	3.9
281.07300	0.7
281.11554	0.7
282.05200	1.3
283.05981	1.1
285.03961	2.3
285.11276	0.9
286.04749	2.4
287.05447	1.0
289.03464	1.6
293.04706	0.6
295.06064	1.5
295.09625	1.4
297.03952	2.0
297.11264	0.8
297.18436	1.1
298.04706	0.9
299.05496	3.8
301.03455	2.2
303.04877	1.3
309.03949	1.4
310.04816	1.3
311.05539	2.1
313.03546	3.8
313.10605	0.8
314.04156	2.0
315.04974	2.0
317.02869	0.9
319.04572	4.1
323.05582	1.1
323.09128	2.0
326.03931	0.8
327.04968	12.4
327.12109	0.8
329.02859	10.1
329.06381	0.7
331.04437	5.7
335.05453	0.9
337.03506	1.0
338.04211	1.2
339.05035	3.6
341.06577	1.4
343.04462	5.6
351.04950	1.2
353.02856	0.9
353.06628	0.9
355.04456	46.4
356.05029	1.3
357.06033	1.8
365.06436	1.2
365.13907	0.9
369.06183	1.8
375.12286	0.7
379.11557	0.7
387.30353	5.3
393.13254	2.0
405.31375	3.2
411.14230	2.0
415.29861	1.3
421.12704	3.6
433.31064	4.7
439.13834	13.6
449.12238	8.2
453.11786	2.0
463.13620	1.0
465.11441	0.7
467.13351	100.0
468.13690	2.8
471.12683	4.9
479.13123	1.8
481.15210	1.6
485.14386	19.8
493.14740	2.1
497.14230	2.0
509.14529	1.6
511.16046	2.9
527.15179	1.3
565.71167	0.7
573.21088	3.5
581.34662	1.9
591.22174	16.5
592.22491	1.2
599.35968	1.2
609.23273	43.7
610.23761	1.6
627.24121	13.0
627.35071	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	627.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
63.49452	1.0
65.78621	0.9
67.05499	4.5
69.03432	1.5
69.07050	1.1
79.05491	4.3
80.57838	0.9
81.03397	1.3
81.07050	4.5
83.05004	1.8
83.08602	1.0
91.05457	2.9
91.74860	0.9
93.07040	3.5
95.04967	1.0
95.08625	2.3
98.21495	3.8
105.07026	2.9
107.08574	1.9
109.06412	0.9
109.10168	1.6
111.04400	1.2
116.98573	1.1
122.06059	1.0
129.07114	0.9
131.08571	1.1
133.10124	1.1
136.07571	1.6
143.08545	1.2
157.10182	1.3
174.09158	3.9
183.11754	1.3
187.12415	5.2
188.10722	2.6
189.07603	1.4
199.08528	1.4
211.08707	1.6
215.11850	3.0
224.09338	1.3
225.10246	2.7
227.11710	2.4
230.05602	1.4
235.08730	1.5
239.08269	1.0
239.11810	2.6
241.13391	3.1
243.11269	26.6
249.10275	1.2
251.11900	1.2
252.09544	1.0
253.06203	0.9
253.09479	1.4
263.11929	1.2
267.11264	6.3
269.12918	2.7
277.09680	3.1
285.12415	1.8
291.11313	1.5
295.10843	3.4
301.15616	2.8
309.12488	1.3
314.12488	1.0
316.14557	1.0
319.10483	1.2
323.65781	1.1
325.15549	8.8
327.13577	2.2
328.10953	1.5
328.14478	1.6
329.11514	1.5
330.12488	3.1
334.15277	1.8
342.12524	3.3
343.13196	2.7
344.13821	2.8
346.15518	2.1
348.13416	4.8
356.13971	4.1
358.15549	4.0
360.17200	1.3
368.13657	1.3
370.15756	1.7
372.17072	5.1
374.14874	1.3
374.19058	2.1
386.14987	2.9
386.19128	1.3
400.16693	3.7
403.15811	1.7
412.16629	1.1
418.17578	1.7
422.17648	1.4
431.18442	1.1
432.19171	4.2
437.19928	2.2
445.19888	1.3
447.22253	2.1
450.16418	2.2
451.16907	1.4
460.18976	2.1
461.23837	2.4
462.24619	2.2
463.21252	3.3
465.18951	15.0
466.19019	1.4
473.19910	1.2
477.19431	2.9
478.19824	1.9
479.20538	8.1
480.21262	5.7
481.22485	3.5
485.30688	1.1
489.23141	1.9
490.20389	1.7
491.21115	1.3
492.21558	2.7
493.22592	5.3
494.22745	1.5
504.21356	3.3
507.24207	5.7
508.21323	3.2
517.22064	2.0
520.21051	1.4
521.25500	1.6
535.23273	8.2
549.24890	14.9
552.23444	1.5
553.24609	2.1
567.25946	86.0
568.26392	4.1
574.10730	1.2
577.23914	1.3
595.25433	100.0
596.25787	3.3
604.32397	1.5
627.28033	64.5
627.44995	2.5
628.28748	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	627.2804
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.47071	0.4
55.05497	1.0
57.03431	0.5
67.05490	1.5
70.00481	2.2
79.05486	1.3
81.07049	1.4
81.86308	0.4
86.58579	0.4
91.05477	1.2
93.07033	1.4
94.06560	0.6
95.04959	0.6
95.08601	0.8
105.07014	1.0
105.68105	0.4
106.06584	0.5
107.08627	0.6
109.10174	0.5
117.07037	0.4
119.08595	0.5
120.04441	0.6
129.06998	0.5
131.07314	0.8
131.08472	0.5
133.10068	0.6
134.06000	0.5
136.07599	1.4
138.09122	0.5
144.08073	0.6
146.06027	0.5
147.11662	0.7
158.08401	0.5
160.11198	0.4
172.07637	0.6
172.09946	0.5
174.09143	3.4
186.09149	0.8
187.08691	1.3
187.12254	3.5
188.10724	1.5
197.07143	0.6
197.10612	1.0
198.09312	0.6
199.08597	0.8
199.12268	0.5
211.08722	1.3
212.09256	0.7
213.10284	0.9
215.11748	2.0
223.08681	1.0
224.09363	1.0
225.10175	1.9
226.10835	0.5
227.08171	0.5
227.11711	3.0
235.08708	0.4
237.10234	0.9
239.11725	1.9
241.09879	0.4
241.13322	2.4
243.11272	17.7
249.10196	1.0
251.11758	0.9
253.09755	1.2
255.11317	0.6
261.10251	0.6
263.11984	0.6
265.09711	0.9
267.11267	6.3
269.12851	1.4
275.11462	0.4
277.09784	1.9
281.12799	0.7
284.11810	0.5
285.12280	2.4
291.11151	0.8
293.12750	0.7
295.10733	2.5
299.14005	1.7
301.15372	2.7
302.12952	0.5
306.12488	0.5
309.12476	1.5
311.14090	0.7
314.13043	1.5
315.13727	0.8
316.11142	0.7
316.14420	1.0
318.12561	0.6
319.04541	0.6
319.10809	1.1
320.14365	0.7
323.13995	0.5
325.15500	6.5
327.13406	4.8
328.10764	1.2
328.14609	1.2
329.11572	1.0
330.12350	1.7
330.16080	0.9
331.13443	0.7
332.13922	0.5
334.15640	0.9
336.13507	0.8
342.12433	3.1
342.16022	0.8
343.13116	2.0
344.13943	2.9
344.17780	0.8
345.14612	0.9
346.15579	1.1
348.13382	2.7
351.13254	1.2
355.13382	1.0
356.10263	0.6
356.13940	3.0
356.17706	0.6
357.14761	1.7
358.15503	2.6
359.16696	0.5
360.17245	0.7
366.12485	0.5
368.14023	0.6
370.15552	2.2
371.16333	0.8
372.17126	3.6
374.18884	0.7
378.16074	0.5
384.13101	0.7
384.17181	1.2
385.17722	0.6
386.14935	1.8
386.19144	1.0
398.14990	1.1
400.16544	2.6
402.18472	0.6
403.16196	1.1
405.16861	0.6
407.15085	0.9
412.16635	0.7
416.15979	0.6
418.17545	0.8
419.18839	0.9
420.16663	0.6
421.16910	0.6
422.17719	1.1
423.18268	0.6
430.17538	1.1
431.18567	1.3
432.19415	2.6
433.20129	1.0
435.14047	0.9
435.18814	0.7
436.19711	0.5
437.19650	1.2
444.19214	1.2
445.20560	0.5
446.21060	0.8
447.21973	1.8
449.15375	0.8
449.20425	0.9
450.16855	1.3
451.17609	1.6
452.22183	0.6
460.18716	0.8
461.23434	1.0
462.23938	1.8
463.21887	3.0
464.18262	0.8
465.18726	10.8
466.19684	0.8
472.18610	0.6
474.20056	0.6
475.19516	0.5
476.19180	0.7
478.19995	1.3
479.20676	4.9
480.21735	3.6
481.22281	2.9
489.23010	0.6
490.20535	1.6
491.20734	1.0
492.21429	2.1
493.23026	3.1
494.22803	1.0
495.16724	5.0
504.21469	2.2
505.21777	0.7
506.23352	0.9
507.23944	4.3
508.21399	0.8
517.22449	1.4
520.21179	1.2
521.25452	0.8
527.19708	0.5
529.37549	0.7
535.23419	5.8
537.21539	0.8
539.26544	0.6
541.23901	0.7
549.24915	8.2
552.23907	0.8
553.24396	1.3
563.23077	0.7
567.19452	2.3
567.26038	46.7
568.26367	2.6
569.20490	0.6
577.24756	1.2
585.19250	0.6
595.25458	33.7
596.25684	0.8
599.28748	0.7
609.27368	0.8
627.28076	100.0
628.19995	7.6
628.28900	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	627.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84992	0.3
52.89320	0.2
56.96751	5.5
64.68027	0.2
69.80216	1.3
71.95098	1.2
71.95546	0.4
72.95937	0.5
72.96310	0.3
74.97466	1.1
79.05357	0.3
84.95869	1.1
92.98495	0.4
97.96664	1.1
97.99059	0.3
98.21232	0.7
98.97437	0.6
110.97545	1.7
115.97659	1.4
116.98463	0.6
123.00983	0.7
124.17305	0.2
124.67239	0.2
128.98418	6.7
128.99442	0.5
131.00023	0.4
133.98691	1.0
134.85474	0.2
134.99512	0.5
137.02559	0.6
137.03552	0.2
141.02048	0.6
142.99980	0.4
146.99632	9.7
152.00011	0.5
155.03555	0.8
159.03111	0.3
161.01187	2.6
161.04665	0.8
165.00705	2.4
167.03548	0.2
169.05208	0.7
170.01048	1.0
170.02382	0.3
171.03091	0.9
173.04774	0.4
175.02600	0.7
179.02248	1.1
179.05756	0.3
183.03117	0.4
183.06743	0.4
185.04688	0.7
188.03485	0.4
189.04317	1.9
190.04967	0.9
191.03734	0.3
191.05719	0.3
193.03749	0.6
194.04520	0.2
201.04262	0.4
203.05878	1.6
204.06520	0.3
205.07327	0.3
207.05154	0.4
208.05989	0.7
209.08511	0.2
217.07309	0.7
221.06627	0.3
221.08508	0.3
222.07614	0.4
223.08301	0.5
227.05806	0.4
227.09409	0.7
235.10106	0.3
237.09933	0.3
239.09444	0.4
241.11060	1.7
243.08896	0.3
245.08281	0.5
245.10463	1.0
249.07852	0.3
252.10258	1.2
253.10690	0.3
255.08875	0.3
258.11179	0.4
259.12106	2.0
263.09531	3.7
264.10117	0.5
265.10901	0.7
270.11407	1.5
273.13739	0.4
275.12219	0.3
277.10931	0.8
281.10529	1.2
282.11194	0.5
283.11874	0.4
285.11319	0.3
286.11246	0.3
289.10977	0.4
291.12585	0.3
295.11987	0.6
303.12646	1.9
313.14609	0.8
315.16245	37.8
316.16675	0.8
317.14203	0.6
321.13626	0.9
326.14310	0.4
331.15750	2.5
333.17307	100.0
334.17670	2.7
349.16779	0.7
351.18369	67.1
352.18729	1.4
353.18616	0.3
354.17548	0.6
356.18903	16.0
357.19315	0.6
369.19391	2.1
374.20007	11.0
375.20651	0.4
397.21851	0.6
434.31882	0.2
441.07422	0.2
591.37238	3.3
609.38751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20982	1.1
53.00279	1.3
53.03935	3.8
55.01863	16.7
55.05501	31.8
57.03428	7.0
57.07061	4.3
59.04985	1.4
65.03477	0.9
65.03932	5.5
66.97697	1.1
67.05495	86.6
69.03414	3.8
69.07058	28.7
71.04961	5.5
71.08636	1.1
71.53854	1.7
71.55894	1.0
77.03908	2.0
79.05482	63.8
81.03401	2.9
81.07045	100.0
83.04968	6.9
83.08607	16.4
85.06530	6.1
91.05468	53.2
93.07030	67.0
95.04963	16.3
95.08595	58.3
97.06515	19.8
97.10160	9.0
99.08059	2.6
103.05506	1.3
103.20827	1.0
105.04501	2.2
105.07013	51.1
107.04939	11.2
107.08578	36.7
109.06495	13.8
109.10148	30.3
109.10904	1.5
109.33981	1.0
111.08080	5.4
117.07014	18.2
119.08567	41.5
121.06512	3.6
121.10127	30.9
123.07250	1.2
123.07993	5.2
123.11691	10.7
125.09614	6.3
128.06131	1.4
129.06982	7.8
130.29485	1.0
131.08551	26.5
133.06477	1.4
133.08582	1.8
133.10112	28.3
135.08060	5.6
135.11665	14.4
137.09595	4.0
137.13246	2.3
139.11194	2.7
141.06967	2.7
142.07782	2.0
143.08521	7.7
145.10100	26.2
147.08018	2.9
147.11670	27.3
149.09584	17.8
149.13240	8.3
151.11180	3.4
155.08539	5.2
157.10089	8.7
159.11665	18.1
159.93289	1.1
161.09552	3.6
161.13199	8.8
163.11122	10.1
163.14853	4.6
165.12726	4.5
167.08614	1.9
169.10152	4.8
171.11644	8.5
173.09727	1.2
173.13226	9.9
175.11218	2.7
175.14842	4.2
177.12770	2.2
177.16304	1.4
179.14381	1.3
181.10110	1.6
183.11736	4.9
185.13283	4.9
187.11186	2.2
187.14848	4.8
189.11252	2.8
189.12878	1.8
189.16391	1.9
191.14299	2.0
193.12172	1.4
195.11725	1.5
197.13326	4.1
199.14827	3.6
201.16376	2.7
205.15926	1.3
207.13789	1.7
209.13286	1.4
211.14864	2.9
213.16451	1.7
215.14394	1.5
215.17953	2.7
219.17419	1.4
223.16885	1.6
225.16487	1.4
227.12820	2.7
227.17969	1.4
229.19566	4.8
233.18935	1.5
237.16344	1.4
239.18015	5.2
241.19460	1.5
243.21106	2.9
247.20555	3.7
257.19003	10.1
259.20578	3.6
261.22055	7.3
267.16003	2.7
273.18695	1.1
275.20016	66.2
277.21652	4.4
287.19949	1.5
289.21866	1.1
293.20953	5.4
317.24829	2.2
331.22891	3.0
333.24240	4.0
335.25775	38.9
349.23666	30.2
351.25577	3.0
367.24725	1.4
367.29977	1.4
505.35687	1.3
513.39618	1.6
515.37421	4.1
517.40533	3.2
529.38824	2.1
535.41327	3.9
553.42432	3.9
567.24860	6.5
591.43988	2.1
609.44995	51.0
610.45294	1.6
627.46106	71.9
628.46564	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01872	16.9
55.05500	44.1
57.03419	12.6
57.07075	4.4
65.03918	3.4
67.05496	86.7
69.03386	4.5
69.07063	31.6
69.50743	24.4
70.17064	2.8
71.04987	6.7
79.05484	72.4
81.07047	85.3
83.04974	7.4
83.08598	20.5
85.06521	5.0
91.05464	57.2
91.85295	2.3
93.07031	74.0
95.04960	11.5
95.08586	58.9
97.06499	21.6
97.10143	14.9
99.08120	4.1
105.07014	63.4
107.04947	14.3
107.08582	66.2
109.06502	6.9
109.10142	36.4
111.08095	7.0
115.05424	2.7
117.07009	19.7
119.08566	45.5
119.09348	4.4
121.06518	3.3
121.10116	30.9
123.08037	4.3
123.11682	16.5
125.09624	18.0
128.06227	4.6
129.07022	12.6
131.08548	36.6
133.10100	37.1
135.08017	4.0
135.11681	18.3
137.09581	3.8
139.11162	3.3
141.06949	7.0
143.08537	15.5
145.10091	46.3
145.11134	3.8
147.11678	19.1
149.09569	21.3
149.13248	11.8
151.11127	3.0
155.08554	11.3
157.10133	19.9
159.11670	29.2
159.12834	3.2
161.09682	4.7
161.13190	12.7
163.11166	5.7
163.14861	3.8
167.08664	2.9
169.10127	10.6
171.11627	19.5
171.87933	2.5
173.11850	4.4
173.13216	19.6
175.14830	7.7
181.10022	2.9
183.11696	10.5
185.13217	13.2
187.11232	3.5
187.13293	4.8
187.14839	12.4
189.11235	10.3
189.12791	3.8
189.16338	4.6
195.11781	4.1
197.13281	8.8
199.14825	9.9
201.16460	7.1
209.13255	6.4
211.14877	6.2
213.16356	4.2
221.13182	3.3
223.14651	3.3
225.16370	5.2
227.12740	20.7
227.17964	3.8
229.14362	3.0
229.19542	3.5
235.14825	3.1
237.16621	2.8
239.18008	5.2
241.19556	5.0
243.15990	4.1
257.18988	7.5
259.20651	6.0
261.22168	6.9
263.13763	2.9
275.20029	56.5
277.21811	3.4
315.23224	4.0
331.22397	5.5
335.25769	38.1
349.23666	23.7
351.25351	4.8
367.29947	9.4
385.31024	6.2
423.32758	3.3
515.36780	14.1
517.40417	9.7
529.38672	5.1
535.41382	11.9
553.42511	8.9
591.44025	6.3
609.45050	95.6
610.45538	4.1
627.29620	5.0
627.46094	100.0
628.46631	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	628.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.01837	0.5
55.05498	2.4
57.03426	4.7
61.02919	4.4
66.80962	0.5
67.05494	15.1
69.03407	1.4
69.06756	0.5
69.07060	5.6
70.00311	2.4
70.00717	0.9
71.04963	1.2
73.02900	2.0
75.31389	0.5
79.05479	7.5
80.07458	0.5
80.11391	0.5
81.03410	0.8
81.07043	19.2
83.04969	2.2
83.08604	4.3
85.02888	7.1
85.06507	1.2
86.09654	0.7
87.04469	0.6
90.06150	0.5
91.03940	3.4
91.05469	3.8
91.57306	0.5
93.07030	15.0
95.04955	1.6
95.08597	5.2
97.02884	2.7
97.06532	3.3
99.04433	0.8
99.08076	1.0
100.07160	0.5
105.07023	1.9
107.08583	7.5
109.06498	1.0
109.10142	0.9
111.08050	2.3
117.05424	0.6
117.06982	1.9
120.08068	0.5
121.06461	1.3
121.10130	6.0
123.11646	1.0
127.03902	2.0
131.08563	2.9
133.04930	0.6
133.10146	3.3
135.08011	0.9
135.11636	2.7
137.05997	0.8
139.11139	0.6
145.04910	1.0
147.04352	0.5
147.11662	0.7
149.13231	14.4
159.11667	6.3
163.06006	1.7
167.07018	3.4
177.09593	0.5
177.12737	3.0
181.08569	0.6
195.13739	4.5
200.13089	0.7
209.02754	0.5
235.10854	0.6
269.17435	100.0
270.17801	1.2
285.13129	0.6
413.21780	1.1
431.22818	3.2
628.25360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2237
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05569	0.7
71.63243	0.4
71.63670	0.4
77.74120	0.3
80.18147	0.3
81.07121	0.4
91.05568	0.5
93.07119	0.5
106.70282	0.4
121.10225	0.5
147.04526	0.4
335.19467	0.4
388.33636	0.4
396.12064	1.7
397.12851	1.9
398.13837	1.4
399.14679	1.2
400.15295	0.9
409.12939	0.8
410.13831	2.6
411.14508	6.5
412.15274	4.7
412.19690	0.5
413.16141	3.9
414.17099	0.8
422.13840	0.5
423.14871	2.0
424.11353	1.5
424.16525	2.2
425.16223	15.0
426.16928	9.7
427.17648	3.9
428.18494	4.3
437.16577	0.7
438.12357	3.5
438.18115	0.9
439.13602	21.9
440.13916	1.8
440.19229	7.6
441.19290	42.1
442.19656	3.4
451.18024	0.5
452.14319	3.6
453.15338	22.2
454.15781	6.0
455.16968	0.7
456.17947	1.3
457.15021	1.2
458.19949	0.8
463.14316	1.0
465.15414	0.6
466.16663	0.8
467.17191	26.9
468.17892	22.4
469.18771	12.7
470.19055	1.3
471.16251	2.2
472.17450	1.4
480.17572	0.5
481.14685	10.7
482.15866	1.6
483.16434	0.6
484.21921	3.3
485.17517	2.8
486.18988	0.9
494.17090	0.7
495.16843	2.0
495.21036	1.1
496.17172	15.1
497.16974	1.8
498.18753	2.6
499.19330	1.2
500.20761	4.6
501.21216	0.5
508.19669	1.1
509.18527	1.9
510.19724	0.7
511.17993	0.5
512.21173	3.1
513.21960	6.2
514.22186	0.9
517.21100	0.4
522.17664	0.7
523.19794	2.0
524.19080	0.5
525.21649	0.7
526.18390	1.0
528.20007	1.3
531.22528	0.8
537.18573	0.6
541.20825	44.9
542.20990	4.1
553.20703	0.6
559.21741	0.8
569.20239	100.0
570.20490	7.9
572.18854	0.9
573.23578	2.9
587.21191	1.0
597.19629	31.5
598.20319	2.6
600.21912	1.4
601.22888	15.7
602.22906	1.2
611.21881	0.6
615.20764	1.9
629.22131	96.5
630.22510	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	629.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05488	1.5
55.05494	6.0
55.09899	1.5
57.44020	1.4
58.39323	1.4
61.02912	2.0
67.05499	13.1
69.03065	2.7
69.03419	36.3
69.07051	9.8
70.82538	6.5
71.04974	5.3
73.87467	1.5
79.05482	7.3
81.07040	14.1
82.51386	1.4
83.04947	10.5
83.08611	5.0
85.02880	4.5
86.13418	1.5
91.05459	5.7
93.07043	11.5
94.15323	1.7
95.04955	2.8
95.08590	41.0
97.06535	3.4
97.10173	1.5
99.28075	1.5
105.07020	6.9
107.08586	23.3
109.10139	26.3
111.04418	10.1
111.08083	2.2
111.11681	1.9
119.08567	13.7
121.09303	2.5
121.10126	35.2
123.08048	3.4
123.11689	6.3
129.05457	19.2
131.08542	2.3
133.10107	10.4
135.11664	16.4
137.09613	2.0
137.13231	2.7
138.89714	1.5
143.08545	2.3
145.10118	4.0
147.11703	5.6
149.13211	4.5
157.10184	1.6
159.11693	5.2
161.13234	5.1
163.14807	5.4
171.11618	2.6
173.13281	2.9
175.14824	6.5
175.85461	1.5
177.12759	1.7
177.16351	4.9
187.14827	5.1
189.07529	13.2
189.16379	5.0
191.17920	100.0
197.74529	1.6
199.14778	1.9
201.16385	5.6
203.17815	8.4
213.16367	2.4
215.17813	2.1
217.19518	4.5
219.17415	9.8
227.17906	2.1
233.18976	11.3
257.22675	1.7
267.21146	1.8
313.25085	2.2
327.26727	12.3
339.26767	9.6
367.36905	1.7
392.46869	1.5
405.35028	9.0
408.32773	1.6
423.36133	28.6
425.57770	1.7
489.35480	4.5
522.10217	1.5
527.15448	2.6
611.43750	1.9
629.22186	5.6
629.45673	1.7
630.22400	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	630.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10970	1.2
55.05491	5.5
57.07068	35.5
59.04989	1.2
59.27986	1.0
67.05494	15.7
67.77802	1.1
69.03416	1.6
69.07053	3.0
69.31543	1.2
69.39146	9.6
69.39573	2.7
71.04967	1.4
71.08623	29.4
73.06545	8.2
79.05479	5.9
81.07047	8.3
83.08588	4.2
85.10173	20.8
87.04470	8.4
89.06022	100.0
91.05453	3.9
93.07047	6.3
95.04951	1.6
95.08579	4.8
97.10151	5.0
98.20840	4.1
98.21532	2.9
99.11723	4.3
105.07014	2.2
107.07045	5.8
107.08573	4.4
109.05744	1.2
109.10138	9.6
117.09138	8.6
119.08557	2.6
121.10107	3.7
129.07030	1.8
130.08615	5.2
131.07007	3.7
133.08586	55.7
133.10092	2.4
135.11644	1.6
145.10103	2.0
155.17908	4.8
157.10068	1.4
161.11729	2.7
169.10112	1.5
173.11751	1.7
177.11211	21.3
198.14847	2.2
199.20552	3.6
221.13760	3.4
239.14764	1.7
240.23122	2.1
243.23141	11.2
283.17511	3.3
287.25677	6.6
327.20166	1.5
459.27872	4.5
482.43158	1.3
489.35608	21.9
490.35956	2.7
545.38232	2.2
613.45020	11.1
630.47357	4.7
631.38800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
56.96557	2.6
57.03423	1.2
58.99839	0.6
59.04987	0.5
61.02908	0.8
69.03416	3.2
71.04977	1.1
71.60931	0.6
72.08115	0.5
73.02882	1.6
76.00349	0.4
77.00896	0.8
81.03390	1.2
81.07050	0.4
82.99894	1.4
84.96032	0.9
85.02897	6.4
86.03222	0.5
87.04440	0.5
90.10265	0.4
91.03934	0.6
91.05466	0.8
94.99815	0.7
97.02894	4.4
98.96975	0.6
98.97559	5.1
99.04462	0.8
101.00861	2.9
101.02348	0.4
103.02412	1.1
105.00302	0.5
109.02860	1.1
110.97575	1.0
113.00872	1.0
115.02387	0.6
116.98604	5.0
119.01912	17.7
119.04919	0.7
121.03468	1.2
123.01396	0.6
123.04415	1.6
127.02423	1.2
127.03913	4.2
128.98616	2.3
129.03963	0.7
131.00227	1.1
131.01903	8.7
133.03458	5.9
134.99663	3.5
135.04387	0.9
137.02969	3.4
137.05930	1.2
139.00687	0.6
139.03920	2.8
140.02287	0.5
142.03490	0.7
143.00139	0.6
143.00827	0.6
143.01884	11.4
144.01952	0.5
145.01697	0.9
145.03442	9.2
145.04919	1.8
146.02328	0.7
146.99654	3.3
147.01349	1.3
147.04408	1.9
149.01189	1.5
149.02956	2.0
151.04619	3.2
155.01872	10.3
157.01579	0.5
157.03435	4.6
158.02437	0.7
158.99657	2.3
159.03232	0.7
159.04965	1.2
161.01308	1.3
161.02945	21.3
162.03044	1.0
163.02623	0.9
163.04105	4.0
163.04350	4.1
165.00703	0.8
167.01900	2.7
169.03427	5.3
170.03519	0.5
170.99614	1.7
171.05006	3.2
173.01401	1.2
173.02946	23.0
174.03036	0.8
175.02937	0.9
175.04507	8.1
177.00737	4.2
177.02213	1.0
177.05992	0.7
179.01999	1.2
179.03674	0.6
181.01875	0.5
181.03510	1.2
182.03351	1.1
183.04968	1.1
184.04488	1.4
185.01329	0.8
185.02937	23.0
185.06519	3.4
186.02908	0.4
187.04506	40.8
188.04724	0.8
189.00711	2.9
189.06100	2.1
191.02255	1.1
191.03984	2.1
193.00142	0.5
195.01709	0.7
196.02306	0.7
196.04524	1.0
197.01208	0.8
197.02950	8.4
199.04501	11.7
200.04422	1.8
201.00751	1.6
201.06042	4.5
203.02321	1.0
203.03987	15.6
203.07591	1.0
203.81738	0.5
203.98743	0.6
204.03961	0.7
205.03760	0.8
205.05534	11.1
208.04634	1.0
209.02975	0.8
209.98587	1.1
210.06168	2.2
210.48839	0.6
211.02719	0.6
211.04500	6.8
213.06053	1.4
215.02257	0.8
215.04021	6.0
217.00319	0.8
217.05597	10.2
217.08989	0.8
219.01773	4.4
219.07147	1.0
220.04604	0.7
221.03313	1.3
221.05043	37.9
222.05148	1.1
223.04607	1.2
225.99083	0.8
226.05605	0.8
227.03984	4.6
228.07378	0.9
229.05576	23.0
231.01700	0.7
231.07069	2.3
233.05202	0.8
235.06638	1.0
237.00758	0.8
237.02817	8.3
239.04042	1.0
239.06171	1.9
241.05684	2.6
242.03317	0.6
243.01843	0.9
243.07253	0.5
244.06642	1.6
245.05057	46.4
245.99857	0.8
246.05257	1.4
246.99664	0.7
247.04506	0.5
247.06743	4.8
249.08144	0.6
252.49765	0.5
253.05804	0.5
254.05653	0.5
255.01651	0.9
255.03958	0.8
257.04892	2.2
259.06644	18.0
261.02847	2.3
261.08340	0.7
263.06174	7.8
264.06503	0.5
269.04678	0.6
270.08264	1.0
271.06625	3.2
272.06552	3.2
273.08246	2.5
275.06171	5.7
277.07663	6.4
279.03925	1.3
281.07065	0.6
286.07632	1.1
287.09885	0.9
289.07642	41.3
290.07739	0.7
291.03751	0.5
293.07227	1.1
295.08798	4.0
300.09232	0.7
303.04889	0.5
303.08963	0.6
305.07092	4.3
305.10770	1.5
307.08722	100.0
308.09015	2.5
311.06732	0.7
315.03915	0.6
321.05121	0.8
321.10361	3.1
330.10303	9.7
331.08838	0.8
333.10272	2.4
335.06329	2.1
337.09949	0.6
347.08289	0.7
349.09756	34.5
351.11212	0.8
353.07513	2.8
361.09729	4.8
362.09592	0.8
365.09274	5.3
367.10162	0.5
370.10056	0.8
373.09119	0.6
379.10855	16.7
381.07172	0.7
383.09793	0.6
391.10782	0.9
395.08688	1.2
403.10895	0.8
407.04135	0.5
409.11902	19.2
421.11835	0.9
422.56161	0.5
425.11298	1.3
433.11972	3.7
439.12747	2.0
441.08942	0.6
451.07263	0.8
451.12973	13.0
469.14096	19.3
571.14636	0.7
613.15228	1.2
629.63153	0.5
631.19128	19.2
632.19000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60570	0.3
53.03942	0.7
54.96345	0.3
55.01863	2.3
55.05507	5.0
56.05016	0.5
57.03426	0.7
57.98772	0.5
58.99311	0.6
58.99579	6.6
65.03908	0.5
67.05495	6.5
68.05025	0.3
69.03431	0.8
69.06714	0.4
69.07062	7.0
70.02964	0.5
70.89349	0.6
70.89688	0.6
71.04988	0.9
72.04980	0.3
73.01117	0.4
74.00666	2.2
76.02219	24.3
76.03989	1.8
79.05478	6.1
80.05011	1.8
81.03403	1.5
81.06566	0.6
81.07048	11.5
82.06575	0.6
83.04978	2.1
83.06094	2.7
83.08601	2.7
84.04494	10.5
85.01128	0.5
85.02903	0.6
85.04015	0.8
86.00642	1.4
86.99058	2.1
87.02711	0.5
88.02216	1.1
91.05466	5.4
93.07035	4.5
94.06561	1.0
95.04982	2.0
95.08591	3.7
96.04472	0.6
97.01122	1.6
97.02857	0.8
97.06487	1.9
97.10160	4.9
98.00626	0.7
99.02680	0.3
99.05579	1.3
100.02187	0.8
102.03712	0.3
105.07030	3.7
106.06544	0.7
107.04942	2.0
107.08588	4.7
108.04478	0.7
109.02881	0.8
109.06494	2.6
109.07620	0.7
109.10136	2.6
110.06034	0.7
111.02663	1.7
111.04415	1.3
111.08064	1.3
112.02168	3.3
113.00581	2.5
113.02964	0.6
113.04233	0.6
114.03751	1.4
115.02124	0.6
116.01665	11.5
117.07026	2.0
119.08582	3.9
120.08055	0.6
121.06528	1.1
121.10128	1.5
122.06034	0.5
123.01399	0.7
123.02638	0.5
123.04409	0.7
123.08057	2.1
124.02174	4.3
125.00588	0.5
125.04173	0.5
125.09631	3.8
126.03740	3.3
127.02143	0.7
129.06638	2.9
130.04979	4.9
131.04504	0.5
131.08562	2.2
133.04367	0.3
133.10117	2.5
134.09596	0.4
135.02620	0.9
135.08025	1.9
135.11707	1.5
136.02144	0.9
137.04176	0.7
137.09599	1.3
138.03683	1.2
139.02170	0.7
139.03168	0.8
140.01613	1.1
140.05386	0.5
141.04778	1.2
142.03201	3.4
142.04988	0.4
143.08522	0.8
144.01134	4.9
145.06078	2.2
145.10089	1.8
146.09637	0.6
147.08018	1.6
147.11656	0.6
148.11180	0.5
149.02974	0.4
149.04143	0.5
149.09615	0.8
150.03650	0.7
151.05748	1.6
151.07558	0.5
151.11160	0.7
152.01637	1.1
153.03662	0.5
153.06537	0.6
153.09071	0.6
153.12721	2.2
155.08205	1.2
157.10135	0.5
159.08049	1.4
159.11694	0.5
160.11215	0.6
161.09641	2.1
162.02190	10.3
162.03551	0.7
163.02103	0.4
163.05774	0.5
163.07552	1.1
163.11160	1.9
164.10739	0.5
165.07361	0.6
165.09064	0.4
166.03160	0.4
166.06837	0.4
167.08760	0.4
169.06845	0.7
169.10109	0.3
170.02695	1.6
170.11766	0.6
171.10251	0.5
173.06047	0.3
173.09627	0.5
173.11864	0.4
175.05739	0.9
175.11176	0.6
176.05414	0.4
177.03253	2.9
177.07341	1.3
178.12282	0.7
179.04826	11.7
179.10590	0.3
181.06107	1.0
181.12212	1.4
183.11636	0.4
185.03748	2.8
187.05362	3.1
188.03801	0.5
189.03291	0.7
189.09152	0.3
189.11211	1.5
191.10641	0.8
192.08356	2.3
193.06866	2.3
193.12273	1.6
194.10023	2.5
195.08386	0.7
196.11520	0.5
199.07042	0.8
202.12302	0.6
204.08423	0.5
205.06700	0.6
207.08376	0.4
208.11575	0.7
211.11110	0.4
215.04861	0.8
217.06625	0.4
218.09950	0.4
219.08319	1.2
222.09508	1.7
224.11038	1.5
225.09457	0.8
227.12663	2.3
229.06480	0.5
230.12100	0.7
231.04333	5.2
233.05869	6.6
236.11035	1.7
238.12624	1.5
239.12856	0.5
240.10541	3.9
241.11301	1.1
242.11993	2.1
244.13463	0.4
245.05931	1.1
250.12582	0.6
254.11832	2.0
256.13580	1.0
260.11035	0.4
261.18384	0.7
266.12112	3.5
268.13623	0.5
271.16913	0.6
275.14642	0.4
278.12082	2.7
284.13077	1.2
289.17935	6.4
289.20963	0.3
290.07864	0.4
291.19504	0.5
293.15735	0.5
294.11731	0.4
297.12598	0.8
299.14160	0.5
301.16339	0.4
303.14096	1.2
307.18988	2.6
308.09106	5.3
311.14136	4.1
312.12634	0.6
318.18710	0.4
319.17191	0.5
321.15134	7.3
323.13864	0.5
329.15799	0.7
336.19952	0.5
338.18243	0.4
341.15161	0.4
343.13022	0.8
345.14752	0.7
346.18320	6.8
347.16714	3.2
351.13879	0.4
357.14713	8.2
364.19357	18.0
365.17746	6.5
369.14774	2.9
374.17755	0.8
380.88864	0.5
382.20410	6.6
383.18793	1.2
387.15939	1.0
392.18881	1.4
400.21533	1.9
430.20340	0.5
439.22501	1.1
449.21100	2.9
450.19864	0.6
467.22064	23.2
485.23123	100.0
486.23380	1.3
503.23865	0.8
521.23254	1.0
533.23267	1.3
557.17029	0.5
557.25336	8.3
579.23438	0.5
596.26367	3.5
614.27142	2.3
615.26331	0.6
632.28375	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	633.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	10.1
59.30146	1.2
67.05484	4.6
69.03413	2.0
69.07047	2.0
74.97630	1.6
79.05487	3.9
79.94442	1.3
81.03419	4.1
81.07047	6.2
83.04956	2.3
91.05470	6.0
93.07047	4.7
95.04971	2.8
95.08627	3.0
97.06517	1.2
98.20695	2.4
102.92611	2.0
105.07037	4.3
107.08585	6.0
109.02910	1.6
109.10152	2.5
111.04490	1.5
116.51260	1.1
119.04941	8.0
119.08604	4.5
121.10147	4.7
123.08076	1.6
128.98595	2.4
131.08589	3.7
133.10135	4.8
135.11703	1.5
136.93175	2.9
137.55289	1.2
143.08586	1.2
145.10133	3.1
146.99644	2.4
147.04395	33.2
147.11708	3.0
154.94151	14.0
157.10144	1.6
159.11705	2.2
161.01221	2.5
171.04672	1.2
171.11584	2.3
172.95221	95.0
173.13257	2.3
177.95799	1.5
181.12143	1.5
185.13300	2.0
187.14824	1.6
189.04372	2.8
190.96262	75.2
195.96803	13.1
196.95335	2.8
199.14415	1.2
201.00627	2.1
203.14294	1.6
208.97293	2.2
210.96796	6.5
213.97852	8.5
214.96271	4.8
218.98509	1.4
228.97810	30.4
230.22618	2.2
233.98549	2.4
238.96361	1.7
246.98891	7.9
251.99489	4.2
280.97443	4.2
298.98639	16.4
302.18048	1.2
315.16345	1.5
316.99405	24.3
317.17862	39.3
321.99976	3.5
335.18890	23.6
335.25711	2.7
340.01175	2.0
353.19522	1.4
358.20477	10.3
373.01935	1.8
397.14594	4.8
415.14890	1.3
423.32401	1.4
451.32022	2.2
453.17084	48.2
471.18185	100.0
489.19269	6.2
494.19788	24.2
529.35779	1.4
541.18750	2.3
633.23474	68.5
633.34344	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	633.3777
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
50.68573	0.1
53.03938	0.1
55.05503	1.1
56.96563	0.3
57.07064	0.3
63.02353	0.3
65.03928	2.1
67.05494	1.4
69.03415	0.3
69.07049	0.8
69.58521	0.8
69.58925	0.2
71.79216	0.1
79.05481	1.2
79.47335	0.1
81.07047	3.2
83.04954	0.4
83.08603	1.0
89.52641	0.1
89.71082	0.1
91.05469	13.8
93.07034	2.7
95.04972	0.7
95.08592	3.8
97.06544	0.8
97.10141	0.2
98.20699	0.1
99.08093	0.5
105.07021	4.1
107.08582	4.2
109.06517	0.8
109.10141	2.2
111.04460	0.2
111.08076	0.4
115.05474	0.1
117.07008	0.6
119.04927	27.8
119.08566	6.1
119.09429	0.3
120.05193	0.1
121.06509	0.2
121.10123	2.7
123.08075	0.4
123.11683	1.0
125.09602	1.0
127.07581	0.3
128.06207	0.2
129.07002	0.4
130.07800	0.2
131.08562	2.9
133.10110	4.2
135.08063	0.2
135.11685	1.3
137.09578	0.5
137.48434	0.1
142.07797	0.3
143.08566	1.4
144.09297	0.2
145.10114	4.4
147.04388	100.0
147.11659	2.6
148.04762	0.8
149.09602	0.5
149.13226	0.9
151.07555	0.2
151.11131	0.7
154.94154	0.5
155.08569	0.4
156.09337	0.4
157.10106	1.9
158.10875	0.2
159.11668	3.5
161.09605	0.3
161.13217	2.0
163.07521	0.4
163.11285	0.2
163.14784	0.5
165.05417	0.6
167.08598	0.2
168.09267	0.2
169.10132	0.6
170.10843	0.3
171.11674	1.3
172.95230	2.1
173.13243	2.5
175.14812	2.1
177.16374	0.7
179.14258	0.3
181.10135	0.2
183.11635	0.9
184.12479	0.3
185.13231	3.5
187.14792	4.2
189.12727	0.2
189.16368	1.1
190.96257	1.5
191.14256	0.3
193.15878	0.3
195.11745	0.4
195.96796	0.3
197.13248	0.7
199.14809	3.2
201.16376	3.6
203.14294	1.6
203.17979	0.6
205.15826	0.6
207.11771	0.2
207.13942	0.1
209.13303	0.4
210.32092	0.2
210.96834	0.2
211.14748	0.9
213.16331	2.2
215.14330	0.4
215.17838	0.6
217.15872	0.8
219.13780	0.2
219.17468	0.7
221.15388	0.4
223.14853	0.2
225.16377	0.5
227.17961	0.6
228.97838	0.8
231.13808	0.2
231.17508	0.5
233.15341	0.7
237.16420	0.3
239.17996	0.4
241.19540	0.2
245.15297	0.7
246.98642	0.2
247.16974	0.3
249.14777	1.0
251.18036	0.2
253.19507	0.4
255.21075	0.2
259.16849	0.7
265.19379	0.2
271.17047	0.2
271.20435	0.2
273.18494	0.2
277.19629	0.2
279.21231	0.2
281.22632	0.1
298.98718	0.5
316.99496	0.4
317.17865	0.7
317.22583	0.2
325.21524	0.2
325.25330	0.2
327.23016	0.2
335.18933	0.4
335.23145	0.2
347.27176	0.3
365.28302	0.3
375.30820	0.2
387.30368	0.9
393.27618	0.7
405.31427	3.3
415.29712	0.2
421.30865	0.7
423.32407	1.2
433.30997	2.1
441.33502	0.3
451.26324	0.2
451.32098	2.1
453.17084	0.9
469.33203	1.0
471.18109	2.3
472.18399	0.3
494.20020	0.3
603.10889	0.1
615.36920	0.2
633.23248	1.0
633.37732	12.6
634.38342	0.4
661.00909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01855	5.2
55.05504	25.3
57.03431	6.4
57.07076	2.5
59.04987	2.2
65.03929	5.0
67.05496	100.0
67.21739	1.6
69.03420	28.6
69.07063	15.7
71.04984	7.1
71.45341	1.7
71.62157	3.7
73.66592	1.9
79.05482	39.4
81.03407	19.9
81.07048	59.8
81.07507	3.8
81.24731	1.8
83.04970	9.1
83.08607	12.7
85.02885	5.2
85.06509	3.9
88.63670	2.1
89.21331	1.7
91.05468	37.0
93.07040	39.1
94.90381	1.9
95.04966	22.1
95.08600	29.3
97.02905	5.4
97.06532	6.7
97.10161	10.2
99.04454	1.7
103.05475	1.9
105.07018	25.9
107.04964	8.5
107.08585	26.4
109.02893	6.4
109.06511	18.8
109.10141	51.9
111.04454	6.2
111.08075	5.4
113.06027	2.5
117.07005	16.5
119.04900	2.8
119.08562	25.7
121.06515	6.1
121.10127	17.6
123.04488	3.6
123.08064	5.9
123.11755	4.4
125.09637	7.8
127.03968	3.1
128.06244	3.6
129.06989	10.2
131.08546	19.0
133.06499	5.1
133.10123	16.4
135.08066	9.8
135.11702	7.6
137.05930	3.0
137.09627	11.3
141.07050	3.8
143.08537	10.6
145.06488	4.1
145.10098	17.3
147.04393	2.4
147.08017	9.0
147.11673	11.3
149.09648	7.1
149.13210	2.3
153.09100	2.1
155.08575	4.1
155.10703	2.4
157.10098	9.6
159.08090	4.4
159.11716	13.0
161.09622	6.0
161.13298	4.5
163.11192	5.2
165.09152	2.5
165.12898	2.3
167.08449	2.9
169.10107	5.2
171.11676	7.4
173.09616	3.4
173.11743	11.2
173.13295	7.6
175.11221	2.0
177.12659	2.4
181.10164	2.4
181.12155	2.1
183.11681	5.1
185.13237	4.4
189.11255	5.7
189.12756	2.5
193.12158	2.0
197.13322	2.8
199.11154	5.1
199.14766	2.8
203.14238	2.1
211.14975	2.1
213.12584	2.1
215.14273	2.0
217.15953	3.5
227.12709	2.0
229.14296	17.3
235.63922	1.9
255.17543	3.1
259.20682	3.0
261.22372	2.1
273.18530	11.3
273.21265	1.7
277.21658	3.2
289.18054	6.6
289.21454	1.8
291.19461	28.2
299.15305	2.8
299.19949	2.3
301.21555	3.7
315.23557	1.9
319.22717	3.0
327.23276	2.0
341.24872	3.4
351.22949	4.0
369.24292	7.8
387.25281	5.5
397.30347	2.2
405.26328	2.7
443.27866	4.5
461.29138	6.6
489.35791	3.9
597.37451	6.8
615.39252	11.2
633.39960	65.1
634.40277	3.1
638.22028	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47528	1.6
53.03928	5.3
55.01857	3.2
55.05500	17.6
57.03419	5.3
57.07063	2.8
59.04982	4.2
62.54778	1.6
65.03896	1.9
67.05497	100.0
69.03423	35.5
69.07063	14.0
70.02074	10.8
71.04967	3.7
79.05048	2.8
79.05483	32.1
81.03411	25.1
81.07048	47.5
83.04957	9.1
83.08618	13.4
85.02893	5.0
85.06534	2.8
91.05468	34.1
92.53643	1.8
93.07033	36.0
94.96863	1.6
95.04959	18.1
95.08600	32.9
97.02869	6.2
97.06500	4.8
97.10153	6.9
97.38683	1.9
99.04459	2.7
105.07024	23.2
107.04948	2.8
107.08583	23.2
109.02853	6.4
109.06511	7.6
109.10152	58.5
110.18147	2.0
111.04419	6.2
111.08069	5.8
117.06985	15.9
119.08566	24.6
121.06489	4.5
121.10126	17.1
123.08076	4.7
123.11707	4.0
125.09654	4.7
127.03921	3.9
129.07002	9.4
131.04878	3.0
131.08556	19.4
133.06453	4.9
133.10109	17.0
135.08049	3.3
135.11667	10.3
137.09576	6.9
139.11169	2.8
141.06950	3.7
142.07715	2.7
143.08578	9.7
145.06442	3.3
145.10104	14.0
147.08002	3.9
147.11684	10.0
149.09599	5.2
149.13211	5.1
155.08487	5.4
155.10689	2.9
157.10083	7.4
159.08055	4.4
159.11676	11.7
159.78195	2.0
161.09590	3.5
161.13232	5.5
169.10077	5.1
171.08035	2.8
171.11647	7.3
173.09483	3.3
173.11722	16.9
173.13295	5.7
175.11287	2.7
175.14862	3.6
177.12828	2.1
179.10629	2.4
179.14182	2.4
183.11699	4.0
185.09630	2.9
185.13258	5.1
187.14781	3.5
189.11226	4.1
191.14275	2.1
193.12206	4.4
197.13255	3.3
199.11064	3.0
199.14763	3.5
209.13316	2.9
213.12675	2.6
229.12305	2.8
229.14305	20.2
229.92853	2.0
233.15399	2.3
239.17867	2.0
259.20493	4.6
273.22095	2.7
275.19983	2.6
289.18332	2.3
291.19751	2.9
291.23041	2.3
299.14896	2.4
301.21695	6.6
315.23358	4.0
319.22827	2.6
319.80197	2.0
331.26227	2.5
345.24292	2.7
351.23148	6.8
357.24426	2.4
369.24249	14.7
387.25223	8.2
433.29758	1.9
443.28058	4.7
461.28705	9.3
547.35931	2.0
597.37695	6.3
615.39105	12.1
633.39746	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	634.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
57.03418	0.1
58.88837	0.1
67.05502	1.2
68.05826	0.3
69.03408	0.3
69.07046	0.4
69.55621	1.0
78.52104	0.1
79.05480	0.6
81.03402	0.2
81.07047	0.9
83.04960	0.2
91.05448	0.4
93.07018	0.5
95.04958	0.2
95.08613	0.6
96.08938	0.1
97.10131	0.1
98.10545	0.1
98.98444	2.1
105.07008	0.4
107.08568	0.3
109.10157	0.6
117.06989	0.1
118.06535	0.9
119.08567	0.3
120.08788	0.1
121.06483	0.1
121.10175	0.3
121.36459	0.1
124.99989	6.3
130.06508	0.1
131.08604	0.3
132.08046	0.4
133.08867	0.1
133.10161	0.2
134.10503	0.1
135.11763	0.1
144.08058	7.5
145.08888	0.2
145.10106	0.2
146.09593	0.3
147.04425	0.2
147.08087	0.1
147.11653	0.1
148.04796	0.1
149.34406	0.1
158.09616	2.8
159.10425	1.6
160.11197	0.6
162.09189	0.1
163.83716	0.1
172.11194	2.5
173.11909	0.5
173.13231	0.2
176.14331	10.0
177.14748	0.2
186.12718	0.3
202.15887	81.3
203.16229	1.2
220.16936	9.2
300.13556	100.0
301.13916	1.5
374.17252	0.1
498.61496	0.2
616.37738	1.5
634.38611	4.8
635.38629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01873	4.1
55.05259	1.1
55.05505	14.6
57.03421	2.0
59.34959	0.6
65.03906	1.1
67.05497	15.0
69.03421	4.0
69.07059	8.6
70.72152	2.2
71.04976	1.2
79.05487	19.3
79.05949	1.4
81.03398	3.3
81.07048	31.6
83.04984	5.2
83.08614	7.7
85.06524	1.5
91.05473	12.2
93.07038	15.7
95.04958	9.7
95.08601	8.5
97.02871	1.3
97.06503	2.2
97.10158	12.5
105.03319	0.8
105.07018	9.2
107.04962	6.1
107.08585	8.8
109.06531	5.8
109.10143	4.4
109.98692	0.7
111.04424	3.5
111.08058	2.1
112.67659	0.8
115.05447	1.0
117.06995	8.1
119.04835	0.8
119.07786	1.3
119.08576	16.0
121.06499	5.9
121.10130	6.2
123.04392	0.9
123.08047	4.0
125.09595	8.3
129.06989	3.0
130.07722	1.2
131.08546	7.1
133.06468	2.8
133.10123	4.0
135.08038	4.9
135.11646	3.5
137.09581	2.1
139.11179	0.9
142.07750	0.9
143.08516	3.8
145.06454	1.6
145.10127	11.2
147.08057	9.4
147.11639	3.0
149.09619	5.2
153.09082	3.1
153.12735	1.4
157.10187	3.8
157.11382	0.7
159.08011	1.6
159.11674	3.0
161.09615	5.1
163.11137	6.3
165.09074	3.1
171.10225	0.8
171.11664	2.4
173.09581	2.3
173.13226	1.3
175.11157	2.1
181.10025	0.7
181.12206	1.3
183.11636	0.8
185.09578	0.8
185.13200	1.8
187.11086	1.0
189.11200	7.1
191.10645	3.0
193.12250	1.8
205.12260	1.0
213.12814	1.0
223.13257	7.2
227.12720	2.9
227.17836	1.4
237.16423	1.1
245.18956	2.4
249.14835	3.8
255.17421	3.2
273.18472	27.0
275.19965	2.0
289.17847	2.5
291.19513	100.0
292.19727	5.2
293.21301	1.1
308.12103	0.8
309.20502	3.0
320.04623	0.8
371.76120	0.7
581.38330	8.2
599.39258	4.1
634.40192	1.7
635.41016	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	635.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01854	0.5
56.36013	0.2
67.01856	3.1
68.99780	3.2
69.03423	1.7
70.96407	0.2
70.96728	0.3
71.04977	0.4
72.55067	0.2
74.06049	0.2
81.03398	0.5
83.01314	0.3
85.02873	0.5
91.05469	0.3
93.80271	0.2
97.02879	1.1
107.14844	0.2
109.02858	0.6
111.00777	1.6
111.04424	0.2
112.98009	0.2
115.05436	0.2
117.06911	0.2
121.02836	0.6
123.04404	0.3
125.02327	0.3
126.03142	0.2
127.03889	1.3
131.04904	0.2
137.02312	2.0
139.03871	1.1
147.04388	0.4
149.02246	0.3
151.03833	0.2
153.01804	83.0
154.02164	0.8
163.03877	0.7
165.01837	1.7
166.02614	0.7
171.02882	3.4
171.04370	0.6
175.03868	0.4
176.04680	0.3
177.05446	0.6
179.03296	0.9
181.01289	0.6
183.02843	0.6
183.04350	0.4
187.03860	1.1
188.04669	0.2
189.05487	0.6
191.03387	1.1
192.04117	0.2
193.01416	0.3
195.02803	1.5
199.03909	1.5
200.04640	0.2
201.02005	0.2
201.05394	0.6
203.03391	0.9
205.01427	0.4
205.04927	0.9
207.02895	0.8
208.03722	0.3
213.01778	0.2
213.05511	0.3
214.02509	0.3
215.03355	2.6
216.04013	0.9
217.04974	0.7
219.02901	1.2
221.04318	0.2
225.01785	0.3
227.03372	1.6
228.04195	0.2
229.04967	1.0
231.02855	2.7
232.03616	0.6
233.04483	1.0
235.02339	0.4
241.04930	0.4
242.02153	0.3
243.02867	2.2
244.03571	1.4
245.04419	3.0
246.01649	0.2
247.02364	0.5
249.05469	0.2
251.03456	0.2
253.04924	0.5
255.02887	2.0
257.04419	1.3
259.02365	1.9
260.03098	3.2
261.03857	4.8
261.06372	0.3
262.04648	0.7
265.04938	0.3
267.02893	0.5
267.06424	0.4
269.04434	0.7
271.02335	2.8
272.03131	0.7
273.03885	2.1
274.04791	0.3
277.03052	0.3
279.03049	0.3
279.06516	0.8
281.04373	0.4
282.05182	0.2
283.02374	1.2
283.05643	0.3
285.03860	1.5
287.01776	0.4
288.02621	0.8
289.03271	2.6
290.04028	1.1
293.04449	0.5
294.05267	0.3
295.02377	0.5
295.05948	0.9
297.03824	1.0
299.01700	1.1
300.02695	0.3
301.03384	8.9
303.05078	0.3
305.04434	1.0
307.02823	0.3
307.06027	0.8
309.03845	0.5
311.01785	0.9
311.05511	0.7
313.03278	0.9
315.01389	0.3
315.04916	0.2
317.02615	1.8
318.03641	2.1
319.04410	3.8
321.04077	0.6
322.04614	0.4
323.01907	0.7
323.05524	1.0
325.03580	1.0
325.06924	0.3
327.01407	0.4
327.05115	0.5
329.02759	1.5
333.04041	1.0
334.04788	0.3
335.05463	2.6
337.03516	0.7
339.01236	0.4
339.05002	1.0
341.02679	0.9
343.04419	0.4
345.02380	1.0
347.05865	0.3
349.03363	0.5
350.04312	0.8
351.01291	0.5
351.05017	2.6
352.05688	0.4
353.02878	0.9
353.06671	0.4
355.04535	0.3
361.03226	1.0
362.04166	0.3
363.04904	2.9
363.09137	0.3
365.02896	0.4
367.04453	1.2
368.05212	0.2
369.02310	0.5
369.06296	0.3
371.04459	0.3
373.03262	0.4
375.04718	0.4
377.02884	0.4
378.03647	0.8
379.04471	4.7
380.05267	0.5
381.06021	0.8
385.05273	0.3
386.06329	0.4
389.02768	1.1
391.04391	2.0
395.03751	1.0
396.04739	0.3
397.05731	0.5
403.04706	0.4
405.02176	0.2
407.03955	2.5
408.04593	0.6
409.05536	2.5
411.03647	0.3
417.02216	0.3
419.03955	2.2
423.03766	0.3
424.04254	0.6
425.04898	1.9
435.03369	1.4
436.04245	0.4
437.04828	1.7
441.05426	0.2
443.05942	0.3
445.01901	0.5
447.03436	0.7
451.02896	0.3
452.03394	0.3
453.04309	1.8
455.06097	0.6
463.03006	0.3
465.04556	0.8
469.05499	0.2
483.05545	1.3
515.06006	0.2
543.05328	0.4
561.06488	0.7
589.05615	0.6
607.07434	1.6
617.05530	0.7
635.06573	100.0
636.06934	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	635.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22583	0.2
52.23519	0.2
55.01856	0.4
63.30178	0.2
67.01862	3.1
68.64211	0.3
68.84293	0.3
68.99776	3.5
69.03427	1.3
70.06577	0.4
71.04977	0.5
71.60979	0.3
71.61382	0.3
77.18345	0.2
79.01874	0.4
81.03395	0.7
81.26325	0.3
85.02905	1.7
91.05458	0.7
97.02868	1.2
98.97552	0.3
109.02858	0.5
111.00787	1.9
111.04382	0.3
121.02839	1.0
123.04414	0.7
127.03908	1.3
129.01833	0.3
131.04924	0.5
137.02315	1.8
137.05988	0.4
139.03893	1.8
147.04369	0.3
149.02328	0.3
151.03824	0.3
153.01807	87.0
154.02162	0.9
155.03369	0.4
159.04489	0.3
161.05952	0.4
163.03883	1.3
165.01782	1.5
166.02591	0.8
171.02902	4.0
171.04370	0.8
175.03850	0.3
177.05447	0.7
179.03368	1.2
181.01250	0.6
183.02896	0.5
183.04404	0.4
183.84473	0.3
185.88687	0.3
187.03908	1.6
189.05415	0.8
191.03400	1.6
193.01314	0.4
195.02895	1.6
199.03864	1.7
201.01767	0.3
201.05489	0.6
203.03403	1.0
204.04214	0.5
205.04955	0.6
207.02888	0.7
211.03975	0.4
215.03387	2.6
216.04137	1.0
217.04956	1.0
219.02950	1.5
221.04469	0.3
227.03368	1.5
229.04903	1.0
231.02847	3.3
232.03606	0.7
233.04411	1.0
235.02225	0.4
237.05621	0.3
239.03577	0.5
243.02899	2.7
244.03592	1.8
245.04398	2.9
247.02411	0.8
251.07068	0.5
253.04924	0.4
255.02885	2.3
257.04456	1.1
259.02307	1.9
260.03146	3.6
261.03870	5.4
262.04758	0.8
267.02795	0.8
267.06552	0.5
269.04395	0.7
271.02341	2.9
272.03140	0.4
273.03912	2.4
274.04495	0.5
275.01785	0.4
275.05438	0.3
276.02637	0.3
279.06522	0.9
281.04642	0.3
283.02405	1.0
284.03021	0.4
285.03958	1.2
287.01886	0.4
288.02686	0.8
289.03104	2.4
290.04199	1.6
293.04599	0.7
294.05173	0.4
295.02438	0.7
295.06030	1.3
297.03867	1.6
299.01898	0.9
301.03397	8.9
305.04449	1.0
307.02515	0.4
307.06024	1.0
308.03638	0.3
309.03888	0.5
311.01703	0.8
311.05627	0.7
313.03232	1.3
314.03638	0.3
317.02902	2.0
318.03537	1.8
319.04443	3.6
321.04025	0.9
323.01819	0.6
323.05481	1.2
325.03412	1.3
325.06934	0.4
326.04108	0.3
327.01526	0.4
327.05051	0.4
329.02829	2.1
333.03909	0.8
334.04852	0.4
335.01593	0.5
335.05341	2.9
337.03415	0.6
339.01340	0.4
339.05020	1.2
341.02930	0.6
345.02768	1.1
349.03522	0.6
350.04044	0.8
351.01202	0.5
351.04922	2.9
352.05692	0.4
353.02838	0.9
353.06802	0.4
357.02518	0.4
361.03311	1.2
362.04050	0.5
363.04852	2.6
367.04651	0.9
369.02182	0.4
369.06177	0.4
373.03363	0.6
377.02878	0.4
378.03543	0.5
379.04440	4.4
380.05228	0.7
381.06284	0.8
389.02701	1.3
390.04132	0.4
391.04446	1.6
395.03979	1.0
396.04886	0.3
397.05258	0.4
401.02887	0.4
403.04861	0.4
407.03769	2.5
408.04581	0.5
409.05646	2.8
417.02344	0.4
418.03018	0.3
419.03888	3.0
423.03302	0.4
424.04211	0.7
425.04944	2.0
435.03302	1.5
437.04919	1.7
447.03360	0.9
449.04453	0.3
451.02988	0.4
453.04428	2.0
455.06165	0.6
463.03293	0.3
465.04688	0.8
483.05621	0.9
495.05762	0.3
543.05298	0.4
561.06543	0.9
571.21466	0.4
589.05212	0.6
607.07068	1.5
617.05548	0.7
635.06580	100.0
636.07019	4.5
652.09442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2855
Annotation	Orthosiphol T
Peak:m/z	Relative Intensity
57.07069	0.6
67.05502	0.5
70.91846	1.5
73.75802	0.5
81.07047	0.5
91.05465	0.5
93.07072	0.8
95.04947	0.6
97.25932	0.5
103.70425	0.4
134.78526	0.5
149.51939	0.4
195.09317	0.5
210.11438	0.6
221.10713	0.7
232.15887	0.6
235.12140	0.5
237.13872	0.6
249.13799	0.5
251.12099	0.5
275.19943	0.5
362.17953	0.6
376.23337	0.5
389.17828	0.8
401.17636	0.9
402.18573	1.0
403.19211	2.0
404.20059	0.7
405.20804	1.1
407.72079	0.5
415.19775	0.6
416.20541	0.7
417.16327	1.0
417.21436	3.6
418.21832	0.8
419.22464	1.0
429.21207	0.7
430.17877	1.6
431.17932	6.1
432.19373	1.7
433.24377	2.4
444.19073	1.3
445.19974	6.8
446.20862	2.3
447.21469	0.9
458.21011	0.7
459.17032	1.0
459.22852	2.8
460.22794	2.9
461.23764	3.7
471.21844	0.8
473.19138	1.2
475.21338	1.5
477.22687	0.7
487.21347	0.7
488.21814	3.3
489.22760	5.7
492.55359	0.6
501.22971	1.2
503.24527	0.7
515.24261	0.6
519.24115	0.5
532.24872	0.8
547.27380	7.9
563.22638	0.5
575.26440	21.0
576.26636	0.8
581.89624	0.6
607.28729	1.6
635.28564	100.0
636.29138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2854
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
55.15417	1.0
62.03482	1.1
63.38362	0.9
69.07069	1.2
71.64284	1.7
79.05460	1.0
81.07061	1.9
91.05476	1.3
93.07032	1.0
95.08583	1.1
96.69070	1.1
109.10156	1.3
121.10126	1.2
145.10207	1.2
177.94576	1.0
210.02817	1.2
234.08583	1.2
352.03442	1.1
403.19440	2.4
404.20020	2.1
405.20691	1.4
417.16504	2.4
417.21130	3.2
418.21729	2.0
419.22150	2.6
429.16736	1.5
430.17938	3.5
431.17978	7.4
431.45944	1.2
432.18842	2.2
432.23962	1.5
433.23938	4.7
443.18448	1.4
444.19077	2.7
445.20059	10.8
446.21036	3.0
447.21796	3.7
459.21851	8.7
460.22461	9.5
461.23459	6.9
473.23703	1.9
477.22903	1.3
488.22318	1.5
505.22241	1.5
517.21783	1.7
519.24268	4.5
531.23627	3.3
533.25653	1.4
546.25861	3.2
547.27063	18.3
563.25317	1.3
575.26483	2.5
577.24530	3.3
591.25702	3.9
605.27679	1.4
606.28223	13.5
607.28992	25.4
634.45703	1.3
635.28540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.9
53.03943	11.6
55.01871	7.1
55.05501	21.7
57.03431	11.3
59.04959	1.4
61.02895	1.2
65.03922	4.7
67.05498	53.3
69.03418	19.9
69.07064	11.2
70.82474	1.4
70.82820	2.8
71.04971	7.6
73.02901	1.7
73.06540	1.6
79.05482	65.7
81.03407	94.5
81.07045	52.7
83.04966	28.4
83.08603	19.7
85.02895	13.9
85.06540	2.9
90.66193	1.1
91.05467	66.7
93.07034	61.4
95.04956	38.1
95.05545	2.5
95.08585	25.4
97.02879	22.1
97.06507	8.8
97.10162	5.9
99.04438	5.6
103.05460	1.3
105.04511	1.8
105.07018	42.8
107.04939	12.0
107.08579	22.6
107.09279	1.7
109.02876	17.6
109.06496	9.0
109.10123	6.7
111.04427	13.9
111.08096	7.5
115.05460	2.7
116.06194	1.5
117.07023	10.5
119.04929	3.9
119.08566	31.1
121.06494	6.9
121.10125	14.9
123.04451	3.1
123.08076	4.5
123.11706	2.9
125.05998	1.6
125.09606	3.9
127.03915	11.6
128.06213	3.7
129.05516	2.0
129.06984	21.6
131.08563	15.8
133.06522	6.1
133.10120	13.9
135.08095	2.9
135.11734	5.8
141.06938	2.5
142.07784	2.2
143.08543	9.7
145.06490	3.1
145.10104	13.1
147.04375	7.3
147.08049	5.6
147.11665	36.5
149.09586	6.8
151.11209	1.4
152.79709	1.3
153.12788	2.3
155.08525	2.7
157.06459	2.1
157.10121	8.8
159.08105	2.9
159.11681	2.7
161.05928	1.5
161.09615	3.6
161.13248	8.0
163.03920	1.4
163.11153	4.3
165.12784	4.0
167.08557	1.9
169.10197	2.4
171.08089	2.7
171.11668	22.2
173.04474	5.3
173.05872	1.2
173.13309	1.6
175.11192	12.0
177.12669	1.8
179.08537	1.3
181.10083	1.8
181.12222	2.9
185.13332	1.7
189.11278	1.9
189.12738	8.7
191.10690	2.2
193.12231	27.7
205.12276	1.5
207.13777	23.2
211.13245	37.5
225.12917	1.9
225.14931	4.7
227.12648	6.9
249.14922	2.2
267.15881	13.5
269.15381	1.6
273.14804	3.1
281.17441	19.0
283.15616	1.7
285.16922	3.2
287.16724	1.3
301.14261	1.5
319.15298	1.7
337.16537	5.9
351.18130	2.0
355.17505	7.5
355.66144	2.0
389.19620	1.4
393.19186	1.8
399.25339	2.7
411.20187	10.1
445.29422	1.7
455.28302	3.3
463.29855	1.3
471.26480	1.4
473.28830	20.5
487.30804	1.5
491.30035	13.4
515.29761	2.2
553.31653	1.9
571.32574	2.7
581.31146	2.8
599.31921	4.4
617.33228	7.9
635.34174	100.0
636.34399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.6
55.75152	1.6
67.05489	11.0
69.07065	9.8
69.40416	16.1
70.99265	1.6
79.05484	8.4
81.03425	1.7
81.07047	24.8
83.04992	8.1
83.08604	8.4
89.03913	5.6
91.05470	16.4
93.07040	21.9
95.04955	4.6
95.08598	37.5
97.10157	2.9
105.07038	21.5
107.04949	3.4
107.08582	31.1
109.06531	3.1
109.10137	16.8
111.08051	2.2
115.23887	1.6
117.03365	6.7
117.06981	3.4
117.93950	1.7
119.04926	15.2
119.08562	32.4
121.10132	24.6
123.08064	2.5
123.11678	13.4
124.99996	2.4
125.09631	3.1
129.06950	2.9
131.08583	7.4
133.10114	24.5
133.70575	1.5
135.04395	15.0
135.11676	16.5
137.13225	2.5
143.08577	4.8
145.02820	11.8
145.10095	18.0
147.04402	51.2
147.11676	20.2
149.09508	1.7
149.13252	10.3
153.09100	2.0
157.10077	4.9
159.10368	3.0
159.11662	18.2
161.13219	13.2
163.03889	100.0
163.11095	2.8
163.14830	8.0
165.05466	3.5
169.10109	2.1
171.11725	5.0
173.09686	2.5
173.13235	9.2
175.14777	16.1
176.14339	2.9
177.09045	2.2
177.16327	16.6
181.04932	23.9
183.11719	2.5
185.13304	2.4
187.14801	11.7
189.16354	28.9
191.17944	7.1
197.13280	2.1
199.14842	4.9
201.16367	21.1
202.15871	26.8
203.16212	15.4
203.17955	29.6
205.15886	6.6
205.19336	1.9
207.17516	3.4
213.16380	7.1
215.17915	23.1
217.15936	2.3
217.19521	2.9
219.17439	2.8
220.16959	2.8
221.15366	2.2
221.17281	2.4
225.16380	1.9
229.19421	2.1
231.17427	2.1
233.15273	2.3
235.16949	7.2
239.17905	2.5
241.19687	2.8
243.21066	2.2
247.16957	9.5
249.18533	2.3
255.21152	2.8
261.18445	15.0
267.20981	2.3
295.24164	2.9
300.13571	33.6
301.13901	21.0
349.21323	1.8
391.33710	8.7
395.29617	2.4
407.33261	3.9
409.34531	10.3
411.32538	10.8
425.33771	1.7
435.32709	1.9
437.34134	42.2
453.33673	11.9
537.28925	1.8
617.38770	3.3
635.41101	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	635.3935
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
54.74815	0.2
55.05507	1.8
57.07075	0.4
63.85214	0.2
65.03931	1.5
65.82716	0.2
65.93911	0.2
67.05501	2.2
69.07063	1.6
70.43504	0.7
79.05489	1.8
81.07053	5.7
83.04469	0.3
83.04977	8.6
83.08615	1.2
91.05475	13.6
93.07041	5.2
93.07613	0.3
93.54455	0.2
95.04961	1.5
95.08601	9.8
97.06544	0.3
97.10162	0.5
98.21400	0.2
102.00397	0.2
102.08795	0.2
105.07021	6.2
107.08587	9.9
109.06511	1.1
109.10145	5.1
110.75758	0.2
111.08092	1.2
117.07014	0.9
119.04938	26.5
119.08570	9.3
121.10137	5.6
123.04442	0.2
123.08057	1.3
123.11703	1.8
125.09631	3.2
127.31183	0.2
129.06996	0.4
131.08574	3.1
133.10120	6.4
135.08060	0.3
135.11693	3.8
137.09567	0.4
137.13239	0.6
143.08536	1.1
144.09311	0.4
145.10114	5.4
147.04399	100.0
147.11670	5.3
148.04733	0.6
149.09584	0.5
149.13248	2.0
151.11139	0.3
153.09131	0.7
157.10170	1.3
159.11691	6.1
161.13239	4.8
163.07544	0.2
163.11160	0.3
163.14796	2.1
165.05461	5.9
165.09227	0.3
169.10168	0.3
171.11662	1.3
172.12468	0.3
173.13264	3.2
175.14815	3.5
177.09109	0.8
177.16389	1.9
183.11670	0.5
185.13263	0.6
187.14806	5.6
189.16377	5.4
191.14256	0.8
191.17923	2.8
193.15871	0.6
197.13220	0.5
199.14825	1.7
201.16383	7.9
203.14388	0.4
203.17932	3.8
205.15833	2.5
205.19556	0.7
207.17416	0.3
211.14793	0.6
213.16373	2.0
215.14439	0.4
215.17938	4.1
217.15857	1.7
217.19469	0.2
219.17429	3.2
221.15335	1.0
225.16386	0.4
227.17943	0.8
229.15900	0.5
229.19510	0.7
231.17342	0.6
231.21027	0.4
233.15436	0.5
233.18983	0.6
235.16859	2.0
241.19531	0.6
243.21071	0.4
247.16910	4.3
249.18442	1.0
251.17764	0.2
253.19392	0.5
255.21075	0.5
261.18454	3.5
267.20999	0.5
269.22559	0.3
273.18411	0.2
275.20288	0.3
281.22498	0.4
283.24149	0.2
289.21716	0.2
300.56296	0.2
301.21768	0.3
307.52966	0.2
311.23706	0.9
313.21649	0.3
313.25165	0.2
315.23071	0.4
325.28778	1.7
327.22928	0.2
329.24677	0.5
341.24603	0.4
348.76300	0.2
349.28970	1.2
357.27982	1.0
371.29419	1.4
377.31985	0.4
389.32019	1.8
395.29364	2.1
407.33066	8.0
408.33157	0.2
423.32352	0.6
425.34171	2.5
435.32596	3.4
443.35065	0.8
453.33630	17.5
454.33862	0.4
471.34244	0.4
617.38232	0.3
635.39087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3934
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.02363	0.2
53.03906	0.3
55.05504	2.6
57.07060	0.6
65.03934	1.1
67.05497	2.9
69.07049	1.9
70.68307	0.9
71.08611	0.2
77.03891	0.2
79.05484	2.3
81.07050	5.5
83.04465	0.4
83.04975	13.3
83.08595	1.4
91.05472	13.9
93.07037	6.8
95.04958	2.8
95.08596	10.3
97.06522	0.8
97.10136	0.7
105.06362	0.4
105.07023	6.3
107.08588	10.2
107.66708	0.2
109.06513	1.0
109.10146	5.3
111.08060	1.6
117.07000	0.9
119.04935	27.7
119.08572	9.4
120.05205	0.2
121.06502	0.4
121.10130	6.2
123.04400	1.1
123.08071	1.6
123.11690	2.0
125.09609	3.1
129.06958	0.4
131.08559	3.5
133.10117	7.2
135.08087	0.3
135.11673	4.1
137.09660	0.7
137.13274	0.4
142.07790	0.4
143.08524	1.5
144.09344	0.4
145.10118	6.2
147.04396	100.0
147.11674	5.5
147.12766	0.4
148.04715	0.6
149.09633	0.8
149.13254	2.7
151.11116	0.4
153.09077	1.0
155.08577	0.3
157.10106	1.7
158.10831	0.3
159.08043	0.3
159.11685	7.9
161.13239	5.7
162.13589	0.2
163.11198	0.6
163.14825	1.7
163.41800	0.2
165.05461	2.5
165.16280	0.3
167.10709	0.2
169.10187	0.5
170.10928	0.3
171.11644	1.2
172.12363	0.3
173.13254	3.6
175.14825	3.5
177.09102	0.9
177.12753	0.3
177.16377	2.0
183.11710	0.4
185.13245	0.8
187.14816	4.8
189.16374	5.6
191.14384	0.4
191.17929	3.1
193.12234	0.5
193.15810	0.6
197.13123	0.5
199.14720	1.8
201.16371	8.0
202.15910	1.4
203.14482	0.5
203.17947	3.4
205.15854	2.2
205.19424	0.4
207.17377	0.3
209.13316	0.2
209.83359	0.3
211.14798	0.3
213.16270	1.7
215.14491	0.3
215.17912	3.8
217.15892	1.7
219.17419	3.2
221.15363	1.4
227.17911	0.7
229.15868	0.6
229.19537	0.8
231.17451	0.7
233.15393	0.3
233.19051	0.3
235.16891	1.6
239.17964	0.4
241.19469	0.7
247.16913	3.7
249.18523	0.8
253.19485	0.5
255.21028	0.4
255.62755	0.3
257.18890	0.3
259.16757	0.3
261.18512	2.9
267.21005	0.4
273.18607	0.3
275.20123	1.0
279.21191	0.3
281.22623	0.3
282.19678	0.3
283.24115	0.4
300.13568	1.6
301.21701	0.4
311.23676	0.7
315.23019	0.5
319.24213	0.3
325.28885	2.2
327.23203	0.4
329.24551	0.3
349.28940	0.8
357.27734	0.9
371.29349	1.4
379.33554	0.3
389.32053	1.6
395.29346	2.6
397.30887	0.3
407.33090	6.4
409.34720	0.3
423.32507	0.4
425.34213	1.6
435.32529	3.2
453.33594	16.3
454.33624	0.4
471.34082	0.4
582.70398	0.3
603.91913	0.3
635.41382	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58013	0.7
55.05505	4.9
63.00201	0.7
64.03171	0.8
65.03913	1.7
67.05493	6.5
69.03423	1.5
69.07066	3.8
71.08164	2.0
79.05492	4.5
81.07055	11.9
83.04959	1.4
83.08598	4.1
85.06514	0.9
91.05467	20.9
91.06055	1.2
93.07040	12.7
95.04942	2.3
95.08596	19.3
97.06502	7.0
97.10151	1.4
97.35935	0.7
99.08075	1.7
99.97928	0.7
105.07016	14.3
107.08578	20.9
109.06499	2.4
109.10143	14.3
111.08054	2.5
117.06992	2.1
119.04929	26.7
119.08562	29.6
121.06462	0.9
121.10132	15.4
121.10993	1.0
123.08055	1.6
123.11707	5.5
125.09602	7.1
128.06143	1.0
129.06920	1.1
131.08543	7.2
133.10107	18.0
135.08022	0.9
135.11694	8.4
137.09625	2.5
137.13211	1.3
143.08557	3.5
144.09207	0.8
145.10107	19.1
145.47383	0.7
147.04393	100.0
147.11656	7.8
148.04764	1.0
149.09598	4.3
149.13237	4.3
151.11092	1.3
153.09044	1.1
155.08531	1.1
157.10130	3.6
158.10950	0.8
159.11681	13.0
161.09717	0.9
161.13219	12.7
163.07539	1.5
163.11102	1.2
163.14810	4.3
165.05449	1.0
169.10094	1.4
171.11674	3.3
172.12396	1.1
173.09602	0.7
173.13210	8.3
173.68362	0.8
175.14813	9.4
177.09109	2.9
177.12714	1.3
177.16360	6.2
183.11685	1.2
185.13268	2.8
187.14796	35.1
189.16359	9.4
191.14276	1.0
191.17946	4.0
193.15912	0.7
197.13318	1.0
199.14784	4.9
201.16365	19.3
203.17932	6.9
205.15842	1.9
205.19505	0.8
211.14824	1.4
213.16339	4.1
215.14291	1.1
215.17937	9.9
217.15852	1.4
219.17415	5.9
221.15411	1.1
223.14824	1.2
225.16345	1.6
227.17929	2.3
229.15910	1.0
229.19429	1.6
233.18950	3.4
235.16978	2.4
241.19478	1.4
247.16911	7.5
249.18489	1.4
261.18484	3.8
267.21198	1.1
275.20056	1.3
279.21100	1.1
281.22559	1.2
283.24307	1.0
287.19958	1.3
291.19467	1.2
293.22766	1.2
297.25101	0.8
311.23776	2.2
327.23215	0.9
341.24747	0.8
349.29108	0.9
355.25854	0.9
389.31995	7.0
395.29379	5.3
407.33063	21.1
407.38312	1.5
423.32571	1.3
425.34241	2.0
435.32535	8.2
453.33609	8.8
471.34662	8.5
575.22577	0.9
617.39001	3.6
635.40442	1.1
636.83276	0.9
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	Myriceric acid B
Peak:m/z	Relative Intensity
53.03934	0.3
55.01849	0.3
55.05502	3.2
57.07056	1.0
57.88543	0.2
65.03640	0.2
65.03926	1.7
67.05500	4.4
69.07064	3.0
69.45029	0.8
69.45450	1.5
79.05482	4.0
81.03391	0.3
81.07051	8.7
83.04974	16.4
83.08614	1.8
91.05473	14.0
91.05917	0.2
93.07037	10.8
95.04959	3.4
95.08598	15.6
97.06498	0.8
97.10152	0.9
98.20848	0.7
98.21504	0.6
99.08069	0.4
105.07021	10.2
106.02489	0.3
107.05004	0.3
107.08585	16.1
109.06512	1.4
109.10142	8.5
111.08065	1.8
111.11691	0.4
117.06998	1.2
119.04931	26.2
119.08569	14.5
121.06497	0.4
121.10131	9.3
123.04434	0.6
123.08061	2.2
123.11695	3.5
125.09618	4.5
129.07018	0.5
131.08569	5.4
131.10088	0.3
133.10115	9.8
135.08073	0.5
135.11676	6.1
137.09613	0.8
137.13234	0.8
142.07796	0.3
143.08504	1.6
144.09361	0.6
145.10109	9.2
147.04393	100.0
147.11671	7.3
148.04741	0.7
149.09596	1.0
149.13226	3.9
151.07503	0.4
151.11145	0.7
153.09096	1.1
155.08597	0.4
157.10141	2.3
159.11673	9.9
160.12183	0.4
161.09625	0.4
161.13237	7.1
163.07487	0.7
163.11156	1.0
163.14778	2.0
164.75201	0.3
165.05475	8.1
165.06847	0.5
165.09079	0.4
167.10771	0.4
169.10107	0.7
171.11653	1.6
172.12434	0.5
173.09634	0.4
173.13239	5.8
175.11234	0.3
175.13301	0.3
175.14815	5.3
177.09073	1.4
177.12738	0.4
177.16345	3.1
180.13127	0.3
183.11703	0.6
184.12402	0.3
185.13174	1.5
187.14804	8.3
187.16428	0.6
188.15077	0.4
189.16354	8.7
191.10675	0.5
191.14279	0.8
191.17931	4.1
193.15862	0.9
197.13170	0.5
199.14798	2.7
201.16365	11.6
202.15984	0.3
203.14288	0.9
203.16188	0.5
203.17917	4.4
205.15881	3.2
205.19492	0.6
207.17519	0.9
211.14873	0.9
213.16380	2.7
215.14470	0.6
215.17934	6.0
217.15857	3.0
217.19409	0.5
219.17436	5.0
220.16966	0.5
221.13435	0.4
221.15218	1.5
225.16360	0.9
227.17853	1.2
229.15909	0.8
229.19547	1.1
231.17494	0.8
231.21017	0.3
233.15366	0.7
233.18965	0.9
234.02902	0.3
235.16907	2.3
239.17821	0.4
241.19510	1.1
243.20998	0.5
245.19118	0.3
247.16890	5.6
249.18513	1.3
251.84618	0.3
253.19405	0.4
255.21077	0.8
259.16879	0.5
261.18484	4.5
267.21005	0.6
269.22479	0.4
273.18524	0.4
275.20126	0.6
283.15018	0.3
283.24182	0.4
289.21619	0.5
291.19467	0.6
293.22531	0.5
300.13571	0.7
301.13889	0.7
301.21765	0.5
311.23596	1.1
311.27060	0.4
325.28827	2.6
329.24753	0.7
341.24817	0.5
349.28769	1.0
355.26089	0.6
357.27829	1.2
371.29477	2.0
389.31992	2.3
395.29385	2.9
407.33044	10.1
407.38300	0.6
417.31583	0.3
423.32443	1.1
425.34113	3.8
435.32568	4.5
443.35257	0.8
446.15085	0.3
453.33597	22.5
471.34784	0.5
617.38684	0.6
635.40997	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3932
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03937	0.4
55.05505	1.7
56.65619	0.2
57.07059	0.4
62.36247	0.3
65.03928	1.4
67.05495	2.3
67.57022	0.3
69.07066	2.1
69.50101	2.1
77.38493	0.2
79.05470	2.0
81.07046	5.7
83.04971	10.5
83.08585	1.4
85.02874	0.4
91.05469	13.8
93.07030	5.9
95.04948	1.5
95.08598	10.5
97.06477	0.3
97.10145	0.6
98.21170	1.1
99.08050	0.4
105.07018	5.6
107.08579	10.1
109.06522	0.9
109.10140	5.4
111.08072	0.8
117.06998	1.0
119.04928	27.2
119.08559	8.9
121.10132	6.2
123.04411	1.2
123.08045	1.3
123.11694	2.0
125.09613	3.0
129.06996	0.4
131.08557	3.5
133.10126	6.7
135.11691	3.8
137.13239	0.6
143.08560	1.3
144.52676	0.3
145.10110	6.6
147.04390	100.0
147.11665	5.0
148.04729	0.7
149.09651	0.4
149.13240	2.4
153.09100	0.7
157.10094	1.5
159.11668	6.3
161.13231	5.0
163.07555	0.4
163.11203	0.8
163.14784	1.7
165.05455	2.1
169.10097	0.6
171.11699	1.0
173.13216	3.9
175.14803	3.0
177.09143	0.6
177.16368	2.4
183.11707	0.4
185.13246	0.9
187.14781	5.5
189.16341	5.7
190.34166	0.3
191.14357	0.4
191.17937	2.7
192.97084	0.3
193.15904	0.4
197.13318	0.5
199.14854	1.5
201.16354	8.5
203.14291	0.8
203.17950	3.1
205.15855	3.1
205.19505	0.5
207.17418	0.8
211.14688	0.3
213.16435	1.4
215.17914	3.3
217.15849	1.6
217.19562	0.4
219.17432	2.4
221.15392	1.2
225.16309	0.3
227.17995	0.6
229.15962	0.3
229.19475	0.4
231.21146	0.4
233.15385	0.5
233.19060	0.6
235.16824	1.5
239.17982	0.5
241.19455	0.7
247.16896	4.1
249.14949	0.6
249.18619	0.7
253.19516	0.6
259.16846	0.3
261.18448	2.6
267.20917	0.4
310.44122	0.3
311.23676	0.7
315.23413	0.4
325.28815	1.1
327.23233	0.7
329.24542	0.4
349.28928	0.9
357.27786	0.9
371.29230	1.3
389.31915	1.6
395.29498	1.9
407.33078	7.8
425.34048	2.1
435.32483	3.0
443.35083	0.4
453.33591	13.1
454.33807	0.4
471.34418	0.7
635.25201	0.4
635.36725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03936	0.5
54.05702	0.4
55.05502	3.8
57.07062	2.0
60.86288	0.3
65.03925	1.2
67.05495	4.0
69.06768	0.3
69.07059	4.2
69.98604	1.8
72.86778	0.3
77.50063	0.3
79.05484	3.0
81.07052	8.6
83.04971	1.0
83.08606	5.6
91.05468	13.6
93.07026	8.4
95.04954	1.0
95.08592	16.3
97.06503	0.4
97.10160	0.6
98.20689	0.5
98.21280	1.0
99.08093	2.0
103.05420	0.4
105.07011	10.7
107.04945	0.6
107.08576	15.5
109.06529	1.1
109.10143	11.6
111.08098	0.6
112.41976	0.4
113.09610	0.4
117.06981	1.7
119.04932	23.3
119.08566	19.1
121.06560	0.5
121.10129	14.2
123.08063	0.7
123.11696	4.7
125.09593	0.4
129.07004	0.8
131.08548	8.4
133.10112	17.8
135.11673	8.0
137.09575	0.9
137.13228	2.9
143.08533	4.5
144.09363	0.5
145.10104	13.8
146.10803	0.4
147.04387	100.0
147.11667	11.0
148.04745	0.8
149.13246	5.6
151.07510	0.6
151.11125	0.9
151.14786	0.9
155.08543	0.9
156.09254	0.7
157.10106	4.7
158.10948	0.8
159.11673	11.1
161.09669	0.7
161.13237	6.5
163.07506	0.6
163.11142	2.1
163.14793	5.1
165.05461	9.9
165.06833	0.5
165.12712	0.4
169.10117	1.4
170.10857	0.9
171.11615	3.3
172.12294	0.4
172.95270	0.7
173.11743	0.4
173.13246	8.2
175.14803	7.7
177.12790	0.8
177.16364	5.0
179.14288	1.5
181.10138	0.5
183.11674	2.0
184.12440	0.4
185.13231	7.8
187.14789	13.8
187.16415	0.8
189.16359	6.8
191.17896	2.6
193.15918	0.5
195.11620	0.5
197.13249	2.3
199.14774	6.5
201.16350	17.7
203.14268	6.2
203.17906	5.5
205.15868	6.2
207.11823	0.4
207.17377	2.9
209.13214	1.0
211.14760	2.5
213.16316	5.4
215.14333	0.5
215.17892	3.6
217.15811	0.8
217.19501	1.2
219.13776	0.8
219.17467	2.0
221.15419	0.6
221.19041	0.7
223.14774	1.1
223.16945	1.0
225.16383	1.9
227.17921	2.2
229.15860	0.8
229.19485	1.5
231.13693	0.5
231.17380	1.4
233.15346	1.6
233.19048	0.4
235.17007	0.4
237.16364	0.7
239.17960	1.2
241.19467	0.7
243.20996	0.7
245.15414	2.4
245.19009	0.4
247.16901	3.0
249.14801	7.0
251.17986	0.7
253.19492	1.7
255.21104	0.7
259.16919	1.6
261.18451	0.4
265.19522	0.6
267.21033	1.2
269.22632	0.6
271.20358	0.5
273.18637	0.4
279.21072	1.2
281.22568	0.9
293.22583	0.7
295.24139	0.6
297.18521	0.4
299.20093	0.5
305.22461	0.6
307.24329	0.4
309.25711	0.5
319.24017	0.5
325.21606	0.6
327.23215	0.6
337.24921	0.6
349.28992	1.1
353.24564	0.7
367.30072	0.9
374.98663	0.7
389.31973	4.5
391.33612	0.5
395.29276	2.6
407.33038	18.6
409.30783	1.6
409.34985	1.2
413.30624	0.5
417.31491	0.8
425.34012	4.9
435.32513	12.7
436.32947	0.6
443.34668	0.5
453.33688	8.0
471.34644	3.2
473.19989	0.4
617.38092	5.7
635.24823	0.5
635.38171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37213	0.7
55.05499	3.5
57.07069	0.8
61.59166	0.6
67.05486	6.1
69.03400	1.6
69.07043	5.2
71.04978	0.8
71.35580	0.7
71.35915	0.6
79.05476	5.4
81.07043	12.3
83.04975	1.1
83.08616	3.4
83.94107	0.5
85.06524	0.8
91.05463	16.7
93.07030	13.5
95.04941	2.0
95.08588	24.4
97.06512	6.7
97.10116	1.6
99.08060	1.5
105.07011	17.0
107.08575	21.3
109.06498	3.0
109.10136	15.9
109.10889	0.6
111.08059	3.5
117.06980	2.7
119.04079	1.2
119.04922	23.4
119.08556	34.7
121.06510	0.7
121.10117	18.0
123.08038	1.6
123.11668	4.2
125.09604	8.4
129.06993	1.8
130.07738	1.2
131.08545	8.3
133.10109	18.5
135.11685	7.9
137.09607	1.3
143.08522	3.8
144.09299	0.7
145.10098	22.5
147.04382	100.0
147.11667	9.2
149.09558	3.3
149.13243	5.4
151.07587	0.6
151.11159	1.5
153.09082	0.9
157.10091	3.9
159.11656	17.1
160.12331	0.6
161.13216	15.6
162.08374	0.5
163.07513	1.3
163.11183	1.5
163.14806	4.2
165.05460	4.4
169.10094	1.4
171.11694	2.7
172.12456	0.9
173.09616	0.8
173.13216	10.2
175.14812	8.8
177.09085	1.7
177.12715	1.2
177.16377	5.5
179.14294	0.7
183.11679	1.3
185.13286	2.8
187.14784	40.3
189.16319	10.8
191.10672	0.8
191.14299	1.5
191.17900	4.5
193.15872	1.1
197.13229	1.3
199.14755	5.4
201.16342	17.6
203.14200	0.8
203.17914	7.8
205.15842	2.1
205.19530	0.7
207.17413	1.1
211.14777	1.0
213.16315	5.3
215.17915	12.5
217.15826	1.4
217.19427	1.1
219.17432	8.0
221.15373	1.4
223.14862	0.7
225.16428	1.2
227.17914	2.8
229.15894	0.9
229.19478	2.4
231.17413	1.5
233.15260	0.9
233.18977	5.8
234.29099	0.7
235.16891	3.4
237.16237	0.6
239.18115	0.8
241.19449	1.9
243.20992	0.8
247.16862	10.1
249.18500	0.7
253.19589	1.4
261.18469	3.9
267.21136	2.0
275.20139	1.3
281.22571	0.9
283.24136	1.2
287.19965	1.6
293.22629	1.5
295.24142	0.9
309.25684	1.0
311.23715	1.4
319.37820	0.6
327.23532	0.7
329.24722	0.7
349.28738	2.2
389.31952	7.2
395.29297	6.3
407.33063	22.0
408.33716	0.6
409.34601	0.8
425.33987	2.8
435.32541	8.5
453.33682	10.7
471.34677	5.3
617.38214	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.03432	0.7
57.07062	1.0
61.02912	1.0
65.03921	1.1
67.05494	7.4
69.03404	1.6
69.07049	4.6
69.33134	5.1
69.33550	1.2
75.54079	0.6
79.05495	4.9
79.74009	0.5
81.03417	1.4
81.07045	13.6
83.04973	3.5
83.08592	3.3
85.02915	0.6
85.06576	0.5
87.81646	0.6
88.02795	0.6
90.00960	0.5
91.05463	15.2
93.06459	1.1
93.07033	12.0
95.04958	2.9
95.08591	20.7
97.06505	1.2
97.10126	1.1
99.08067	0.8
103.05415	0.6
105.07014	13.7
107.04974	0.9
107.07846	1.2
107.08576	21.0
109.06517	2.1
109.10138	12.6
111.08096	2.8
117.07027	3.1
119.04926	24.3
119.08559	24.3
121.10124	12.9
123.08029	1.1
123.11678	4.2
125.09608	5.6
128.06163	0.9
129.07018	1.2
131.08556	7.5
133.10103	15.8
135.07993	0.8
135.11673	8.1
137.09583	2.0
137.13289	0.8
143.08543	4.9
144.09331	1.1
145.09222	0.4
145.10103	16.4
147.04388	100.0
147.11665	11.1
149.09663	0.9
149.13225	5.6
151.07500	1.0
151.11168	1.7
152.86703	0.5
153.09097	0.9
155.08429	0.7
157.10117	3.8
158.10876	1.0
159.11671	15.4
161.13222	8.0
163.07607	0.7
163.14790	3.6
165.05455	8.1
165.06802	0.5
165.12807	0.6
169.10121	1.0
170.10851	0.5
171.11661	3.7
172.95226	1.9
173.13229	8.8
175.14812	8.1
177.09111	2.0
177.12730	1.1
177.16379	4.5
183.11685	2.2
185.13240	2.8
187.14790	23.0
189.16354	12.7
190.96222	1.5
191.14316	2.2
191.17924	5.2
193.15807	1.1
197.13251	1.0
199.14824	3.9
201.16348	17.9
203.14236	1.0
203.17889	6.2
205.15817	4.9
205.19447	1.1
207.17422	1.3
209.13274	0.7
211.14862	1.1
213.16357	7.8
215.17926	13.0
217.15833	3.5
217.19508	2.0
219.17421	9.6
221.15311	1.1
221.36325	0.6
223.14847	0.9
227.18011	1.3
228.97777	0.7
229.15837	0.9
229.19502	1.1
231.17471	0.9
233.18893	3.9
235.16919	6.4
239.18007	0.7
241.19481	2.1
243.21051	1.3
245.22540	0.8
247.16884	8.1
249.18504	1.3
251.17963	0.7
253.19434	1.1
255.20998	1.3
261.18442	5.7
267.20990	3.0
269.22659	1.6
281.22653	0.6
283.23950	0.8
293.22504	0.9
298.99155	0.7
311.23495	0.7
341.24619	0.8
342.23376	0.6
349.28888	0.6
389.31973	5.2
395.29309	1.9
407.33023	24.3
409.34500	1.5
414.14944	0.6
423.32321	1.5
425.34100	2.1
435.32672	6.7
443.35257	0.9
453.33612	19.7
455.18637	0.9
473.19571	2.1
473.28674	0.8
635.25256	1.9
635.36322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
54.58720	0.4
55.01860	1.2
55.05259	0.6
55.05506	8.9
57.03431	9.7
57.07057	1.0
59.04987	3.3
61.02919	4.5
65.03936	1.2
67.05497	55.2
68.05821	0.7
69.03425	3.3
69.07054	4.2
69.42486	5.1
70.06566	0.5
71.04990	3.8
73.02909	1.2
79.05482	9.9
81.03408	31.3
81.07047	18.3
82.67205	0.4
83.04970	6.2
83.08607	12.7
85.02894	16.2
85.06526	2.1
87.04419	0.6
91.03937	1.8
91.05467	16.0
93.07034	9.8
95.04954	13.8
95.08594	7.8
97.02866	4.0
97.06521	1.7
97.10164	1.9
99.04433	0.9
99.08076	0.9
105.07018	9.8
107.04948	3.0
107.08576	5.1
109.02818	0.5
109.06503	2.9
109.10143	52.4
111.04424	2.1
111.08064	7.6
113.06018	1.4
117.06985	0.7
118.12657	0.5
119.08569	12.8
121.06496	1.1
121.10136	4.9
123.08074	0.6
123.11710	1.2
125.09595	1.3
127.03915	0.6
127.11205	0.5
129.06999	5.2
131.08565	5.4
133.06456	1.5
133.10118	5.9
135.08110	0.5
135.11691	1.5
137.09601	3.1
137.13290	0.5
139.11122	0.5
142.07756	0.9
145.04918	0.7
145.10121	1.2
147.08000	1.5
147.11674	7.4
149.09573	3.1
149.13272	0.7
155.10667	2.7
157.10114	7.4
163.11276	1.1
165.12769	2.0
173.11720	15.8
175.11153	7.6
193.12218	22.5
211.11653	0.4
211.13264	32.1
229.14326	52.2
230.14687	0.8
267.15894	13.0
270.53906	0.5
273.82214	0.5
285.16928	29.6
286.17230	0.7
396.38266	0.5
421.20105	0.8
421.25824	15.9
439.26868	100.0
440.27356	3.4
558.74255	0.6
583.31018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.6
53.03935	1.6
55.01861	5.4
55.05504	16.5
57.03420	1.7
57.07066	0.8
59.04990	0.6
65.03915	0.9
67.05495	19.8
69.03410	2.9
69.07058	6.2
69.28381	1.8
69.28799	4.6
71.04964	1.8
79.04993	0.6
79.05480	21.5
81.03421	4.4
81.07045	53.1
82.07347	0.6
83.04971	5.9
83.08607	11.7
85.02879	0.7
85.06512	1.8
86.35500	0.6
86.87049	0.5
88.06451	0.5
90.16529	0.5
91.05468	16.4
93.07030	17.4
95.04954	12.7
95.08589	11.1
97.06536	4.0
97.10159	13.2
99.04440	0.6
99.08069	1.0
101.58729	0.6
105.07007	13.8
107.04938	7.6
107.08585	11.5
109.06509	12.9
109.10138	5.8
111.04436	4.2
111.08060	4.4
115.05415	0.9
117.07001	9.3
119.04898	1.2
119.08566	21.9
121.06476	6.4
121.10114	9.6
123.04395	0.6
123.08041	7.7
123.11665	1.4
125.08751	0.8
125.09614	10.6
127.07534	0.5
128.06223	0.9
129.06987	3.8
131.08545	9.6
133.06459	2.5
133.10106	8.7
135.08026	5.1
135.11665	4.2
137.09625	3.3
139.11067	1.0
141.06921	0.8
143.08537	4.1
145.06461	1.1
145.10098	13.5
147.08026	9.4
147.11662	6.8
149.09596	6.6
149.13239	2.5
151.11166	1.6
153.09081	4.1
153.12724	1.4
155.08507	2.2
155.31883	0.6
157.10095	4.1
159.08003	1.1
159.11653	5.0
161.09579	5.0
161.13229	2.0
163.11160	8.8
163.14825	0.9
165.09082	4.3
165.12732	1.4
169.10085	1.1
171.08023	0.6
171.10280	0.6
171.11664	2.9
173.09558	2.1
173.13206	1.6
175.11153	3.3
175.14764	0.6
177.12662	1.3
181.12212	3.4
183.11488	1.0
185.09575	0.6
185.13243	1.6
187.11180	1.5
189.11211	9.9
189.12750	0.8
191.10632	4.3
191.14059	0.6
193.12202	1.6
195.11714	1.1
199.14746	0.7
203.14259	0.7
209.11601	0.9
211.14915	0.8
213.16345	1.2
217.15904	0.7
219.37967	0.6
221.11755	0.8
223.13274	4.5
227.12698	4.8
227.17842	1.3
229.19557	0.9
239.17957	0.8
245.18945	1.9
247.20573	1.8
249.14839	2.7
255.17482	2.8
257.18979	2.8
263.20020	0.8
273.18451	24.9
275.20026	36.6
276.20267	1.0
291.19492	100.0
292.19772	1.8
293.21033	11.0
309.20566	11.0
431.18658	0.6
547.37762	1.0
559.23419	1.9
565.38727	1.4
577.24414	3.3
580.16638	0.7
583.39850	2.6
601.41034	1.2
636.39954	2.5
637.26569	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	636.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
53.05643	1.4
55.01859	9.3
55.05263	2.8
55.05505	39.2
57.03425	1.7
60.74052	1.5
63.88179	1.4
65.03918	3.3
66.04715	1.4
67.05495	42.0
69.03421	3.7
69.07061	25.6
69.32626	3.7
69.33028	14.5
70.77090	1.5
71.04966	5.2
71.44591	1.4
79.05055	2.9
79.05485	38.8
81.03406	13.0
81.07047	64.7
83.04975	10.8
83.08609	34.7
91.04955	2.7
91.05473	33.6
93.07030	35.8
95.01283	1.7
95.04961	45.6
95.08595	32.0
96.23805	1.5
96.48837	1.5
97.06519	29.4
97.10160	13.3
98.20734	2.5
99.08091	2.3
101.06036	1.9
103.62267	1.5
105.07015	31.8
107.04942	17.6
107.08579	27.4
109.06489	12.0
109.10152	12.6
111.04417	5.3
111.08072	10.5
115.07535	3.8
117.07011	19.6
119.04909	2.0
119.08562	29.7
121.06463	8.4
121.10136	22.9
122.89269	1.8
123.08064	16.8
123.11684	2.4
125.06038	2.3
125.09616	12.0
125.10384	2.0
128.06186	2.7
129.06976	6.1
131.08559	18.9
133.06444	3.2
133.10117	19.6
135.08043	9.8
135.11697	8.1
137.09598	6.3
139.11172	3.9
140.38754	2.2
143.08516	5.9
145.06407	2.1
145.10115	28.6
147.08008	8.8
147.11646	12.7
149.09613	26.8
149.13235	4.4
151.11148	3.9
153.09155	3.1
153.12740	2.1
155.08527	3.7
157.10057	5.0
159.08026	2.4
159.11668	14.0
161.09596	6.3
161.13220	2.0
163.11159	38.9
163.14758	1.9
165.09113	4.4
165.12740	5.8
169.10095	4.2
171.11690	5.3
173.09599	7.2
173.13240	5.0
175.11157	5.4
175.14804	2.6
177.12807	7.7
181.12115	2.1
187.11223	3.6
189.11198	15.7
189.12752	2.7
191.10602	4.5
193.12222	4.2
197.13203	2.4
205.12228	1.8
211.14731	1.7
215.17924	2.0
223.13272	38.5
227.12715	8.0
228.89024	1.7
229.19458	4.6
231.14000	1.7
239.17889	5.4
245.18947	2.4
251.71945	1.7
255.17389	2.2
257.19046	11.3
273.18451	18.2
275.20029	100.0
291.19525	71.0
293.21075	89.5
309.20596	20.8
399.03076	2.1
410.56696	1.7
565.38220	2.2
583.39642	3.2
587.36969	2.2
636.40375	7.1
637.26318	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	636.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03924	2.0
55.01864	7.0
55.05505	24.1
57.03434	3.2
57.07065	0.8
65.03941	1.5
67.01334	0.6
67.05497	28.6
69.03410	3.9
69.07058	12.2
69.89417	1.7
69.89824	2.2
71.04971	3.0
79.05482	29.5
81.03423	4.4
81.07047	52.5
83.04968	9.2
83.08133	1.1
83.08606	14.6
84.80968	0.6
85.02889	1.3
85.06519	2.4
91.05469	24.5
93.07031	23.5
95.04346	1.0
95.04955	17.1
95.08594	15.1
97.06526	6.3
97.10161	17.5
98.21088	2.0
99.04443	1.2
99.08053	0.9
103.05430	0.9
105.03358	0.7
105.07014	22.0
107.04947	8.8
107.08578	17.4
109.06494	10.8
109.10142	7.6
111.04423	6.6
111.07327	0.8
111.08031	5.3
113.06016	0.7
115.05432	1.6
116.06186	0.6
117.07001	15.1
119.05003	0.9
119.08566	26.6
121.06497	8.6
121.10114	9.5
123.04431	0.8
123.08051	7.7
123.11655	1.6
125.09614	13.1
128.06198	2.0
129.06993	6.6
130.07768	1.3
131.04893	0.8
131.08549	14.2
133.06451	3.4
133.10124	13.9
134.10504	0.7
135.04364	0.7
135.08022	7.4
135.11670	6.6
137.09593	3.5
139.11166	1.4
141.06966	1.8
142.07748	1.1
143.08546	6.9
145.06442	1.7
145.10106	16.9
147.06917	1.0
147.08029	11.2
147.11670	6.2
149.09616	10.3
149.13232	2.3
151.11162	1.4
153.09068	4.5
153.12708	2.8
155.08539	2.7
157.06482	0.7
157.10074	5.9
159.08049	1.7
159.11682	7.1
161.09599	6.1
161.13205	2.5
163.11165	11.5
165.09125	4.1
167.08466	0.7
169.10109	2.3
171.07991	0.7
171.10304	0.9
171.11642	3.9
173.09644	4.0
173.13245	2.3
175.11148	2.8
175.14783	1.1
177.09093	0.7
177.12712	2.2
179.14282	0.7
181.09955	0.7
181.12228	3.4
183.11707	2.0
185.13235	2.3
187.11102	1.8
189.11205	10.9
189.12723	1.3
189.16377	0.7
191.10672	5.0
193.12228	1.0
195.11803	0.8
195.13799	1.4
197.13312	0.8
199.11107	1.4
199.14870	0.9
200.74182	0.6
201.12794	0.7
203.14127	0.7
204.17563	0.6
205.12183	1.2
209.11725	1.8
211.13170	0.8
211.14948	0.8
213.12801	1.3
213.16476	0.8
215.14296	0.7
223.13254	5.6
227.12740	5.7
227.17967	2.0
229.19414	0.8
231.17221	0.9
237.16368	1.6
237.18535	0.7
239.18028	1.4
245.18980	3.0
247.20459	1.1
249.14946	3.2
249.18521	0.9
255.17400	3.7
257.18918	4.7
273.18454	31.0
275.20044	19.8
276.20276	0.8
291.19504	100.0
292.19901	2.2
293.21078	1.9
309.20605	6.3
449.30545	0.8
467.31464	1.4
469.33191	0.6
471.30707	0.9
485.32449	3.1
491.20670	1.1
533.25104	0.9
547.37518	1.0
565.38373	1.6
577.24500	3.8
583.39502	1.4
595.24719	1.8
636.41394	0.8
637.26453	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	636.447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27308	2.3
53.03941	2.4
55.01861	7.5
55.05500	24.8
55.57747	2.5
56.96537	3.2
58.20250	2.3
59.51992	2.1
59.85754	2.3
65.94514	2.6
67.05496	26.9
69.03419	3.7
69.07049	13.1
69.70388	18.7
79.05485	32.7
81.03390	7.1
81.07036	49.1
83.04955	9.0
83.08609	14.4
85.06541	3.0
91.05463	24.9
93.07036	22.9
95.04946	28.0
95.08591	14.2
97.06514	6.3
97.10123	17.4
98.20808	4.0
105.07024	20.9
107.04939	12.2
107.08575	19.5
109.06494	9.1
109.10156	8.1
111.04404	3.9
111.08108	2.9
117.06987	17.5
119.08571	24.8
121.02866	2.9
121.06493	7.4
121.10154	11.8
123.08060	8.4
124.99993	4.8
125.09599	16.0
128.06203	3.2
128.33275	2.5
129.06978	7.9
131.08568	15.8
133.10086	13.5
135.08025	6.6
135.11658	6.1
136.48822	2.5
137.09579	4.4
141.06937	3.8
143.08536	4.2
144.08052	5.9
145.08386	4.3
145.10066	18.4
147.08034	7.8
147.11708	4.7
149.09602	8.2
150.41318	2.6
153.09045	4.2
155.08543	3.7
157.10120	7.4
159.11665	8.3
161.01144	3.2
161.09656	6.1
163.11168	13.6
171.11673	7.1
173.09456	3.2
175.11263	3.7
176.14307	4.8
177.12747	2.7
177.14651	7.0
178.74472	2.6
181.12131	4.9
185.13269	4.8
186.00320	2.6
187.11241	3.0
189.11163	11.8
191.10652	4.9
193.12224	3.4
202.15898	42.4
203.16238	37.1
204.16530	11.3
220.17024	4.4
221.17281	3.9
223.13242	14.9
227.12769	7.8
255.17410	4.6
257.18820	5.9
273.18430	26.7
275.19992	31.3
291.19495	100.0
293.21097	10.9
300.13589	41.9
301.13867	53.3
302.14151	29.5
309.20526	8.8
318.59131	2.9
322.65363	3.0
358.33188	2.5
380.76517	2.6
595.24353	13.9
636.43622	13.5
637.26410	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	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31305	1.6
57.98945	1.4
71.27634	2.9
76.86923	1.5
81.07063	2.3
83.08612	1.7
94.06540	2.1
95.08575	1.8
116.67062	1.8
119.02071	1.7
154.06404	1.7
156.07962	2.0
162.05455	3.2
168.08081	2.3
173.13736	1.9
181.07541	2.4
183.09171	2.3
193.07581	4.2
194.08362	2.9
195.09158	9.5
196.09958	4.5
197.10748	4.6
207.09167	6.9
208.09981	5.3
209.07063	1.6
209.10722	12.7
210.07806	2.9
210.11497	8.8
211.08574	2.1
211.12268	3.4
212.13084	3.6
221.07137	4.2
222.08125	1.9
222.11531	1.6
223.08691	10.9
223.12299	8.5
224.09406	24.9
224.13092	4.6
225.10312	10.8
225.13768	10.1
226.14662	2.8
235.08601	8.9
236.09448	4.8
237.06569	1.8
237.10211	4.2
238.11012	3.8
239.08177	3.0
249.06586	2.4
250.11124	1.9
251.08133	5.7
251.11778	6.5
253.13335	32.1
255.11235	5.3
256.12064	7.0
263.08136	6.2
264.08997	7.5
265.05823	1.8
265.09741	4.4
266.10522	2.7
269.09204	3.3
270.13660	2.6
271.14447	4.2
272.07788	2.2
278.06778	1.7
279.07983	2.6
279.11285	8.0
281.09195	6.4
281.12659	4.5
283.10745	2.4
291.07602	8.3
292.19385	1.6
293.09372	2.8
295.07236	2.5
297.12244	6.4
300.11017	3.6
309.08499	2.0
310.09467	6.9
311.10245	3.5
318.12015	2.0
323.10312	1.7
325.11893	7.9
337.07990	2.4
351.09741	19.2
369.10779	45.0
456.15225	2.2
477.43286	1.8
503.21130	3.1
517.22284	8.2
573.20905	4.9
577.24414	31.6
605.23834	100.0
606.24225	1.9
637.26349	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	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93031	0.4
67.05451	0.8
68.16643	0.3
69.07007	0.4
79.05415	0.6
81.07015	0.4
85.42455	0.3
91.05413	0.7
93.06963	0.8
98.21114	2.1
105.06953	0.8
110.52924	0.4
207.09100	0.4
221.10608	0.5
222.11510	0.4
249.10294	0.4
293.58679	0.4
298.13519	0.4
362.15665	0.5
363.16196	0.7
374.16132	0.5
375.16971	0.7
376.16846	0.7
377.17636	2.5
378.18289	1.1
379.19189	0.5
386.15591	0.9
387.15909	0.9
388.17514	1.0
389.17947	0.8
390.18716	0.8
391.19205	3.1
392.19928	2.2
393.20648	3.4
399.16040	1.6
400.16968	2.2
401.17566	2.8
402.18689	0.8
403.19214	1.1
405.16321	0.8
405.21262	2.1
406.21640	0.8
407.22348	6.2
408.22668	0.5
413.17722	2.0
414.18591	2.1
415.19400	5.6
416.19781	1.4
417.20941	1.2
418.17966	0.7
419.18301	0.7
419.22495	1.0
420.19177	0.6
421.20059	3.8
425.17654	0.9
427.19699	0.9
428.20251	2.9
429.21503	4.8
430.21426	1.6
431.18555	1.4
432.19858	0.4
433.15466	0.6
433.20239	1.6
434.20865	0.7
435.21555	3.9
436.22568	1.2
439.19266	0.4
441.17328	1.1
442.18103	1.2
443.18344	3.3
443.22705	2.3
444.18704	2.8
445.20502	2.9
446.21228	0.8
447.16980	2.2
447.22568	0.9
448.18787	0.8
450.19736	0.4
455.18832	0.5
456.19501	1.0
457.20523	3.7
458.21320	2.6
459.17453	1.7
461.19632	2.3
462.20349	1.2
463.21249	1.5
469.16745	1.2
470.17145	0.7
471.22476	4.9
472.22336	2.7
473.19464	4.7
474.20468	2.6
475.16882	1.0
475.21875	1.0
476.18146	0.4
484.18835	1.0
485.19931	3.1
486.20413	4.7
487.21176	1.6
488.21976	0.6
489.19028	2.2
489.23035	2.0
490.19427	4.0
491.20752	1.4
498.20627	0.6
499.21207	8.6
500.23074	2.0
501.18713	1.1
501.23941	0.7
502.19882	1.1
503.21045	1.5
503.24142	1.9
504.21066	0.6
507.23785	0.6
511.20782	0.5
513.19159	6.1
514.19751	1.3
516.21820	1.7
517.22369	12.6
517.30054	0.7
518.19995	1.2
519.20087	1.0
521.25537	1.6
522.26221	0.6
527.20892	2.4
528.21503	1.1
529.22797	1.7
530.20996	0.4
531.24304	10.7
532.23676	0.5
535.22827	0.5
541.22729	0.5
543.23962	1.3
545.21918	1.6
549.24884	6.8
559.23328	54.3
560.23840	1.6
573.21063	0.7
577.24762	2.6
578.25165	0.5
587.22845	11.0
588.22321	0.5
591.25922	2.9
605.23840	6.4
609.26880	1.0
619.25403	59.1
620.25500	2.1
637.26447	100.0
638.26697	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	637.2645
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
62.11005	0.2
67.05470	0.5
69.07034	0.2
70.13047	1.3
79.05448	0.2
81.07012	0.6
83.08611	0.2
91.05434	0.3
97.30611	0.3
98.21079	0.6
102.59995	0.3
105.06951	0.3
110.45213	0.2
195.09219	0.4
196.92592	0.3
221.10660	0.7
234.11533	0.3
235.12314	0.3
247.99289	0.2
291.19571	0.4
310.13416	0.5
322.13782	0.3
322.98099	0.2
324.14920	0.3
336.15335	0.3
360.14520	0.4
361.15305	0.4
363.16205	0.6
372.14658	0.3
374.16693	0.7
375.16937	0.3
376.17731	0.4
377.17569	1.0
378.18439	0.8
381.98309	0.3
385.14590	0.8
386.15607	1.0
387.16205	0.9
388.17865	0.5
389.18039	0.8
390.18756	0.7
391.19321	1.2
392.19839	1.1
393.20685	2.4
398.15546	0.4
399.16208	1.8
400.16953	2.3
401.17645	3.6
402.18472	0.8
402.55350	0.3
403.19275	0.8
405.21033	0.7
407.22284	2.9
410.15543	0.4
411.16238	0.6
412.17404	0.4
413.17624	2.4
414.18588	4.0
415.19351	8.2
416.20001	1.0
417.21384	1.4
418.18234	0.5
419.18140	0.4
419.22562	0.7
421.20160	2.5
425.17755	1.3
427.19556	2.2
428.20383	3.4
429.21262	8.4
430.21841	2.4
431.18854	0.8
433.16125	0.5
434.21103	0.3
435.21472	1.7
436.22473	0.8
437.17511	0.5
439.19193	1.0
440.20065	0.3
441.16663	1.5
442.16965	1.7
443.18335	3.9
443.22678	3.2
444.18793	5.3
445.20395	2.8
446.20950	0.4
447.17807	0.8
448.19016	0.4
455.18600	0.9
456.19815	1.7
457.20386	5.7
458.21121	3.8
459.17871	0.9
459.22891	0.4
461.19852	0.8
462.20499	0.4
463.21127	0.4
469.16583	0.9
470.16864	0.6
471.22202	8.1
472.23203	5.4
473.19482	5.4
474.20636	0.9
475.21844	0.6
476.18079	0.5
483.18201	0.5
484.19043	1.1
485.19629	3.5
486.20468	7.5
487.21320	2.8
488.21826	1.1
489.22726	1.3
490.19638	2.9
491.20660	0.8
498.20630	0.5
499.21228	12.3
500.22760	3.6
501.22308	0.5
502.19989	1.1
503.24753	5.5
504.21988	0.5
513.19061	1.2
514.19946	1.0
516.21692	2.1
517.22266	4.5
518.19318	0.4
521.25281	0.8
527.20673	3.4
528.21765	1.4
529.21857	0.3
530.22961	0.7
531.23932	15.5
532.23743	0.3
541.22400	0.7
543.23975	1.8
544.20856	0.6
545.21356	0.8
549.24951	1.2
559.23340	91.9
560.23633	1.8
577.25067	0.3
587.22845	15.9
591.25043	0.4
605.23749	0.6
619.25421	100.0
620.25775	1.4
637.26483	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	1.6
57.07066	0.7
67.05499	2.9
69.07050	2.5
69.57806	4.0
73.41396	0.5
79.05447	1.8
81.03356	0.6
81.07047	3.9
83.04935	0.6
83.08573	1.6
84.42409	0.4
91.05460	1.6
93.07002	2.0
95.04912	1.0
95.08564	2.2
97.06499	1.2
105.06966	1.8
107.08537	2.1
109.06454	0.6
109.10112	1.0
117.07019	0.7
119.08539	1.5
121.10104	0.8
122.43565	0.5
129.06987	1.2
131.08507	1.7
133.10075	1.2
135.11702	0.8
143.08510	1.4
144.08072	0.6
145.10046	1.5
146.41792	0.5
146.86079	0.6
147.04280	0.9
147.11700	1.0
155.08493	0.8
157.10152	0.6
159.11644	1.3
167.08521	0.6
169.10091	1.9
171.11607	0.8
173.13239	0.6
176.14296	0.9
181.10121	0.7
183.11617	1.4
185.13327	0.7
194.62579	0.5
197.13190	0.8
202.15878	4.1
203.16223	1.4
209.13234	0.8
213.16321	0.8
225.16223	0.5
225.38020	0.5
227.17854	0.5
255.17331	0.6
273.18732	0.5
274.35568	0.5
291.19470	0.8
300.13556	3.3
301.13870	1.4
367.92188	0.5
386.15549	0.7
389.18176	0.8
390.19586	0.6
391.19141	0.7
399.16315	1.7
400.17065	1.6
401.17542	3.1
402.18726	0.6
405.20871	1.5
413.17709	1.8
414.18695	2.8
415.19312	7.7
416.20236	1.3
417.21173	1.2
419.23001	0.7
425.17731	1.1
427.19571	0.9
428.20029	2.9
429.21378	6.5
430.21997	2.6
431.22580	1.0
433.20264	1.6
435.21814	1.1
441.16904	1.9
442.17804	1.2
443.18448	3.5
443.22842	2.3
444.18777	3.6
445.19830	2.6
446.21024	0.9
447.17432	1.0
448.18198	0.8
456.19577	0.9
457.20367	4.9
458.21271	2.9
459.21661	1.7
460.18753	0.6
461.19644	2.1
462.20337	0.9
463.21494	0.8
471.22198	5.5
472.23108	3.1
473.23883	1.1
474.20282	1.0
475.21320	1.2
476.18253	1.0
485.19696	1.7
486.20432	5.2
487.21301	3.7
488.21951	1.6
489.22690	1.7
490.19864	2.1
491.20844	1.8
499.21353	5.8
500.21997	1.8
501.23157	2.7
502.19986	0.6
503.25186	3.4
516.21576	1.2
517.22345	4.0
527.20679	1.2
531.23901	15.6
532.25079	0.8
545.21954	4.9
545.44073	0.8
549.24988	1.8
559.23383	100.0
560.23730	3.4
577.24390	9.7
591.25806	1.1
609.27319	0.7
619.25494	11.9
619.47272	1.4
637.26526	75.9
637.48840	6.4
638.26703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.265
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05501	1.2
67.05509	1.3
69.07050	0.5
69.65409	1.5
69.65820	0.5
79.05484	1.2
81.07052	1.8
83.04974	0.7
83.08617	0.3
90.19205	0.2
91.05475	1.5
93.07049	1.5
95.04954	0.5
95.08591	1.2
97.10176	0.4
98.21439	0.4
105.07004	1.3
107.08600	1.0
108.08121	0.3
108.08916	0.5
109.06520	0.4
109.10155	0.5
117.07018	0.5
119.04951	1.0
119.08581	0.8
121.06506	0.3
121.10144	1.1
123.08087	0.5
125.09578	0.3
127.50924	0.3
129.06966	0.3
131.08551	0.8
133.10158	0.7
142.05779	0.3
145.10129	0.8
147.04407	3.3
148.04735	1.3
149.09648	0.3
159.11746	0.5
161.13194	0.4
171.11641	0.3
173.13266	0.3
201.16418	0.5
204.17499	0.6
205.17830	0.3
209.25449	0.3
223.12193	0.3
272.12137	0.3
273.18542	0.6
274.50912	0.3
275.20020	0.7
291.19406	1.6
298.13693	0.3
302.15314	0.7
303.15320	0.3
375.16180	0.3
387.16092	0.8
388.16809	0.7
389.17462	1.5
390.18320	0.7
391.19193	0.6
401.17978	1.4
402.18646	1.5
403.19421	1.9
404.19995	0.8
405.20847	0.9
415.19250	0.9
416.16330	1.1
416.20911	0.5
417.17032	2.0
417.21024	1.6
418.21796	0.5
419.22421	3.5
429.16736	1.5
430.17792	1.2
431.17773	2.5
432.19446	0.8
432.50293	0.3
433.20554	0.5
435.18036	0.7
443.18680	0.8
444.19501	0.7
445.20044	4.9
446.21182	3.0
447.22815	2.0
448.19196	0.5
449.19855	0.9
454.34143	0.4
457.16470	0.5
459.22220	0.6
461.15201	1.7
462.21146	0.4
463.21609	3.2
464.21893	0.5
471.17783	0.6
473.23602	0.3
475.16641	2.1
476.18539	1.2
477.18723	1.7
489.18802	2.6
490.19934	6.9
491.20673	11.7
503.20667	3.4
504.21570	1.0
517.22504	2.1
518.23315	0.4
521.21387	0.4
533.25470	6.1
535.19977	0.9
536.24683	0.3
545.22052	0.8
549.24432	1.7
559.23761	0.4
562.22418	0.4
577.24396	27.0
578.24493	1.0
593.27618	1.3
605.23950	0.9
609.26715	0.4
619.25415	0.4
637.26471	100.0
638.26770	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05500	3.4
57.03416	0.5
57.07066	0.7
65.03934	3.1
67.05497	3.9
68.05826	0.7
69.03391	0.5
69.07069	2.4
71.63705	0.5
79.05486	3.6
80.05785	1.2
81.07053	7.3
82.07365	1.5
83.04971	11.8
83.08601	1.5
84.05300	2.4
86.50297	0.4
89.32947	0.5
91.05466	17.9
92.05809	4.9
93.07037	8.3
93.36477	0.5
94.07342	1.8
95.04945	1.8
95.08592	10.8
96.05360	0.6
96.08913	3.1
97.06503	1.1
97.10122	0.9
98.10517	0.6
98.20714	1.5
105.07014	7.5
106.07339	2.6
107.08575	11.2
108.08887	2.9
109.06519	1.6
109.10137	5.7
110.10519	2.6
110.11192	0.5
111.08066	1.0
112.08411	0.6
117.07011	0.9
119.04930	28.0
119.08567	11.5
120.05263	9.5
120.08858	4.1
121.05536	1.2
121.06471	0.7
121.09270	0.8
121.10123	7.0
122.10471	2.0
123.04441	0.6
123.08036	1.9
123.11676	1.9
124.12003	0.9
125.09573	2.8
126.09947	0.8
131.08556	3.7
132.08890	1.4
133.10126	7.0
134.10435	3.4
135.08028	0.6
135.11700	4.2
136.12032	2.2
143.08525	0.9
145.10104	6.7
146.09447	0.5
146.10399	3.1
147.04393	100.0
147.11679	5.0
148.04724	43.7
148.12015	1.8
149.04932	6.8
149.13231	1.6
150.13583	1.1
157.10109	2.2
158.10548	0.9
159.11673	6.7
160.12007	4.3
161.13295	4.8
162.13596	1.9
163.07443	0.7
163.11148	0.6
163.14815	1.4
164.15193	1.0
165.05501	5.1
166.05788	1.8
170.10454	0.5
171.11696	1.1
172.12143	0.8
173.09627	0.6
173.13200	3.2
174.13602	2.1
175.14865	3.3
176.15181	1.7
177.09093	0.5
177.16386	2.1
178.16769	1.1
183.11719	0.6
185.13228	0.7
186.13676	0.5
187.14804	4.4
188.15160	3.8
189.16383	5.2
190.16714	3.9
191.14287	0.7
191.18019	2.6
192.18286	1.1
197.13275	0.8
199.14825	1.2
200.15192	1.0
200.73720	0.6
201.16344	6.4
202.16722	4.6
203.14255	1.0
203.17856	2.2
204.18358	1.6
205.15855	2.5
206.16232	1.4
213.16437	1.4
214.16777	0.6
215.17950	3.6
216.18279	2.9
217.15839	0.8
218.16219	1.1
219.17412	1.9
220.17769	1.3
221.15312	1.2
222.15845	0.9
229.19548	0.8
230.19890	0.5
235.16899	1.0
236.17323	1.4
247.16905	2.1
248.17288	2.3
249.18173	0.6
250.18916	0.6
261.18488	2.3
262.18842	1.6
275.20053	1.0
293.45703	0.6
312.23981	1.0
325.28906	0.5
326.29398	1.2
327.29550	0.6
357.28052	0.6
372.29681	0.9
375.17490	0.7
387.15976	0.7
389.32306	0.6
390.32419	1.5
391.19064	1.1
392.20166	1.2
393.20770	1.9
395.29425	0.6
396.30142	1.2
397.29950	0.7
398.16269	0.8
399.16141	1.4
400.16867	2.1
401.17532	3.1
405.20825	0.6
407.22433	1.4
407.33212	2.2
408.33386	4.8
409.33829	3.4
413.17740	2.1
414.18481	4.0
415.19153	7.9
416.19781	1.5
421.20145	2.0
425.17639	0.8
426.34613	1.6
427.19247	1.6
427.34744	1.1
428.20462	2.8
429.15793	1.0
429.21246	6.4
430.21426	1.9
433.20288	0.6
434.21463	0.6
435.21674	0.8
435.32544	0.8
436.22882	0.8
436.32782	2.7
437.33270	1.9
439.19037	1.2
441.17050	1.4
442.17807	1.5
443.18259	2.5
443.22601	2.7
444.18924	4.1
445.20151	2.4
447.17593	0.8
453.33716	3.2
454.33969	8.6
455.18799	1.1
455.34174	8.0
456.19434	1.1
457.20496	4.6
458.21320	2.8
459.17740	1.1
462.20520	0.7
471.22336	4.6
472.23163	4.1
473.19556	3.7
474.20752	1.2
485.19543	2.4
486.20386	4.9
487.21124	2.1
488.21796	0.8
489.22986	0.8
490.20163	2.4
499.21225	9.4
500.21750	2.0
503.24759	3.3
513.19281	1.2
514.20154	0.6
516.21552	1.7
517.22375	2.2
521.25769	0.8
527.20581	2.2
528.21649	1.2
530.22064	0.9
531.23865	11.6
539.37054	0.7
545.21552	0.6
549.24872	1.2
559.23334	80.3
560.23792	2.2
587.22845	11.6
619.25439	96.1
620.25684	2.1
637.26544	15.5
637.37384	0.9
637.41473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94552	0.3
70.42554	1.4
77.06303	0.3
81.06844	0.3
91.83381	0.3
98.21265	0.7
101.53584	0.4
109.20798	0.3
126.99490	0.4
218.83780	0.4
221.10597	0.4
285.04373	0.3
359.13644	0.4
374.16354	0.7
375.16742	0.5
377.17520	0.8
388.17563	0.7
389.18506	1.0
390.18573	0.7
391.19128	2.0
392.19897	1.3
399.16165	0.9
400.16833	1.4
401.17380	1.7
402.18893	0.9
403.19449	1.0
404.20798	1.7
405.20746	5.2
406.21475	5.2
407.22351	0.4
412.17596	0.9
413.17609	1.7
414.18314	3.5
415.19235	5.6
416.20200	0.7
417.20840	1.5
419.17435	0.5
419.22766	2.2
420.23062	5.3
421.23849	10.3
427.19284	1.9
428.20035	3.1
429.20819	13.0
430.21793	2.7
431.18521	1.4
431.22891	1.2
432.23019	1.0
433.18921	2.1
433.24011	2.2
434.24649	1.4
441.16080	0.5
441.21460	0.8
442.21844	2.2
443.22437	8.3
444.23669	4.3
445.19885	4.6
446.20978	1.3
447.18076	2.1
448.22275	0.6
449.27597	0.5
452.22150	0.6
455.18643	1.2
456.19485	1.3
457.19272	1.6
457.23792	3.9
458.24979	8.1
459.21741	9.7
460.22601	5.0
461.19363	8.8
462.20102	0.8
469.20218	0.7
470.21091	1.8
471.22675	2.2
472.22632	8.4
473.18823	1.3
473.23364	2.3
474.20395	1.0
475.20645	3.3
476.21863	8.0
477.27060	0.5
483.18414	0.5
484.18350	0.7
485.23425	17.0
486.20053	2.0
486.24078	4.1
487.20529	2.9
488.21979	5.2
489.22830	2.0
490.23471	1.1
491.24063	1.0
492.25168	0.6
493.22467	0.8
499.21365	1.4
500.22278	2.1
502.23743	1.5
503.24380	22.7
504.21915	1.3
505.22565	1.2
513.22815	4.4
514.23456	2.7
517.26013	9.4
519.24518	0.7
529.25940	2.6
530.22699	0.6
535.27026	28.1
536.27313	0.9
545.25439	84.8
546.25763	2.7
547.26147	0.4
549.25201	1.1
558.22327	0.6
563.26495	7.5
573.24927	22.1
574.24915	0.7
577.27850	1.5
578.28436	3.0
605.27515	60.7
606.27765	1.0
637.30157	100.0
638.30560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42333	0.4
70.06520	2.4
70.63815	0.4
73.28858	0.5
82.22483	0.4
90.01225	0.4
98.21023	1.0
119.56914	0.4
153.26961	0.5
214.30482	0.5
223.12248	0.5
245.52354	0.4
391.19437	0.7
401.17569	0.9
403.19205	1.4
405.20950	0.9
415.19263	1.6
416.20255	0.8
417.16196	0.7
417.20834	2.0
419.22318	1.9
420.23425	0.6
429.16290	0.6
429.21155	1.0
430.17368	2.8
431.17780	2.5
431.23398	0.9
432.23410	1.5
435.21799	0.6
442.93420	0.5
443.18115	2.3
444.18906	2.4
445.20084	10.7
446.21091	2.8
447.21848	1.5
457.20377	1.3
458.21063	8.4
459.21570	6.3
460.22653	7.0
461.19382	4.6
462.20444	1.0
471.21790	0.8
472.22552	0.7
473.23636	0.8
475.20984	2.3
476.22278	1.3
477.22852	2.0
486.24463	0.8
490.24255	0.8
491.24420	1.8
502.24628	0.5
503.20892	0.8
504.25012	1.4
505.22696	1.6
506.85364	0.5
517.22058	1.0
517.74060	0.5
518.23010	5.6
519.23132	0.6
530.23291	0.8
531.24158	1.2
532.24255	0.7
533.25824	2.6
535.23370	1.7
545.25403	3.1
546.26263	1.5
547.27185	0.8
549.24921	1.7
562.25800	0.7
563.26819	0.9
573.24982	0.6
577.28296	3.7
590.24554	0.6
591.25946	0.6
592.27197	0.8
605.27448	17.2
606.28149	1.9
637.30115	100.0
638.30566	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83452	1.4
51.06416	1.4
53.03926	5.8
55.01858	2.5
55.05506	19.4
56.96533	1.5
57.03429	7.8
65.03918	3.6
67.05496	56.9
67.79913	1.4
69.03423	13.6
69.07056	15.7
71.04978	7.2
72.37697	1.4
79.05480	59.1
81.03408	30.9
81.07044	70.0
83.04974	17.0
83.08598	10.4
85.02896	5.1
85.06538	3.9
91.05469	47.5
93.07034	62.1
93.97639	1.5
95.04952	19.1
95.08591	26.5
97.02892	7.2
97.06509	7.2
97.10159	4.0
98.21106	8.1
99.04456	3.8
99.08096	2.0
105.04522	1.8
105.07014	37.6
107.04942	9.8
107.08589	25.7
109.02864	4.4
109.06511	8.8
109.10113	6.2
111.04431	4.8
111.08091	2.1
117.06995	12.1
119.08565	21.3
121.06465	5.4
121.10123	11.7
123.08073	5.5
123.11699	3.2
127.03920	7.0
129.05525	3.1
129.06970	10.8
131.08559	11.6
133.06465	3.5
133.10114	13.4
135.07970	2.3
135.11668	5.9
143.08578	7.9
145.06422	2.7
145.10129	7.4
147.08029	3.4
147.11667	28.9
149.13235	9.3
155.08559	2.1
159.11667	9.2
161.09622	2.4
161.13232	6.7
165.12730	2.2
169.10100	2.0
171.07979	1.9
171.11678	17.0
173.13269	2.1
177.12752	3.6
183.11711	1.9
189.12679	8.2
195.12167	1.5
195.13716	8.0
201.84486	1.5
207.13762	22.5
225.14793	2.1
229.74977	1.8
267.15991	2.5
269.17532	7.9
273.18555	2.0
281.17416	42.5
285.14948	1.7
321.16684	1.5
337.27341	2.0
339.18005	4.5
371.40228	1.6
395.20663	5.4
413.21744	19.9
457.29355	4.8
475.30518	100.0
476.30807	2.5
616.75305	1.7
619.34625	46.8
620.35559	2.0
637.40997	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	637.3574
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
50.83452	1.4
51.06416	1.4
53.03926	5.8
55.01858	2.5
55.05506	19.4
56.96533	1.5
57.03429	7.8
65.03918	3.6
67.05496	56.9
67.79913	1.4
69.03423	13.6
69.07056	15.7
71.04978	7.2
72.37697	1.4
79.05480	59.1
81.03408	30.9
81.07044	70.0
83.04974	17.0
83.08598	10.4
85.02896	5.1
85.06538	3.9
91.05469	47.5
93.07034	62.1
93.97639	1.5
95.04952	19.1
95.08591	26.5
97.02892	7.2
97.06509	7.2
97.10159	4.0
98.21106	8.1
99.04456	3.8
99.08096	2.0
105.04522	1.8
105.07014	37.6
107.04942	9.8
107.08589	25.7
109.02864	4.4
109.06511	8.8
109.10113	6.2
111.04431	4.8
111.08091	2.1
117.06995	12.1
119.08565	21.3
121.06465	5.4
121.10123	11.7
123.08073	5.5
123.11699	3.2
127.03920	7.0
129.05525	3.1
129.06970	10.8
131.08559	11.6
133.06465	3.5
133.10114	13.4
135.07970	2.3
135.11668	5.9
143.08578	7.9
145.06422	2.7
145.10129	7.4
147.08029	3.4
147.11667	28.9
149.13235	9.3
155.08559	2.1
159.11667	9.2
161.09622	2.4
161.13232	6.7
165.12730	2.2
169.10100	2.0
171.07979	1.9
171.11678	17.0
173.13269	2.1
177.12752	3.6
183.11711	1.9
189.12679	8.2
195.12167	1.5
195.13716	8.0
201.84486	1.5
207.13762	22.5
225.14793	2.1
229.74977	1.8
267.15991	2.5
269.17532	7.9
273.18555	2.0
281.17416	42.5
285.14948	1.7
321.16684	1.5
337.27341	2.0
339.18005	4.5
371.40228	1.6
395.20663	5.4
413.21744	19.9
457.29355	4.8
475.30518	100.0
476.30807	2.5
616.75305	1.7
619.34625	46.8
620.35559	2.0
637.40997	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	638.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01867	2.3
55.05503	15.5
57.03442	1.4
65.03925	1.2
67.05495	17.8
69.03429	1.8
69.07061	10.7
71.62358	2.1
77.06053	1.3
77.13248	1.1
79.05477	17.5
81.03397	8.1
81.07042	25.1
83.04969	5.3
83.08611	15.6
85.06528	1.6
91.05470	15.9
93.07029	19.4
95.04955	20.8
95.08589	15.8
97.06519	3.1
97.10149	5.0
98.21019	1.4
105.07020	17.4
106.51613	1.2
107.04961	8.3
107.08578	15.6
109.06506	4.8
109.10155	6.5
111.08066	2.9
117.07011	4.9
119.08573	18.2
121.06506	4.4
121.10127	10.0
123.08081	3.4
125.09605	5.0
129.07016	3.7
131.08566	8.9
133.06491	1.5
133.10120	16.5
134.10402	1.3
135.08087	3.0
135.11664	3.5
137.09616	3.6
139.11111	2.2
141.06981	2.4
143.08559	3.1
145.06413	2.0
145.10107	12.0
147.08029	2.6
147.11694	9.0
149.09587	13.9
149.13231	1.6
151.11163	2.5
155.08530	2.3
157.10138	3.7
159.11676	7.0
161.09569	1.6
161.13208	2.3
163.11145	16.9
165.12791	3.1
169.10071	2.6
171.11700	3.6
173.09604	3.8
173.11823	1.4
173.13245	4.8
177.12735	1.3
183.11603	2.2
185.13225	1.4
187.11221	3.1
189.11220	4.5
191.10635	1.4
197.13316	1.8
202.15273	1.3
223.13258	15.0
229.19456	2.3
239.18010	5.6
247.20648	2.0
249.10315	1.6
253.18318	1.4
257.18933	8.3
275.20026	100.0
275.49591	1.4
276.20389	2.3
291.19690	2.4
292.20010	1.5
293.21051	58.8
368.52817	1.3
417.16382	1.4
418.16791	1.4
420.19229	1.5
430.17865	1.8
431.18549	1.3
432.18762	2.1
434.20432	1.9
436.22244	1.4
462.20029	2.3
464.21783	3.3
491.20386	2.4
492.21017	2.2
550.25146	4.9
560.23608	1.5
578.24658	9.9
597.23523	1.8
620.25629	4.6
638.26727	55.8
639.27484	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	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
71.98507	1.0
97.33691	1.0
98.21610	1.8
113.41405	1.2
136.55240	1.1
154.89586	0.9
168.55365	1.0
197.10693	1.7
209.10713	3.1
210.11461	2.0
211.12292	2.5
223.08595	1.3
223.12308	3.3
224.13066	1.7
225.10472	1.0
225.13895	2.1
226.14272	1.1
227.12016	1.3
229.84476	1.1
237.10289	1.8
237.13831	3.2
238.14497	1.2
239.08145	1.2
239.11784	1.7
239.15430	2.1
247.08736	1.1
249.10307	1.4
249.14008	1.4
251.11696	1.6
253.13425	3.1
265.09741	1.0
265.13419	1.8
266.14108	2.6
267.14771	2.2
314.12921	1.4
316.22580	1.1
328.18057	1.3
330.12228	1.4
331.17108	1.2
353.11221	1.4
358.15295	1.4
363.12900	1.3
401.18002	1.5
403.19232	3.3
404.19861	1.8
409.20038	1.3
415.19650	1.3
416.19879	1.9
417.20767	3.7
418.16940	1.6
418.21756	3.3
423.22226	1.1
429.17300	3.6
430.17560	1.3
431.18579	5.5
431.22931	3.6
433.23944	10.0
435.18082	1.8
436.18451	1.3
437.24326	1.4
444.19238	7.7
445.19861	8.7
446.20728	2.3
448.18484	2.0
449.19489	2.2
450.20264	3.0
451.21234	1.5
459.21768	69.2
460.22525	14.2
461.23502	10.1
473.23416	3.6
475.20798	3.5
477.18417	1.4
487.20731	1.8
487.25897	1.2
491.25092	1.8
492.20865	2.1
493.22058	1.3
501.22839	1.3
519.23517	12.2
521.21979	1.4
531.24084	3.8
536.23645	1.2
538.21747	1.8
546.26086	2.2
547.19269	1.8
547.27112	36.4
551.26550	4.8
553.24371	1.5
561.25067	2.1
563.26123	1.9
564.23114	1.8
566.24731	1.8
574.25702	2.8
575.22797	1.7
576.23718	1.3
579.26215	8.7
580.26355	4.7
589.24579	1.6
591.25964	4.1
593.24060	2.8
596.25751	5.2
606.28290	100.0
607.25378	21.9
608.28674	1.8
610.26227	3.3
611.28625	10.4
621.27020	4.1
622.27704	6.2
624.25269	3.2
639.27911	76.3
640.28131	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	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.43432	0.7
52.01608	0.6
64.80329	0.6
66.23586	0.6
68.69889	0.6
69.30372	8.0
98.21106	3.4
235.12473	0.7
256.07071	0.9
261.14255	0.9
375.16010	0.8
377.17706	1.5
378.18542	0.7
389.18033	1.1
390.18356	1.7
391.19043	4.3
392.20078	3.4
393.20715	0.7
403.19528	1.6
404.20108	2.0
405.20721	9.9
406.21448	4.4
407.22305	10.4
408.23273	0.8
417.20889	1.4
418.21527	1.1
419.22531	3.9
420.23074	3.9
421.23874	13.8
422.24780	2.3
433.24234	4.2
434.24582	2.4
435.18185	0.8
435.25690	0.9
436.18848	1.8
445.20135	1.4
447.21515	1.0
449.19617	1.2
450.20642	1.8
451.21365	9.2
452.21848	2.0
460.22723	0.7
461.23712	0.9
463.21017	1.1
465.22864	13.1
466.23495	1.3
473.19955	0.9
477.22864	1.2
478.23605	0.9
479.24469	1.2
487.21313	1.8
488.21817	1.7
489.22488	1.2
491.20029	1.0
493.25793	1.6
501.22876	1.3
503.24387	9.9
504.24835	1.4
507.27643	7.1
508.28360	3.1
523.23413	2.9
535.27026	14.2
536.27765	1.6
537.24835	5.0
551.26074	3.6
552.27161	15.0
553.27094	0.9
561.24866	2.8
562.25812	0.9
579.25653	7.4
580.26471	4.4
595.29083	6.8
621.27100	17.2
639.28040	100.0
640.28162	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.45213	0.2
53.03946	0.2
54.76109	0.1
55.01858	0.4
55.05490	0.7
58.05349	0.2
67.05498	1.3
68.77603	0.2
69.07050	0.7
69.50020	0.8
69.50433	0.7
71.05013	0.2
71.83705	0.2
79.05473	1.0
81.03431	0.2
81.07048	1.7
89.85371	0.2
91.05479	0.7
93.07021	0.9
95.04961	0.4
95.08601	0.7
97.06537	0.3
101.33704	0.2
105.07003	1.1
107.04903	0.3
107.08590	0.4
109.06519	0.3
109.10175	0.4
117.07017	0.3
119.08578	0.8
121.06493	0.2
121.10069	0.3
123.08042	0.2
129.07010	0.2
131.08548	0.4
133.10120	0.5
134.09622	0.2
143.08533	0.2
145.10107	0.5
147.11707	0.3
149.09642	0.2
157.10118	0.3
163.11174	0.2
197.10658	0.2
204.06569	0.5
204.18762	0.2
211.08669	0.2
211.12201	0.2
225.10239	0.4
227.11923	0.3
237.10153	0.3
237.13963	0.2
239.11676	0.3
241.13457	0.3
243.78510	0.2
249.10265	0.4
251.11862	0.4
252.42618	0.2
253.13449	0.3
265.13565	0.2
273.18515	0.4
275.20071	1.2
275.71594	0.2
276.20334	0.3
283.14615	0.2
285.12463	0.2
291.19568	0.6
293.21027	0.3
300.14972	0.3
311.14008	0.2
314.12814	0.4
316.14478	0.3
326.12881	0.3
328.14304	0.3
340.14548	0.2
354.12109	0.2
354.16196	0.2
356.17435	0.3
366.16129	0.2
377.17889	0.4
379.19388	0.3
392.16068	0.4
393.16479	1.0
393.20923	0.6
400.16675	0.3
403.15768	0.3
405.17099	0.7
406.17874	0.9
407.18472	2.0
408.19214	0.3
409.20465	0.3
412.16867	0.3
415.19327	0.3
417.16971	0.4
418.17947	0.6
419.14630	0.5
419.19498	1.0
420.15631	0.7
420.20148	0.5
421.20380	5.1
422.20978	1.5
423.21799	0.6
431.18991	0.3
432.19678	0.5
433.15439	0.3
433.21017	1.2
434.16672	1.4
434.22482	0.3
435.17169	2.7
435.22580	0.8
436.22867	2.2
437.23282	0.3
445.16550	0.7
446.16968	0.2
446.21622	0.3
447.17197	0.4
447.21985	0.9
448.18607	2.1
449.19614	9.1
450.20309	2.8
451.21423	0.4
458.17325	0.2
459.18124	0.7
460.19080	0.7
461.19952	1.2
462.20380	0.6
463.21616	5.5
464.22104	5.7
465.22757	0.8
474.20294	0.8
475.21490	1.8
476.18298	0.4
477.18753	5.6
478.19812	2.0
479.20645	0.7
481.22339	0.3
488.21735	0.3
489.19223	0.3
491.20197	1.1
492.21255	1.0
493.22791	1.1
495.24124	0.3
504.21512	0.2
505.22733	1.0
507.24561	1.1
509.26404	0.4
519.23608	0.3
521.21259	0.9
522.26294	0.2
523.22968	1.8
533.20947	1.2
535.23615	3.2
536.24048	1.3
537.21906	1.4
547.23602	0.3
549.21771	0.5
550.25739	1.3
551.26593	3.1
553.25110	0.3
561.24976	3.8
562.24988	0.3
563.23389	0.4
564.23663	4.6
565.24384	2.8
567.25598	0.4
578.25354	0.3
579.26001	6.2
580.26056	0.3
581.24261	0.6
592.23047	0.6
593.27155	0.3
595.25391	2.7
596.26318	1.1
607.25671	0.6
609.23431	0.4
610.27344	0.8
611.28540	0.3
621.27026	2.8
621.41595	0.4
624.25684	5.0
639.28046	100.0
640.28314	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	639.2803
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03930	1.0
55.01859	1.1
55.05501	1.8
59.69917	0.4
60.44329	0.4
62.88029	0.4
67.05499	3.2
68.47410	0.4
69.07057	2.3
70.82490	1.4
79.05480	4.4
81.03404	0.8
81.07045	5.3
83.04955	0.5
83.08607	1.3
91.05459	4.0
93.07026	3.6
93.07895	0.4
94.29633	0.4
95.04982	1.1
95.08594	2.3
97.06525	1.7
97.10127	0.5
98.20904	0.5
105.07018	3.7
105.56484	0.5
107.04924	0.9
107.08589	1.7
109.06511	1.0
109.10148	1.4
111.08099	0.4
117.07001	1.0
119.08589	1.8
121.06465	0.6
121.10115	1.0
129.07011	0.7
131.08569	2.1
131.09457	0.4
133.10106	2.8
135.08115	0.7
135.11687	0.6
143.08572	0.5
145.10153	1.2
146.07156	0.4
147.11693	0.6
149.09599	0.9
159.11755	0.9
161.09575	0.5
161.13312	0.4
163.11221	0.4
163.19714	0.4
166.83708	0.4
173.13367	0.5
179.14272	0.5
182.85527	0.5
257.19006	0.6
273.18542	1.2
275.20020	3.6
291.19638	2.2
321.36029	0.4
347.22156	1.0
349.23792	0.9
377.17661	1.0
378.18542	0.6
389.17322	0.5
391.19290	0.7
392.20441	0.8
393.20633	1.3
403.19107	0.6
405.17224	1.3
405.21475	0.7
406.17575	0.9
406.22284	0.6
407.22583	3.4
418.17889	1.3
419.18066	3.2
420.19287	1.0
421.20288	3.4
422.20895	0.8
432.19748	0.5
433.20126	10.0
433.25323	0.7
434.16544	0.5
434.21280	4.5
435.17264	0.5
435.21988	6.1
436.23105	0.9
446.21130	0.4
447.21964	1.5
449.19733	4.8
461.19272	0.5
462.19977	0.4
463.21844	2.1
464.22131	1.5
465.22644	1.3
466.23761	0.6
478.20026	0.7
479.21078	1.5
491.20667	1.0
492.21298	4.0
493.21921	4.3
505.22244	1.8
507.23984	1.5
519.24219	0.9
520.24561	0.7
521.25580	6.5
522.26019	0.7
523.27319	0.8
537.21533	1.2
548.24884	0.5
549.24963	0.6
551.25983	1.3
565.24463	0.9
575.23059	0.6
579.25952	19.4
580.26361	1.9
581.27454	2.0
597.27155	0.9
603.40692	0.5
607.25574	2.8
611.29199	0.7
621.41364	1.7
639.28107	100.0
639.40570	10.5
640.28644	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	639.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01654	0.4
55.01867	4.0
55.05503	15.1
57.03430	9.8
57.95478	0.3
59.04983	1.1
61.02925	0.5
61.36092	0.4
65.03926	1.3
67.05495	21.8
68.05823	0.3
68.25407	0.3
69.03416	11.8
69.06707	0.6
69.07057	6.8
69.48710	3.5
69.51662	0.4
71.01340	1.2
71.04977	5.6
71.53835	0.3
73.02907	0.5
73.06537	0.5
77.03902	0.7
79.05482	22.1
81.03407	100.0
81.07043	27.1
81.07417	0.3
82.03765	0.9
83.04971	17.8
83.08607	22.5
85.02894	21.9
85.03425	0.8
85.06538	2.4
87.04487	0.5
91.05468	29.0
93.07029	16.8
93.07619	0.9
95.04957	28.2
95.08598	8.8
97.02873	13.8
97.06518	6.1
97.09535	0.4
97.10152	6.8
99.04444	3.7
99.08076	0.8
101.02368	0.4
101.06017	0.4
103.05435	1.1
104.08993	0.4
105.04523	0.5
105.07015	21.5
107.04938	8.2
107.08575	9.3
109.02866	17.3
109.06508	5.3
109.10136	4.0
111.04425	13.4
111.08066	10.6
113.05989	2.2
115.05431	1.8
117.07011	3.4
119.04932	1.5
119.08563	17.8
121.06504	4.2
121.10125	11.4
123.04408	2.2
123.08027	3.2
123.11707	2.7
125.05974	1.2
125.09615	3.9
127.03900	8.5
127.07510	0.4
128.06201	0.9
129.05553	1.9
129.06985	12.8
131.04939	1.2
131.08548	11.4
133.06485	4.0
133.10115	9.0
135.08018	1.9
135.11679	2.4
137.05998	1.2
137.09593	1.9
139.03880	0.5
141.06953	0.8
142.07777	2.9
143.08563	1.5
145.06508	2.3
145.10114	3.8
145.11159	0.6
147.04385	1.7
147.08023	4.1
147.11667	16.9
149.05952	1.6
149.09618	6.1
151.03951	0.6
151.11195	0.7
153.09070	0.8
153.12711	2.6
155.08551	1.1
157.06531	0.6
157.10103	13.8
159.08067	0.9
159.11687	0.6
161.05994	1.1
161.09602	0.9
163.03883	0.4
163.11156	4.7
165.05544	0.5
165.09055	0.8
165.12738	5.1
167.07053	0.6
167.08507	0.4
169.10094	0.8
171.08052	0.8
171.11642	0.8
173.04469	1.5
173.05940	0.7
173.09644	1.7
175.07556	0.6
175.11150	13.3
181.12209	3.7
183.06552	0.5
183.08005	0.5
183.11665	0.5
183.13759	0.4
185.09521	0.6
189.05420	1.0
189.11212	2.0
189.12784	0.9
191.10634	3.2
193.12218	42.6
194.12582	0.6
195.13789	0.5
199.11142	0.5
201.07565	0.5
205.12216	0.9
209.11687	0.8
211.13260	63.9
212.13655	1.2
213.12733	0.8
213.14722	0.5
215.14349	0.6
217.12241	0.4
223.13237	0.4
227.12701	6.2
229.12390	0.4
229.14203	1.8
231.13766	0.9
233.15221	0.5
235.13293	1.4
237.12694	0.5
241.12343	0.4
243.13724	0.6
249.14877	2.4
254.17581	0.4
255.13806	1.4
259.13431	0.7
265.14313	0.5
267.15891	21.1
268.16153	0.4
273.14911	2.5
277.14325	1.6
283.12787	0.7
283.15759	2.0
285.10098	0.7
285.16949	14.7
289.14233	0.8
291.15829	0.6
301.14160	6.0
309.16995	1.6
313.16321	0.8
319.15384	2.7
337.16467	3.8
349.21805	0.5
351.18027	1.0
355.17502	6.1
356.17447	0.4
357.23880	0.5
363.66531	0.4
367.22488	2.1
375.18069	2.3
385.23645	2.6
393.19119	3.7
403.24759	1.6
403.31876	0.4
411.20126	7.5
419.24039	0.4
429.21356	4.3
459.27365	11.2
460.27753	0.9
475.26471	0.6
477.28400	14.5
478.28488	0.6
493.27420	0.6
495.29422	17.6
496.29764	0.4
501.28433	0.6
510.21539	0.4
511.28610	1.5
519.29364	1.0
543.29388	0.8
555.29095	0.5
561.30243	1.5
567.29333	0.8
573.30682	1.3
585.30487	3.2
603.31659	5.2
621.32562	14.6
622.32867	0.7
639.33661	46.7
640.33875	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01868	4.4
55.05505	15.9
57.03183	0.6
57.03432	8.2
59.04996	0.6
65.03938	2.1
67.05496	23.5
69.03419	13.9
69.07058	4.8
69.48437	1.4
69.48843	4.5
69.59467	0.5
71.01346	0.8
71.04987	6.4
73.02901	0.9
79.05481	22.7
81.03409	100.0
81.07046	29.7
83.04479	1.0
83.04971	18.4
83.08127	1.2
83.08612	22.0
83.13499	0.6
85.02897	20.4
85.06539	1.7
87.04475	0.9
91.05471	28.9
93.07035	17.7
95.04958	30.7
95.08598	10.2
96.05286	0.6
97.02884	13.8
97.06531	6.0
97.10164	6.2
97.66486	0.6
99.04436	3.7
99.08076	1.5
101.02347	0.7
103.05464	1.1
105.04510	0.5
105.07018	23.9
107.04942	9.2
107.08578	9.2
109.02873	18.2
109.06491	5.1
109.10152	4.5
111.04433	13.9
111.08066	10.9
113.05999	2.0
115.05452	2.5
117.07005	3.6
119.04981	1.6
119.08568	18.8
121.06493	4.3
121.10127	9.7
123.04421	2.6
123.08041	3.1
123.11694	2.8
125.06014	0.8
125.09599	3.5
126.78512	0.6
127.03913	9.3
127.07576	0.9
128.06200	1.1
129.05455	1.8
129.06985	11.5
131.04921	1.1
131.08562	12.4
133.06464	4.1
133.10118	10.3
135.04436	0.9
135.08063	1.5
135.11668	3.2
137.05984	1.2
137.09593	2.3
139.03922	0.7
141.06917	0.6
142.07756	3.0
143.08521	1.2
145.06476	2.6
145.10109	3.9
147.04382	1.3
147.08023	4.0
147.11671	19.1
149.05980	1.4
149.09616	6.4
151.04024	0.7
151.11259	0.7
153.09143	0.7
153.12701	2.8
155.08525	1.0
157.06487	0.6
157.10117	14.2
159.08015	1.1
159.11758	1.3
161.05988	1.4
161.09537	0.7
163.11197	5.7
165.05461	1.0
165.12738	4.7
167.07056	0.8
171.11668	1.3
173.04521	1.4
173.05878	0.6
173.09604	1.4
175.11172	15.7
177.12718	0.6
181.12186	4.3
189.05508	0.9
189.11182	1.4
189.12694	1.0
191.10608	3.5
193.12218	45.0
195.13893	0.7
199.07516	0.8
199.11026	0.7
205.12201	0.9
209.11633	0.7
211.13264	66.1
212.13599	1.3
213.12866	0.7
227.12668	5.6
229.14388	2.5
231.13876	0.7
233.15405	0.8
235.13420	1.8
247.13217	0.7
249.14908	2.0
255.13809	1.0
259.13467	1.1
265.14447	0.9
267.12967	1.1
267.15875	23.0
273.14679	3.3
277.14322	1.4
283.15494	2.4
285.16934	15.6
289.14462	1.0
291.15994	1.3
301.14215	5.6
309.16864	1.4
313.16614	1.5
319.15314	3.5
337.16522	3.8
349.21616	1.0
351.17929	1.0
355.17548	7.1
367.22610	1.3
375.18112	2.5
385.23822	3.3
387.20648	0.8
393.19009	3.4
403.24902	1.9
411.20187	7.5
429.21115	4.3
459.27362	10.9
477.21893	0.4
477.28406	15.4
495.29514	18.5
495.36447	1.2
496.29990	1.1
501.28091	0.9
511.28949	1.8
519.29510	1.8
543.29486	1.2
561.30664	1.8
567.29559	1.3
573.30634	1.2
585.30316	3.3
603.31580	3.4
621.32605	16.6
622.33154	1.1
639.33698	56.2
640.34009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01871	0.6
55.05508	4.1
57.03433	3.4
61.02919	2.9
67.05495	12.1
69.03419	1.0
69.07058	3.0
69.42838	1.0
69.43257	2.1
70.06575	0.3
71.01347	0.3
71.04971	1.1
73.02907	0.9
73.06532	0.5
74.77654	0.3
76.91061	0.3
79.05486	18.8
81.03415	2.6
81.07047	10.5
83.04968	4.5
83.08606	1.9
85.02414	0.5
85.02895	5.2
85.06535	0.8
91.03939	3.2
91.05472	12.6
93.07035	18.4
94.07349	0.4
95.04960	6.4
95.08032	0.6
95.08597	7.9
97.02876	2.4
97.06522	1.8
97.10152	1.5
99.04421	0.5
103.05433	0.4
105.07021	10.4
107.04950	2.0
107.08587	6.0
109.02888	0.5
109.06499	2.4
109.10159	2.3
111.04387	0.4
111.08057	0.6
113.09734	0.3
117.07017	2.1
119.08572	7.7
121.06503	0.9
121.10135	1.4
123.08057	2.2
124.07405	0.3
125.05966	0.6
125.09625	0.4
127.03889	1.7
127.07578	0.5
128.06203	0.5
129.06999	4.4
131.08563	0.7
133.06477	0.3
133.10120	3.3
135.08006	0.6
135.11655	1.2
137.05975	0.7
137.09615	1.7
139.03882	0.5
139.07533	0.4
143.08571	2.7
145.04941	1.2
145.10106	3.9
147.04449	0.5
147.08023	0.9
147.11668	13.1
149.09644	0.4
156.09378	0.4
159.11676	0.6
161.09633	1.9
161.13237	4.4
163.06000	1.2
163.11163	0.7
165.09105	2.3
167.07011	0.6
169.10143	0.4
171.11659	8.2
177.05432	0.5
181.04927	1.2
181.12207	0.8
189.12730	3.8
207.13812	4.6
281.17450	100.0
282.17807	2.4
303.23047	0.4
321.24399	0.7
339.25351	1.4
387.07861	0.4
407.20419	0.3
425.21637	0.7
443.22806	3.3
469.22308	0.3
478.27985	0.3
559.15253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	2.9
69.40025	8.9
71.08638	2.0
79.05446	1.3
81.07042	3.4
93.07035	1.8
95.08578	2.8
105.16963	1.1
133.10120	1.4
179.76730	1.1
229.36227	1.2
232.51871	1.1
313.27390	2.6
314.27823	1.2
322.81201	1.1
401.17786	2.1
410.33298	1.1
415.18967	2.2
431.22665	2.1
445.20102	1.7
453.18976	1.8
459.21555	6.7
460.22433	2.2
465.14777	4.3
467.20026	1.7
479.16089	6.9
480.17111	2.9
481.17981	2.2
485.23187	1.5
487.25137	1.4
493.18188	1.9
494.18518	9.8
495.19452	6.4
507.19617	1.4
507.40186	2.9
508.40543	1.8
521.20728	1.6
539.18616	2.3
545.25409	5.2
549.20636	1.3
581.23126	28.8
582.23590	2.3
605.27527	2.6
636.73212	1.3
641.25134	100.0
642.25244	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	641.296
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05503	1.0
57.03413	0.3
67.05508	1.4
69.07050	0.7
69.37499	1.9
75.01503	0.2
79.05473	1.8
81.07045	2.1
81.61910	0.2
83.04990	0.3
83.08624	0.3
91.05443	1.4
93.07028	1.1
95.04957	0.5
95.08575	1.0
97.06521	0.6
97.10175	0.4
98.21050	0.8
105.07003	1.1
107.04956	0.3
107.08585	1.4
109.06495	0.7
109.10158	0.5
117.06996	0.5
118.97520	0.2
119.08560	0.6
121.10164	0.5
123.08057	0.2
123.11668	0.3
125.09613	0.4
129.06958	0.2
131.08560	0.6
133.10129	0.9
135.11664	0.4
145.10144	0.6
147.11717	0.5
149.09563	0.4
151.11143	0.2
155.08556	0.2
159.11684	0.5
161.13266	0.2
165.12802	0.2
171.11746	0.2
173.13271	0.3
179.14346	0.3
189.11307	0.2
190.30473	0.2
211.12180	0.3
227.12654	0.2
253.24660	0.2
275.20035	1.9
291.19446	0.2
293.21115	0.3
297.73230	0.2
349.23682	1.0
363.16196	0.2
377.17764	0.4
378.18411	0.2
379.19223	0.6
380.19891	0.2
390.18628	0.2
391.19434	0.9
392.19980	0.8
393.16547	0.3
393.20895	1.6
393.55682	0.2
394.21426	0.4
395.22192	0.5
405.16580	1.8
405.19846	0.4
405.21585	0.4
406.17886	0.8
406.22205	0.3
407.18494	0.5
407.22653	3.4
408.23340	0.3
409.24155	0.3
418.17892	0.5
419.18314	3.0
419.23602	0.3
420.19141	1.6
421.15363	0.2
421.20184	4.1
422.20859	0.5
423.22025	1.1
433.20221	4.1
433.25351	0.3
434.21158	3.8
434.26474	0.3
435.21793	7.2
436.22885	0.9
447.22247	1.3
448.22668	0.6
449.19501	7.4
450.20016	0.4
461.18777	0.3
462.20267	0.4
463.21042	2.8
464.21951	2.0
465.18982	0.6
466.19385	0.2
467.24591	0.5
468.25314	0.2
475.21298	0.3
476.22168	0.4
477.22797	0.9
479.20001	1.2
480.21655	0.5
481.21976	1.7
489.23087	0.4
491.24701	0.2
493.21750	2.0
494.23050	2.7
495.23532	3.2
507.24014	2.1
508.25034	0.2
509.25668	0.4
521.25610	9.9
522.26056	0.4
523.27209	0.8
526.25818	0.5
535.23572	0.5
539.22375	1.0
543.36774	0.7
549.24799	0.7
550.26050	0.4
551.26129	0.3
553.25214	0.8
563.26910	0.8
567.26202	0.5
580.26886	0.3
581.27588	19.1
582.28003	0.7
595.26392	0.4
609.26984	0.5
612.26147	0.2
613.30145	0.3
623.28290	0.2
623.43225	1.1
641.29590	100.0
642.29535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.296
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01856	0.4
55.05499	1.0
55.83662	0.2
57.03439	0.5
67.05498	2.7
69.07059	1.5
70.09351	1.5
79.05486	1.9
81.03411	0.7
81.07040	2.6
83.08633	0.5
85.06538	0.5
88.26356	0.2
89.76952	0.3
90.10838	0.2
91.05477	2.0
93.07024	2.2
94.24307	0.3
94.67016	0.2
95.04968	1.3
95.08598	1.3
97.06529	0.7
97.10195	0.3
98.20827	0.4
105.07034	1.7
107.04980	0.5
107.08595	1.2
109.06481	1.3
109.10146	0.5
111.08087	0.4
113.05995	1.3
117.07005	0.7
119.08590	1.1
120.08120	0.3
121.10114	0.6
125.09607	0.4
129.06998	0.5
131.08577	1.1
133.10129	1.2
135.08110	0.5
135.11668	0.4
143.08549	0.3
145.10132	0.8
147.08023	0.3
147.11682	0.6
149.09615	0.7
157.10181	0.6
159.11765	0.9
171.11740	0.3
179.14421	0.4
209.10721	0.3
225.10237	0.4
239.11891	0.3
241.13513	0.4
257.19037	0.5
265.13348	0.4
269.12857	0.4
275.20020	1.7
291.19553	0.6
297.12375	0.3
316.14432	0.6
325.15488	0.5
328.14514	0.5
349.23816	0.7
350.15298	0.3
354.16022	0.5
355.16870	0.3
377.17346	0.3
391.19202	0.8
404.16116	0.6
405.17114	1.1
405.21573	0.5
406.21814	0.7
407.22629	0.3
418.17944	0.9
419.18365	1.9
420.23456	0.7
421.24213	0.5
423.22061	0.5
430.21542	0.4
431.18777	0.4
432.19943	0.4
433.20129	2.9
434.21030	2.0
435.21777	0.9
445.20187	0.8
446.16867	0.6
447.17935	1.4
447.22275	1.4
448.22543	1.0
449.23355	1.1
451.21805	0.4
461.19455	10.0
462.20374	4.1
463.21121	1.0
465.19330	1.1
467.24670	2.0
475.20529	1.2
476.21893	2.7
477.22882	3.0
478.20831	0.4
479.19931	1.4
480.21677	1.2
489.23544	0.5
493.22034	1.4
494.22925	2.9
495.23685	2.0
503.24588	0.3
505.22589	0.6
506.23090	0.4
507.24014	0.9
520.24646	0.5
521.20905	1.3
531.23993	0.5
533.22137	0.5
535.26678	0.8
539.23181	0.4
543.36578	1.3
548.24133	2.8
549.25110	1.4
549.39105	0.4
553.28400	1.4
563.26599	4.7
564.26318	0.6
565.24341	0.5
576.23828	0.7
581.27545	11.2
582.28467	0.7
591.25757	0.4
593.23450	0.5
595.28760	0.3
607.28931	0.4
608.26044	1.9
609.26508	0.8
612.25885	0.5
623.28235	1.1
623.42627	2.0
624.26587	0.4
641.29633	100.0
642.29736	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	641.2963
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
50.25235	1.1
53.03922	1.7
55.01859	3.5
55.05512	7.2
57.03419	1.3
57.07045	1.0
60.86239	1.1
67.05492	13.8
69.07055	4.6
71.04992	1.7
71.62239	1.7
77.07480	1.1
79.05486	14.1
81.07048	18.8
83.04974	1.5
83.08607	3.8
83.74881	1.0
91.05453	10.5
93.07034	9.3
95.01356	1.1
95.04960	4.8
95.08590	8.0
97.06561	6.0
98.21120	1.4
105.07007	13.0
107.04945	3.8
107.08585	6.6
109.06492	5.8
109.10130	3.3
117.07017	4.0
119.08578	6.9
121.06449	1.8
121.10136	5.1
123.11660	1.4
125.09576	2.4
129.06975	2.2
131.08543	5.4
133.10120	5.6
135.08025	2.5
135.11618	1.4
145.10109	4.5
147.11678	3.9
149.09576	4.0
151.11165	1.3
157.10107	2.0
159.11679	4.8
161.13210	1.5
163.11153	2.7
171.11723	2.6
173.13251	2.9
179.14340	2.0
183.11664	1.5
197.13251	1.3
211.12291	1.5
239.15504	2.1
257.18997	2.6
275.20029	17.4
293.21060	1.5
318.15823	1.3
332.17435	1.6
349.23682	7.3
359.20203	1.4
373.18735	1.3
374.18027	1.6
384.17130	2.3
390.17847	1.4
392.19846	1.9
393.20731	1.6
403.19302	1.7
406.20859	2.3
407.22052	3.1
415.19070	1.3
416.20087	1.9
417.20798	3.3
419.22363	2.5
420.22702	1.5
421.23544	3.7
422.24173	5.1
429.20837	2.0
430.21320	1.9
431.22296	3.7
433.24017	3.9
434.24362	3.9
444.19177	4.0
445.19208	2.1
445.24481	2.3
449.23410	1.5
459.21622	3.5
462.20563	3.3
463.21204	3.6
473.23148	3.7
474.23990	1.6
475.21100	4.7
476.22034	1.6
477.22739	12.8
487.24869	5.3
491.24268	3.8
494.26465	1.7
505.26163	2.0
506.26956	1.7
515.24677	2.6
535.23840	1.8
545.25262	7.1
547.26996	11.1
549.25031	10.8
549.39789	1.5
550.25562	13.7
563.26514	3.7
564.26660	2.8
565.28015	2.4
577.27484	1.4
579.29333	5.4
591.25787	11.7
592.78925	1.4
605.27563	17.5
609.26874	10.4
623.28546	100.0
623.42786	6.6
641.29236	8.6
641.40283	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	641.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.0
55.01868	12.8
55.05505	42.2
55.38311	1.0
57.03438	7.2
57.07040	3.1
59.04960	2.9
65.03900	4.0
67.05498	64.6
68.28719	1.0
69.03420	7.2
69.07062	31.3
69.58119	5.2
69.58526	2.8
71.04943	4.8
71.08614	2.0
77.03873	1.4
79.05484	54.5
81.03419	7.0
81.07050	75.8
83.04971	7.7
83.08612	20.5
85.06494	4.6
87.48325	1.1
89.06010	1.7
91.05470	52.0
91.74852	1.0
93.07034	50.6
95.01322	2.4
95.04967	14.4
95.08593	41.7
97.02837	4.4
97.06522	18.1
97.10153	23.8
99.08029	2.3
103.05417	2.0
104.06251	1.1
105.07018	60.4
107.04950	10.5
107.08583	35.3
109.05891	0.9
109.06505	11.9
109.10142	23.6
110.10373	1.2
111.04401	1.2
111.08073	6.5
113.09595	1.4
115.05415	2.3
117.07008	23.7
119.04893	1.2
119.08564	44.0
121.06425	3.5
121.10134	18.4
123.08033	7.0
123.11697	6.8
125.09606	18.8
128.06125	3.7
129.06992	15.6
130.07774	2.3
131.08554	30.8
131.67923	1.0
133.06403	3.2
133.10112	36.6
135.08037	7.4
135.10692	1.0
135.11682	13.9
137.05812	1.6
137.09537	4.1
137.13069	1.3
139.11119	1.9
141.06973	5.7
141.07802	1.0
142.07796	1.9
143.08545	16.1
144.09222	1.0
145.06430	1.6
145.09042	1.9
145.10097	26.6
147.08029	5.2
147.11673	24.4
149.09601	7.7
149.13254	7.4
151.11127	3.3
153.09023	2.2
154.07735	2.5
155.08537	10.1
156.09311	2.2
157.08919	1.3
157.10107	14.8
158.15140	1.1
159.07964	3.0
159.11682	19.1
161.09525	4.1
161.13216	13.7
163.11171	6.5
163.14743	2.6
165.06950	2.5
165.12662	2.0
167.08453	3.6
168.09300	1.8
169.10114	11.8
171.08000	1.5
171.10292	1.7
171.11662	15.7
173.09547	2.7
173.11852	1.5
173.13223	12.1
175.11128	2.6
175.14812	6.7
177.12624	3.5
179.08479	1.9
179.14211	4.1
181.10005	5.6
181.12053	1.2
183.11638	9.5
184.12358	1.2
185.13252	10.4
187.11043	2.8
187.13185	1.6
187.14706	4.5
189.11195	10.9
189.12689	2.2
191.14151	2.1
193.10019	3.1
195.11588	4.7
195.48846	1.0
197.13252	9.1
199.14813	6.0
201.16277	2.6
205.12019	1.2
207.11592	2.7
209.13159	5.3
211.14650	3.6
213.12529	1.5
213.16235	3.6
215.14316	1.2
215.17863	1.3
221.13156	3.0
223.13040	7.7
223.14807	2.8
225.16188	3.5
227.03804	1.4
227.12726	15.4
227.17793	3.5
229.19429	1.5
231.17355	1.8
231.20937	2.7
235.14671	2.5
237.16269	2.8
239.17900	6.1
241.19511	14.0
245.13657	1.3
247.14644	1.2
247.20430	2.5
251.17792	1.7
255.17206	1.4
257.19003	6.6
259.17975	1.6
259.20538	25.6
265.19250	2.0
271.20279	1.5
273.18588	6.7
275.20035	35.2
276.20233	1.4
277.21759	1.7
283.20370	1.1
285.21902	3.7
287.35306	1.2
289.17804	2.9
291.19501	41.5
292.19711	2.1
293.20950	3.1
299.23627	1.4
309.22009	1.4
315.22937	3.7
327.22937	1.3
330.90564	1.1
331.18680	1.2
331.22412	2.3
333.24210	20.2
335.25589	3.4
347.22089	1.4
349.23706	12.7
363.26221	3.3
365.23169	15.1
379.30029	5.0
381.27582	3.9
397.30786	3.4
406.21484	1.4
416.19580	1.8
417.20370	2.5
418.21439	1.5
419.29016	1.4
430.21500	1.4
433.23724	2.2
437.30151	1.7
455.31235	1.5
459.21274	1.5
460.22284	2.0
462.19955	1.9
463.20694	1.6
473.22809	2.6
475.20920	4.3
476.21667	1.5
477.22836	7.4
487.24475	4.4
491.24240	1.2
508.06943	1.1
511.21027	1.3
511.33572	3.8
513.36011	3.3
519.26807	1.9
525.35211	4.2
527.36145	1.3
529.35126	7.0
531.38531	5.5
543.36304	3.7
545.24933	3.4
546.25580	1.4
547.26953	9.0
549.25397	5.6
549.38745	4.2
550.25507	8.2
551.25256	1.8
554.35742	2.1
564.27014	1.6
567.39575	2.7
579.29047	3.8
591.25739	6.9
595.43353	1.4
605.27570	10.6
605.41852	14.0
606.27472	1.7
609.44128	2.0
623.27856	48.7
623.42206	72.9
624.28790	8.0
624.43176	2.4
641.39813	100.0
642.39935	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	641.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.9
53.03933	6.9
55.01864	16.2
55.05257	2.5
55.05503	35.1
57.03447	9.3
57.07065	3.5
58.66247	1.5
60.56191	1.3
60.63220	1.4
65.03917	5.8
67.05495	77.3
69.03407	4.9
69.06716	3.2
69.07061	40.8
69.30907	10.9
69.31335	7.3
70.08902	1.4
71.04971	4.2
71.08603	1.7
79.05484	66.2
81.03415	7.7
81.07045	100.0
83.04967	10.0
83.08601	17.7
85.06520	6.2
91.05470	68.8
93.07029	63.7
95.01302	2.0
95.04952	20.6
95.08595	55.1
97.02872	2.0
97.06518	25.2
97.10152	9.0
98.20819	5.4
98.21475	3.6
99.08054	3.5
105.07014	72.9
106.07356	1.8
107.04944	14.6
107.08580	50.3
109.06500	17.4
109.10139	26.3
111.04412	2.7
111.08068	7.9
115.05457	3.3
116.06223	1.9
117.07001	26.4
119.08569	54.1
121.06523	7.6
121.10127	23.6
123.08060	9.2
123.09974	1.5
123.11691	9.5
125.09604	8.5
127.07600	2.0
128.06160	3.4
129.06984	13.1
130.07721	2.0
131.04897	2.2
131.08540	32.5
133.06465	3.8
133.10110	45.1
135.08034	9.8
135.11659	15.7
137.09566	7.5
139.11166	1.7
141.06909	5.2
142.07716	2.3
143.08574	14.7
145.06483	2.8
145.10095	35.0
147.08041	4.6
147.11661	25.9
149.09593	17.2
149.13249	7.8
151.11143	5.9
155.08505	7.4
156.09361	2.0
157.10106	12.1
159.08043	3.2
159.11687	24.3
161.09636	5.2
161.13257	9.7
163.11153	13.9
163.14769	3.1
165.09094	2.0
165.12729	5.3
167.08548	3.0
169.10095	8.1
171.11647	12.8
173.09656	3.2
173.11871	2.5
173.13242	10.4
175.11180	5.1
175.14825	3.2
177.12756	5.7
179.14275	4.3
181.10109	4.3
183.11642	8.8
185.13223	7.9
187.11130	5.0
187.14778	2.6
189.11223	2.5
189.12724	3.5
189.16342	1.8
193.12378	1.6
195.11708	3.0
195.13699	2.1
197.13260	6.3
199.14812	4.2
201.12753	3.5
201.16316	3.2
205.15852	2.1
207.11720	2.0
209.13264	3.6
211.14711	4.4
215.17982	2.2
219.17348	2.1
221.13174	2.6
221.15161	2.1
227.12656	3.5
229.19458	6.8
239.17882	8.6
241.19476	2.1
247.20532	5.6
257.18985	23.1
259.20502	4.3
267.15833	5.2
269.17529	3.7
273.18396	6.6
275.20023	93.9
277.21591	2.0
289.17871	2.0
291.19284	7.3
293.20923	8.0
313.21524	2.8
331.22543	6.3
349.23691	40.3
365.23758	2.4
367.24838	3.5
451.32260	2.2
495.23804	3.1
504.21036	5.4
525.35815	2.9
529.35315	3.9
531.38226	2.2
543.36694	24.1
549.39050	3.4
553.27289	1.7
563.26263	3.8
567.40503	2.1
581.27356	10.5
583.39581	3.1
595.42963	4.0
605.42377	3.9
613.29114	9.0
623.27594	2.9
623.42975	39.7
641.28693	29.6
641.43750	59.5
642.28613	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	641.44
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08247	1.0
52.44873	1.2
53.03919	4.1
54.58323	1.3
55.01865	39.5
55.05507	13.8
57.03416	2.9
57.07048	1.4
67.05496	28.7
69.03407	1.8
69.07061	28.8
69.95302	1.8
69.95720	5.3
71.04965	1.5
73.10165	1.0
79.05058	1.5
79.05486	26.2
80.11344	1.0
81.03412	6.3
81.07050	45.1
82.07380	1.1
83.04974	6.4
83.08614	6.9
86.86503	1.0
89.06013	3.3
91.05473	41.1
93.07039	23.9
95.01315	7.3
95.04963	11.6
95.08037	1.8
95.08597	23.9
97.06522	73.6
97.10142	3.2
98.20932	2.3
99.08064	1.4
103.05476	1.1
105.07021	49.9
107.04939	16.8
107.08580	13.5
109.06522	5.3
109.10149	9.6
111.08054	2.5
115.05396	1.1
117.06992	11.9
119.08568	26.1
121.06514	3.2
121.10110	8.5
123.04402	2.3
123.08018	4.6
123.11671	1.7
124.18620	1.0
125.09610	1.2
129.06973	3.5
130.07785	1.0
131.08559	16.7
133.08562	1.8
133.10110	29.9
135.08012	4.0
135.11696	6.6
137.09563	2.4
139.07520	4.2
141.06941	1.6
143.08531	3.3
145.10121	12.8
147.08017	1.5
147.11684	13.1
149.09612	11.2
149.13240	3.6
151.11191	3.4
155.08490	3.0
157.10086	3.5
159.11699	11.1
161.09627	1.3
161.13252	4.9
163.11154	7.9
165.09149	3.2
169.10101	2.2
171.11668	3.3
173.13223	4.2
177.12679	2.2
179.14278	15.0
181.12358	1.0
183.11671	2.9
187.11201	3.8
187.14879	1.5
197.13203	1.3
202.41483	1.1
203.36578	1.1
205.54193	1.0
229.19455	2.7
239.17926	1.6
247.20592	3.2
257.18933	5.1
275.20035	100.0
276.20389	1.3
279.16003	1.5
289.17953	2.3
293.21075	7.3
331.22614	1.9
349.23730	36.9
529.38464	1.2
609.26312	1.7
623.43042	40.4
624.43292	1.6
641.28931	2.0
641.42780	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	641.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01862	12.5
55.05259	3.5
55.05503	47.5
55.93209	2.4
57.03433	15.3
57.07057	7.2
65.03919	3.3
67.05496	87.7
68.99783	4.4
69.03432	4.0
69.07060	38.4
71.04993	7.7
71.08616	3.9
79.05479	67.4
81.03393	5.7
81.07050	100.0
83.04969	12.7
83.08606	22.3
85.06535	7.8
86.09697	6.2
91.05474	78.2
93.07030	72.4
95.04971	21.6
95.08595	58.6
96.02991	3.0
97.06516	16.7
97.10161	10.2
98.07493	2.6
98.21507	7.4
99.08117	4.0
100.11247	17.9
101.11589	9.0
103.05441	2.6
105.04438	3.1
105.07016	76.6
107.04951	14.1
107.08583	53.2
109.06503	18.8
109.10141	34.4
111.08078	11.0
113.05964	3.4
115.05443	4.0
117.06992	33.4
119.08563	51.4
121.06516	12.0
121.10123	26.2
123.08057	9.4
123.11700	10.3
125.05907	3.7
125.09608	7.1
127.86973	2.5
128.06242	6.7
129.07011	25.3
130.07770	4.2
131.08553	45.7
133.06473	4.5
133.10110	55.4
135.08041	11.1
135.11667	17.0
137.09586	5.8
139.07516	8.1
139.11186	3.1
141.07002	9.7
142.07774	4.2
143.08536	30.2
145.10118	38.2
147.08011	7.8
147.11661	28.7
149.09595	8.2
149.13237	6.1
151.11171	12.0
155.08582	11.3
156.09325	3.1
157.06493	3.3
157.10114	27.7
159.08093	5.2
159.11691	28.4
161.09650	6.2
161.13271	19.5
163.11169	9.5
163.14796	3.8
167.08534	3.4
169.10098	18.2
169.12297	3.4
171.08110	5.0
171.11693	27.3
173.09625	7.7
173.13257	13.4
175.11220	7.9
175.14850	9.0
179.08611	3.0
179.14236	3.1
181.10086	9.0
183.11627	15.5
185.09625	3.4
185.13264	20.2
187.14758	8.3
195.11746	9.1
195.13715	4.5
197.13281	8.1
199.11197	4.3
199.14786	11.5
201.12729	4.1
201.16356	4.5
209.13312	8.4
211.11093	4.2
211.14813	8.9
213.12854	4.3
213.16403	8.8
215.17938	5.1
219.11722	4.7
219.70277	2.7
223.14822	8.3
225.16527	4.9
227.17897	4.3
233.15369	5.3
237.16425	4.3
239.17998	6.1
241.19464	16.8
245.18985	6.3
253.14232	21.3
255.17494	3.5
257.19003	5.9
259.20551	27.3
261.18600	3.6
271.20667	3.0
273.18497	13.8
274.35422	2.9
275.20114	12.4
277.21844	3.3
287.19958	5.0
289.17978	7.7
291.19598	16.8
293.21320	3.9
297.22113	3.9
315.23178	4.7
333.24411	19.1
339.77618	2.9
347.22318	3.6
353.28571	3.9
355.26349	3.0
363.21829	4.0
365.23105	20.3
391.30130	3.9
392.65390	2.9
395.29416	2.9
409.30997	11.3
427.31918	7.2
437.30237	3.8
455.31738	3.9
479.32019	3.6
483.34750	16.7
487.34079	30.9
501.35712	45.6
503.37839	6.3
511.33868	11.4
513.36597	8.8
525.35443	8.4
529.35223	11.5
531.38416	14.0
543.36591	10.3
549.39441	16.3
567.39972	10.2
595.42950	8.4
605.41986	19.6
613.44373	12.9
623.42987	84.4
624.42987	5.4
641.44269	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	642.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	1.9
55.05507	8.0
57.03422	2.2
57.07059	0.7
57.82320	0.6
61.02915	2.0
67.05500	18.3
69.03423	0.8
69.07063	7.2
71.04994	1.5
75.97533	0.5
79.05487	16.6
81.03409	1.3
81.07050	16.2
82.07384	0.8
83.04995	1.6
83.08612	4.0
85.02897	2.5
85.06558	1.4
88.26351	0.5
91.03944	1.1
91.05476	18.0
93.07042	15.0
93.99871	0.7
94.07420	0.7
95.04967	3.7
95.08603	12.6
97.02908	0.9
97.06522	2.6
97.10160	1.9
99.08129	0.7
105.07022	19.5
107.04933	1.9
107.08588	9.2
109.06495	3.2
109.10155	5.6
111.08067	1.0
115.05471	1.0
117.06983	8.2
119.04900	0.8
119.07816	0.5
119.08575	14.4
119.09427	1.2
121.06506	2.2
121.10147	5.5
123.08060	1.5
123.11718	1.5
125.09612	1.0
128.06197	1.3
129.06978	5.7
131.07567	0.8
131.08557	15.8
131.09508	1.1
133.06465	1.1
133.10121	9.7
135.08055	1.8
135.11647	2.8
137.09602	1.3
141.06996	1.8
143.08559	6.4
144.09113	0.6
145.06473	1.5
145.10112	9.5
146.10452	0.9
147.08018	1.9
147.11700	3.4
149.09608	2.5
149.13322	1.2
151.11205	0.9
155.08514	4.0
157.10103	5.1
159.08116	0.9
159.11696	4.0
161.09624	1.3
161.13266	1.1
163.11171	1.3
167.08568	1.3
169.10042	3.3
171.08223	0.7
171.11682	3.3
173.09740	0.9
173.13217	2.8
177.12753	1.0
181.10147	2.2
183.11736	1.8
185.09662	0.9
185.11818	0.6
185.13239	2.9
187.14886	1.3
195.11694	2.0
197.13257	1.9
199.14799	2.2
201.12726	1.0
205.12245	0.6
209.13310	1.8
211.14816	1.3
213.12827	0.7
213.16367	0.9
215.14412	1.0
221.13235	0.7
223.14931	1.1
225.16483	0.8
227.12617	0.6
227.14624	0.6
233.15398	0.8
247.16917	2.0
251.17908	0.6
261.18506	1.1
273.18631	0.7
274.26547	0.6
275.19980	2.7
276.20407	1.8
312.46136	0.6
325.25220	0.8
333.24155	1.0
335.23523	1.3
343.26810	1.1
349.23779	1.6
350.24188	1.2
353.24661	5.4
367.24731	0.7
371.25726	5.7
389.26843	5.6
427.28159	0.9
445.29483	100.0
446.29883	3.6
463.30527	31.8
464.30774	1.0
544.36877	1.1
582.27814	0.6
624.44019	2.6
642.04712	0.7
642.29749	2.4
642.43988	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01858	1.5
55.05504	6.8
57.03425	1.8
61.02911	1.9
65.03931	0.8
66.31248	0.4
67.05499	16.3
67.19747	0.4
69.03423	0.7
69.06701	0.6
69.07058	4.8
71.04968	1.4
71.64019	0.8
73.02900	0.8
75.59821	0.4
79.05049	0.8
79.05489	11.1
79.05951	0.6
81.03419	0.9
81.07047	14.9
83.04964	1.2
83.08620	3.6
85.02882	2.4
85.06526	0.9
88.78506	0.4
91.03934	1.1
91.05473	15.3
93.07030	14.0
95.04978	2.4
95.08594	10.1
97.02892	1.3
97.05978	0.4
97.06519	2.6
97.10152	1.1
99.08042	0.6
99.64870	0.4
103.05418	0.9
105.07020	17.7
106.07324	0.7
107.04926	2.2
107.08575	7.3
109.06517	2.4
109.10134	4.6
111.08070	0.8
115.05457	1.1
116.06184	0.6
117.07005	7.6
119.08571	11.3
121.06485	1.9
121.10116	5.7
123.08036	1.2
123.11697	0.6
125.09599	0.9
128.06244	0.7
129.06985	5.9
131.08553	13.7
133.06514	1.3
133.10110	7.3
135.08015	1.2
135.11661	2.1
137.09657	1.0
141.06984	1.8
141.54994	0.4
143.08540	6.2
145.06456	0.7
145.10101	9.4
146.10492	0.6
147.04430	0.9
147.08023	1.4
147.11679	3.1
148.38127	0.5
149.09631	1.9
149.13252	0.7
151.11197	1.0
155.08540	3.2
157.10115	4.3
159.08035	0.9
159.11678	4.3
161.09605	1.1
161.13263	1.2
163.11215	1.1
167.08606	0.9
169.10057	3.1
171.08061	0.7
171.11636	3.7
173.09583	0.6
173.11928	0.5
173.13197	2.0
175.11177	0.6
177.12723	0.5
181.10094	1.8
182.10999	0.6
183.11690	2.6
185.13200	2.5
187.11162	1.0
187.14796	1.2
189.12706	0.6
195.11719	2.6
197.13295	1.7
199.11229	0.5
199.14812	1.3
201.12624	0.7
201.16415	1.1
209.13295	1.1
211.14778	1.3
213.12749	0.9
213.16359	0.7
215.14301	0.5
217.15791	0.5
223.14783	1.1
225.16365	0.6
233.15329	0.8
237.16397	0.6
241.15817	0.7
247.16896	1.3
255.17319	0.7
257.18872	0.5
259.16974	0.6
259.20703	0.5
261.18430	1.0
273.18530	0.6
275.20044	2.4
276.20398	0.8
321.09738	0.4
325.25177	1.3
335.23566	1.3
343.26434	1.3
349.23645	1.2
350.24005	0.7
353.24664	4.7
371.25690	4.2
389.26953	5.8
427.28653	0.6
445.29449	100.0
446.29733	3.6
448.82779	0.4
463.30499	32.8
464.30997	1.3
527.37646	0.5
544.36951	0.7
582.28198	0.8
624.43445	1.0
642.30316	2.4
642.44037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1495
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
53.03926	0.3
55.01853	0.4
56.26065	0.1
57.03417	0.4
59.04975	0.1
61.02906	0.8
67.85818	0.1
68.99781	0.7
69.03069	0.2
69.03421	2.3
69.44924	0.3
69.45337	1.0
70.06568	0.1
71.04974	0.2
73.02885	0.5
73.03272	0.1
76.70834	0.1
81.03403	1.2
84.08136	0.3
85.02896	6.7
86.09699	0.2
87.04442	0.3
91.03931	0.3
91.34071	0.1
97.02879	2.4
98.21159	0.5
99.04436	0.4
103.08694	0.1
105.07010	0.1
107.08525	0.2
109.02859	1.4
111.00785	2.0
111.04387	0.2
123.04447	0.2
127.03904	1.8
133.10118	0.1
137.02322	1.4
139.03860	0.2
145.04947	1.5
149.02359	0.2
153.01811	7.5
153.05396	0.2
161.06039	0.2
163.05914	0.2
165.01822	3.3
166.02623	0.4
171.04266	0.1
175.03745	0.1
177.05493	0.4
179.03348	1.1
183.02849	1.0
189.05533	0.6
193.01323	0.2
195.02917	0.6
199.03923	0.2
203.03386	0.3
207.02946	0.4
217.04953	2.8
219.02855	0.1
221.04488	0.4
227.03351	0.5
229.05038	0.2
231.02861	0.2
232.03798	0.2
235.02446	0.3
235.05959	0.3
244.03548	0.2
245.04425	4.4
255.02907	0.6
257.04449	0.2
263.05463	0.6
273.03897	4.8
283.02359	0.1
290.04117	1.2
291.04871	0.3
301.03384	1.1
319.04446	100.0
320.04718	0.6
335.04068	0.4
361.05859	0.2
403.04498	0.2
431.03040	0.2
481.09732	16.1
482.09949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1498
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
51.02377	0.1
53.03923	0.6
55.01870	0.6
55.05486	0.1
57.03431	1.5
59.04990	0.2
61.02918	2.3
68.99786	0.6
69.03420	5.8
69.03801	0.3
70.06579	0.2
71.01335	0.1
71.04984	0.7
71.60615	0.2
72.08127	0.2
73.02908	0.9
79.05494	0.3
81.03403	2.9
81.07043	0.3
83.01319	0.2
85.02893	16.3
85.38128	0.1
87.04484	0.8
91.03944	1.0
91.05470	0.4
93.07047	0.3
95.04927	0.2
95.08591	0.3
97.02877	5.4
99.04445	1.1
100.54114	0.1
101.02378	0.3
103.03913	0.3
105.07012	1.0
107.04976	0.2
107.08561	0.4
109.02869	2.3
109.06522	0.2
109.10159	0.1
111.00789	1.6
111.04399	0.3
115.03902	0.2
115.05451	0.1
117.06969	0.2
119.04912	0.3
119.08557	1.2
121.06505	0.3
121.10122	0.6
123.04408	2.2
125.02359	0.3
127.03901	3.7
131.08543	0.5
132.88527	0.1
133.02831	0.2
133.10097	1.1
135.04384	0.3
135.08049	0.1
135.11684	1.1
137.02336	1.3
139.03873	0.6
143.08606	0.2
145.04936	3.0
145.10086	0.4
147.04372	1.0
147.11661	1.6
149.05971	0.2
151.03885	1.3
153.01813	7.2
153.05423	0.4
158.10858	0.2
161.05981	0.5
161.13222	0.4
163.03894	0.6
165.01807	3.0
165.04086	0.3
165.05449	3.4
166.02574	0.3
167.06969	0.2
170.40800	0.1
171.04436	0.2
173.13264	1.2
175.03935	0.3
175.07562	0.2
175.14769	1.3
177.05482	1.1
179.03381	1.0
179.06975	0.1
183.02885	0.6
189.05440	0.9
189.08958	0.2
189.12732	0.4
191.07039	0.5
191.14314	0.4
193.01430	0.3
195.02882	0.5
197.05927	0.2
199.03905	0.3
203.03352	0.4
205.04921	0.2
205.08350	0.1
207.02924	0.2
207.06525	0.3
215.14319	0.3
217.04929	2.2
219.02858	0.2
221.04558	0.2
227.03348	0.3
227.10605	0.2
229.04971	0.3
229.08426	0.2
231.02940	0.2
235.02333	0.2
235.05997	0.2
241.08539	0.2
243.10245	0.2
244.03531	0.2
245.04428	3.8
246.05211	0.2
255.02835	0.6
255.10109	0.3
263.05502	0.7
267.13785	0.2
272.03128	0.2
273.03879	3.6
283.02365	0.3
285.14774	1.1
290.04141	0.8
291.05060	0.2
301.03287	0.9
302.04245	0.2
303.08493	0.9
311.16351	1.5
313.17966	0.4
317.10211	0.6
318.03528	0.4
318.56699	0.2
319.04437	100.0
320.04745	1.2
327.08463	0.7
329.10785	0.2
329.17490	2.2
341.10208	0.2
343.04517	0.3
361.05273	0.4
403.04169	0.7
419.18607	0.2
431.03687	0.4
437.19592	1.2
463.21112	1.5
468.54089	0.1
481.09750	10.9
481.20975	1.5
491.22635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05478	0.3
58.51351	0.2
65.25005	0.3
67.05487	1.2
69.07039	0.3
69.29311	0.8
69.29737	2.0
79.05447	0.7
81.03383	0.3
81.07011	1.0
83.08579	0.4
91.05447	0.7
92.05776	0.2
93.07000	0.4
95.08585	0.4
95.43992	0.2
95.75290	0.2
97.06509	0.2
97.71590	0.2
98.21097	1.1
105.06982	0.6
106.05385	0.2
107.08528	0.3
109.10130	0.3
119.08543	0.5
121.10130	0.3
123.07946	0.3
133.10088	0.3
145.10056	0.3
147.11676	0.3
159.11638	0.3
252.38712	0.3
333.60519	0.3
396.12344	1.0
397.12805	1.6
398.13800	0.9
399.14462	0.5
408.11682	0.3
409.13156	0.6
410.13577	2.2
411.14441	5.8
412.15256	3.9
413.16052	2.3
414.16818	0.3
423.14746	1.9
424.11154	1.1
424.16199	2.3
425.16235	12.1
426.16876	9.6
427.17612	2.4
428.18579	1.8
437.16171	0.9
438.13083	2.7
438.17444	1.5
439.13547	15.3
440.13770	1.1
440.19156	4.3
441.19226	36.6
442.19495	2.5
444.18027	0.3
450.13477	0.3
451.13406	0.6
451.18637	0.4
452.14243	3.3
453.15216	17.5
454.15836	4.9
455.21265	0.4
457.15082	0.8
458.20279	0.3
459.20175	0.5
463.14197	1.0
465.15866	0.7
466.17191	1.1
467.17090	26.8
468.17822	15.9
469.18750	14.0
470.19513	1.1
471.16412	1.4
472.17395	0.6
479.16928	0.4
480.17355	1.0
481.14581	13.2
482.15417	4.1
483.15637	0.4
485.18298	1.6
486.18738	0.7
494.16751	0.4
495.16714	2.4
495.20554	1.4
496.17117	12.6
497.18033	2.5
498.18701	0.8
499.19638	1.2
508.19281	0.9
509.18127	2.6
510.19556	0.3
512.20929	1.5
513.21265	0.7
514.22485	3.0
522.17383	0.7
523.19592	1.6
524.20190	0.6
525.17578	0.5
526.18512	0.3
527.23285	3.1
528.23590	0.7
536.17853	0.3
537.18903	0.7
539.19098	0.6
540.20172	0.7
541.20728	0.4
542.21759	1.1
545.24060	0.4
551.19366	0.3
555.22333	33.4
556.22888	2.3
557.24518	0.3
568.19342	0.7
583.21802	100.0
584.22058	8.8
586.20905	0.6
587.24927	1.9
611.21411	1.7
612.22156	0.3
614.23700	1.0
615.24408	13.0
616.24695	0.9
625.44299	0.4
643.23859	80.7
644.24109	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	643.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
55.01834	0.5
55.05468	0.7
57.03408	0.2
67.05505	1.8
69.07013	0.6
69.44844	0.2
69.46116	2.1
71.04959	0.3
79.05479	1.7
81.03403	0.4
81.07048	2.1
83.04942	0.3
83.08562	0.6
91.05473	1.4
93.07037	1.8
93.16380	0.2
95.04922	0.4
95.08598	1.3
97.06497	0.4
97.10125	0.4
105.07023	1.3
107.04916	0.2
107.08580	1.1
109.06490	0.4
109.10101	0.6
117.07036	0.2
119.08504	1.0
119.62790	0.2
121.10158	1.1
129.06970	0.4
129.66548	0.2
131.08490	0.7
133.10072	0.8
135.11676	0.5
145.10031	0.8
147.07977	0.3
147.11641	0.6
149.09573	0.2
157.10022	0.3
159.11652	0.5
161.13179	0.4
187.14777	0.2
227.12796	0.2
237.89995	0.3
245.38239	0.2
273.18390	0.6
275.19907	0.8
291.19479	0.7
335.25613	0.5
365.22861	0.3
396.12082	0.7
397.12964	1.1
398.13852	0.3
409.13031	0.4
410.13644	1.8
411.14465	3.5
412.15323	2.0
413.15903	1.2
423.14621	0.9
424.10870	0.4
424.16327	1.2
425.16214	7.1
426.16882	5.4
427.17462	0.7
428.18536	0.6
435.14603	0.3
437.11575	0.3
437.16702	0.4
438.12085	1.6
438.17480	0.8
439.13422	6.1
440.13480	0.4
440.19171	2.5
441.19278	22.5
442.13916	0.2
442.19370	1.2
451.18307	0.4
452.14066	1.9
453.15219	7.3
454.15799	2.6
456.18130	0.3
457.15051	0.6
458.15866	0.5
459.20227	0.3
463.13956	0.6
465.15543	0.4
466.12195	0.4
467.17142	17.5
468.17807	8.4
469.18799	10.0
470.18570	0.3
471.16675	0.6
479.16888	0.3
480.17105	0.8
481.14868	11.2
482.15411	2.9
485.18250	1.0
494.18231	0.4
495.16797	1.7
496.17273	8.4
497.17822	2.3
498.18918	0.3
499.16028	0.7
508.19632	0.9
509.18298	1.9
512.20801	0.7
514.17566	0.2
514.22656	0.6
522.17883	0.8
523.19781	1.1
524.20801	0.4
527.23395	1.7
540.20007	0.7
541.20447	0.3
542.22021	1.3
545.23767	0.5
545.38129	0.7
551.18695	0.3
555.22406	19.6
556.22913	1.1
568.18927	0.5
573.23456	0.3
583.21857	100.0
584.22119	5.1
587.24762	0.8
593.26862	0.4
611.20630	1.0
615.24487	7.5
625.29291	1.0
625.44122	0.8
643.23865	25.0
643.41852	1.1
644.23932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.4
55.01824	0.5
55.05495	2.0
57.03399	0.8
58.99848	0.5
67.05497	5.1
69.03399	0.7
69.07066	1.8
70.38194	1.2
71.04945	0.5
77.00904	6.3
78.42855	0.3
78.78761	0.3
79.05069	0.3
79.05480	3.9
81.03378	0.3
81.07047	6.5
83.04933	0.8
83.08572	1.3
85.06524	0.4
91.05473	4.2
93.06560	0.3
93.07031	3.7
95.01377	0.4
95.01938	5.0
95.04915	0.6
95.08591	3.8
97.06497	0.6
97.10162	0.5
98.21454	0.3
98.98445	0.3
99.08042	0.3
100.02420	0.9
103.22134	0.3
105.06378	0.4
105.07020	4.9
105.25276	0.3
107.04926	0.4
107.08566	2.8
109.06510	2.9
109.10133	1.9
117.06985	1.2
117.09892	0.3
118.01146	0.3
118.03493	0.5
119.01894	0.3
119.08569	4.0
121.06457	0.4
121.10104	2.1
123.04411	0.3
123.08085	0.5
123.11642	0.6
125.09610	0.5
129.06973	0.9
131.01881	2.4
131.08560	2.0
132.02666	0.8
133.03461	0.5
133.10132	2.4
135.08002	0.5
135.11617	1.1
141.06888	0.5
143.08502	0.6
144.02652	0.6
145.03453	0.6
145.10104	2.0
147.11655	2.5
149.02921	1.0
149.09584	0.7
149.13190	0.8
150.03746	0.4
155.08495	0.4
157.03413	0.5
157.10039	0.7
159.04941	0.4
159.08078	0.3
159.11707	1.4
161.09644	0.3
161.13228	1.1
163.11087	0.4
167.05524	1.0
169.10049	0.3
171.04951	0.4
171.11665	0.9
173.06525	0.6
173.11694	0.4
173.13228	0.9
175.11171	0.4
175.14777	0.8
183.05072	0.4
185.06577	14.4
185.13229	0.4
187.04536	0.3
187.08125	0.7
195.04945	0.4
197.10098	0.3
198.53534	0.3
199.08142	0.5
199.14810	0.5
201.09686	1.2
203.05809	0.5
203.07623	6.4
205.09206	0.8
207.04997	0.5
207.12209	1.5
208.08144	2.7
209.10197	1.0
211.08353	0.4
213.09665	0.6
215.11220	1.8
219.10696	0.6
221.10213	0.4
223.11745	1.3
225.06030	0.4
225.09715	0.8
225.13300	5.2
227.11209	2.9
233.12334	0.6
235.08141	0.6
235.11676	0.4
239.11201	1.7
241.12779	3.4
241.19398	1.4
243.14395	47.3
244.11624	0.6
244.14503	0.8
245.10187	0.6
245.12442	0.7
248.15002	1.4
251.11308	0.6
253.09044	0.6
253.12770	1.1
255.14380	0.3
257.12341	2.8
259.13919	0.5
259.20575	2.9
261.15463	16.3
262.15631	0.5
263.11243	4.0
264.11978	2.3
264.14203	0.3
265.12772	0.6
266.16000	6.2
269.12131	0.7
271.13852	0.9
275.20059	2.8
277.21353	0.3
280.14279	0.5
281.12311	9.6
282.13120	2.7
283.13757	1.1
284.17145	1.7
286.12891	0.6
287.13699	0.3
289.17456	0.5
291.14456	0.9
291.17932	0.7
293.20935	0.3
300.14127	0.7
304.13947	1.8
309.15448	1.2
309.19196	0.8
315.17944	1.8
333.19049	17.4
333.24091	2.3
334.19223	0.6
335.25674	0.9
343.99185	0.3
349.23941	0.7
351.20123	100.0
352.20325	3.1
356.20602	1.0
367.24741	2.2
369.21280	1.0
374.21719	27.0
375.21930	0.6
533.39825	0.4
545.38641	0.4
551.41315	0.4
607.43219	0.6
625.39484	1.5
634.29187	0.3
643.40405	31.9
644.40753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01868	7.8
55.05515	14.6
57.03428	20.9
57.07068	1.6
65.03936	6.3
67.05499	53.6
69.03421	2.6
69.07059	11.4
71.04972	3.7
71.13611	1.5
71.13948	3.5
77.12930	1.4
78.42818	1.5
79.05486	34.8
81.03414	1.8
81.07050	45.7
83.04977	3.2
83.08609	7.0
85.06537	10.4
91.05476	31.3
93.07037	36.7
95.04954	47.4
95.05546	2.7
95.08599	26.8
97.06537	5.6
97.10165	3.2
99.08076	2.2
105.07019	23.0
107.04955	12.0
107.08587	25.8
109.06506	62.7
109.10140	11.7
109.74826	1.8
111.08044	2.7
113.05997	26.9
117.07008	11.8
119.08566	12.7
119.31447	1.4
121.06498	5.0
121.10129	12.6
123.08069	4.3
123.11666	3.8
123.31678	1.4
129.06989	7.0
131.08559	17.1
133.06461	3.3
133.10132	10.9
135.08040	44.1
135.11682	11.2
142.16162	1.5
143.08549	5.8
145.10066	13.5
147.08066	5.1
147.11667	8.1
149.09596	5.0
149.13274	5.3
149.68538	1.5
155.08524	2.4
157.10085	7.5
159.08006	2.3
159.11742	9.2
161.09613	9.3
161.13220	3.3
163.11166	4.4
171.11691	4.0
173.13254	4.2
175.11209	3.1
175.14825	3.0
177.12729	3.5
183.11710	1.8
185.13292	3.7
187.11096	2.3
187.14835	1.9
199.14810	3.5
201.12683	1.8
217.15855	11.8
227.17966	2.2
233.15443	1.7
237.16348	2.7
241.19394	1.7
255.17494	3.0
259.20636	3.2
261.21802	2.2
273.18466	36.5
275.20157	3.4
277.21771	1.5
291.19510	100.0
309.20654	1.9
333.24393	2.2
335.25772	37.2
347.22125	5.2
349.23865	1.5
365.23203	13.0
370.67355	1.6
406.16724	1.9
545.37708	2.4
607.43414	7.5
625.44568	38.7
643.42883	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	643.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10989	1.2
53.03929	3.3
55.01870	8.2
55.05260	2.1
55.05508	25.4
57.03432	16.1
57.07064	2.2
59.06479	1.3
63.29308	1.5
65.03931	2.9
67.05499	70.4
69.03412	3.6
69.07062	22.7
71.04980	4.7
71.63715	1.4
74.42666	1.5
79.05488	46.7
81.03395	3.5
81.07051	70.9
81.11109	1.5
83.04965	4.7
83.08614	12.9
85.02930	1.6
85.06539	7.3
91.05471	38.8
93.07035	53.3
95.04964	31.2
95.08598	36.7
97.06532	7.3
97.10174	9.7
99.08076	2.8
105.07018	30.1
107.04940	10.4
107.08591	27.8
109.06506	38.3
109.10145	19.3
111.04394	2.4
111.08072	4.5
113.06007	16.8
115.05420	1.6
117.07007	14.8
119.08568	27.0
121.06494	6.9
121.10146	15.8
123.08047	5.9
123.11681	4.4
125.09617	6.5
128.06227	2.8
129.06981	5.9
131.08556	18.7
133.10123	17.8
135.08034	23.7
135.08987	2.4
135.11702	10.7
137.09608	2.9
143.08534	8.9
145.06438	1.7
145.10114	17.3
147.08029	6.4
147.11652	12.5
149.09584	4.8
149.13232	6.2
151.11111	2.5
153.09193	1.7
153.12717	2.2
155.08572	2.3
157.10097	9.4
159.08051	2.1
159.11682	11.5
161.09584	7.4
161.13214	7.1
163.11200	3.8
165.09061	2.3
165.12645	1.8
167.08534	1.7
169.10109	2.9
171.11658	6.1
173.13257	4.9
175.11159	1.6
175.14845	3.4
177.12706	3.9
183.11674	2.0
185.13268	3.2
187.11182	2.3
189.11157	5.2
189.12729	2.3
193.19247	1.5
195.11711	2.2
199.14725	3.2
217.15971	8.1
223.13277	4.6
227.12685	3.1
227.17944	2.9
241.19585	3.5
245.18854	3.1
255.17493	2.8
257.18903	1.6
259.20480	7.4
261.21982	4.6
273.18484	29.4
275.20142	7.4
291.19522	100.0
292.19724	2.3
309.20636	2.2
317.24847	2.2
333.24298	7.9
335.25766	67.3
336.26025	2.1
347.21957	7.3
349.23691	1.7
351.56552	1.4
363.34940	1.5
365.23184	17.9
367.24802	3.1
545.38043	2.0
551.41089	2.5
607.43250	7.6
625.44476	60.9
626.44928	2.0
643.37128	2.5
643.45526	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	643.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01868	8.5
55.05503	13.9
57.03432	18.3
57.07054	1.8
58.39567	0.9
59.04999	1.1
65.03927	3.6
67.05499	57.3
69.03404	1.7
69.07059	12.5
70.30067	2.1
70.30454	3.9
71.04975	2.4
79.05486	35.2
81.03391	2.0
81.06568	2.2
81.07050	42.0
83.04980	4.0
83.08609	6.6
85.06536	10.3
91.05467	27.2
93.07033	36.5
95.04961	45.3
95.08597	25.9
97.02900	1.0
97.06537	7.0
97.10156	3.9
99.08109	1.4
103.05439	1.3
105.06364	1.9
105.07018	22.1
107.04953	8.7
107.08585	23.3
109.06508	57.3
109.10155	9.5
111.08092	1.7
113.05996	28.2
115.05449	2.4
117.07011	13.0
119.08569	14.9
119.43416	1.1
121.06491	5.8
121.10129	11.3
123.08063	4.3
123.11697	2.3
124.22784	0.9
125.09608	1.8
128.06187	1.8
129.06985	6.4
131.08568	18.8
133.06477	3.2
133.10123	10.5
134.22562	1.1
135.08041	42.8
135.11688	11.5
137.09583	2.2
139.90955	1.1
143.08545	7.8
145.10144	10.2
147.08047	5.7
147.11699	3.8
149.09622	6.2
149.13243	2.6
157.10152	4.4
159.08028	2.9
159.11711	6.7
161.09604	6.0
161.13280	3.4
163.11168	3.5
163.14865	1.2
165.12758	1.0
171.11691	4.4
173.13208	2.5
175.11218	2.5
177.12817	2.1
185.13275	1.2
187.11201	1.5
187.14809	1.2
189.12732	1.6
195.11644	1.1
195.13777	1.3
199.14771	4.1
217.15887	14.1
227.17931	2.3
233.15434	1.4
245.19145	1.7
255.17519	2.4
261.22159	1.5
273.18466	31.1
275.20062	1.3
279.16083	1.2
291.19519	100.0
292.19757	1.5
309.20639	2.1
335.25748	38.2
347.22336	4.9
365.23218	12.1
545.38354	1.2
567.40417	1.8
607.43298	5.5
625.44556	39.1
626.44214	1.9
627.72070	1.1
643.46088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.1
55.01861	12.5
55.05256	2.2
55.05503	30.8
57.03428	13.3
57.07059	4.2
59.04987	1.7
59.70048	1.6
60.02241	1.5
65.03925	3.8
67.05495	78.2
69.03413	3.4
69.07057	27.1
69.30522	18.5
71.04969	4.9
71.08623	3.4
79.05480	62.6
81.03409	8.3
81.07043	100.0
83.04978	12.5
83.08595	16.9
85.02900	1.7
85.06519	4.8
91.05467	62.6
93.07028	66.2
94.07346	2.4
95.04959	15.3
95.08597	47.6
97.06533	12.8
97.10160	5.6
98.21334	6.5
99.04448	2.0
99.08102	3.6
99.86760	1.5
105.07014	54.3
106.07328	1.7
107.04929	7.4
107.08588	40.9
109.06488	12.4
109.10149	21.4
111.04468	4.0
111.08048	6.5
115.05444	2.4
117.07001	23.0
118.97530	1.4
119.04936	1.7
119.07677	2.9
119.08560	52.0
121.06479	5.0
121.10123	27.7
123.08051	13.1
123.11669	6.9
125.09614	6.7
128.06215	2.0
129.05437	1.7
129.06984	14.6
130.07770	3.6
131.08554	33.4
133.06500	2.5
133.10109	44.8
135.08017	6.0
135.11676	20.8
137.09587	5.4
139.07390	1.7
139.11105	1.7
141.06973	4.3
143.08557	12.2
145.06491	1.6
145.10109	31.9
147.08043	6.6
147.11670	30.3
148.12010	2.0
149.09613	8.6
149.13205	9.9
151.11134	3.0
153.09090	1.5
155.08542	4.3
156.09218	1.9
157.10101	13.6
158.04672	1.6
159.08063	1.8
159.11676	20.4
161.09583	5.7
161.13232	18.6
163.11128	9.9
163.14771	2.9
165.12764	3.0
169.10117	6.1
171.11671	16.0
173.09612	3.0
173.13243	11.0
175.11118	4.4
175.14789	9.9
177.12724	3.5
179.14291	2.8
181.10059	3.5
181.12280	2.2
183.11652	5.6
185.13211	9.4
187.14772	3.9
189.11172	3.6
189.12730	3.0
189.16423	3.3
191.10547	1.6
195.11613	1.6
197.13252	4.8
199.14810	6.0
199.87193	1.6
201.16312	3.3
203.14296	1.7
209.13225	2.9
215.17946	3.0
217.15820	1.5
223.14798	1.8
225.16364	2.5
227.12769	4.0
228.80670	2.0
229.19463	3.5
231.21019	2.8
233.13062	1.7
239.17886	5.1
241.19519	15.0
243.20839	2.0
245.18948	2.8
257.18954	9.1
259.20517	32.6
261.22177	3.8
263.20050	3.5
267.15753	2.6
269.17264	2.2
273.18381	7.6
275.20029	33.2
276.20255	3.0
277.21542	6.8
289.21561	4.5
291.19501	14.0
293.21030	3.4
315.23087	4.0
333.24237	29.6
335.25787	13.1
349.23605	10.2
351.25153	3.2
363.25247	2.7
364.74979	2.0
365.23163	6.6
367.24673	16.0
423.14191	2.1
425.15997	4.2
426.16559	2.8
439.13654	2.9
441.19009	9.6
453.15186	2.9
467.12610	2.9
467.17896	3.4
468.17950	2.9
469.18643	10.3
470.18683	3.1
481.14828	11.8
482.15143	3.4
496.17343	8.2
497.18164	4.7
501.35522	3.8
509.18042	2.5
515.38135	3.6
527.37292	5.4
533.40045	3.8
545.38165	5.8
551.40503	4.0
555.22162	5.1
583.21814	48.3
584.22070	16.1
607.43512	12.8
611.21356	2.2
625.44574	31.3
643.24091	42.4
643.41321	31.9
644.24121	11.0
644.41217	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
54.02087	0.7
55.01861	5.4
55.05253	1.5
55.05504	20.9
57.03431	9.3
57.07060	3.2
59.04995	0.8
63.29415	0.6
65.03924	2.1
67.05497	54.1
69.03412	2.3
69.07059	24.5
69.60969	2.9
69.61396	2.6
71.04986	5.1
71.08616	2.6
72.27435	0.6
79.05484	50.8
81.03419	3.4
81.07047	100.0
83.04982	6.6
83.08608	12.6
85.06525	4.1
91.05468	54.8
93.07033	53.3
95.04960	12.5
95.08596	37.2
95.09213	1.1
96.08939	0.8
97.06512	8.9
97.10154	3.5
99.08087	5.3
103.05473	2.1
105.07020	58.4
107.04945	8.1
107.08584	29.3
109.06512	14.9
109.10142	15.8
111.08078	3.7
111.11759	0.8
113.09594	0.9
115.05455	3.1
116.06194	0.9
117.07014	17.4
119.08571	50.0
121.06509	3.9
121.10140	23.7
123.08063	7.4
123.11700	9.5
125.09622	1.9
127.07516	1.1
128.06210	1.6
129.05479	1.0
129.06984	10.2
130.07805	1.0
131.08560	24.7
133.06505	1.4
133.10115	36.2
134.10420	1.1
135.08044	4.5
135.11678	14.4
137.09598	4.2
137.13277	1.5
139.11172	1.2
141.07014	1.5
142.07811	1.7
143.08545	8.2
144.09355	1.0
145.06477	1.5
145.10114	22.0
145.11253	1.1
147.08076	2.7
147.11667	42.4
148.12088	0.8
149.09584	7.5
149.13249	11.4
151.11247	2.4
152.11421	0.9
155.08510	2.2
156.09311	1.3
157.10106	10.7
159.08008	1.4
159.11667	16.6
161.09648	3.2
161.13240	23.9
163.11171	6.7
163.14742	3.7
165.12711	6.2
167.14282	0.9
169.10155	3.3
171.11649	9.0
173.09642	1.0
173.13229	12.2
175.11191	3.3
175.14822	12.4
177.12759	2.9
179.14305	2.5
181.10156	0.9
183.11690	2.6
185.13228	7.2
187.14769	3.5
189.12775	3.7
189.16377	1.3
191.14284	1.5
193.12277	2.5
195.11804	1.1
195.13824	1.4
197.13336	2.4
199.14787	3.9
201.12744	0.9
201.16409	1.6
203.14333	1.4
205.12151	0.8
207.13751	1.1
211.15085	1.1
213.16412	2.5
215.18015	1.8
217.15903	1.4
217.19574	1.4
219.17531	0.9
227.12883	0.8
229.19530	2.4
231.17508	1.0
231.21083	5.1
233.15436	0.9
235.16922	0.8
239.17990	2.1
241.19501	26.3
243.21129	1.1
247.20630	3.2
247.81195	0.8
257.18951	7.5
259.20551	48.3
260.20822	1.4
261.22266	1.2
267.15848	1.0
273.18457	1.6
275.20038	35.1
277.21567	3.8
291.19528	3.0
293.21118	8.6
315.23135	5.9
331.22906	1.3
333.24210	52.3
334.24588	1.3
335.25809	3.2
347.22385	0.7
349.23682	8.8
351.25150	3.7
365.23221	1.0
367.24753	25.7
368.25418	1.1
444.25336	0.8
497.90756	0.8
501.35495	1.3
515.38214	2.2
533.40057	3.7
545.38477	3.9
551.40881	4.0
583.28632	1.0
607.43335	7.1
625.44440	16.6
643.41736	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	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.46881	1.0
55.01868	6.3
55.05503	23.4
55.82036	1.0
55.94442	1.1
57.03426	9.5
57.07063	4.0
59.04992	2.0
65.03934	4.2
67.05497	73.5
68.05836	1.8
69.03421	3.7
69.07058	28.6
71.04972	5.9
71.08627	1.7
76.14185	1.1
76.35778	1.1
77.03927	1.3
79.05483	52.7
81.03407	4.2
81.07046	100.0
82.07383	1.6
83.04975	7.0
83.08611	16.2
85.02911	1.0
85.06540	4.7
91.05466	60.6
93.07032	57.4
93.44613	1.0
94.07348	1.4
95.04961	11.9
95.08597	47.8
97.02893	1.4
97.06510	11.1
97.10149	5.7
98.21535	1.8
98.98438	1.5
99.04465	1.1
99.08079	4.3
103.05441	1.8
104.33818	1.1
105.07015	62.7
106.07451	1.1
107.04930	7.4
107.05592	1.1
107.08582	34.6
109.06499	13.0
109.10139	22.5
111.04434	2.2
111.08047	5.8
112.35513	1.1
115.05476	1.8
117.06989	18.8
119.08564	53.9
121.06518	3.2
121.10127	26.4
123.08047	8.1
123.11709	9.2
125.09634	4.4
128.06187	1.5
129.05495	1.8
129.06996	12.1
130.07767	1.2
131.08546	29.1
132.08923	1.2
133.06502	2.7
133.10112	46.7
135.08086	5.6
135.11676	18.2
137.09616	3.2
137.13261	1.7
141.07025	2.1
142.07797	2.1
143.08546	13.3
144.09250	1.4
145.06476	1.3
145.10101	27.5
147.04340	2.4
147.08011	2.7
147.11667	42.4
149.09602	7.9
149.13240	10.1
151.11166	3.5
155.01038	2.4
155.08549	5.2
156.09251	1.7
157.10139	11.9
159.11685	18.9
161.09628	2.9
161.13232	20.1
163.11160	5.0
163.14806	3.4
165.09132	1.3
165.12781	5.8
169.10118	5.4
171.11678	14.1
173.09697	1.5
173.11829	1.7
173.13220	12.5
175.11186	4.3
175.14755	12.1
177.12758	3.5
178.51706	1.2
181.10118	3.0
181.12263	1.1
183.10229	1.2
183.11644	5.6
185.13293	8.1
187.11099	1.4
187.14815	4.8
189.12766	2.8
189.16350	1.8
191.14380	1.3
193.12256	3.0
195.11681	1.5
197.13269	4.0
199.14821	4.8
201.12741	1.7
201.16321	2.8
203.14334	1.8
209.13275	2.4
211.14853	2.5
213.12880	1.2
213.16447	2.6
215.17975	3.6
216.01686	1.3
221.13354	1.3
225.16364	1.2
227.17789	1.3
229.19513	2.7
230.40121	2.0
231.17427	2.0
231.21114	5.3
239.18053	3.1
241.19485	24.3
241.21944	1.2
243.21127	1.7
247.20560	1.8
251.17801	1.2
257.18924	8.4
259.20529	41.7
261.22192	1.4
263.20197	1.3
273.18573	3.7
275.20035	43.9
276.20294	2.3
277.21460	3.7
289.21619	1.5
291.19595	2.7
293.21072	10.0
308.78726	1.2
315.22971	6.1
316.73779	1.2
331.22672	1.7
333.24203	46.1
335.25775	9.7
349.23663	10.9
351.25177	3.6
365.23355	3.1
367.24698	25.5
441.33710	1.2
497.36905	1.9
513.35669	3.0
515.37708	5.2
527.37109	4.4
533.39630	4.0
545.38281	8.7
551.40894	4.0
607.43732	13.0
625.44470	26.2
643.29968	3.3
643.45709	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	644.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30276	0.2
53.03935	0.6
55.01866	0.5
55.05510	3.4
57.03178	0.3
57.03434	4.5
58.85832	0.2
59.04990	0.3
59.74793	0.2
61.02632	0.4
61.02919	5.3
63.71153	0.2
63.73465	0.2
65.03931	0.4
67.05160	0.4
67.05499	5.7
69.03421	2.2
69.07060	1.7
70.06583	0.3
70.92972	0.5
70.93287	0.2
71.04997	1.3
73.02914	2.1
79.05485	5.5
79.20316	0.2
81.03411	22.6
81.07050	7.4
83.04975	5.1
83.08613	8.2
83.09102	0.5
85.02896	12.6
85.06529	0.7
91.03947	4.9
91.05476	7.7
93.07032	4.6
95.04964	8.6
95.08597	2.9
97.02879	3.3
97.06532	1.1
97.10168	1.2
99.04427	0.5
103.03912	0.3
105.07025	6.4
107.04932	2.3
107.08591	2.4
109.02809	0.5
109.06520	1.4
109.10146	0.8
111.04419	1.0
111.08076	4.7
113.05997	0.8
115.03921	0.3
115.05453	0.5
117.07005	0.5
119.08574	5.5
121.06505	0.7
121.10130	3.1
122.35065	0.2
123.08042	0.8
123.11716	0.4
125.09638	0.4
127.03907	1.9
127.07587	0.4
129.05522	0.3
129.06996	3.4
131.08556	4.1
133.06488	1.2
133.10126	4.2
137.09613	0.7
139.03934	0.3
142.07755	0.8
145.04926	1.9
145.10132	0.5
147.08018	1.4
147.11676	5.8
149.09595	2.3
151.11133	0.2
157.10118	4.9
163.06006	2.8
165.12733	1.0
168.80579	0.2
175.09714	0.5
175.11179	6.7
193.12230	21.3
194.12561	0.3
209.08102	0.5
211.09705	0.8
211.13272	16.4
229.14223	0.5
247.76659	0.2
267.15900	6.6
281.78113	0.2
285.16937	100.0
286.17279	0.6
295.25845	0.3
306.96939	0.3
352.31454	0.2
393.19235	0.3
411.20026	0.4
429.21112	2.0
437.05057	0.3
447.22266	3.4
533.32623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21207	8.6
50.39452	9.9
52.87119	10.0
56.22952	7.5
82.19501	9.6
82.96867	9.0
92.41091	9.5
142.41939	9.3
606.27838	11.1
646.24463	100.0
647.24530	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	646.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46709	0.4
63.96317	0.5
65.90032	0.4
70.70000	1.6
116.37888	0.4
150.32864	0.4
199.38353	0.4
212.09952	0.4
254.21120	0.4
401.17673	0.6
402.18381	0.5
403.19263	1.3
415.19305	0.8
416.20184	0.9
417.20969	2.1
418.21497	1.1
429.16858	1.2
429.21542	0.8
430.17169	0.6
431.18585	1.8
431.22968	1.5
432.23157	0.5
433.23895	4.9
444.18634	2.4
445.19592	3.7
446.20627	0.8
459.21713	27.6
460.22470	6.1
461.23560	2.8
470.19794	0.5
471.21609	0.5
473.23376	1.7
476.22186	0.4
487.25748	0.6
505.25781	0.7
519.23352	3.9
531.23767	1.6
532.24780	0.6
546.26141	1.1
547.26965	15.0
548.27472	0.8
563.26672	0.5
574.25525	1.6
577.24249	0.5
580.75220	0.4
591.26422	1.8
606.28290	100.0
607.28680	4.7
617.26593	1.0
626.71204	0.5
646.30115	8.4
647.30212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
59.89592	0.8
65.03941	1.2
67.05493	1.9
68.99789	1.7
69.03414	1.4
70.02957	3.4
70.06588	11.8
71.04970	0.7
79.05481	0.9
85.02916	2.1
91.05499	1.9
95.04966	7.0
97.02905	1.4
103.05449	1.1
105.03388	0.9
105.07042	1.1
107.04988	1.9
109.02881	0.9
111.04467	1.7
115.05428	1.1
117.07039	0.9
119.04919	2.4
121.06527	0.8
123.04414	29.3
125.73918	0.8
127.03902	1.8
129.07010	1.4
131.04930	1.6
133.06516	2.2
133.51549	0.8
135.04399	22.7
135.05411	1.5
136.07591	1.1
137.02306	2.1
137.05972	2.0
138.05524	2.1
139.03896	18.3
139.04884	1.3
145.02853	1.8
145.06512	1.4
147.04390	5.7
149.05960	2.8
151.03883	7.8
151.07509	4.0
153.01875	2.3
153.05478	2.6
157.06485	1.2
159.04462	1.3
161.06000	7.1
163.03897	26.9
163.07526	3.8
165.05524	1.9
171.08086	0.7
173.05989	3.5
175.03918	1.1
175.07568	1.2
177.05516	3.4
178.08618	1.3
179.03500	1.6
179.07018	23.8
179.08496	1.6
181.04985	1.5
181.06488	1.0
183.08064	0.7
185.06003	2.3
188.07088	2.2
189.05516	1.5
190.08640	2.5
191.03384	1.2
191.07021	7.1
193.05045	1.5
196.09671	8.5
197.06120	1.1
201.05502	2.7
203.03441	1.6
203.06987	3.7
205.05092	0.9
207.08148	1.1
208.09766	2.2
213.05528	2.1
215.07083	1.1
217.05003	1.0
219.06506	1.6
221.08051	1.0
227.07082	1.3
229.04948	1.3
235.07672	1.9
237.05458	0.9
237.09077	0.9
238.10800	1.7
241.05017	0.9
243.06409	1.0
245.04439	1.4
247.06030	1.4
251.07126	1.0
253.04953	2.0
253.08658	2.9
255.06473	5.0
257.04642	1.8
257.07944	1.8
259.06110	3.3
263.06992	1.5
266.05862	0.9
267.06543	1.0
269.04404	1.5
269.08093	1.4
271.05988	2.2
273.07480	1.7
277.08734	1.5
279.06512	1.3
281.05051	1.3
281.08078	8.6
283.06055	6.6
283.09323	1.1
285.07611	1.8
287.05396	1.6
287.09183	0.9
291.06369	0.9
293.07919	1.3
295.06366	1.3
295.09662	3.4
296.09424	1.0
297.07523	6.3
298.10837	3.6
299.09039	7.1
301.03708	0.8
301.07083	3.0
303.08655	0.9
305.08112	1.4
308.09225	10.5
309.07504	28.5
310.07834	1.0
311.09256	3.0
313.10690	2.5
316.11716	15.6
321.07648	1.8
322.10876	2.7
323.09265	4.8
326.10208	22.6
327.08603	1.0
328.11960	1.7
339.08734	4.5
340.11871	2.6
340.66174	0.8
341.10312	2.8
351.08606	1.3
358.12799	21.9
411.10815	1.0
421.08331	0.9
460.14322	1.9
461.12335	7.1
478.14911	22.4
479.14569	1.2
496.16122	3.3
630.19647	1.2
648.20691	100.0
649.21027	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	649.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	2.0
53.03934	9.7
55.01862	8.3
55.05258	2.1
55.05504	28.7
56.30208	1.4
56.96564	1.5
57.03429	14.1
59.04955	1.7
61.02926	2.5
61.37540	1.3
65.03921	5.3
65.06963	1.4
67.05494	74.5
69.03067	1.7
69.03419	19.5
69.06722	1.4
69.07056	18.5
71.01334	1.6
71.04973	6.6
72.82990	1.6
73.06544	3.6
74.15600	1.5
79.05482	100.0
81.03407	40.6
81.07044	73.1
83.04967	24.6
83.08599	14.2
85.02895	18.1
85.06527	4.4
91.05466	98.6
93.07029	92.4
95.04954	44.0
95.08589	42.6
97.02902	11.4
97.06524	11.6
97.10131	5.9
99.04436	4.1
99.08051	2.4
101.02371	2.8
103.05424	3.8
105.04475	3.2
105.07013	64.2
107.04942	15.8
107.08584	32.7
109.02853	8.3
109.06492	8.6
109.10164	10.1
111.04436	3.6
111.08093	3.6
115.05438	7.5
115.49729	1.5
117.06992	25.7
119.04923	16.5
119.08566	46.0
119.88275	1.4
121.06509	10.4
121.10129	12.3
123.04404	3.6
123.08027	11.8
123.11658	1.8
125.09589	2.3
127.03898	7.6
127.07545	3.3
128.06215	11.2
129.05505	3.3
129.06982	41.2
130.07739	1.9
131.03398	1.8
131.04926	4.9
131.08551	24.6
133.06442	8.2
133.10124	23.5
135.04344	3.9
135.08011	4.5
135.11662	6.3
137.06010	1.8
137.09566	2.1
141.06955	7.3
142.07796	4.2
143.08533	26.2
144.05664	1.8
145.04956	1.8
145.06476	12.0
145.10101	24.7
147.04384	53.4
147.08040	10.3
147.11676	48.4
149.09558	3.4
149.13261	3.1
151.07513	3.4
153.06949	2.1
155.08540	6.6
156.09265	3.4
157.06483	6.5
157.10109	10.3
158.07225	2.0
159.08031	7.2
159.11653	12.5
161.05998	2.0
161.09604	7.1
161.13228	25.3
163.03873	2.7
163.11151	4.7
165.05466	1.5
166.07782	2.2
167.08556	5.4
168.09291	1.6
169.10075	6.3
171.08052	8.3
171.11659	48.1
173.04431	9.8
173.05762	1.7
173.09590	2.6
173.13217	8.9
175.11174	1.9
175.14771	2.5
177.12749	2.3
179.08522	3.2
179.14275	3.1
181.10027	5.3
183.08105	1.7
183.11707	4.3
185.09578	5.7
185.13245	7.4
187.11095	3.3
187.14774	3.8
189.09108	1.8
189.12704	19.9
191.08511	1.8
191.14320	3.2
195.07996	2.0
195.11697	2.8
197.13188	2.9
199.11095	1.6
199.14769	4.3
201.12642	2.4
201.16309	2.3
203.14336	3.5
205.12146	1.9
207.11809	2.0
207.13756	38.2
209.13396	1.9
211.14822	2.6
213.12605	2.3
213.16299	2.7
215.14311	2.3
217.15810	2.3
219.13751	3.2
221.15387	4.7
223.14717	4.1
225.12732	1.6
225.14696	8.0
227.14357	2.0
231.13701	3.7
233.13268	2.4
241.15970	8.7
243.13675	2.4
245.15370	3.8
251.14249	5.2
259.16870	5.4
259.19360	2.4
269.15356	13.8
273.14957	2.0
275.20242	1.6
279.15909	4.3
281.17435	79.1
285.10049	2.1
287.16431	16.5
305.17398	3.7
309.16809	3.2
315.15866	3.7
333.16907	4.0
343.18939	4.6
351.17917	5.7
361.19965	6.6
389.19705	2.9
403.29742	3.1
405.18488	1.9
407.20435	5.1
413.58014	1.9
421.31339	1.8
425.21683	11.3
437.30478	5.6
449.30728	3.0
457.27264	1.7
467.31210	4.8
469.93958	1.5
487.30493	56.0
501.31989	8.0
511.88855	1.8
529.31311	2.8
539.33331	3.9
549.31702	2.5
567.33087	11.9
595.32922	2.1
613.33649	3.4
625.99591	1.6
631.34595	13.3
649.35144	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	649.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.0
53.03938	10.2
55.01872	7.4
55.05255	2.0
55.05504	28.9
57.03431	13.1
57.07052	1.7
65.03921	5.6
67.05498	70.7
69.03419	24.5
69.07060	17.7
70.61487	1.2
71.01347	1.9
71.04994	8.1
71.50829	1.5
73.02908	1.9
73.06540	2.8
79.05484	100.0
81.03407	44.7
81.06572	3.0
81.07047	58.2
83.04972	19.9
83.08611	11.3
85.02897	14.6
85.06516	3.7
86.09682	5.1
91.05470	92.4
92.05800	1.7
93.07034	91.6
95.04962	41.1
95.08594	37.8
97.02886	10.4
97.06522	7.6
97.10139	5.5
98.20726	3.0
98.21400	5.3
99.04434	5.3
101.02398	1.6
103.03918	1.6
103.05447	2.9
104.10708	4.0
105.04496	1.6
105.07018	68.3
107.04931	15.0
107.08578	30.6
109.02869	7.3
109.06496	10.1
109.10126	7.7
111.04409	2.7
111.08052	3.3
115.05452	5.2
116.06248	1.9
117.07005	28.6
119.04922	1.5
119.08566	40.3
121.06492	6.7
121.10114	10.2
123.04378	2.2
123.08060	10.7
124.99966	3.8
127.03941	7.3
127.07552	1.6
128.06209	10.8
129.05511	2.2
129.06981	40.9
130.99915	1.5
131.03372	1.5
131.04897	4.8
131.08559	19.8
133.06490	8.4
133.10124	20.5
135.08020	6.0
135.11676	4.9
137.09589	3.5
141.06969	6.4
142.07713	2.7
143.08545	25.7
145.06470	11.1
145.10101	21.1
147.04379	3.9
147.08020	10.5
147.11671	49.3
149.05972	3.0
149.09595	3.7
149.13153	1.7
153.06927	2.1
154.07777	1.7
155.08528	7.6
156.09343	2.9
157.06454	4.8
157.10101	8.0
159.08049	6.7
159.11664	3.5
161.05991	3.3
161.09604	7.3
161.13216	21.6
163.11179	4.5
165.06978	3.2
167.08511	4.9
169.10107	5.2
171.08020	6.1
171.11659	46.7
173.04449	11.4
173.05850	2.3
173.09625	3.4
173.13243	4.6
177.12726	2.3
179.14285	4.3
181.10117	5.2
183.08038	1.6
183.11629	4.2
184.07326	17.5
184.08791	2.4
185.07964	1.3
185.09610	5.0
185.13155	3.2
187.11163	2.9
189.12735	17.3
191.14241	1.9
195.11673	3.3
197.13220	1.4
199.14662	1.7
201.12827	2.2
203.14322	2.2
207.11874	1.9
207.13765	49.3
209.13280	2.6
211.11159	2.2
213.12776	1.9
221.15340	3.1
223.14784	5.9
225.12924	2.0
225.14766	9.1
227.14317	3.4
228.20045	1.7
231.13707	3.0
233.13217	2.2
233.15417	2.1
241.15866	7.5
245.15324	2.2
251.14365	6.8
257.15253	2.8
259.16879	6.0
260.21021	1.6
261.14752	2.1
263.16400	3.8
267.09085	1.8
269.15353	16.9
278.51428	1.5
279.15918	3.7
281.17447	88.0
285.10037	3.7
287.16403	16.2
297.14899	2.6
305.17447	3.8
309.16855	2.4
315.15881	3.0
330.48627	1.6
333.16928	5.4
343.19159	3.7
351.18048	7.1
361.19968	6.3
377.24838	1.8
379.21277	2.3
381.19138	1.8
389.19281	1.7
407.20544	6.4
416.84021	1.5
423.57791	1.6
425.21686	11.3
469.29440	4.2
487.30496	67.0
488.30789	1.9
501.32080	7.2
518.32623	3.0
529.31543	2.3
539.33575	4.3
549.31836	4.4
567.33087	12.0
585.34131	2.9
595.32184	3.1
613.33289	3.8
631.34583	13.1
649.36511	7.0
649.50562	2.1
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	Hydratoperidinin
Peak:m/z	Relative Intensity
55.01862	0.8
55.05504	5.0
56.62505	0.7
57.03423	0.9
57.07063	1.4
65.03918	1.4
65.08275	0.7
67.05495	6.5
69.03421	2.3
69.07064	4.8
70.65825	0.7
71.04965	0.9
71.63355	0.8
79.05484	6.5
81.03401	1.3
81.07050	13.8
83.04967	2.5
83.08611	3.1
85.06525	1.2
91.05475	18.9
93.07029	13.5
95.04962	4.4
95.08044	1.2
95.08596	17.2
97.06524	8.0
99.08070	2.3
105.07018	22.2
107.08585	19.8
107.09292	0.5
109.06496	5.8
109.10139	9.2
111.04441	0.8
111.08054	2.9
117.06991	4.6
118.67101	0.7
119.04185	0.5
119.04925	25.3
119.08563	26.8
121.06493	1.5
121.10130	13.3
123.08018	2.0
123.11736	3.9
125.09615	5.5
128.06189	1.1
129.06964	2.9
130.07693	1.0
131.08551	15.2
133.10109	14.5
135.08038	2.0
135.11679	4.8
135.40048	0.7
137.09618	2.1
141.06987	1.6
142.07736	3.7
143.08549	10.2
144.09361	2.2
145.10101	25.2
147.04391	100.0
147.11684	10.3
148.04742	1.1
149.05963	1.3
149.09595	4.6
149.13232	4.8
151.11165	2.5
155.08539	5.8
156.09328	2.4
157.10118	13.6
158.10866	1.7
159.08047	1.2
159.11673	23.1
161.09613	1.5
161.13213	10.1
163.07504	1.3
163.11147	5.2
163.14803	3.0
165.05507	4.1
165.12790	1.8
167.08481	0.9
167.10658	1.7
168.09344	2.4
169.10107	7.5
170.10858	2.2
171.11679	9.9
172.12418	1.3
173.13234	18.3
175.11197	3.1
175.14816	7.7
177.12727	2.1
177.16408	2.0
179.10562	0.8
181.10114	2.6
182.10872	1.7
183.11670	18.3
184.12393	0.9
185.13240	13.3
187.11198	1.5
187.14801	18.9
189.12813	1.1
189.16347	2.3
191.14310	3.8
193.12160	1.0
195.11707	2.8
196.12459	1.0
197.13217	8.2
198.14037	1.0
199.11182	1.5
199.14801	15.1
201.12720	29.0
201.16351	13.1
203.14349	3.7
205.12236	4.6
205.15840	2.2
207.11748	1.8
209.13258	2.8
211.14812	4.0
213.12769	0.8
213.16350	4.5
215.10693	0.9
215.14302	3.5
215.17856	2.5
217.15863	4.0
219.13721	1.2
219.17407	1.7
221.13300	1.6
221.15353	3.3
223.14760	2.7
225.16327	3.7
227.17958	1.3
229.12257	1.0
229.15915	1.7
229.19553	0.9
231.17426	1.8
233.13231	1.1
233.15349	1.2
235.14758	2.2
235.16953	0.9
237.16393	2.6
239.17911	1.3
241.19374	1.2
243.13731	1.0
244.62465	0.8
245.15395	1.8
245.18750	0.8
247.13246	14.8
249.16338	1.2
251.17923	1.8
253.19455	1.3
255.21024	0.9
257.15387	2.3
261.14780	0.9
263.17868	1.1
265.19501	1.0
267.21097	1.3
279.20993	1.0
291.21201	1.2
297.18665	1.1
305.22729	1.4
323.19995	0.9
323.23788	1.2
345.25482	1.0
365.28412	4.3
381.27759	0.9
385.28912	1.8
387.30426	1.3
391.26300	3.4
393.31592	0.9
403.30011	11.4
405.31509	4.7
409.27243	1.6
421.30905	10.2
423.32501	2.3
431.29706	4.7
439.32056	2.8
449.30301	9.7
467.31534	9.0
485.32654	5.0
628.54089	0.8
631.36249	8.2
649.40106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
55.72044	0.2
56.96561	0.2
57.03426	0.4
57.07062	0.3
57.08987	0.3
59.94908	0.2
61.02900	0.3
65.03935	1.7
67.05502	2.3
69.03419	2.9
69.07076	1.3
70.33972	0.3
70.74489	0.6
70.74824	0.4
71.04979	0.3
71.09674	0.2
77.16425	0.3
79.05477	2.3
81.03410	0.9
81.07053	5.7
83.04974	0.9
83.08602	0.7
84.94027	0.3
85.02888	0.4
91.05473	14.3
93.07030	4.7
93.24854	0.2
95.04961	2.9
95.08031	0.4
95.08598	4.6
97.02850	0.4
97.06535	0.6
97.10130	0.3
98.03174	0.2
99.04471	1.8
103.54200	0.2
105.07015	5.5
107.08580	4.7
109.06499	1.9
109.10142	2.7
111.04450	0.6
111.08076	0.5
116.06180	0.3
117.07015	1.5
119.04932	26.3
119.08569	7.6
121.06515	0.7
121.10128	3.8
122.57582	0.2
123.04403	0.5
123.08060	0.9
123.11695	0.9
125.09625	0.4
127.07545	1.1
128.06169	0.5
129.07001	0.9
130.07687	0.2
131.08554	4.7
133.06425	0.4
133.10114	4.6
135.08022	0.5
135.11647	1.4
137.09601	0.4
142.07762	0.9
143.08545	3.4
145.10115	5.3
147.04395	100.0
147.11681	3.0
148.04709	0.8
149.09557	0.6
149.13260	1.2
151.07571	0.4
151.11208	0.3
153.09126	0.4
155.00360	0.2
155.08517	0.9
156.09329	0.8
157.10098	3.4
158.10944	0.3
159.07983	0.4
159.11681	4.5
161.09593	0.7
161.13242	3.1
163.07489	0.3
163.11172	0.3
163.14841	0.6
165.05479	2.2
167.08604	0.3
169.10086	1.3
170.10864	0.3
171.11656	2.4
173.09534	0.4
173.13234	3.6
173.65465	0.3
175.11151	0.5
175.14790	1.9
177.09180	0.3
179.14389	0.4
180.09399	0.2
180.67561	0.2
181.10072	0.7
182.10870	0.6
183.11674	1.9
184.12488	0.4
185.13226	4.0
187.14793	4.8
189.12747	0.8
189.16385	1.7
191.14304	0.8
194.10876	0.3
195.11708	0.9
197.13252	1.9
199.14804	3.9
201.12651	0.5
201.16338	2.2
203.14316	1.4
203.17920	0.6
205.15807	0.4
207.13716	0.4
209.13293	0.4
211.14842	1.2
213.16354	2.9
215.14307	1.5
215.17740	0.5
217.15863	1.7
219.13814	0.6
221.13313	0.4
221.15384	0.7
223.14903	0.6
225.16356	0.7
227.18042	0.4
229.15831	0.6
231.13721	0.5
231.17352	0.5
233.15392	0.9
235.16919	0.4
239.17958	0.5
241.19522	0.6
245.15398	0.6
246.12968	0.3
247.16919	0.6
251.18007	0.4
259.17096	1.2
265.19635	0.3
267.21164	0.4
297.18491	0.3
313.21375	0.3
317.22400	0.3
323.27396	0.3
369.27853	0.4
385.28989	0.4
391.30038	0.4
393.27820	0.7
403.29977	2.3
413.28601	0.3
419.29297	0.7
421.31015	2.7
431.29388	1.3
437.30344	2.6
439.32419	0.7
449.30484	4.0
457.32883	0.3
467.31519	17.4
468.31732	0.7
478.33081	0.3
487.33771	0.5
613.35724	1.8
631.37170	0.7
649.39044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01873	1.9
55.05501	3.3
56.05037	0.5
58.99578	3.9
67.05497	5.1
69.03440	0.9
69.07059	3.8
70.02959	0.4
70.95027	0.8
71.04979	1.0
74.00659	3.3
75.00037	0.4
76.02218	9.9
76.03988	1.0
79.05489	4.0
80.05013	1.5
81.03415	0.9
81.07044	9.4
83.04971	1.1
83.06095	2.0
83.08607	2.4
84.04498	7.1
85.01145	0.6
85.02895	0.8
85.04021	0.4
85.06528	0.6
86.00628	0.7
86.99062	1.6
88.02200	0.5
89.01628	0.4
91.05467	3.9
93.07038	4.0
94.06572	0.4
95.04956	1.6
95.08597	2.6
96.04479	0.5
97.01112	1.7
97.02869	0.3
97.06490	0.5
97.10162	2.5
98.00635	0.7
99.01392	0.5
99.05565	0.8
100.02193	0.6
101.00581	0.6
102.05499	0.5
105.07021	2.8
107.04942	1.5
107.08579	3.7
108.04481	0.6
109.06516	1.5
109.07659	0.5
109.10146	2.2
111.02666	1.4
111.05901	0.3
111.08080	0.7
112.02187	5.0
112.03923	0.6
113.00597	1.0
113.01631	0.4
113.02964	1.1
114.03759	1.3
115.05466	0.4
116.01673	5.6
117.07007	1.7
119.04948	0.5
119.08569	3.4
120.08058	0.6
121.06507	1.0
121.10128	0.4
123.01413	0.5
123.02634	0.7
123.08053	2.7
124.02169	3.2
125.09606	1.7
126.03739	1.4
127.02097	0.7
128.06174	0.7
129.06665	1.6
129.13744	0.3
130.05006	2.7
131.08585	1.8
133.06497	0.6
133.10117	1.9
134.09648	0.4
135.02608	2.5
135.08040	2.2
135.11615	0.6
136.02161	0.9
136.03990	0.6
137.09636	1.2
138.03708	1.2
139.02168	0.6
139.03134	0.9
140.01648	0.9
140.05188	0.5
141.04829	0.8
142.03217	2.4
143.02679	0.4
143.08554	1.7
144.01109	2.7
145.06235	1.1
145.09097	0.4
145.10123	1.5
147.02596	0.6
147.04396	0.7
147.08026	0.8
147.10487	0.5
147.11594	0.5
149.04150	0.8
149.09642	0.7
150.03641	0.7
151.05783	1.2
151.11214	0.6
152.01660	1.0
152.05255	0.4
153.06593	0.9
155.08499	0.5
157.10106	0.8
158.09593	0.4
159.08044	1.1
159.11678	0.7
160.11183	0.9
161.09613	1.5
162.02222	4.8
162.03578	0.8
162.12759	0.4
163.02106	0.5
163.07535	0.9
164.05214	0.4
165.07271	0.5
166.03099	0.4
169.06772	0.6
169.10091	0.5
170.02711	0.9
170.11781	0.5
173.09660	0.5
173.13246	0.6
175.05780	1.1
175.11157	0.5
177.03284	1.8
177.07350	2.5
178.06770	0.5
179.04817	4.5
179.10652	0.4
181.06039	1.0
185.03757	2.7
187.05438	2.5
187.11188	0.5
189.11226	0.5
192.08424	2.5
193.06813	1.3
194.10005	2.7
195.08424	0.4
199.07028	0.6
203.04997	0.4
204.08401	1.1
205.06810	0.4
215.04951	1.1
215.51700	0.4
219.08261	0.4
220.07948	0.4
222.09416	3.5
223.08003	0.4
223.10194	0.8
224.11061	1.3
231.04321	4.4
233.05893	2.3
240.10498	5.0
241.11314	5.1
242.12042	2.0
245.05968	0.5
267.16031	0.5
271.17053	0.5
278.12131	2.5
289.17944	3.6
291.19464	1.2
303.14178	1.3
304.19345	0.4
308.09320	1.8
308.12216	0.5
318.18698	0.5
320.16812	0.8
321.15097	4.7
325.15707	0.7
328.17319	0.9
329.15707	0.6
343.13214	0.5
344.13913	0.4
346.18362	6.1
347.16556	0.5
364.15204	0.3
364.19333	8.5
364.23569	0.6
365.13495	0.4
365.19873	0.7
374.15515	0.5
382.15988	4.1
383.14517	0.4
400.17078	20.1
401.17279	0.5
410.15329	0.7
418.18011	2.3
449.21173	2.6
450.19672	0.6
457.19135	2.2
467.22076	9.6
485.18625	1.2
503.19733	100.0
504.19998	3.0
521.21307	1.6
529.20819	0.5
533.23114	0.9
557.20563	0.5
575.21832	7.9
596.26404	0.8
632.23474	1.9
633.22943	0.4
650.24969	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	651.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06693	0.5
57.02978	0.6
67.01852	2.8
67.15060	0.5
68.99784	6.0
69.03403	1.6
70.93159	1.8
79.05476	0.8
81.03396	1.0
83.24249	0.7
84.41985	0.5
85.02879	0.7
91.01807	0.5
91.05467	1.4
95.04971	0.8
97.02847	1.0
99.36639	0.6
107.04942	1.8
111.00796	2.5
119.04955	1.1
121.02866	2.9
123.04429	0.8
125.07397	0.6
127.03863	0.8
135.04401	2.4
137.02328	2.2
137.05925	1.0
139.03844	1.1
145.02888	0.7
147.04411	1.9
153.01810	100.0
154.02089	1.3
161.02350	1.0
163.03886	22.6
165.01842	1.6
166.02567	0.7
169.56639	0.7
171.02908	1.7
171.04370	0.8
175.03862	1.2
177.01888	0.7
179.03392	5.2
181.01331	0.8
187.04057	0.9
188.27660	0.6
189.01776	0.9
191.03366	44.0
192.04140	2.3
193.01297	1.5
193.04994	1.9
195.02863	1.7
195.04564	0.8
199.03967	0.7
202.02687	2.7
203.03380	9.8
204.04128	0.7
207.02887	2.3
209.04463	0.8
215.03392	2.3
217.04829	0.9
219.02878	18.6
220.03580	5.4
221.00925	1.0
221.04376	9.2
223.02231	0.7
225.05446	1.0
227.03374	1.6
229.04951	2.1
230.02142	1.0
231.02863	36.9
232.03603	3.0
233.04404	1.3
235.02348	0.7
237.05482	0.9
239.01633	0.9
243.02971	1.6
245.00761	1.3
245.04462	1.2
247.02339	29.0
248.03101	1.9
249.03941	0.9
253.04933	2.0
254.05661	0.8
255.02837	4.0
257.04440	2.3
259.02359	7.2
260.03043	0.9
261.03885	1.5
265.04971	1.1
267.02982	2.0
267.06448	1.1
269.00977	0.7
269.04498	1.5
271.02362	3.1
273.00162	0.9
273.03986	1.3
277.03244	0.7
277.05295	0.8
279.03137	0.8
279.06506	1.3
281.01083	0.9
281.04507	2.4
282.05109	0.9
283.02432	4.6
284.03027	0.9
285.03952	3.2
287.01797	1.6
293.04340	3.2
294.03760	1.1
295.02429	1.6
295.05991	2.8
297.03940	2.4
299.01917	1.3
301.03455	2.5
302.04233	0.9
305.04480	2.7
309.00623	1.0
309.03894	3.3
310.04712	0.8
311.01859	1.5
312.02701	1.1
313.03369	7.1
315.01144	0.9
317.03198	0.8
318.03891	0.8
321.03799	3.7
322.04700	1.2
323.01889	1.0
323.05450	2.7
324.02875	0.7
325.03421	2.2
329.02863	33.2
330.03528	1.5
333.03976	1.6
335.05450	1.7
337.03366	4.0
338.04272	1.1
339.04977	1.3
341.03125	1.3
342.03644	0.6
343.04645	0.8
345.03650	1.2
349.03516	3.1
350.04327	1.3
351.01343	1.1
351.04892	4.4
353.02863	3.4
355.00732	1.3
355.04630	0.7
357.02451	0.7
358.03101	0.8
359.03970	9.8
361.03464	3.2
363.05051	2.4
364.02011	1.3
365.02890	12.9
366.03601	4.1
367.04654	1.7
369.02274	4.7
375.05289	0.8
377.02829	5.6
378.03741	0.8
379.00513	1.0
379.04645	5.2
381.02261	1.2
383.04169	0.9
385.01895	3.6
389.03018	2.4
391.04388	2.8
393.02341	8.0
394.03149	14.2
395.03961	2.6
397.02161	0.8
401.02594	0.9
403.03439	0.8
405.02216	4.5
407.03870	9.9
417.02155	1.3
419.03973	2.1
421.01315	1.2
421.06259	1.0
425.04962	1.3
429.02048	1.4
431.04099	1.2
433.01776	4.0
435.03293	4.8
441.06311	0.9
443.04071	0.7
445.01828	0.7
447.03467	5.8
451.03043	0.8
453.04434	1.3
457.05927	1.0
461.00937	3.3
463.03033	1.2
469.05771	1.4
471.03329	0.8
479.02872	1.0
485.04858	2.1
489.01065	1.1
495.03146	0.9
497.04926	1.4
503.06454	1.0
513.04541	3.7
525.04443	2.3
531.05328	2.0
541.04199	3.8
543.05621	2.2
553.03644	1.0
559.04718	3.4
569.03461	3.9
571.04932	20.0
571.13995	1.0
572.05548	1.0
587.04498	94.5
588.04810	4.0
589.06079	5.0
597.02911	6.7
605.05615	2.6
607.07001	2.5
615.03973	99.2
616.04474	2.9
633.05048	51.9
634.05493	2.3
651.06104	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	651.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
66.19543	0.6
67.01858	3.6
68.99477	0.6
68.99790	6.2
69.03403	1.6
69.99189	1.2
69.99600	2.0
70.06575	1.3
71.04977	1.7
72.08130	0.7
85.02879	2.4
86.09686	0.8
88.53014	0.6
91.05458	1.7
93.33680	0.5
95.04944	1.5
96.74204	0.6
97.02882	1.4
98.97562	0.6
100.47869	0.6
107.04936	1.5
109.02934	0.6
111.00779	1.9
119.04954	1.0
121.02857	2.3
121.71160	0.6
122.49869	0.6
123.00779	1.1
123.04382	1.5
127.03909	0.9
131.04877	0.8
135.04388	2.1
136.07599	0.8
137.02277	1.9
139.03906	1.5
145.02841	0.7
147.04379	2.1
153.01811	100.0
153.48500	0.6
154.02153	1.2
163.02525	1.4
163.03894	23.3
163.75798	0.7
165.01860	1.2
171.02876	2.7
175.03900	0.7
177.01836	1.1
179.03365	6.7
181.01292	0.7
187.03908	0.7
191.03374	37.6
192.04102	1.9
193.01288	1.2
193.04927	2.4
195.02905	3.0
199.03847	0.7
200.73482	0.6
202.02625	2.2
203.03381	8.3
205.01227	0.6
207.02861	2.7
213.05569	0.6
215.03387	1.5
216.04138	0.7
217.05040	1.1
219.02887	18.3
220.03661	4.2
221.04404	8.5
221.06305	0.6
223.02425	0.9
229.01352	1.2
229.04964	1.7
231.02855	40.0
232.03616	2.6
233.04366	0.8
235.02354	0.6
237.00398	1.0
237.05493	0.9
241.04941	1.2
243.02829	1.0
245.04483	1.4
247.02359	31.0
248.03091	1.9
249.03943	0.7
253.04979	2.1
254.05795	1.3
255.02919	3.5
256.02753	0.7
257.00772	0.7
257.04385	2.0
259.02380	6.6
260.03275	1.0
261.03955	1.3
265.04919	0.8
267.02945	0.8
269.04477	1.3
271.02359	2.2
273.00586	1.1
273.03888	1.4
275.01785	1.0
276.02673	0.6
279.02908	1.0
279.09720	0.9
281.04391	1.9
282.05136	1.1
283.02350	4.9
284.03149	0.7
285.03845	2.7
287.01743	1.2
293.04434	2.4
295.02667	1.2
295.06030	2.4
297.03732	1.4
299.01840	1.3
300.02637	0.7
301.03403	2.8
302.04208	1.2
305.04404	2.7
307.02426	0.6
309.00565	0.8
309.03976	2.7
310.04651	1.3
311.01843	1.7
312.02560	1.5
313.03406	6.5
317.02890	0.8
318.03693	0.8
319.04468	1.1
321.03851	3.8
322.04907	1.6
323.01874	1.0
323.05276	1.4
325.03391	1.2
329.02884	32.4
330.03500	1.7
331.04636	0.6
333.03955	2.2
335.05334	1.1
335.78799	0.7
336.99753	0.8
337.03131	2.9
338.04047	1.4
339.01495	1.3
339.05078	1.5
341.03064	1.7
345.03931	0.8
349.03406	3.0
350.04211	1.9
351.04926	3.3
353.02795	3.6
355.00845	1.0
358.03290	0.9
359.03970	10.6
361.03458	2.7
363.04999	1.9
364.02002	1.3
365.02844	14.6
366.03571	3.8
367.04504	1.6
369.02310	4.0
375.04742	0.7
377.02869	5.1
378.03738	1.1
379.00656	1.8
379.04843	3.3
381.02261	1.4
385.01797	4.1
389.02859	1.8
391.04562	2.8
393.02240	8.7
394.03143	16.0
395.03995	2.9
401.02658	1.0
403.03845	0.7
405.02353	4.5
407.03915	8.7
417.02371	1.6
419.04089	2.4
421.01727	1.7
423.03574	1.4
427.04489	0.7
431.04147	1.0
433.01624	3.2
435.03464	5.3
439.03177	1.6
447.03378	6.5
451.03546	0.7
457.06363	1.0
461.00946	3.0
463.03046	1.3
469.05646	1.3
471.03448	1.7
485.04767	2.4
489.00510	0.8
497.05200	1.3
499.17410	0.7
503.06091	1.7
513.04895	3.6
525.04596	1.4
531.05200	2.4
541.03827	4.0
543.05963	1.3
553.04004	1.5
559.05084	2.3
569.03534	2.5
571.04987	20.6
571.13995	1.0
572.05408	0.9
587.04504	92.0
588.05347	3.6
589.06329	2.7
597.02899	6.5
605.05487	2.7
607.06866	1.4
615.03979	96.6
616.04181	5.0
633.05060	49.3
634.05212	3.1
651.06018	1.6
651.16504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2807
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.07978	1.1
55.05493	1.8
57.07086	1.5
67.05483	4.1
69.07043	1.9
70.83896	3.1
70.84233	1.4
74.63488	1.2
79.05471	1.8
81.07030	4.0
83.08620	1.5
93.07024	2.3
95.08592	3.0
98.20789	1.3
100.15190	1.3
107.14680	1.3
109.10130	2.0
133.10081	1.3
171.32906	1.2
399.16208	2.4
400.16595	2.4
401.17459	2.3
406.21472	1.4
407.22308	2.9
413.17728	2.6
414.18219	3.7
415.19357	9.0
428.19861	5.0
429.21109	8.9
430.21304	3.1
431.18631	1.9
435.21542	2.0
443.17517	2.1
443.22314	4.6
444.18735	7.3
445.20184	3.1
457.20782	6.3
458.20697	4.0
459.17563	2.2
471.22076	8.6
472.23059	6.3
473.19604	6.5
474.20380	2.7
485.19662	3.5
486.20627	8.4
487.21249	4.0
488.22058	1.6
489.22897	1.8
490.20010	3.3
499.15634	1.3
499.21429	15.1
500.21619	4.1
501.19495	1.9
502.19308	1.5
503.24277	4.9
516.20947	2.0
517.22351	9.4
527.20490	4.6
531.23859	21.9
543.23846	1.5
549.25024	7.6
559.23383	100.0
560.23615	4.6
587.22748	17.1
587.41547	1.4
598.15607	1.9
619.25446	94.9
620.25781	3.1
651.28094	26.3
651.40338	2.0
651.43524	2.4
661.07263	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71771	0.4
55.01866	0.5
55.05507	6.3
57.07058	1.4
65.03936	1.1
66.48958	0.4
67.05503	5.0
69.03407	1.4
69.07053	4.8
71.04548	0.9
71.04904	0.4
79.05489	5.1
81.07047	11.7
83.04961	1.5
83.08607	6.6
85.06554	1.1
91.05468	15.5
93.07038	11.5
95.04955	2.2
95.08591	22.0
97.06518	8.6
97.10126	0.8
99.08077	5.5
100.29299	0.5
105.07015	15.8
107.08581	23.9
109.06508	4.0
109.09438	0.7
109.10145	12.6
109.10893	0.6
111.08073	2.7
115.05431	0.8
117.06971	2.7
119.04932	22.7
119.08566	33.7
121.06451	0.5
121.10128	15.9
123.08084	2.7
123.11693	5.1
125.05921	0.5
125.09616	7.5
128.06171	0.8
129.06993	1.9
130.07765	1.0
131.07555	1.0
131.08549	17.5
133.10110	17.0
135.07999	1.4
135.11664	6.9
137.09570	2.1
137.13202	0.7
142.07735	1.0
143.08548	8.7
144.09259	1.0
145.06419	0.5
145.10106	24.5
147.04390	100.0
147.11668	11.8
148.04755	0.7
149.09602	3.9
149.13242	5.6
151.07533	0.8
151.11150	4.3
153.09103	0.8
155.08492	2.2
156.09325	1.8
157.09006	0.3
157.10101	12.1
158.10890	1.8
159.11678	20.5
161.09619	1.2
161.13240	14.0
163.07532	1.4
163.11179	2.1
163.14812	4.0
165.05455	3.7
165.12775	0.8
169.10094	4.3
170.10866	1.9
171.11668	7.6
172.12390	0.7
173.09663	0.5
173.13234	17.4
175.07509	0.5
175.11098	0.7
175.14810	12.2
177.09053	0.8
177.12749	1.3
177.16396	3.2
179.14346	1.0
181.10098	0.8
182.10857	0.6
183.11688	6.6
184.12482	1.1
185.09718	0.6
185.13231	19.4
187.14803	26.4
188.15216	0.5
189.09067	0.7
189.16383	5.5
191.10881	0.4
191.14294	2.2
191.17926	1.2
193.10172	0.6
193.15866	1.4
195.11642	1.5
197.13235	4.1
198.13951	0.7
199.14790	18.1
201.16362	20.0
203.10674	0.5
203.14311	8.0
203.17850	2.9
205.15849	3.2
207.11728	0.6
207.17451	1.1
209.13208	2.2
211.14798	3.9
213.16360	9.8
215.14377	0.9
215.17903	4.3
217.15836	2.5
217.19521	0.4
219.13911	0.8
219.17413	5.3
221.13371	0.8
221.15358	2.4
223.14819	2.3
223.16705	0.5
225.16348	3.2
227.17943	3.1
229.15855	1.4
229.19482	0.8
231.13812	1.0
231.17375	2.9
233.15376	1.2
233.19031	1.5
235.14833	0.8
235.16983	0.5
237.16373	2.0
237.37070	0.4
239.17970	2.3
241.19527	2.5
243.13719	0.6
245.15395	5.1
245.19048	0.7
247.16919	1.5
249.14745	6.6
251.17857	1.6
253.19479	1.7
255.20952	0.7
259.16907	3.0
263.17938	0.9
265.19556	1.6
267.21054	1.7
271.16895	0.8
273.18521	0.5
277.19662	0.9
279.21063	1.1
281.22675	1.6
283.20633	0.7
285.18542	1.2
291.21051	0.6
293.22620	1.0
297.22079	1.1
299.20218	0.6
299.23523	0.6
305.22534	0.8
307.24103	1.6
317.22684	0.8
319.24216	0.7
325.21796	0.6
331.24149	0.8
333.25775	0.6
335.23563	1.5
339.23022	0.6
347.27179	1.8
349.25140	0.9
351.26865	1.0
353.24622	0.7
365.28299	2.9
369.24210	0.6
387.30328	4.4
389.31985	0.6
393.27795	5.5
395.25833	0.7
405.31470	26.8
406.31689	0.8
407.33279	3.5
409.31033	1.2
411.28677	3.1
415.30145	0.7
421.31021	0.9
423.32523	12.4
425.34125	0.6
433.31000	8.7
441.33585	1.3
451.32022	12.3
469.33118	5.7
487.34143	7.0
633.37756	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	651.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01855	0.3
55.05500	2.3
56.15127	0.2
57.07062	0.6
63.02357	0.4
65.03941	0.4
65.14345	0.2
66.75471	0.2
67.05498	3.4
69.07062	1.5
70.66573	0.7
70.66927	0.5
79.05484	3.6
81.07044	6.0
83.04473	0.3
83.04973	8.0
83.08623	1.5
89.03902	7.2
91.05470	3.2
93.07038	6.3
95.04965	2.3
95.08595	9.9
97.06540	0.3
97.10136	0.7
98.21069	0.4
105.07019	6.0
107.04939	2.7
107.08580	9.4
109.06498	0.9
109.10141	5.8
111.08062	1.2
117.03367	7.4
117.06995	1.0
119.08569	8.9
119.09194	0.2
119.09435	0.4
121.06543	0.4
121.10120	6.5
123.08060	0.9
123.11703	1.9
125.09600	2.8
129.07014	0.4
131.08546	3.2
133.10123	6.5
135.04398	19.8
135.08022	0.3
135.11667	3.9
137.13260	0.5
137.49533	0.2
143.08528	1.5
144.09248	0.4
145.02827	13.7
145.10110	6.0
147.04430	0.3
147.11681	4.6
149.09575	0.4
149.13228	3.0
151.11168	0.4
153.09108	0.6
154.63341	0.2
157.10110	1.6
158.06071	0.3
158.86964	0.2
159.11674	6.2
161.13229	4.6
163.03885	100.0
163.11098	0.7
163.14795	2.4
164.04228	1.1
165.12758	0.3
169.10115	0.4
171.11659	1.4
173.09619	0.4
173.13223	3.3
175.11191	0.5
175.14799	3.3
177.09137	0.6
177.12646	0.4
177.16331	2.1
181.04941	4.3
183.11665	0.6
185.13257	1.0
186.05484	1.0
187.11189	0.4
187.13132	0.3
187.14799	5.7
189.16348	5.8
191.14351	0.7
191.17938	3.1
193.15849	0.5
197.13304	0.5
199.14752	1.8
201.16365	7.4
203.14330	0.7
203.17923	4.0
205.15855	2.2
205.19580	0.5
207.17418	0.8
211.14803	0.6
213.16331	1.6
215.14494	0.3
215.17944	4.1
217.15823	1.6
219.17392	2.8
221.15282	1.6
225.16406	0.3
226.32465	0.3
227.17949	0.8
229.15887	0.6
229.19548	0.8
231.17435	0.6
231.20969	0.4
233.15271	0.4
233.19066	0.7
235.16768	1.8
237.18677	0.4
239.18005	0.3
241.19492	0.6
243.21075	0.7
245.18883	0.3
247.16933	4.3
249.18500	1.1
253.19588	0.3
255.20973	0.5
261.18521	3.4
267.20996	0.4
273.18582	1.0
275.20004	0.6
281.22684	0.4
283.24057	0.5
291.19540	1.8
311.23633	0.8
315.23105	0.4
325.28781	1.0
327.23111	0.5
329.24704	0.6
341.24448	0.3
349.28952	0.7
357.27768	0.7
371.29346	1.0
389.32034	1.5
395.29169	1.8
407.27698	0.4
407.33066	8.3
408.33386	0.4
423.32483	0.6
425.34058	2.6
435.32547	3.7
443.35004	0.6
453.33600	16.2
454.33823	0.5
471.34521	0.5
651.40405	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04455	0.4
51.21636	0.3
55.05492	1.3
60.59442	0.3
65.03931	1.6
67.05501	3.0
67.34132	0.3
69.03415	3.1
69.07058	1.7
71.61960	0.6
72.44653	0.3
78.50738	0.3
79.05486	2.9
81.03424	0.3
81.07050	5.1
83.08601	0.7
86.97388	0.4
91.05468	14.7
93.07035	4.7
95.04945	3.5
95.08598	7.7
97.06497	0.8
97.10130	0.4
99.04444	1.6
105.07017	5.9
107.08581	6.1
109.06483	0.8
109.10144	3.3
112.05192	0.4
117.07014	1.2
119.04932	24.9
119.08565	9.7
119.09430	0.4
121.10120	5.0
123.08047	1.3
123.11700	0.8
123.48180	0.4
128.06149	0.4
129.06938	1.1
130.75140	0.3
131.08554	3.3
133.10110	5.3
133.11053	0.4
135.08052	0.7
135.11676	1.5
139.07582	0.4
142.07732	0.8
143.08549	2.7
144.09361	0.5
145.10104	5.5
147.04395	100.0
147.11661	3.7
148.04715	0.8
149.09569	0.5
149.13268	1.7
153.09096	0.8
155.08501	1.0
156.09309	0.8
157.10110	3.1
158.62152	0.3
159.11690	4.2
161.09641	0.5
161.13260	3.2
163.14793	1.5
165.05487	1.7
169.10161	0.7
171.11678	2.4
173.09566	0.4
173.13234	3.2
175.14757	3.1
177.16415	1.4
182.10907	0.4
183.11707	0.9
184.07307	1.0
184.12578	0.4
185.13217	1.5
187.14824	4.3
189.12759	0.6
189.16376	6.0
191.14247	0.7
191.17984	1.2
197.13257	1.4
199.14810	3.3
201.16348	4.0
203.14291	2.4
203.17929	2.6
205.15964	0.6
207.13718	0.6
209.13225	0.6
211.14899	0.8
213.16383	1.6
215.14285	1.2
215.17906	2.7
217.15829	3.5
219.13860	0.8
221.15388	1.2
225.16339	0.5
227.17833	0.6
229.15962	0.7
229.19620	0.5
233.15399	0.7
235.16945	2.7
241.19565	0.5
243.20920	0.5
247.16916	2.0
254.88959	0.4
261.18622	1.7
267.20956	0.5
279.21060	0.3
285.18671	0.4
325.28830	1.1
355.26239	0.7
371.29434	0.9
387.30411	0.7
393.31430	0.7
395.29559	0.7
405.31528	3.9
409.33472	0.4
421.30753	0.5
423.32520	4.3
433.31015	1.5
439.31924	3.5
441.33560	1.1
451.31979	4.2
469.33136	18.8
615.36792	2.7
633.37360	0.5
651.38623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05242	0.8
55.05501	6.3
55.52610	0.5
57.07060	1.6
65.03941	1.3
67.05494	7.4
67.88934	0.6
69.03405	2.5
69.07057	4.5
69.52557	1.6
69.52983	2.7
71.04974	1.6
79.05484	6.7
81.03398	2.0
81.07046	13.2
83.04961	2.5
83.08602	6.1
85.02875	0.8
85.06527	0.9
87.95770	0.6
91.05468	18.7
93.07031	13.6
95.04959	2.6
95.08593	16.6
97.02856	0.8
97.06516	8.3
97.10165	1.4
98.20911	1.7
99.08064	4.5
105.07019	15.1
107.08578	20.4
109.02876	0.7
109.06518	4.0
109.10149	10.4
111.08076	2.0
117.07008	3.0
119.04927	24.3
119.08568	29.3
119.09428	1.4
121.06481	1.2
121.10120	13.0
123.04430	0.7
123.08070	2.0
123.11696	4.3
125.09626	6.4
129.06985	2.0
130.07809	1.0
131.08551	15.1
133.10104	15.6
135.08070	1.3
135.11671	7.7
136.41464	0.6
137.09573	1.6
141.06981	0.6
141.08788	0.6
142.07759	1.5
143.08543	7.9
144.09349	1.5
145.10098	21.7
147.04388	100.0
147.11665	10.6
148.04713	0.8
149.04706	0.5
149.09583	3.2
149.13239	4.6
151.11131	2.8
153.09053	0.6
155.08519	1.9
156.09319	1.2
157.10100	8.9
158.10896	1.4
159.11682	15.4
161.09569	1.0
161.13246	11.5
163.07484	1.3
163.11169	2.1
163.14806	2.7
165.05399	0.9
165.12727	1.2
167.08626	0.6
169.10121	2.9
170.10901	1.6
171.11676	6.7
172.12521	0.6
173.04503	0.6
173.13240	14.5
175.11214	0.9
175.14799	9.0
177.12672	1.2
177.16350	3.8
179.14291	0.7
181.10016	0.8
183.11685	5.4
185.13235	14.3
186.13834	0.8
187.13109	1.1
187.14792	19.9
189.12669	0.7
189.16353	5.2
191.14282	1.1
191.17947	1.3
193.15886	1.1
195.11629	1.4
197.13194	3.9
199.14806	12.8
201.12680	0.9
201.16374	14.6
203.14252	6.4
203.17943	1.5
205.15878	2.4
207.11766	0.7
207.13803	1.2
207.17459	0.8
209.13229	1.5
211.14795	4.5
213.16370	7.1
215.03226	0.7
215.14323	0.8
215.17902	3.0
217.15836	3.2
219.13853	0.8
219.17450	4.1
221.13438	0.9
221.15344	1.9
223.14812	1.6
225.16350	2.3
227.14319	0.8
227.17868	2.7
229.19469	0.8
231.13809	1.1
231.17430	2.6
233.15300	1.7
233.19041	1.6
237.16318	1.3
239.17964	1.5
241.19536	1.4
243.17242	0.6
245.15294	5.6
247.16942	1.6
249.14713	4.8
251.18016	1.1
253.19463	2.0
255.21126	0.8
259.16946	1.9
265.19455	0.7
267.20932	0.7
273.18414	0.7
279.21011	0.9
281.22580	1.4
285.18573	0.9
287.20139	0.7
291.21085	1.0
293.22626	1.2
299.23636	0.8
300.13281	0.5
301.14261	0.7
307.73547	0.6
317.22583	0.7
319.24146	0.8
325.21634	0.8
325.25345	0.8
335.23776	0.8
347.27423	1.2
351.26816	0.8
365.28308	2.0
378.94525	0.6
387.30350	4.7
389.31876	1.2
393.27753	4.3
405.31464	22.3
407.33133	3.3
411.29037	4.1
421.31015	1.1
423.32513	10.6
433.31027	6.9
441.33801	1.4
449.29169	1.0
451.32004	13.4
469.33215	5.3
475.30817	0.6
487.34091	10.6
633.38379	2.8
651.37231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01860	5.6
55.05504	16.5
55.05774	1.0
57.03424	1.6
57.07058	1.4
59.04985	0.7
62.07575	0.5
63.02382	0.5
63.28248	0.5
65.03922	1.6
67.05495	18.6
69.03428	2.5
69.07060	10.4
70.88744	1.4
71.04981	1.2
76.94963	0.5
76.97828	0.5
79.05484	22.2
80.05807	0.6
81.03403	4.4
81.07048	49.3
82.07382	1.2
83.04470	0.7
83.04968	13.1
83.08613	10.4
84.05318	1.4
85.02892	1.7
85.06534	1.3
89.03915	6.7
90.04247	1.2
91.05462	15.6
92.05817	0.6
93.06450	1.0
93.07032	19.1
94.07344	1.5
95.04961	12.9
95.08595	17.5
95.09216	0.7
96.08907	1.9
97.02888	0.7
97.06505	2.3
97.10155	14.5
99.04442	0.9
99.08070	1.3
101.09593	0.5
103.05446	0.8
105.07014	16.4
106.07307	0.7
107.04946	9.1
107.08581	17.9
108.05338	0.5
108.08913	2.4
109.06503	8.1
109.10144	7.6
110.10482	1.0
111.04438	6.4
111.08058	4.8
115.05424	0.9
117.03364	6.7
117.06997	8.8
118.03677	2.1
119.04906	1.4
119.08569	23.1
120.08906	2.4
121.06508	5.0
121.09304	0.8
121.10138	11.0
122.10484	1.5
122.54745	0.5
123.08057	10.1
123.11709	2.9
124.08367	0.6
125.09617	12.2
128.06229	0.8
129.06992	3.7
130.07819	0.9
131.08557	11.0
132.05760	0.7
132.08919	1.1
133.06470	2.3
133.10126	9.6
134.10469	1.9
135.04398	18.3
135.08069	5.0
135.11665	7.7
136.04733	5.3
137.09622	2.5
137.13181	0.5
139.11124	1.1
141.07002	0.7
142.07779	1.0
143.08583	4.1
145.02827	11.8
145.06467	1.6
145.10104	15.6
146.03177	2.7
146.10457	2.1
147.08029	8.8
147.11655	6.8
148.11995	1.8
149.09605	5.7
149.13237	3.0
150.13527	0.7
151.07532	0.6
151.11150	1.0
153.09123	4.3
153.12717	3.1
155.08543	1.6
156.09286	0.5
157.06471	0.8
157.10138	5.2
158.10683	0.7
159.08051	1.6
159.11688	8.0
160.12042	2.8
161.09627	4.8
161.13234	3.9
162.13525	1.3
163.03886	82.8
163.11147	8.9
163.14787	2.1
164.04224	26.1
165.09091	3.6
165.12697	0.9
169.10115	1.0
171.11642	3.4
172.12148	0.7
173.09608	2.6
173.13208	3.7
174.13579	1.4
175.11169	3.2
175.14830	2.8
176.15161	1.1
177.09135	0.5
177.12660	1.0
177.16382	1.4
179.10638	0.6
181.04884	2.8
181.10011	0.5
181.12193	3.5
182.05290	0.9
183.11710	1.0
185.09601	0.7
185.13237	2.3
186.05428	0.8
187.11240	0.7
187.14806	3.9
188.15189	2.9
189.11217	10.5
189.12779	0.8
189.16351	3.1
190.16685	2.1
191.10605	3.5
191.17986	1.7
192.18272	0.7
193.10468	0.6
193.12193	1.6
195.11662	0.7
199.11266	0.9
199.14792	1.7
200.15099	0.9
201.12772	0.9
201.16357	5.0
202.16650	2.9
203.14314	1.0
203.17940	2.6
204.18234	1.6
205.12091	0.7
205.15804	1.6
206.16161	1.4
207.13684	0.9
209.11571	1.0
211.14847	0.8
213.12712	0.9
213.16322	1.6
214.16669	0.5
215.17955	3.0
216.18279	1.4
217.15871	1.4
218.16182	0.7
219.17441	1.8
220.17699	0.9
221.15416	1.1
223.13254	4.9
227.12714	4.6
227.17934	1.9
230.19852	0.8
231.17514	1.1
233.18924	0.7
235.16849	1.4
236.17223	1.1
237.16444	1.0
245.18936	3.5
247.16888	2.0
248.17242	2.2
249.14925	3.4
249.18454	1.4
255.17390	3.9
261.18469	2.1
262.18781	1.7
268.21655	0.5
273.18466	29.5
283.20367	0.5
291.19504	100.0
292.19894	2.0
304.20889	0.5
309.16986	0.7
309.20520	10.1
318.14438	0.6
325.28836	0.8
326.29199	1.2
350.29224	0.8
358.27991	0.5
371.29614	0.8
390.32269	1.7
396.29660	1.5
407.33124	2.6
408.33423	5.4
425.34021	0.8
426.34344	1.8
429.95743	0.5
436.06503	0.5
436.32916	2.0
443.35056	0.7
453.33652	3.9
454.33923	12.4
513.32874	0.5
545.35858	0.9
563.37042	1.9
581.38452	3.6
584.25549	0.5
599.38977	1.6
652.40826	1.5
653.26086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.296
Annotation	Haplophytine
Peak:m/z	Relative Intensity
53.18543	0.6
54.99141	0.6
71.30346	1.2
82.67638	0.5
84.70366	0.5
191.98558	0.5
216.67943	0.6
219.09555	0.5
219.34555	0.6
377.17636	1.3
378.19360	0.6
390.18402	1.1
391.19272	3.2
392.20044	1.4
405.20728	5.4
406.21362	4.8
419.22516	1.5
420.23050	3.6
421.23849	7.7
431.51764	0.6
433.20242	2.1
435.18201	0.9
436.18851	1.7
445.20264	1.5
447.21799	1.1
449.19421	0.8
450.20724	1.6
451.21194	1.2
452.22202	1.5
460.22360	1.5
463.21194	0.7
465.22833	26.9
466.22925	1.5
473.19598	2.0
475.25183	1.7
478.23828	0.8
479.24283	5.4
480.24933	3.2
487.21524	1.7
488.21979	3.2
491.20917	2.1
492.21783	1.7
501.23425	1.0
503.24380	31.5
504.24478	2.6
505.22604	0.7
507.27728	2.2
535.26959	29.1
536.27356	1.8
551.26453	3.5
561.25067	2.4
566.29059	1.0
579.25977	26.7
580.25745	1.7
593.27588	1.8
594.28271	16.6
595.28552	1.3
607.98969	0.6
621.27039	21.3
622.27356	2.9
653.29614	100.0
654.29858	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	653.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55093	0.8
54.98983	0.8
56.95477	0.9
71.12827	1.5
71.13172	1.9
100.86940	0.9
111.65176	0.9
119.42660	1.0
243.77477	0.9
389.17767	1.3
391.19275	1.3
402.22253	1.2
403.19580	2.3
404.19766	2.3
405.20685	7.5
416.20786	1.5
417.20651	2.4
418.21982	1.9
419.22327	6.1
420.22852	2.1
431.22708	1.6
433.24008	4.7
434.24701	3.0
447.21817	3.0
449.19586	6.1
450.20490	3.1
451.20526	1.1
459.21790	1.6
463.21124	4.3
464.22049	5.1
465.23212	1.9
473.20044	1.7
475.21024	1.6
477.22940	3.5
478.23828	2.1
479.24408	27.5
480.25635	1.0
487.21375	4.2
488.21841	1.3
491.25092	2.1
492.24945	1.6
493.25806	1.8
501.22665	3.8
502.23706	1.5
507.27542	17.6
519.24194	1.5
533.26068	4.6
537.24762	8.7
551.26453	25.1
552.26959	1.3
561.24451	5.6
565.28076	14.4
566.28809	65.4
567.29083	1.8
593.27551	7.8
621.27112	15.7
625.29974	1.2
635.28809	1.2
653.29614	100.0
654.29919	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
53.03948	8.5
55.01863	5.6
55.05502	28.2
57.03428	20.2
61.02911	1.6
65.03934	3.8
67.05495	58.5
69.03420	23.0
69.07055	14.6
71.01331	1.9
71.04988	11.1
71.63290	1.4
73.02945	1.2
73.06554	2.0
79.05483	82.8
80.05855	1.5
81.03410	100.0
81.07046	60.3
83.04970	36.1
83.08612	24.9
85.02895	25.1
85.06547	5.1
87.04435	2.0
91.05471	87.5
93.07031	79.4
95.04958	50.5
95.08592	30.0
97.02876	13.6
97.06512	10.0
97.10173	7.5
99.04446	5.0
99.08095	2.5
101.02412	2.2
103.05473	2.9
105.04491	2.3
105.07020	59.9
107.04940	15.1
107.08582	25.8
109.02868	11.2
109.06494	11.5
109.10149	7.9
111.04442	11.4
111.08060	11.0
113.06052	1.9
115.05432	3.1
116.06306	1.3
117.07001	13.4
119.08563	39.5
121.06499	6.3
121.10126	13.1
123.04392	2.3
123.08069	10.5
125.09553	2.4
127.03904	9.9
127.07553	1.6
128.06215	6.2
129.05461	4.4
129.06992	31.8
130.07768	1.7
131.04880	2.5
131.08548	18.2
133.06473	5.1
133.10118	22.2
135.08040	4.4
135.11674	4.1
137.09679	1.3
141.06978	3.6
142.07816	3.5
143.08542	14.3
145.06479	4.8
145.10101	14.5
147.08006	7.3
147.11667	50.1
149.09602	7.3
151.11172	1.8
155.08527	3.4
157.06467	2.6
157.10123	17.5
159.08037	2.7
159.11731	3.8
161.09624	4.3
161.13223	12.9
163.11134	4.2
165.12779	4.1
167.08556	2.0
169.10178	2.2
171.08032	3.0
171.11687	26.1
173.04425	3.2
175.11177	13.7
181.10110	2.3
181.12216	2.2
183.08098	1.6
185.13289	2.3
189.11211	2.1
189.12712	10.9
193.12230	39.2
207.13779	33.2
211.13269	48.9
223.14888	2.0
225.14833	5.3
227.12794	3.9
229.14267	2.1
241.15936	4.4
249.14905	2.5
257.15436	2.5
259.16751	3.4
267.15887	30.4
269.15317	3.9
271.16934	1.4
281.17435	99.6
285.16919	20.9
287.16394	11.9
305.17566	2.4
315.15982	1.8
343.19070	1.9
355.17490	4.6
361.20059	3.0
362.88821	1.5
411.20071	3.0
425.21692	5.6
429.21130	15.9
455.27933	1.6
473.28961	80.5
474.29437	3.9
491.30023	42.0
492.30606	2.2
571.32715	3.8
608.27155	1.5
617.32977	2.3
635.34143	41.8
636.34552	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	653.3522
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.28881	1.5
53.03942	8.8
55.01862	5.6
55.05257	1.8
55.05505	23.7
56.88300	1.7
57.03434	10.1
65.03916	2.0
67.05500	51.5
68.12057	1.7
69.03428	14.1
69.07060	13.8
69.68595	3.1
69.69006	9.3
71.04974	7.9
72.08122	2.0
76.28877	1.5
79.05484	64.0
81.03407	84.1
81.07043	52.5
83.04969	29.4
83.08607	25.8
85.02891	13.8
91.05469	57.8
91.05907	1.1
92.05799	2.2
93.07027	54.4
95.04951	31.6
95.08592	23.1
97.02885	16.1
97.06516	6.3
97.10152	5.2
99.04444	4.0
99.08065	2.0
105.07019	40.4
107.04940	12.6
107.08587	20.9
109.02859	7.9
109.06525	9.4
109.10157	10.2
109.93539	1.9
111.04420	6.8
111.08057	7.5
115.05447	4.1
117.06998	11.5
119.04951	3.4
119.08572	32.0
121.06465	5.4
121.10107	8.6
123.04415	4.3
123.08046	6.3
123.11729	2.3
125.09644	1.6
126.55812	1.5
127.03920	8.1
127.79549	1.5
128.06207	3.8
129.05492	2.7
129.06970	23.8
131.08536	13.9
133.06512	3.1
133.10109	15.3
134.51840	1.5
135.04417	2.1
135.08049	3.2
135.11688	4.0
137.09601	2.5
141.06946	2.2
142.07738	2.4
143.08559	8.7
145.10138	8.4
147.04381	10.0
147.07996	6.3
147.11665	40.3
149.09592	5.2
157.10112	11.4
159.11760	2.2
161.09653	3.1
161.13193	9.1
163.11185	5.3
165.12770	2.3
166.39873	1.8
169.10159	2.1
171.08148	2.8
171.11659	19.2
173.04489	2.1
175.11203	10.1
185.13251	2.1
189.12718	6.7
193.12230	34.7
207.13765	21.0
211.13263	38.1
213.16301	2.2
227.12750	4.1
229.14368	2.4
249.14862	4.1
267.15875	37.0
269.15234	2.0
281.17441	66.5
282.17990	2.0
285.16977	9.4
287.16492	3.8
305.17361	2.2
355.17368	4.6
411.20334	2.1
429.21109	16.8
473.28952	100.0
474.29260	3.6
491.29990	22.3
561.24542	2.0
635.24786	2.9
635.34314	46.9
636.34247	2.8
653.34229	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05509	0.8
57.03417	1.5
57.07060	0.6
58.99577	0.8
61.02914	1.4
67.05484	1.2
69.03419	30.3
69.07049	2.3
71.04990	1.4
71.60843	0.5
71.61189	0.8
73.02916	1.0
76.02223	2.9
79.05479	1.1
81.03404	1.5
81.07040	3.3
83.04977	2.7
83.08610	0.6
85.02894	20.6
85.06511	1.0
90.72173	0.5
91.05467	1.1
93.07026	2.2
95.08601	5.3
97.02881	6.2
97.06482	1.7
99.04419	1.1
100.02177	0.9
105.00076	0.8
105.07004	1.6
107.08576	7.6
109.02863	2.5
109.06504	3.4
109.10150	1.3
111.08050	2.2
113.29401	0.6
116.98599	0.7
119.04920	0.8
119.08566	1.7
121.06469	1.3
121.10127	9.0
122.02710	19.7
123.04424	1.8
123.08041	1.5
123.11703	5.4
125.09611	13.3
127.03902	5.5
131.08572	3.4
133.10091	2.5
135.08035	6.7
135.11662	4.2
139.03859	1.6
143.08472	0.7
145.04944	5.1
145.10089	2.3
146.02736	1.3
147.04416	2.7
147.11655	2.0
149.09625	4.8
149.13243	2.7
151.03804	0.7
151.11205	1.2
153.09079	5.0
158.10893	1.8
158.32460	0.6
163.03842	2.0
163.05978	1.4
163.11150	1.7
163.14799	3.4
164.03709	0.7
165.12721	2.3
167.10701	2.8
173.13260	14.7
176.11958	0.9
191.14285	53.8
192.14552	1.3
200.03757	1.0
209.15338	100.0
210.15717	1.7
223.11424	2.3
241.12546	6.5
244.60794	0.6
248.05792	2.0
266.07068	0.6
284.08044	0.8
298.62106	0.6
330.17279	23.9
371.20523	0.6
372.18918	0.6
492.22595	8.6
636.26715	0.8
654.27820	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	655.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08970	1.8
56.16078	1.9
60.00882	1.9
71.61875	3.1
80.07178	2.0
80.47162	1.7
95.13295	1.7
194.35359	2.0
211.08589	1.8
223.08800	1.8
225.10124	1.9
239.11754	1.6
239.14989	1.8
240.53406	2.1
299.23746	1.9
446.17459	2.8
447.17325	2.4
447.22516	3.4
448.18842	2.5
459.17813	2.7
461.19666	5.5
475.21548	15.0
476.21957	3.9
477.22723	4.1
489.22546	2.6
503.20831	4.2
535.23370	9.0
549.24939	3.7
563.26105	7.3
579.25995	2.6
590.24347	2.6
594.27655	2.9
595.25397	6.2
598.41913	2.2
605.23737	4.1
607.25281	4.9
609.26630	3.0
622.27795	100.0
623.26099	9.3
627.27979	4.0
637.26318	4.9
638.26953	5.6
655.27698	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	655.2756
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
52.10218	0.2
55.05502	0.4
57.03438	0.3
60.91603	0.2
67.05510	1.0
69.07069	0.4
69.78159	1.4
79.05475	0.9
81.07046	0.8
83.08630	0.2
84.79688	0.2
91.05469	0.7
93.07041	0.8
95.04948	0.4
95.08613	0.3
97.02893	0.2
97.31969	0.2
105.07024	0.7
106.44447	0.2
107.08598	0.6
109.06504	0.5
109.10139	0.3
113.05997	0.3
117.07029	0.4
119.08562	0.6
131.08565	0.4
133.10121	0.3
135.08044	0.3
176.38919	0.2
183.09254	0.3
194.67772	0.2
198.49345	0.2
213.09906	0.2
239.11806	0.5
273.18549	0.5
275.20013	0.4
291.19614	0.8
312.14926	0.2
314.12845	0.3
315.13699	0.3
320.47925	0.2
328.14566	0.4
359.13266	0.3
363.16113	0.5
375.15817	0.3
376.17148	0.5
377.17664	1.3
378.18427	0.4
379.19427	0.6
389.17896	0.6
390.18579	0.7
391.19382	2.3
392.19977	1.6
393.21024	1.0
403.19675	0.4
404.16367	0.8
404.20776	0.3
405.16544	2.6
405.21051	0.9
406.17636	0.7
406.21860	0.6
407.22476	3.8
408.22946	0.6
417.16736	0.5
418.17566	1.5
419.18359	6.1
420.19000	1.7
421.20291	1.7
430.17618	0.2
431.18478	0.6
432.19705	0.6
433.20419	10.1
434.15659	0.4
434.21045	5.3
435.21817	6.1
436.22443	0.5
437.19629	0.4
439.21262	0.5
445.20139	0.6
446.21603	0.3
447.17868	1.3
447.22253	1.4
448.18835	0.8
448.23813	0.3
449.05692	0.2
449.19754	1.8
450.20935	0.4
451.21555	0.3
461.19025	1.6
462.20435	3.1
463.21323	3.1
464.22226	0.3
465.18588	1.6
474.20074	0.2
475.21957	1.1
476.22226	0.2
477.18631	0.3
479.19971	1.5
480.21695	0.2
481.22473	0.4
489.22940	0.9
490.20197	1.0
491.20261	1.1
492.21359	0.5
493.21399	1.6
503.20923	0.4
505.22647	0.7
506.23160	0.5
507.19354	0.4
507.24582	0.3
508.21075	0.8
509.21771	0.4
517.22510	0.4
520.25250	1.1
521.25665	8.2
522.25299	0.5
523.26855	0.3
537.25012	0.3
548.24420	1.1
549.24939	12.5
550.25153	0.6
551.22943	0.4
552.23676	0.8
565.24860	1.2
566.24658	0.4
567.26312	0.4
577.24365	8.8
578.24756	0.5
579.23016	0.5
580.26904	1.2
581.27167	1.6
595.25513	4.7
596.25989	0.7
605.23865	0.3
609.27008	2.8
625.27338	0.3
637.26459	5.1
655.27557	100.0
656.27856	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	655.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42266	0.1
55.05502	0.5
57.07052	0.3
62.35716	0.1
66.03785	0.2
67.05503	0.6
69.07050	0.4
69.63958	1.2
75.04471	0.3
79.05468	0.5
81.03440	0.1
81.07045	0.6
83.04971	0.7
91.05486	0.6
93.07027	0.4
95.04968	0.2
95.08579	0.5
98.21416	0.3
105.07020	0.6
107.08530	0.2
109.06523	0.2
109.10134	0.3
109.10844	0.2
117.07012	0.3
118.68692	0.1
119.05136	0.1
119.08583	0.4
129.07005	0.2
131.08583	0.2
133.10130	0.3
147.11703	0.3
159.11754	0.2
163.11168	0.2
175.01521	0.3
181.02614	0.5
193.12283	0.2
206.23959	0.2
227.04691	0.2
275.20132	0.4
291.19489	0.2
310.13538	0.2
313.12186	0.3
376.16656	0.3
377.17737	0.5
378.18457	0.2
379.19360	0.3
390.18427	0.2
391.19116	1.2
392.20087	0.6
393.20602	0.4
405.16315	1.3
405.20914	0.7
406.17645	0.5
406.21854	0.5
407.17679	0.3
407.22360	4.2
407.27393	0.3
408.23099	0.4
417.16446	0.2
418.17990	0.7
419.18063	3.0
419.22690	0.6
420.18820	1.4
420.24100	0.3
421.19818	1.3
432.19510	0.4
433.20578	5.3
434.15921	0.2
434.21100	4.4
435.21805	8.1
436.22516	0.9
446.21191	0.6
447.17703	1.2
447.23120	1.9
448.18610	0.9
448.22961	0.8
449.19012	1.7
451.21362	0.3
460.23001	0.3
461.19513	1.2
461.24045	0.8
462.20334	4.9
462.26370	0.2
463.21164	4.1
464.22638	0.2
465.23187	0.2
475.21265	1.9
476.22067	1.2
477.23001	1.5
478.23495	0.4
479.19815	0.8
481.26126	0.3
489.23004	1.0
490.23547	0.3
491.24542	0.3
492.21436	0.2
493.21671	0.8
493.26874	0.2
494.23169	0.5
495.23703	1.1
498.58920	0.2
505.22272	0.3
506.23334	0.5
507.20383	1.1
508.24704	1.7
509.25558	1.6
517.22430	0.4
519.24280	0.3
521.25616	11.1
522.25745	0.3
535.27026	0.5
540.27301	0.4
547.27356	0.3
548.24255	0.2
549.24927	17.0
550.25348	0.5
553.23761	1.0
557.38330	0.3
563.26495	3.2
564.27338	0.8
565.25909	0.2
567.28717	0.2
577.24615	0.5
580.25891	0.5
581.27594	3.1
583.62781	0.2
591.25806	0.2
594.27771	0.2
595.29205	10.7
596.29639	0.3
599.25269	0.5
607.29022	0.6
609.27008	10.6
610.27191	0.4
623.28601	1.4
624.28577	0.3
655.31165	100.0
656.31256	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.6
53.03946	9.7
55.01861	12.2
55.05507	29.2
56.96549	1.6
57.03429	18.6
57.07065	9.1
59.04992	1.6
61.02927	2.0
65.03943	2.9
67.05497	62.8
69.03425	32.7
69.07054	15.8
69.42399	1.7
69.42686	14.5
71.01344	2.8
71.04977	11.5
73.02917	7.5
74.45498	1.3
79.05045	2.6
79.05486	44.5
81.03409	100.0
81.07046	46.5
81.07512	3.3
82.04205	1.8
83.04967	26.3
83.08609	23.2
84.67397	1.4
85.02894	29.1
85.06540	4.2
85.60674	1.2
91.05469	48.0
93.07043	30.5
95.04955	32.6
95.08606	22.1
97.02880	37.5
97.06528	9.8
97.10155	12.7
97.86031	1.7
99.04448	9.3
99.08076	3.9
101.02359	3.5
105.07021	29.9
107.04938	17.4
107.08572	21.0
109.02879	14.1
109.06501	8.6
109.10145	23.8
111.04440	15.5
111.08066	13.7
111.11700	1.6
113.06009	4.0
115.03942	5.5
115.05457	2.4
117.06987	9.8
119.04955	3.0
119.08570	25.6
121.06481	7.3
121.10131	17.8
123.04417	5.1
123.08062	6.3
123.11698	6.1
125.09624	10.8
127.03898	11.7
127.11179	4.3
128.06241	2.4
129.05484	4.6
129.07004	13.3
131.08533	14.9
133.06474	5.7
133.10127	15.5
135.04433	5.1
135.08035	7.2
135.11702	8.5
137.05986	4.2
137.09616	4.4
139.03920	5.6
139.07533	1.8
139.11177	4.1
141.07014	1.7
142.07791	1.5
143.03418	3.3
143.08585	3.8
145.05040	2.5
145.06404	3.9
145.10100	10.5
147.04347	2.6
147.08052	4.9
147.11662	20.6
149.06017	2.2
149.09560	11.1
149.13223	2.4
151.03954	1.7
151.11134	1.7
153.01794	1.9
153.05455	2.9
153.09142	2.1
153.12784	4.6
155.08548	2.5
157.08821	2.4
157.10078	13.3
159.11684	2.6
161.09575	2.8
163.03899	3.7
163.11142	13.6
165.09163	3.6
165.12762	5.9
169.06433	1.7
169.10103	2.3
171.06482	2.5
171.11604	3.1
173.04454	6.5
173.09631	4.9
173.11739	4.7
173.13261	2.1
175.07584	1.8
175.11174	16.1
177.12743	1.8
179.10625	2.3
181.12219	4.7
185.13263	1.8
187.11217	2.2
189.11201	3.8
189.12785	2.2
191.10678	5.7
193.12225	49.6
199.11230	1.4
199.13216	2.0
201.12814	2.1
203.10706	1.7
205.12189	2.4
209.11679	7.6
211.13278	51.8
227.12657	11.2
229.14285	12.8
249.15012	1.9
255.15891	2.7
261.14899	2.6
267.15869	18.1
283.15359	7.6
285.16919	8.9
287.05569	3.5
289.14401	2.0
301.16638	1.8
335.14447	1.9
353.15994	2.4
355.17545	1.6
363.17987	2.4
383.21973	1.7
409.25873	3.0
411.20047	3.5
421.25845	12.6
427.18985	1.6
431.32056	2.0
439.26761	13.4
440.27179	2.3
475.26575	8.4
476.27716	1.8
483.21875	1.8
493.27866	9.0
495.29984	1.8
619.30579	1.8
619.64276	1.5
623.20892	2.1
637.31818	8.0
638.32239	1.8
655.33026	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	655.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03098	0.3
53.03930	0.5
54.66076	0.4
55.01854	0.8
55.05503	4.4
57.03428	3.4
57.07068	31.4
59.11438	0.4
61.02919	6.7
67.05495	10.5
69.03414	0.9
69.06718	0.5
69.07060	7.7
71.04962	0.4
71.08622	25.2
71.63853	0.5
71.64259	0.5
73.02904	2.9
74.41121	0.4
74.86663	0.4
75.04469	2.6
79.05486	2.1
81.03429	0.8
81.07049	14.2
83.04966	1.0
83.08608	9.1
85.02894	8.8
85.06531	0.6
85.10172	15.5
89.06004	1.2
91.03948	8.5
91.05461	1.9
93.07024	2.1
95.04967	0.9
95.08595	21.0
97.02890	4.7
97.06491	0.9
97.10164	6.0
99.04437	0.5
99.11710	1.2
103.07570	0.7
105.07018	1.4
107.04935	0.9
107.08560	1.2
109.06487	0.4
109.10146	9.2
111.11708	1.4
115.03909	0.6
117.06982	0.9
117.09121	0.7
119.08576	0.9
121.10133	0.8
123.11691	4.6
125.13235	1.0
127.03923	2.1
127.25625	0.4
128.06166	0.4
131.08585	0.5
133.10130	1.1
137.13226	1.5
145.04970	3.6
147.11703	0.5
149.13173	0.4
151.14801	0.6
152.70741	0.4
159.11610	0.4
161.09651	0.5
163.05994	6.2
165.16393	0.5
194.33011	0.4
212.26801	0.4
221.22614	1.4
239.23663	24.7
257.24747	3.1
273.18356	0.7
275.19907	0.6
291.19501	0.6
298.27386	1.2
309.46570	0.5
313.27332	100.0
314.27670	1.4
331.28384	19.1
339.57263	0.5
349.16660	0.5
457.31296	0.8
475.32614	3.1
534.22498	0.5
557.37628	0.6
577.24335	3.8
637.26166	1.3
637.40656	0.5
655.27258	3.1
655.40509	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01865	4.3
55.05506	5.6
57.03428	1.3
62.77414	0.8
65.03922	0.7
66.65041	0.6
67.05495	10.2
69.03427	0.8
69.07064	5.5
70.84615	1.8
71.04983	1.5
74.12524	0.7
79.05487	8.8
81.03394	1.0
81.07049	11.8
83.04967	1.3
83.08605	2.4
84.16377	0.6
85.06530	1.3
90.64868	0.7
91.05472	8.2
93.07039	8.3
95.04955	4.4
95.08597	5.6
97.06519	4.3
97.10154	3.0
99.20922	0.6
105.07021	9.1
107.04948	3.5
107.08575	5.6
109.06497	4.2
109.10153	4.0
113.03725	0.6
113.06013	1.7
117.06971	3.4
119.08569	6.7
121.06516	1.1
121.10131	2.8
123.08038	1.4
125.09622	1.8
128.06216	1.1
129.06989	1.5
131.08525	3.7
133.06442	0.7
133.10118	4.4
135.08052	2.6
135.11685	2.4
141.06970	0.8
143.08571	1.8
145.10094	3.1
147.08093	0.9
147.11601	3.2
147.80727	0.6
149.09622	2.9
149.13255	1.5
157.10147	1.5
159.11684	2.4
161.09692	1.0
161.13252	1.4
163.11171	2.2
169.10039	0.8
173.13313	0.9
177.12715	1.0
179.14226	1.1
181.10107	0.8
205.26248	0.6
206.44385	0.7
211.14885	0.7
217.15884	0.7
223.13353	1.6
227.12802	1.5
246.23122	0.8
249.14607	0.7
257.19089	1.2
273.18506	5.1
275.20056	11.3
291.19510	14.7
347.22223	1.9
349.23810	6.3
365.23087	4.1
411.14676	0.9
412.15738	0.9
413.15848	1.1
428.18695	1.2
439.13742	1.5
440.14886	1.4
441.15643	2.0
451.14148	1.7
452.15057	0.8
453.15494	2.2
454.16562	4.7
455.17300	3.9
456.17856	1.1
465.15567	1.7
467.12741	4.3
468.14597	1.6
481.14996	3.6
482.16205	2.7
483.16782	2.8
486.16348	1.4
495.11810	0.9
495.17081	2.3
497.14581	1.2
509.14243	0.9
510.15161	5.5
511.15900	7.3
513.17041	0.8
523.16119	7.0
524.17108	1.4
527.15698	1.0
537.17999	1.2
541.17352	2.0
542.17133	0.9
555.14740	0.8
564.18079	0.7
569.20233	3.0
597.19739	7.6
615.20654	4.3
621.41595	1.3
629.22540	1.4
639.42633	7.4
657.21838	100.0
657.39911	3.6
657.43982	3.3
658.22131	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	657.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75998	0.5
55.01876	2.4
55.05509	3.2
57.03430	1.3
58.85320	0.5
64.14558	0.5
67.05496	6.6
69.07070	4.9
71.08627	0.5
71.62778	0.9
77.25259	0.5
79.05489	4.6
81.03407	1.1
81.07043	6.3
83.04972	1.1
83.08604	1.6
91.05457	5.3
93.07031	4.5
95.04957	2.7
95.08589	4.1
97.06509	3.0
97.10144	1.6
105.07047	4.5
107.04943	2.0
107.08578	3.0
109.06517	2.2
109.10143	2.2
111.08047	0.6
117.07015	1.3
119.08566	3.5
121.06485	1.3
121.10140	1.4
123.08022	0.9
125.09599	1.1
129.06998	1.2
131.08569	3.0
133.06400	0.5
133.10115	3.1
135.08090	0.7
135.11740	0.9
137.09654	0.5
143.08560	1.0
145.10112	1.8
147.08073	1.1
147.11665	2.1
149.09596	1.8
155.08516	0.8
157.10118	1.0
159.11716	1.5
161.09569	0.7
161.13264	0.9
163.11183	0.8
169.10214	0.7
173.13152	0.5
177.12756	0.6
179.14322	0.5
223.13252	0.6
227.12764	0.6
247.20761	0.6
257.18988	0.6
273.18579	1.5
275.20007	6.5
291.19571	7.6
293.21191	0.8
347.22244	1.0
349.23654	2.0
365.23206	3.4
367.38779	0.6
398.13947	1.8
400.16620	1.7
412.15253	2.8
413.16074	1.2
416.15005	1.0
418.17749	1.0
425.16489	1.0
426.16995	1.7
427.17770	8.2
428.15884	2.7
440.14746	1.0
444.14041	1.0
445.18625	1.0
446.17188	2.2
455.17142	14.2
457.15445	0.7
458.15872	1.8
459.16736	2.3
469.18964	1.0
470.11841	0.7
471.16629	0.9
473.18277	0.7
482.15137	0.6
483.16669	20.2
484.16653	1.0
487.16107	4.5
495.17001	0.8
499.15735	2.7
509.18127	0.7
510.15112	1.1
511.16135	1.2
513.17474	1.0
519.16553	1.2
523.16290	2.0
524.16992	0.8
527.15594	36.3
528.16022	1.6
537.17889	1.7
538.18347	2.0
539.19110	0.7
541.35327	0.7
542.22089	0.7
568.18372	1.4
570.20721	0.6
586.20850	1.7
613.22852	0.7
614.19690	0.7
629.22394	23.8
630.22180	1.2
639.42554	5.7
657.21838	100.0
657.40613	2.4
657.43695	2.1
658.21930	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	659.234
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
50.99432	0.5
53.03947	0.9
55.01865	2.7
55.05505	4.9
57.03439	1.5
58.46267	0.6
67.05498	9.0
69.03422	1.3
69.07067	5.4
71.04978	1.1
79.05479	9.1
81.03397	1.7
81.07047	16.9
83.04978	1.9
83.08612	3.2
85.06525	0.8
91.05466	7.0
92.05756	0.8
93.07038	7.5
95.04948	3.5
95.08592	5.8
97.06522	3.4
97.10157	2.1
99.08064	1.1
102.00622	0.7
104.89117	0.7
105.07035	7.6
107.04961	2.8
107.08582	5.7
108.08826	0.7
109.06505	3.3
109.10158	3.6
111.08080	0.9
111.33036	0.7
117.07030	3.8
119.08572	6.9
121.06503	1.1
121.10147	2.5
123.08060	0.8
123.11716	0.9
123.53819	0.8
125.09653	1.4
129.06969	0.8
131.08556	3.8
133.10109	4.8
135.08043	1.4
135.11661	1.5
137.09671	0.7
143.08519	1.6
145.10127	2.4
147.11659	3.3
149.09616	2.0
149.13272	1.1
151.11169	1.0
155.08553	0.9
157.10144	1.4
159.11707	2.2
163.11122	1.8
169.10133	0.9
171.11655	1.5
173.09740	1.0
173.13213	1.6
177.12778	1.1
183.11765	0.9
184.07382	0.9
185.13298	1.0
227.12749	0.8
247.20418	1.0
257.19022	1.3
259.20538	1.1
273.18533	1.0
275.20029	11.1
276.20395	0.9
291.19571	2.2
292.19824	0.8
293.21179	1.9
329.34543	0.8
349.23724	4.7
367.24918	1.6
385.13156	1.7
386.14108	1.1
399.14456	2.2
400.15317	5.2
401.15649	1.4
408.12415	1.0
410.14328	0.8
412.15250	1.1
413.15912	2.6
414.16840	3.5
421.13165	1.7
422.13504	3.9
423.14633	4.5
424.15506	1.8
425.16418	1.9
427.17746	1.3
428.14899	0.7
428.18411	1.1
429.19620	3.6
435.14539	3.1
436.15347	4.1
437.16202	11.5
438.16946	2.6
439.18448	0.9
441.15411	0.9
449.16428	1.4
450.17084	3.9
451.18216	6.7
452.18332	2.9
453.15857	1.1
455.17413	1.6
456.17886	1.1
463.14539	0.8
464.14728	2.5
465.15326	3.3
465.19785	3.1
466.16269	1.9
467.17444	3.6
469.14825	3.1
470.15674	0.9
477.15622	1.1
478.16397	3.8
479.17392	4.1
480.17975	5.8
481.14633	2.0
482.16092	1.3
483.16580	3.4
484.16708	3.9
493.19098	10.7
494.15842	3.3
494.20554	1.3
495.16428	4.9
496.17337	3.1
498.15500	2.6
506.16113	1.8
507.16806	2.7
508.17334	7.8
509.18259	5.4
511.19495	2.6
512.16602	8.5
513.16931	1.1
516.23999	1.9
521.18176	13.2
522.15845	4.0
522.18500	3.4
525.21790	1.4
526.14569	1.4
535.15479	0.9
538.18866	1.3
539.19318	2.9
540.19745	4.2
543.22101	3.6
549.18298	2.0
553.20728	17.5
561.38086	1.1
562.21539	0.8
571.22113	5.1
572.22076	4.2
581.20282	41.5
582.20361	2.1
594.23663	1.2
599.21124	19.7
600.21222	4.5
613.22961	22.3
614.22681	1.1
622.22882	6.2
623.43079	3.1
627.21198	1.7
631.23950	4.1
641.22388	100.0
641.43945	3.4
642.22614	5.1
659.23328	33.3
659.41309	4.0
660.23560	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03930	4.0
54.15299	0.8
55.01855	3.9
55.05298	0.9
55.05506	10.5
57.03430	23.4
57.07058	1.6
61.02920	78.5
63.18772	0.8
65.03925	2.9
67.05496	32.8
69.03423	30.3
69.07052	10.5
69.54479	2.0
69.54893	5.8
71.01346	4.2
71.04991	5.7
73.02905	25.5
74.92191	0.9
75.04465	1.6
79.05484	23.8
81.03406	19.6
81.07045	40.1
83.01329	1.2
83.04973	5.6
83.08598	5.4
85.02895	100.0
85.06528	1.5
85.94976	0.8
87.04452	3.3
91.03944	58.0
91.05467	18.1
91.73964	0.9
93.07034	26.9
94.69210	0.8
95.04967	7.4
95.08597	29.2
97.02879	74.4
97.06522	2.8
97.10159	2.7
99.04446	12.8
99.08122	1.0
101.02374	8.3
103.03948	7.1
105.07019	13.6
107.04925	2.1
107.08581	15.2
109.02865	13.0
109.06480	3.5
109.09433	1.3
109.10140	13.7
111.04423	2.7
111.08054	1.6
115.03920	7.4
117.05464	3.3
117.06996	7.2
119.08559	11.9
121.06504	0.9
121.09303	1.2
121.10131	15.3
123.04420	1.0
123.08071	1.1
123.11659	5.1
127.03904	32.5
129.05457	4.7
129.06938	2.0
131.08556	9.6
133.10100	9.1
135.11655	8.3
137.05937	1.1
137.09532	1.4
137.13203	1.9
143.08522	2.5
145.04942	24.2
145.06229	1.1
145.10112	7.9
147.06511	1.1
147.11697	6.4
148.61324	0.8
149.09660	1.8
149.13239	7.9
151.11127	1.4
157.10165	1.8
159.06522	1.8
159.11682	6.3
161.09573	1.0
161.13228	3.4
163.05981	9.6
163.11188	1.0
163.14833	2.7
169.10150	1.8
171.06497	1.0
171.11696	2.0
173.13208	4.8
175.14818	2.1
177.16441	1.2
183.06528	6.0
183.11682	1.4
185.13162	1.6
187.14825	3.0
195.13828	1.2
199.14844	2.0
201.07555	5.3
201.16374	1.0
202.99342	0.9
205.15868	1.3
241.19418	1.2
243.21074	5.2
253.09630	0.8
259.20526	3.3
261.22125	13.9
273.21759	0.8
275.19968	4.1
277.21689	0.8
303.23138	2.1
315.22992	1.5
317.24722	1.1
327.23074	1.7
333.24307	1.7
335.25760	62.0
349.23630	2.3
351.22964	1.3
363.25250	3.0
369.24167	3.7
377.26837	2.0
419.27731	1.1
425.27100	1.2
443.27737	3.9
461.28763	3.3
479.30072	8.6
486.79498	1.3
497.30801	2.4
659.36249	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	659.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.3
55.05469	0.9
56.96558	14.2
57.03384	0.3
60.28838	0.2
61.02865	0.3
62.37606	0.2
67.05493	1.3
69.07037	0.8
70.12784	0.5
70.13176	0.8
71.95255	1.4
72.96008	0.5
74.97591	1.3
77.00862	0.3
77.62831	0.3
79.05439	1.0
81.03373	0.4
81.07027	1.3
83.08577	0.3
84.95987	0.7
91.05425	1.0
92.98602	0.6
93.06996	1.0
95.01868	0.2
95.04925	0.5
95.08572	0.7
97.96751	1.9
98.20874	0.5
98.97549	0.6
105.06969	0.6
107.08546	0.8
109.06478	0.5
110.97546	0.9
111.37792	0.2
115.97820	2.1
116.98574	0.9
117.06890	0.3
119.08532	0.7
121.10112	0.5
123.01115	0.3
127.77650	0.2
128.98596	2.7
131.00095	0.3
133.10042	0.5
133.98804	1.1
134.73312	0.2
134.99651	0.7
141.02179	0.3
141.17189	0.2
143.00070	0.5
145.01698	0.3
145.10130	0.6
146.99625	4.3
147.11629	0.5
148.00394	0.8
149.01146	0.7
149.09554	0.3
149.13152	0.3
149.82323	0.2
151.00517	0.3
151.14450	0.2
152.00119	0.2
153.02084	0.3
155.00066	0.6
155.03706	0.6
157.00523	0.3
157.01677	0.6
160.00415	1.5
161.01176	1.0
161.04791	0.4
165.00716	1.3
167.02377	0.3
167.03696	0.4
168.00940	0.3
169.01689	0.6
170.01189	0.4
171.03247	1.3
172.00414	0.3
173.01184	1.0
173.04807	0.5
174.01903	0.5
175.02713	0.7
175.06387	0.3
179.02318	0.3
179.06091	0.3
181.05379	0.4
183.01855	0.3
183.03337	0.6
183.06990	0.3
184.04138	0.3
185.01163	1.1
185.03326	0.4
185.04808	2.0
185.06477	0.7
185.98309	0.9
187.02734	1.2
187.04404	0.3
187.99966	0.4
189.04269	2.1
190.01404	0.3
190.05048	0.5
191.02293	0.3
193.03786	0.4
195.06900	0.5
198.05597	1.0
199.02776	1.9
199.06409	2.2
201.04329	1.2
201.07930	0.3
202.05026	0.8
203.02170	0.4
203.05864	4.0
203.07622	0.5
205.01756	0.3
205.03809	0.4
205.07379	1.3
208.06340	0.7
211.06305	0.6
212.06039	0.3
213.04372	0.8
213.07939	3.5
215.05878	0.6
216.03012	0.7
216.06621	1.2
217.03888	1.3
217.07416	3.5
219.05144	0.5
220.06117	0.3
221.06711	0.5
221.08557	0.5
223.02744	0.9
223.06361	0.6
223.08391	0.9
223.10194	2.4
224.07112	0.6
225.04312	0.5
225.07996	1.4
226.05238	0.5
226.08736	0.6
227.05861	1.4
227.09459	0.6
229.07471	0.6
231.05312	0.8
231.08971	5.5
232.02414	0.3
233.08463	0.3
236.09557	0.6
237.04369	1.7
237.07997	0.6
238.04961	0.3
239.09544	5.0
241.03905	0.6
241.07164	0.7
241.11079	29.2
242.08209	3.1
242.10945	0.5
243.08932	1.0
243.14439	1.3
244.06242	0.3
244.09775	0.9
245.06976	1.0
245.10558	0.9
249.07925	0.5
251.05959	0.4
251.09456	1.1
253.11092	2.2
255.05362	1.4
255.09006	1.9
256.09595	0.3
257.10529	4.6
259.12143	46.7
260.06604	0.4
260.09259	2.3
260.12430	0.9
261.12521	0.3
261.15314	0.6
262.11115	0.8
264.12650	4.5
265.09952	0.5
267.09003	2.7
269.07333	0.6
269.10571	4.8
270.11197	0.4
271.12158	1.7
273.10013	1.1
275.19931	0.9
277.13287	0.5
279.09030	2.9
280.09738	3.2
280.12405	0.5
281.10416	0.4
282.13736	4.7
285.10172	1.6
287.11615	2.1
289.14621	0.7
290.10638	0.6
292.12213	0.7
297.10065	6.5
298.10828	4.9
299.11539	0.8
302.10391	0.5
303.11313	0.4
307.15753	2.8
312.08722	0.5
315.11215	1.3
316.11856	3.4
320.11688	1.2
321.12341	0.9
325.16772	1.2
330.17749	0.3
331.15695	8.9
333.19214	0.6
349.16791	55.3
350.17114	1.1
351.20105	3.5
367.17871	100.0
368.18198	2.2
372.18417	4.9
374.21594	1.1
381.19675	0.3
385.18896	7.4
390.19464	24.2
391.19681	1.3
393.85849	0.3
408.20557	0.6
463.30621	0.3
641.36212	1.2
659.38190	58.6
660.38477	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	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68233	0.2
55.05466	0.5
56.96501	10.5
56.96811	0.9
67.05434	0.9
69.07017	0.4
70.20409	0.8
71.95248	0.9
72.96016	0.2
74.97559	0.4
79.05469	1.0
81.03362	0.2
81.07052	1.0
83.08564	0.3
84.95970	0.3
91.05412	0.5
92.98592	0.3
93.06954	0.6
95.04881	0.3
95.08545	0.6
97.96782	0.2
98.97494	0.5
105.06976	0.5
107.08498	0.7
109.10102	0.2
110.97539	0.6
115.97746	0.2
116.98518	0.7
116.99298	0.2
117.06945	0.3
119.08522	0.5
119.84657	0.2
121.10072	0.3
123.01145	0.4
128.98582	2.1
131.08490	0.4
133.01697	0.3
133.10085	0.5
134.99567	0.9
135.11572	0.3
139.00587	0.3
141.02200	0.3
145.01674	0.4
146.99625	3.7
147.03252	0.5
149.01195	0.9
153.02142	0.4
155.03702	0.6
157.01695	0.2
159.03220	0.6
161.01216	1.3
163.02699	0.5
165.00633	0.8
165.01942	0.2
167.02249	0.2
167.03693	0.5
169.01662	0.4
169.05290	0.2
170.01160	0.4
171.02197	0.2
171.03287	1.6
173.04782	0.6
175.02721	0.5
177.04317	0.3
179.02155	0.6
183.03181	0.6
183.06767	0.4
184.00339	0.3
184.03996	0.3
184.07269	0.2
185.04839	2.1
187.02660	0.6
187.06314	0.4
189.04317	2.0
191.05817	0.7
193.03787	0.4
195.06859	0.3
195.13638	0.2
197.04785	0.3
197.08366	0.3
199.06390	1.9
201.04233	0.7
201.07875	0.9
202.01469	0.3
202.05144	0.2
203.05876	5.0
205.05508	0.3
205.07385	1.6
207.05244	0.4
207.07016	0.3
209.04927	0.3
209.06818	0.3
210.02055	0.3
211.02766	0.2
211.06386	1.1
212.05939	0.3
213.07909	2.1
215.05864	0.5
215.09514	0.5
217.05527	0.3
217.07420	2.9
219.08862	0.3
221.06749	0.5
221.08652	0.4
222.07899	0.3
223.02869	0.9
223.06380	0.5
223.08400	2.4
224.03365	0.3
225.04286	0.5
225.07921	1.5
226.05054	0.5
226.07423	0.5
227.05931	0.4
227.09395	0.5
229.07469	2.0
229.10966	0.3
231.07013	0.3
231.09018	2.7
236.09654	0.3
237.04314	3.0
237.07855	1.0
238.05016	0.3
239.09566	2.2
240.09047	0.2
241.07344	0.5
243.05273	0.2
243.09067	1.7
245.10558	0.6
246.07849	0.2
247.08441	0.9
249.07903	0.3
251.05875	0.5
251.09412	0.7
252.06612	0.3
252.09053	0.2
253.11003	0.6
255.05408	1.7
255.08997	4.9
257.10617	1.4
261.10056	0.5
262.08603	0.3
263.09592	0.4
265.07291	0.6
265.11081	0.2
267.09030	2.1
269.10577	3.4
269.17383	0.4
271.12149	0.3
273.10046	2.8
275.20029	0.3
277.11087	0.4
278.10538	0.6
279.08936	0.9
280.09705	1.6
281.10550	1.3
285.10080	2.3
287.11569	2.1
289.14706	0.3
290.10541	0.4
292.12128	0.7
293.10406	0.8
293.13467	0.2
295.12027	0.4
297.10098	0.5
297.13684	0.2
298.10574	0.9
299.11673	1.0
303.11221	0.5
305.14136	0.3
305.17664	0.2
307.15799	0.5
311.11502	0.8
313.14719	0.3
321.17328	0.3
323.18964	0.4
331.15747	26.2
332.16132	0.4
349.16812	100.0
350.13779	0.2
350.17261	2.0
367.17883	39.0
368.18292	0.7
372.18414	6.8
373.18747	0.3
385.18988	0.5
390.19479	16.6
391.19608	0.7
463.30563	1.3
468.94556	0.2
523.36108	0.2
561.30817	0.3
561.38293	0.2
588.19055	0.2
641.37518	0.9
659.38251	24.0
660.38177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05700	0.4
55.05457	0.5
55.44075	0.5
56.96559	37.2
67.05468	1.2
69.07027	0.8
69.44617	4.3
71.95257	2.4
72.95995	1.3
74.97572	1.3
79.05453	1.0
80.77425	0.4
81.07021	0.9
84.95983	0.9
91.05466	0.6
92.98605	0.9
97.96820	0.8
98.21435	1.1
98.97536	0.7
107.08578	0.5
109.10076	0.5
110.97557	1.2
115.00668	1.4
116.98564	0.8
123.01143	1.4
128.98602	2.6
133.01706	1.2
133.10054	0.6
134.99525	0.6
137.02650	1.4
139.00616	1.0
141.02168	1.3
145.01665	0.7
146.99611	3.8
147.03253	1.1
153.02211	1.1
155.03749	2.5
157.01654	1.5
159.03238	1.6
161.01199	1.1
161.04793	0.6
165.00670	0.7
165.04259	0.5
167.03784	1.2
167.97253	0.5
169.01633	1.6
171.03273	6.1
173.04814	1.9
175.02742	1.0
181.05254	1.1
183.03224	1.3
183.04814	0.5
183.06883	0.7
185.04828	5.8
187.02759	1.4
187.06369	0.9
189.04324	9.5
191.05882	1.0
193.05319	1.2
194.04871	0.9
195.06902	1.8
197.04788	1.8
199.02631	0.6
199.06403	6.7
201.04271	1.5
201.07904	0.6
203.03932	0.6
203.05893	11.3
205.07370	0.9
207.05244	1.1
207.06940	1.2
208.06392	0.8
209.04797	1.5
209.08551	0.9
211.06427	4.3
212.06015	0.7
213.06029	0.8
213.07953	9.1
215.05853	1.4
215.09615	0.7
217.07446	16.3
219.07022	0.6
221.06918	2.0
221.08705	0.8
222.08014	0.8
223.02956	0.6
223.06390	1.1
223.10144	0.8
225.07973	6.6
227.05806	1.5
227.09505	3.7
229.07434	3.2
231.06891	2.0
231.08998	13.6
236.09520	1.2
237.04265	1.7
237.08009	3.8
239.09532	6.2
240.09093	1.6
241.07454	0.7
241.11151	1.4
243.09009	6.7
243.12654	0.6
245.10539	5.0
248.09476	0.7
249.07822	5.3
251.05896	0.6
251.06808	0.7
251.09511	8.7
253.07393	0.7
253.11043	0.8
254.10620	1.1
255.09012	26.2
257.10571	3.7
259.12152	0.9
262.08713	0.9
263.09467	0.7
265.07391	0.5
265.11008	0.6
267.09000	38.9
268.09335	0.7
269.10568	64.1
270.10828	0.8
272.09576	0.6
273.10068	20.5
274.10645	0.5
278.10577	4.2
279.08844	2.5
280.09662	1.6
281.10422	0.7
283.08627	0.5
285.10059	56.2
286.10397	1.3
287.11624	29.9
288.12219	0.5
290.10614	4.0
292.12167	8.9
296.11746	1.8
297.10330	1.0
297.13434	0.7
303.11099	6.6
307.15671	1.2
308.11639	6.9
309.13940	0.7
310.13351	2.9
313.14719	0.9
331.15775	10.4
349.16812	38.2
350.17093	1.0
367.17877	100.0
368.18130	1.7
372.18533	3.3
385.18930	11.0
390.14426	0.9
390.19482	18.1
391.19873	0.9
408.20822	0.6
450.56210	0.6
463.23325	1.1
547.29541	1.6
561.30896	10.3
577.30389	0.9
641.36987	1.3
659.38202	59.2
660.38263	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.9
55.05470	1.8
56.96559	36.5
57.03410	0.8
60.56730	0.5
62.64013	0.5
67.05502	4.1
69.03396	1.0
69.07055	2.5
71.04948	0.5
71.06448	1.1
71.95215	1.7
72.96006	1.2
74.97551	1.3
79.05493	2.7
79.57594	0.7
81.03366	1.5
81.07056	5.0
83.04939	1.1
83.08572	1.1
84.96011	0.6
85.02890	1.3
91.05466	3.3
92.98589	0.5
93.07063	3.3
95.04910	1.1
95.08596	3.1
97.06485	0.9
104.15954	0.5
105.06999	3.0
107.04920	0.9
107.08536	2.2
109.06529	0.6
109.10109	1.9
110.97565	0.8
111.04453	0.5
111.08042	1.0
116.98621	0.5
117.06967	1.0
119.08569	2.8
121.10090	2.0
123.01170	1.2
123.08063	0.9
123.11598	0.8
128.98558	1.9
131.08530	1.5
132.99467	0.5
133.01675	1.5
133.10068	1.8
134.99678	0.6
135.11584	1.1
137.02699	1.2
141.02162	1.1
143.08513	0.6
145.01669	0.9
145.10060	1.3
146.99623	4.2
147.03264	0.7
147.11632	1.8
149.01210	0.6
149.09586	1.2
150.13437	0.5
151.11087	0.6
153.02130	0.7
155.03757	2.2
157.01764	1.1
157.10051	0.8
158.37915	0.5
159.03226	1.9
159.11647	0.8
161.01221	0.5
163.11078	0.7
165.00685	1.0
167.03732	1.4
169.01677	1.0
169.05338	0.9
171.03255	4.4
173.04816	1.6
175.02782	0.8
177.04341	0.9
179.14296	1.1
181.05305	1.2
183.03148	0.6
183.06903	1.0
185.04884	4.8
187.02739	0.7
187.06386	1.3
187.14842	0.8
189.04340	6.5
189.07533	0.5
189.16368	0.6
191.05774	0.8
193.05324	0.6
193.12231	0.9
195.05264	0.7
195.06844	2.8
197.04767	1.4
197.08504	0.7
199.06422	6.8
201.04245	1.2
203.05884	9.4
203.15350	5.6
203.18037	0.9
205.07430	1.1
207.05276	0.8
207.07011	1.1
209.04845	0.9
211.06380	3.3
213.07964	15.4
215.05910	1.0
217.07466	14.9
221.06885	1.5
221.08661	1.1
222.08043	0.9
223.06387	1.3
223.10117	1.2
225.07973	8.7
226.07309	0.6
227.05966	0.8
227.09474	2.7
229.07417	3.1
231.06970	1.9
231.09009	26.5
235.06284	0.6
235.08406	0.8
236.09531	2.1
237.04356	0.7
237.07907	3.9
239.09554	7.9
240.09018	1.4
241.07501	0.9
241.11057	2.0
243.08990	7.7
245.10576	4.6
246.47879	0.5
247.20547	1.0
248.09465	1.1
249.07843	4.5
251.05888	0.7
251.06381	0.7
251.09491	13.4
253.07576	0.7
254.10588	1.8
255.06287	1.1
255.09019	23.5
257.10648	5.5
259.12170	1.6
261.21967	1.1
262.08630	0.8
263.09351	0.8
266.10638	0.7
267.09003	27.6
267.15750	0.9
268.09375	0.8
269.10571	100.0
270.11029	2.7
272.09824	0.5
273.10052	18.0
274.10654	0.8
275.20056	2.5
277.11572	0.5
277.21613	0.7
278.10596	4.7
279.09094	1.7
280.09692	1.0
281.10675	1.0
285.10065	46.5
286.10364	1.3
287.11624	44.4
288.11975	0.9
290.10611	4.6
292.12158	19.0
293.12509	1.2
296.11621	1.5
297.10019	0.9
298.10623	0.7
303.11148	5.7
307.15744	0.9
308.11652	7.4
310.13168	5.2
321.17270	0.5
326.13171	0.7
331.15799	8.1
333.14801	0.8
349.16821	28.9
349.23480	0.9
350.17297	1.1
367.17880	85.5
368.18210	4.3
372.18362	3.9
385.18991	13.4
386.19235	0.6
390.19492	24.6
391.19778	1.8
405.30075	0.6
408.20279	1.1
462.29382	1.0
463.23691	4.1
463.30438	1.5
479.23297	0.7
543.37268	0.8
547.29315	1.5
561.30841	17.6
561.37860	1.5
562.31519	1.4
577.30420	1.7
641.36853	1.3
659.38202	66.0
660.38751	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	660.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01860	0.6
55.05506	5.5
56.81833	0.3
56.96570	0.3
57.03432	3.7
57.07057	0.7
59.20683	0.3
61.02926	2.5
65.03934	0.6
67.05498	23.6
69.03413	0.8
69.07061	7.8
71.01345	0.3
71.04997	1.8
71.08649	0.3
71.63610	0.5
73.02901	0.6
79.05483	13.7
79.05951	0.7
81.03421	1.8
81.07047	32.5
83.04980	2.7
83.08607	7.0
85.02895	2.4
85.06512	1.8
91.03960	1.4
91.05473	10.1
93.07034	21.1
94.07332	0.5
95.04948	2.7
95.08598	9.1
97.02876	1.5
97.06517	4.7
97.10152	1.2
99.04453	0.4
99.08082	1.3
105.07021	5.5
107.04963	0.8
107.08582	13.0
109.06499	1.3
109.10130	2.1
111.08075	2.1
111.11770	0.3
112.21573	0.3
113.05958	0.3
115.05476	0.4
117.06992	4.9
119.08561	2.9
121.06496	1.2
121.10120	7.3
123.08029	0.4
123.11689	2.1
127.03882	0.5
127.07546	0.3
129.06993	1.5
131.08549	5.9
133.10106	6.1
135.08076	1.0
135.11665	4.8
137.09698	0.5
139.11168	0.5
141.06976	0.7
143.08572	1.7
145.04886	0.3
145.10107	2.1
147.11668	1.2
149.09605	0.7
149.13240	11.0
151.11208	0.6
155.08511	0.7
157.10149	1.0
159.11679	5.6
161.13420	0.3
165.12723	0.4
167.08582	0.3
169.10138	0.6
171.11713	0.7
173.13324	0.5
177.12727	2.7
181.10017	0.3
183.11679	0.4
184.07364	0.3
185.13226	0.5
195.11899	0.5
195.13776	6.6
197.13229	0.4
199.14772	0.3
213.14780	0.8
213.88774	0.4
217.15825	0.5
223.14821	0.3
229.14297	0.6
251.16371	2.0
269.17456	25.5
275.20294	0.3
276.20499	0.3
291.19598	0.4
297.16837	0.4
335.23645	0.4
343.26511	0.3
349.16458	0.3
353.24646	2.0
371.25854	1.4
389.26810	1.0
413.21976	0.5
427.28412	0.7
445.29471	13.6
446.29901	0.5
447.87210	0.3
463.30508	100.0
464.30765	3.8
481.31607	1.2
545.11853	0.3
607.34814	2.9
684.80573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36227	0.4
53.03915	1.0
55.01863	0.7
55.05504	6.0
56.96534	0.5
57.03431	6.1
57.07039	1.5
61.02916	1.8
65.03888	1.3
67.05495	31.6
68.05792	0.6
69.03379	1.2
69.07063	11.0
69.38256	0.4
69.92951	2.3
71.04985	2.4
71.08588	0.5
73.02869	0.5
75.98421	0.3
79.05482	16.2
81.03408	1.8
81.07047	39.4
82.07343	0.7
82.23529	0.3
83.04970	3.8
83.08610	7.3
85.02898	2.4
85.06496	1.7
91.03893	1.1
91.05472	8.6
91.79541	0.3
93.07030	30.8
94.07325	0.7
95.04953	3.0
95.08598	12.3
97.02844	1.0
97.06519	6.2
97.10120	1.1
98.98405	0.5
99.08085	1.8
104.60862	0.4
105.07023	4.5
107.04905	0.6
107.08582	17.5
108.08900	0.4
109.06503	1.8
109.10158	2.2
111.08063	3.5
111.11688	0.5
113.09616	0.5
117.06329	0.6
117.07011	4.8
119.08547	2.1
121.06477	0.7
121.09325	0.6
121.10131	11.2
123.08067	0.5
123.11671	2.1
124.73311	0.4
125.09579	0.6
127.03847	0.6
131.08548	5.5
133.10112	5.1
135.08011	1.6
135.11668	5.2
137.67513	0.5
139.11108	1.1
143.35701	0.4
147.11644	1.6
149.09584	0.5
149.13243	18.3
151.11118	1.0
153.09068	0.4
155.00954	0.5
157.10153	0.5
159.11681	7.0
160.12079	0.4
165.12686	0.5
167.14195	0.4
177.12737	4.1
195.13774	6.2
213.14790	1.4
251.16328	0.8
269.17444	51.8
270.17719	1.1
275.20038	0.7
276.20413	0.7
285.09991	0.6
335.25742	5.8
350.23907	0.7
367.18140	0.5
369.19095	0.4
454.78644	0.4
463.30502	100.0
464.30701	3.0
609.25983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51704	0.4
53.03932	1.4
55.01859	1.8
55.05507	7.0
56.96550	0.7
57.03435	6.8
57.07064	1.1
61.02918	1.7
65.03919	1.4
66.88066	0.4
67.05498	34.6
69.03414	1.1
69.06709	0.8
69.07061	11.7
69.76639	3.1
71.04990	2.7
71.57783	0.4
73.02901	0.9
79.05484	17.9
81.03424	2.6
81.07047	40.8
82.07385	0.6
83.04987	3.9
83.08614	9.0
85.02876	2.1
85.06532	2.6
91.03928	0.8
91.05474	9.9
93.07034	35.0
95.04961	3.4
95.08595	10.6
97.02882	1.3
97.06522	6.2
97.10168	1.6
99.04430	0.8
99.08077	1.6
99.95267	0.5
105.07017	4.6
107.04950	0.8
107.08579	18.6
109.02850	0.5
109.06512	1.9
109.10153	2.8
110.97440	0.4
111.08065	3.9
113.09615	0.7
117.07001	4.8
119.08577	1.7
121.06479	1.0
121.10133	10.5
123.11710	1.3
125.09628	0.8
127.03956	0.5
128.29834	0.4
131.08562	5.5
132.08876	0.5
133.10114	5.7
135.07985	1.0
135.11676	5.3
139.11197	1.3
144.09267	0.4
145.10094	0.5
147.11702	1.1
149.09639	1.0
149.13242	18.6
150.13564	0.7
151.11142	1.0
155.01044	0.5
159.11671	9.3
167.14349	0.4
177.12761	3.6
195.13773	6.6
200.58987	0.5
205.95683	0.5
206.65860	0.4
213.14862	0.9
251.16684	0.4
269.17450	53.8
270.17816	1.1
275.19797	0.7
335.25739	6.4
367.17862	0.6
374.38538	0.5
445.29181	0.7
463.30518	100.0
464.31082	2.8
642.43695	0.6
661.40356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.9
58.27456	1.0
69.03427	2.0
69.99486	5.2
71.04980	1.0
81.03361	1.1
82.99879	1.3
85.02899	3.4
85.62888	1.0
97.02890	2.4
98.97572	4.0
101.00895	4.5
116.98596	2.2
119.01915	22.9
119.02634	0.8
121.03487	1.1
127.02459	1.8
127.03920	2.0
127.59987	1.0
128.98610	1.2
129.03954	1.3
131.01869	7.6
133.03453	3.3
134.99631	1.6
137.02934	4.4
143.01888	19.6
145.03459	15.9
146.99672	1.6
147.01360	1.5
147.05031	3.8
149.01138	1.8
149.02940	1.7
155.01891	14.9
157.03474	12.1
158.99599	2.1
159.05016	1.7
161.02946	37.1
163.04524	3.0
165.06146	1.7
167.01930	4.4
169.03430	7.6
171.04996	20.1
173.02943	36.9
173.06500	6.3
174.03136	1.4
175.02812	3.0
175.04523	10.7
177.00693	3.2
179.01907	1.8
181.03412	2.9
182.23520	1.0
183.05016	12.3
184.04466	1.4
185.02943	33.3
185.06546	6.8
186.03110	0.9
187.04517	11.5
189.06081	11.7
191.04022	3.4
193.03624	2.1
195.05014	2.1
197.02959	12.6
197.06569	2.2
199.04480	8.5
201.00719	2.2
201.06047	13.9
203.02257	0.9
203.03989	24.1
203.07666	2.0
205.05487	1.4
207.05016	2.0
209.02959	2.7
211.04576	3.8
213.06059	7.8
215.03999	10.3
215.07655	2.4
217.03757	3.4
217.05592	5.6
219.01767	2.7
221.05043	40.9
223.04520	1.7
224.71198	1.1
225.06015	6.7
227.04042	9.1
229.05577	8.2
231.07047	5.3
235.04607	1.7
235.06671	1.4
237.02843	2.6
237.06186	1.5
239.04024	2.1
239.06204	2.6
241.05585	3.1
243.07065	2.0
244.06709	1.3
245.05045	90.7
246.05359	3.4
247.06668	26.6
248.06880	1.3
253.05446	1.0
255.07213	4.0
257.05057	12.3
258.05664	1.4
259.06631	25.5
261.02777	2.4
261.08347	1.5
263.06125	17.2
271.06473	2.0
272.06537	1.3
273.08167	93.4
274.08368	3.2
275.06128	14.9
277.07651	3.8
283.06641	2.7
286.07779	1.9
289.07687	2.9
291.09210	53.4
292.09485	1.8
293.07184	11.0
301.07666	11.8
305.07202	12.0
307.08807	6.5
314.10757	1.9
319.08853	54.5
320.08899	2.2
333.10358	2.6
335.08148	3.4
337.09811	100.0
338.09952	4.1
342.10242	1.2
342.72876	1.1
347.08032	1.7
349.09708	3.5
360.11490	6.3
361.09619	3.7
362.09686	1.7
362.59805	2.1
365.09204	12.9
379.10843	58.7
380.10919	2.2
391.10870	7.7
407.10214	2.8
409.11899	20.8
421.12018	1.3
425.11307	2.9
439.12936	20.5
441.09103	1.4
451.12814	2.4
463.12982	4.9
481.07904	1.6
481.14066	17.1
496.79138	1.0
499.15054	33.9
500.15100	1.7
571.17157	1.5
655.13312	1.1
661.20093	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	661.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01854	5.9
55.05280	1.8
55.05502	14.0
57.03430	25.2
57.07059	4.2
61.02920	74.2
67.05497	46.8
69.03064	2.2
69.03423	33.2
69.06707	1.8
69.07059	19.5
69.38689	8.1
69.39120	5.4
69.42656	1.5
71.01347	3.9
71.04969	6.0
71.08626	3.2
73.02912	26.6
75.04460	2.2
75.29922	1.1
79.05482	18.0
81.02966	2.0
81.03414	28.7
81.07048	54.7
83.04969	5.4
83.08608	11.5
85.02894	100.0
85.06512	1.9
85.10162	1.8
87.04447	3.8
91.03946	65.1
91.05464	15.2
93.07029	19.4
94.01645	1.5
95.04950	5.2
95.08039	2.5
95.08598	38.6
97.02879	78.4
97.06506	5.6
97.10159	7.6
99.04441	14.3
99.08061	2.1
101.02371	6.8
103.03935	11.4
105.07021	10.7
106.07357	1.3
107.08569	13.6
109.02874	14.8
109.06497	2.0
109.10146	21.8
111.04432	3.1
111.08060	3.6
111.11743	1.9
115.03896	7.8
117.05474	4.3
117.06950	1.6
119.08565	10.3
121.10105	11.8
123.11718	8.2
125.09629	2.0
127.03904	34.7
127.11156	1.7
129.05489	7.6
129.06973	2.0
131.08519	4.5
133.10098	11.0
135.08022	1.7
135.11668	6.2
137.09576	2.6
137.13235	3.8
139.11095	1.2
143.08516	2.4
145.04947	23.2
145.10115	3.6
147.11668	5.0
149.13187	7.1
151.11053	1.8
151.14748	2.5
151.19725	1.3
153.12717	1.3
157.10030	1.6
159.06522	4.0
159.11664	2.6
161.13213	5.5
163.05963	7.9
163.11246	1.9
163.14766	5.4
165.12756	1.8
165.16321	3.6
169.10063	1.7
171.06506	2.5
175.14790	5.3
177.16345	1.8
183.06497	13.2
187.14781	2.0
189.16399	3.2
199.14845	2.7
201.07507	11.0
213.12784	1.5
225.16336	1.4
245.22656	11.9
256.42065	1.5
259.03259	1.5
261.22018	3.2
263.23688	24.0
275.20004	2.6
276.20392	1.4
293.24902	1.4
305.24454	3.1
315.23203	1.7
329.24753	2.6
335.25995	8.4
337.27322	92.7
338.27612	2.8
343.26431	1.6
353.24768	2.8
365.26901	5.6
371.25684	3.0
379.28259	2.9
389.27179	2.7
391.28522	1.5
407.27838	3.1
445.29443	4.7
463.30563	6.9
481.31659	16.8
499.32385	4.5
643.44379	1.8
661.37274	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	662.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01388	0.6
53.03913	2.3
55.01842	2.3
55.05505	15.8
57.03433	19.0
57.07037	1.2
60.44549	0.6
61.02919	3.3
65.03905	1.8
67.05498	43.1
69.03421	3.8
69.07063	12.9
69.45254	5.2
69.45667	1.3
71.01320	3.0
71.04982	4.5
73.02901	1.3
79.05483	42.3
81.03407	45.2
81.07046	29.9
83.04972	15.0
83.08612	18.7
85.02430	1.1
85.02895	17.9
85.06529	3.5
86.09668	1.9
91.03928	1.8
91.05470	28.6
93.07032	47.4
95.04362	1.0
95.04960	18.7
95.08596	11.0
96.89461	0.7
97.02866	3.7
97.05994	0.8
97.06532	10.5
97.09605	1.0
97.10160	11.4
98.20866	1.6
99.04427	1.4
99.08074	2.2
105.07016	18.4
107.04967	7.0
107.08581	31.5
107.53477	0.6
108.19769	0.6
109.02829	0.6
109.06526	4.7
109.10143	6.0
111.04437	1.5
111.07466	0.7
111.08081	8.4
113.05959	2.2
115.05406	1.0
115.48076	0.6
117.07011	4.9
119.07786	1.1
119.08567	16.5
121.06485	1.9
121.10128	10.8
123.08018	1.6
123.11686	1.4
124.99985	1.3
125.09603	2.7
127.07485	0.8
129.06979	5.9
130.07765	0.7
131.08548	7.6
133.06477	1.7
133.10112	9.3
135.08000	1.6
135.11678	43.9
136.11995	0.6
137.09567	3.0
142.07729	1.4
143.08504	0.8
145.10100	8.6
147.08041	1.5
147.11665	10.0
149.09592	4.6
153.12772	1.3
155.08546	0.8
157.10106	10.9
161.09631	0.8
163.11180	6.7
165.12709	1.9
167.16237	0.6
175.11159	9.0
181.12241	8.8
184.07358	6.9
193.12221	26.7
199.13213	1.2
211.13268	33.2
216.04340	0.7
249.14882	1.3
255.15883	98.5
256.16132	0.9
267.15869	20.9
285.16940	25.1
291.19501	0.9
328.13998	0.7
383.19760	1.5
401.20911	1.5
421.25943	2.1
429.29959	4.1
447.27310	40.0
448.27972	1.6
465.28427	100.0
466.28867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50608	0.7
56.96547	1.0
62.37590	0.7
69.03424	1.5
69.55170	6.8
81.03416	1.0
82.09443	0.7
82.16448	0.7
82.99854	1.3
85.02898	3.5
89.03897	0.8
97.02899	2.6
98.97583	1.8
101.00842	4.6
109.02841	1.8
110.97545	0.8
113.00918	1.2
115.02442	1.1
116.98634	2.2
119.01909	20.6
121.01661	1.5
127.02427	1.3
127.03909	1.4
128.98615	1.1
131.01880	6.5
131.04955	0.7
133.00745	0.8
133.01750	0.9
133.03473	5.0
135.04407	3.7
137.01982	1.3
137.02917	4.6
139.02515	0.8
139.03860	0.9
142.03464	1.2
143.01886	17.2
145.01675	1.6
145.03526	10.0
145.04570	1.2
145.04958	0.8
146.99678	0.9
147.01393	2.1
147.03268	1.1
147.04370	0.7
147.05037	1.6
149.01122	1.1
149.02943	1.8
151.04532	1.0
155.01869	13.1
157.01617	1.2
157.03442	7.6
159.05034	3.0
161.02943	26.9
162.03046	1.0
163.03873	43.3
164.04341	0.9
167.01895	6.2
167.50885	0.8
169.03484	3.4
171.04959	4.0
173.02950	26.4
173.04488	1.5
174.03023	0.9
175.02759	3.1
175.04517	3.7
176.04779	0.7
177.00772	1.3
177.02463	1.6
177.04291	0.9
177.06036	2.2
179.01935	2.5
183.05040	2.7
185.01242	1.3
185.02946	41.3
186.03134	1.5
187.02844	1.4
187.04539	5.7
188.04585	0.9
189.00749	1.6
189.02513	0.9
189.04283	1.8
189.06094	3.0
191.04031	1.3
193.03444	1.2
195.05383	0.8
195.07153	2.6
196.04633	1.6
197.02940	16.5
197.04750	1.2
199.04568	2.2
201.00716	0.9
201.02460	1.5
201.04320	1.4
201.06145	2.0
203.01949	3.3
203.04042	12.5
203.05890	0.8
205.01947	1.8
205.03758	2.1
205.05589	0.9
207.05077	3.1
208.04402	1.0
209.02980	2.0
211.02806	1.4
211.04590	1.7
213.06178	1.4
215.03992	8.4
217.03638	2.1
217.05623	1.4
218.04195	1.1
219.01773	2.0
219.05188	1.3
219.07091	11.5
221.02965	50.0
221.05064	8.3
223.04799	2.6
225.06158	1.9
227.03979	6.9
231.03511	1.4
231.07164	14.1
233.05130	1.5
233.08733	3.5
235.04523	3.1
237.02754	1.8
239.03987	15.3
244.04565	2.0
245.02899	8.0
245.05061	92.1
246.05232	4.5
247.04669	8.3
249.06485	1.0
253.05661	1.7
255.07156	3.8
257.05017	10.3
259.04260	3.6
259.06906	1.6
261.02368	7.1
261.06403	1.5
263.04004	26.5
263.06262	8.8
265.06094	1.0
273.08270	5.7
274.08344	1.4
275.03799	2.0
275.06015	7.1
275.08530	1.8
277.05524	6.4
279.03464	14.7
281.04984	26.8
284.06799	1.6
286.05222	1.9
286.08084	1.0
287.25165	0.8
292.05719	1.0
293.07092	2.3
295.06601	5.6
299.06332	6.5
303.03235	1.5
304.06589	1.7
305.07407	8.3
311.06052	2.9
316.09290	0.9
317.04971	1.3
320.09116	1.1
321.04791	14.2
321.10321	100.0
322.10455	1.1
323.06079	4.5
335.08182	3.1
337.09448	1.0
338.10144	0.8
339.05795	8.6
339.11523	9.9
347.05905	4.3
353.07098	1.4
357.06613	1.7
362.13544	1.0
363.05692	7.8
365.07419	10.3
365.59390	1.1
367.09283	1.7
375.05576	1.2
381.06693	31.5
381.12302	25.5
382.07016	1.2
383.08157	9.3
393.06790	8.0
393.11841	1.4
399.07666	4.3
404.08023	1.1
407.08188	4.2
411.07846	3.4
411.13272	2.7
423.07834	3.3
425.09448	2.1
437.09390	2.5
441.08923	4.8
441.13794	1.4
447.07712	4.2
465.08722	8.4
471.13516	1.0
483.09396	6.2
501.10898	3.5
527.12616	2.3
545.13440	5.9
627.14111	1.4
645.15186	0.8
663.16113	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	663.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
54.62117	0.7
55.01864	1.1
55.05251	0.9
55.05503	9.7
57.03416	3.2
57.07071	4.5
59.04988	2.5
65.03934	1.3
67.05497	14.4
69.03410	5.1
69.06705	1.4
69.07061	17.9
69.60506	2.7
69.60931	4.1
71.01337	4.8
71.04981	1.1
73.02599	0.8
73.02911	8.4
77.03919	1.2
79.05486	12.6
79.95279	0.9
81.07052	31.1
83.01329	1.1
83.04982	6.6
83.08614	5.8
85.02412	1.6
85.02897	19.9
85.06533	1.6
86.09705	1.2
91.05465	22.4
93.07035	32.4
95.01338	4.6
95.04969	7.2
95.08598	43.1
97.02873	2.0
97.06512	6.4
97.10160	2.3
98.21455	1.8
99.00817	1.0
101.02366	2.2
103.03906	1.8
103.05418	2.3
105.03368	2.6
105.07023	40.3
107.04903	1.6
107.08585	47.9
109.06515	5.2
109.10146	27.1
111.08067	2.9
113.02366	6.7
115.05412	1.5
116.06229	1.5
117.07030	9.3
119.04937	1.2
119.08571	48.6
121.06505	7.8
121.10130	34.2
123.08062	7.1
123.11693	16.9
125.09586	1.4
128.06198	5.2
129.06998	7.9
130.07776	3.3
131.03401	4.9
131.04900	1.5
131.07558	1.6
131.08554	31.9
133.06502	4.7
133.10120	46.7
135.08063	8.8
135.11681	31.7
137.05980	2.4
137.09583	2.7
137.13254	5.9
137.54869	0.8
139.11182	1.4
141.01817	10.3
141.06976	3.2
142.07759	5.2
143.08551	15.7
144.09326	2.7
145.06456	7.2
145.10109	67.2
146.07225	4.0
147.04300	1.2
147.08037	19.7
147.11674	22.1
149.05943	2.5
149.09604	14.8
149.13251	11.8
151.07500	4.1
151.11154	1.9
151.14729	1.0
153.07034	1.6
155.08565	9.5
156.09323	5.7
157.06436	2.1
157.10110	17.9
158.07277	2.2
158.10867	2.9
159.02850	1.7
159.08052	22.4
159.11668	27.2
160.08684	1.2
160.12527	1.1
161.05980	2.4
161.09616	38.5
161.13245	15.7
163.03926	1.4
163.07536	6.9
163.11150	3.4
163.14798	8.1
165.06969	1.6
165.09119	10.9
165.12697	1.5
167.08536	3.9
168.09317	2.3
169.06444	1.0
169.08679	1.9
169.10086	10.9
170.10892	4.6
171.08017	3.8
171.11667	15.1
172.08806	3.2
172.12363	1.8
173.05942	1.8
173.09598	17.9
173.13246	14.0
174.10440	0.9
175.07530	7.8
175.11197	5.9
175.14832	11.5
177.09079	6.7
177.12727	3.2
177.16380	3.2
179.07004	1.1
179.08440	2.1
179.10625	2.8
179.14203	1.2
180.09344	2.0
181.10071	5.4
181.12021	1.2
182.10898	6.4
183.07991	4.2
183.11684	10.5
184.07317	1.4
184.08820	1.1
184.12456	1.4
185.09659	5.4
185.13222	12.9
186.10338	2.7
186.13982	1.3
187.07494	5.1
187.11137	11.1
187.14792	20.6
188.12029	1.5
189.09082	3.8
189.12743	7.5
189.16356	26.1
190.17073	1.1
191.10646	3.8
191.14296	3.0
191.17931	34.4
193.10133	2.7
193.12097	2.0
194.10847	2.0
195.07928	1.2
195.11623	7.6
196.12518	1.5
197.09555	0.9
197.13210	15.2
198.10350	2.5
199.11176	7.7
199.14830	5.8
201.09015	4.5
201.12755	11.9
201.16385	9.2
202.13370	1.1
203.10667	1.8
203.14313	11.9
203.17937	21.3
205.12154	4.2
205.15863	2.4
205.19548	1.4
207.11694	4.8
207.17410	3.7
208.12503	1.4
209.13197	5.9
210.10324	1.3
211.11174	2.7
211.14804	4.9
213.12737	10.0
213.16348	5.9
215.10716	2.3
215.14316	25.8
215.17792	7.6
217.12224	8.0
217.15842	3.5
217.19498	6.3
219.11795	1.8
219.13777	6.1
220.12375	1.3
221.13339	4.3
222.14084	1.1
223.11237	1.7
223.14944	4.6
225.12794	8.1
225.16333	6.2
227.14420	4.5
227.17909	5.1
229.12241	2.5
229.15930	2.0
229.19478	6.9
231.11687	1.1
231.13774	25.3
233.13338	1.2
233.15294	12.5
235.12927	1.9
235.14807	3.6
237.12698	1.8
237.16389	6.0
239.14365	2.1
239.17928	3.5
241.15785	3.7
241.19518	3.0
243.13770	37.5
243.17439	1.8
243.21022	1.6
245.15352	3.6
247.13266	3.1
249.14822	6.2
249.16771	2.4
251.17987	9.8
253.15837	2.0
253.19473	2.8
255.17490	2.2
255.20973	1.2
257.22607	2.9
259.17117	1.5
261.14752	38.8
263.18002	1.6
265.14182	1.6
265.19534	2.6
267.17398	3.3
267.20932	1.5
269.18936	3.0
271.16849	1.5
271.20547	1.1
275.17929	1.0
277.19519	1.6
279.15863	100.0
280.16211	1.9
281.18921	2.7
283.16934	2.2
283.20413	1.5
285.18478	1.1
293.19000	1.9
295.17163	1.4
295.20462	1.6
297.18408	3.8
299.20004	2.2
309.18497	1.0
309.22211	1.1
311.20096	1.5
313.18170	1.0
313.21814	1.1
315.19449	1.0
317.22546	1.0
319.20471	1.7
319.23972	1.1
331.24094	1.1
335.23663	1.0
337.21747	1.6
349.25235	1.4
363.22913	1.4
377.24359	1.0
377.32141	1.6
387.30426	10.2
403.30093	5.7
405.31421	13.8
409.31046	1.3
415.29944	10.2
421.30917	10.0
423.32593	5.4
433.31018	28.1
439.32004	4.1
451.32043	34.5
469.33118	35.2
470.33246	1.1
487.34158	18.4
581.34509	4.9
599.35736	4.2
609.33917	4.2
615.34808	3.5
627.35132	15.7
633.36432	1.3
645.36255	11.0
663.36755	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62106	0.5
67.01854	2.0
68.89292	0.5
68.99770	5.2
69.03415	0.9
70.06573	0.5
70.90479	0.8
70.90829	1.0
72.08109	0.6
85.02900	1.6
91.05521	0.5
93.06993	0.5
95.04945	0.6
95.08657	0.5
97.02874	0.8
98.21346	0.7
107.04922	0.7
110.43855	0.5
111.00794	1.4
120.08104	0.6
121.02848	1.4
125.02355	0.4
127.03907	0.8
137.02322	1.2
137.05951	0.5
141.31998	0.5
143.08667	0.6
147.04382	0.8
153.01805	51.0
154.02220	0.6
163.03891	6.6
165.01721	0.5
166.02542	0.6
167.07060	1.1
171.02931	1.4
174.03252	0.5
179.03418	1.6
181.01324	0.7
183.02913	0.6
185.13379	0.6
191.03380	12.5
192.04141	0.5
195.02882	1.7
202.02621	0.9
203.03319	3.1
205.01303	0.9
207.02939	1.3
215.03319	0.8
219.02870	5.7
219.04561	0.5
220.03703	1.0
221.04433	1.4
227.03287	1.2
229.04729	0.6
231.02873	6.6
232.03609	0.8
239.03445	1.3
241.04968	0.7
243.02834	1.1
244.03799	0.6
245.00742	0.6
247.02342	9.2
248.03188	0.6
249.05649	0.6
253.04926	1.3
255.02785	2.3
257.04285	0.9
259.02399	2.8
261.05566	0.6
265.04929	1.0
267.02939	1.4
267.06628	0.6
269.04517	1.1
271.02365	3.1
273.03836	0.6
274.04446	0.5
277.04956	2.4
279.02902	1.1
281.04526	1.4
283.02512	2.2
284.03085	0.9
285.03955	1.1
287.01892	1.1
289.04858	1.1
291.05084	1.2
293.01080	0.6
293.04382	2.4
295.02554	2.5
295.05460	0.6
297.03900	1.1
299.01865	0.9
300.02600	2.5
303.02771	0.8
305.04416	3.5
307.02539	0.7
308.03131	0.5
309.00558	1.0
309.04016	1.6
311.01987	0.9
312.02731	1.6
313.03326	2.2
315.01208	1.0
317.04498	1.2
318.03613	0.7
321.03934	4.5
322.04660	0.7
323.01859	1.6
323.05597	1.2
323.12512	1.0
325.03583	1.3
327.01370	2.0
329.02823	7.0
330.03546	0.9
331.02185	0.7
333.03757	3.1
336.99643	1.1
337.03488	2.2
339.01343	1.3
339.05856	0.5
341.03006	1.3
343.05725	0.5
345.03970	2.8
347.01868	0.7
349.03357	2.6
350.04230	1.7
351.01202	1.0
351.04999	1.8
353.02991	1.8
355.01089	0.8
355.05804	0.8
356.01685	2.1
359.04785	0.7
361.03406	3.2
362.03922	0.6
363.05008	1.0
365.02869	4.1
366.03821	1.6
367.00677	0.9
368.01572	2.5
369.02393	1.5
373.03009	3.8
374.97723	1.1
377.02866	4.2
378.03766	1.1
379.00711	1.2
379.04733	2.9
381.02625	0.8
383.03964	3.9
384.01120	3.5
385.01962	0.8
389.02521	2.4
390.03812	0.6
390.99966	0.5
391.04538	1.8
393.02631	3.7
394.03137	1.6
395.00024	1.0
395.04596	1.0
399.03491	2.6
400.05582	0.6
401.02280	2.3
403.04633	1.5
405.02313	4.7
407.03995	2.8
411.04807	0.9
413.06921	0.6
417.02072	2.6
419.03625	0.7
421.01831	2.1
426.02084	0.6
427.04437	0.6
429.02185	13.9
431.04074	0.9
433.01834	1.9
435.03510	2.8
439.04385	0.9
441.06311	1.0
445.01514	2.7
447.03488	1.5
449.04926	0.9
451.03986	1.3
457.01321	1.7
457.05817	2.3
459.03659	1.0
461.01025	4.3
463.02972	1.4
467.03943	1.0
469.05902	2.7
471.03467	1.3
475.03400	0.6
479.03372	1.0
484.99838	0.6
485.06094	4.2
489.00653	2.5
495.03244	1.2
497.04712	2.2
499.02615	0.6
503.02103	1.3
507.02982	0.8
513.04840	5.3
519.02386	1.1
523.02893	1.8
525.04321	4.2
527.02911	0.6
529.04016	0.9
531.01709	11.6
532.02679	0.6
541.03705	3.9
543.04950	0.7
545.02985	0.7
551.02258	1.1
552.02948	0.6
553.04028	9.1
559.04980	1.8
569.03656	7.3
571.05145	2.0
587.04456	10.5
597.02936	100.0
598.03333	2.3
601.06024	3.0
605.05457	0.6
615.03967	25.7
619.06995	0.9
629.05566	8.5
633.05011	3.2
647.06586	46.3
648.06995	0.8
665.24219	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	665.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32024	0.4
55.01835	0.6
65.59837	0.4
67.01852	2.3
67.05478	0.6
68.99780	4.0
69.03418	2.1
70.06586	0.5
71.04964	0.5
71.61565	0.6
79.05470	0.6
81.03378	1.0
81.07027	1.0
83.01326	0.7
85.02872	1.1
91.05450	0.9
91.06005	0.3
93.07001	0.7
95.04937	0.5
95.08589	0.5
97.02863	1.5
105.07010	0.7
107.04909	0.4
107.08603	0.4
109.02832	1.1
111.00744	1.9
119.08562	0.8
121.02857	0.4
121.10123	0.6
123.04415	1.5
123.11646	0.4
125.02296	0.6
126.03094	0.4
127.03901	1.7
131.04895	0.6
131.08533	0.4
133.10109	0.8
135.04373	0.5
135.08118	0.4
136.12032	0.3
137.02312	1.7
137.05942	1.2
139.03853	1.0
139.15810	0.4
143.08540	0.5
145.02873	0.5
145.10106	1.1
147.04382	1.5
149.02341	0.5
151.03876	2.7
152.04192	1.2
153.01801	100.0
154.02130	0.9
159.11571	0.4
163.03888	3.0
165.01788	1.4
165.05443	0.4
166.02582	0.5
167.06992	1.4
170.03915	0.3
171.02863	3.0
171.04219	0.5
173.13226	0.5
175.03802	1.0
177.01828	0.6
177.05405	0.9
179.03349	2.4
181.01294	1.6
181.06375	0.6
183.02959	0.6
187.03842	2.1
189.01779	0.5
189.05350	0.4
191.03322	4.2
193.01297	0.9
193.04897	1.6
195.02861	3.7
199.03894	0.6
201.05379	0.6
203.03371	7.2
204.04097	0.5
205.04924	1.0
207.02864	1.4
209.06055	0.6
215.03406	1.7
216.04111	0.6
217.04926	1.1
219.02834	7.0
220.03575	0.7
221.04286	2.5
223.02284	0.6
225.05409	0.5
227.03345	1.9
229.04907	0.9
231.02863	6.9
232.03667	1.2
233.04402	1.1
237.05496	1.2
239.01704	0.6
241.01286	0.5
241.04753	0.8
243.02872	2.5
244.03590	0.7
245.04451	1.4
247.02325	3.1
248.03307	0.5
249.03925	1.1
251.03598	0.4
253.04935	1.4
255.02849	3.0
255.06425	1.0
255.11195	0.7
256.11511	0.5
257.00781	0.5
257.04456	0.6
258.05008	0.4
259.02295	3.0
260.03091	1.2
261.03870	1.6
265.04959	2.2
266.05795	0.4
267.02948	1.0
267.06494	1.3
268.11710	0.4
269.00797	0.8
269.04407	1.4
271.02286	2.4
271.05878	0.4
273.03891	1.4
275.13815	0.4
277.04758	1.3
279.03156	0.5
279.06393	0.6
281.01013	0.8
281.04437	2.0
282.04913	0.5
283.02341	2.2
283.05969	1.3
285.03824	1.7
287.01770	3.9
288.02655	0.5
289.03128	1.9
290.03949	0.7
293.01099	0.6
293.04343	4.5
294.05090	0.6
295.02396	1.0
295.05997	2.5
297.00598	0.7
297.04010	1.5
299.01862	1.7
299.05225	0.7
300.02539	0.4
301.03369	4.6
301.11758	0.5
302.12146	0.6
305.04437	2.8
305.07745	0.5
307.05914	0.9
309.00568	0.6
309.03912	2.3
310.04602	1.3
311.01834	1.1
311.05478	3.2
313.03348	3.8
313.11771	0.9
314.12051	0.5
315.01367	0.6
316.02103	1.1
317.02737	2.1
318.03625	5.5
319.04416	6.8
321.03888	6.1
322.04559	1.3
323.02005	0.7
323.05386	4.2
325.03442	1.4
326.04178	0.6
327.01218	0.9
327.05032	2.2
328.01917	0.8
329.02850	38.6
330.03284	1.3
330.11542	0.5
331.04550	1.1
333.03735	2.2
334.04727	0.6
335.05240	1.6
336.99643	0.8
337.03241	4.4
338.04260	0.7
339.01074	0.7
339.04883	5.8
341.02939	1.3
341.06616	0.9
344.01590	3.4
345.03586	0.7
347.04266	0.8
349.03314	4.1
350.04172	1.5
351.01178	0.5
351.04941	7.2
352.02249	0.6
353.02725	2.5
353.06519	0.4
355.00601	0.7
355.04602	1.6
356.05200	1.0
359.03900	13.9
361.03360	2.9
361.13678	0.8
362.03906	0.5
362.14203	1.0
363.04901	1.9
365.02750	2.1
365.06879	0.6
366.03613	1.9
367.01114	0.4
367.04468	9.8
368.04984	0.5
369.02356	0.8
369.06235	3.2
373.03165	1.0
373.13824	1.1
375.05023	0.8
377.02802	6.6
377.06830	0.4
378.03668	1.0
379.04440	8.1
380.05096	0.5
381.02399	1.2
383.03867	2.1
384.04965	0.6
387.05026	0.7
389.02670	2.1
391.04419	2.5
393.02130	4.1
394.03140	0.5
395.03931	16.7
397.05594	1.4
399.04388	0.4
401.02518	0.6
403.04388	0.6
405.02209	4.4
407.03949	6.1
409.01477	0.7
417.02350	0.9
419.03806	3.6
421.01514	3.2
423.03387	3.6
425.05020	1.9
429.06113	1.2
433.01474	2.5
435.03323	5.4
436.03595	0.5
439.06839	0.8
441.05954	0.7
443.03891	0.4
445.01904	1.4
447.03229	1.2
451.02841	5.2
452.03235	0.6
453.04514	1.5
457.05701	2.0
459.03513	0.6
461.00650	2.3
463.02942	1.3
465.04010	0.5
467.06073	2.0
469.05438	1.4
471.03506	0.9
475.06808	0.6
477.04413	0.6
479.02408	7.8
481.03793	0.5
485.05212	4.0
489.04419	1.2
491.06403	0.4
493.04044	0.9
495.05399	1.9
497.05200	1.7
501.04126	0.7
503.06454	3.1
507.01913	0.6
513.04327	3.8
514.05048	0.5
515.06189	0.6
517.04047	1.0
525.03864	1.4
529.04022	1.0
530.04578	0.5
531.05682	3.8
532.06244	0.4
535.04675	1.9
541.04016	2.6
543.05554	4.3
545.03351	4.9
547.05042	0.8
549.06543	1.7
553.04419	0.6
557.06226	0.7
559.05035	6.6
569.03314	2.7
571.04993	3.7
577.06030	12.7
578.05829	0.7
587.04456	30.1
588.04926	1.0
597.02832	2.7
601.05939	1.3
605.05493	48.3
606.06158	1.5
615.03937	20.3
616.03918	0.5
619.06903	3.0
629.05872	1.9
632.19739	0.5
633.05048	4.7
633.19720	0.8
647.06561	17.4
648.07343	0.5
665.07599	22.1
665.21533	1.2
666.08051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33133	0.4
55.05512	1.1
58.19522	0.4
65.03932	1.6
67.05502	3.2
68.57001	0.4
69.03414	1.4
69.07047	1.7
69.30794	5.6
71.04973	1.1
77.83437	0.5
79.05488	2.3
81.03399	1.5
81.07043	5.3
83.04967	1.6
83.08607	1.1
85.02892	1.4
87.65899	0.5
90.11774	0.5
91.05470	14.7
93.07034	5.8
95.04966	1.9
95.08598	6.0
97.02901	0.6
97.06509	1.1
98.20753	1.0
98.21413	1.3
104.07202	0.4
105.07021	9.1
107.08578	5.7
109.06511	1.6
109.10133	3.5
110.75761	0.4
111.04468	0.7
111.08088	0.9
117.07007	2.1
119.04933	27.2
119.08573	10.7
119.09431	0.5
120.05267	0.6
121.10130	5.0
123.08043	1.7
123.11722	0.7
128.06184	1.1
129.06984	1.7
131.08554	7.4
133.10103	5.4
135.08023	1.4
135.11687	1.2
138.68016	0.5
139.14536	0.4
141.07045	0.5
142.07770	1.2
143.08556	5.0
144.09328	0.7
144.40112	0.4
145.10112	10.3
146.10518	0.5
147.04398	100.0
147.08076	1.2
147.11697	3.0
148.04712	1.2
149.05971	0.7
149.09598	1.4
149.13237	0.6
151.07491	0.6
154.07729	0.6
155.08565	2.0
156.09328	1.6
157.10107	6.2
159.08014	1.0
159.11676	9.2
161.09634	1.4
161.13249	1.8
161.98590	0.5
163.03894	1.8
163.11223	1.0
163.14938	0.7
165.05450	0.7
167.08549	0.7
168.09335	0.9
169.10123	3.0
170.10905	1.1
171.11708	4.4
173.13234	6.3
175.11215	0.9
175.14828	1.7
177.12691	0.7
177.16347	0.6
180.09239	0.4
181.10100	1.1
182.10938	1.1
183.11678	6.5
185.13242	5.3
187.11195	1.3
187.14806	6.5
189.12772	1.3
189.16376	0.7
191.14310	1.4
195.11711	1.5
197.13246	3.9
199.11192	0.6
199.14807	5.0
201.12718	14.7
201.16257	2.2
203.14320	2.3
205.12263	2.6
205.15910	0.5
207.13751	0.6
209.13252	1.5
211.14796	1.8
212.11398	0.5
213.12770	0.5
213.16383	1.3
215.14310	1.5
217.15874	2.0
219.13736	0.7
221.13222	1.0
221.15207	1.0
223.14780	1.1
225.16490	0.9
229.15941	0.9
231.13680	0.6
231.17323	0.6
235.14758	0.8
237.74144	0.5
243.13705	0.6
247.13225	5.9
251.18010	0.6
257.15485	0.8
288.55356	0.6
305.22635	0.6
401.28302	2.4
419.29456	3.7
421.30984	0.8
429.22076	0.6
429.27960	0.5
435.28497	1.0
437.30408	2.4
447.28961	2.7
453.29971	13.8
454.30383	0.7
465.29947	2.5
483.24860	0.8
483.31094	11.5
494.32898	1.1
501.32013	2.4
629.34534	3.3
647.35724	2.6
665.35803	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05492	1.4
56.96568	0.4
57.03428	0.6
57.07096	0.4
57.32807	0.4
61.02909	0.5
65.03925	1.3
66.39664	0.3
67.05505	3.4
69.03415	1.0
69.07053	1.2
71.01720	1.0
71.05001	0.8
79.05486	3.0
81.03410	0.9
81.07053	4.4
81.15689	0.4
83.04959	0.8
83.08629	0.6
85.02882	0.9
85.06502	0.4
86.09702	0.4
91.05476	14.6
92.05818	0.4
93.07029	4.6
95.04948	1.8
95.08599	5.2
97.02887	0.7
97.06494	1.7
97.10175	0.4
99.04429	0.7
105.06367	0.6
105.07027	7.3
107.04959	0.8
107.08578	4.4
109.06510	1.0
109.10140	2.9
111.08054	0.8
114.53082	0.4
115.05481	0.4
117.07018	2.1
119.04932	28.8
119.08573	8.5
121.06461	1.0
121.10141	3.7
123.08072	1.4
123.11640	0.6
125.09569	0.5
127.03880	0.4
129.07010	1.6
130.07678	0.4
131.08553	5.5
133.06442	0.5
133.10117	4.2
135.08031	1.0
135.11723	1.2
137.09639	0.5
141.07007	0.6
141.82347	0.4
142.07782	1.0
143.08542	3.6
144.09357	0.6
145.10094	6.8
147.04395	100.0
147.11642	2.3
148.04718	0.9
149.09575	1.0
149.13304	0.5
151.11214	0.4
155.08542	2.0
156.09355	0.7
157.10109	4.9
159.08049	0.6
159.11687	7.4
161.09654	0.9
161.13252	1.6
163.03922	0.5
163.11230	0.5
163.14790	0.4
167.08588	0.5
168.09332	0.8
169.10097	2.9
170.10912	0.7
171.11685	3.7
172.12314	0.5
173.09737	0.7
173.13237	5.2
175.11241	0.5
175.14775	1.1
177.12747	0.6
181.10135	0.9
182.10945	1.0
183.11688	4.1
185.09671	0.6
185.13242	4.4
187.11145	0.8
187.14793	5.3
189.12706	1.5
189.16348	0.8
191.14351	0.6
193.10127	0.5
195.11700	0.7
197.13243	2.8
199.11230	0.4
199.14798	3.4
201.12717	10.0
201.16373	1.9
203.14220	1.7
205.12119	1.8
205.15804	0.7
207.11717	0.6
207.13771	0.8
209.13324	0.7
211.14870	1.5
213.16374	1.2
215.14262	1.1
217.15868	1.5
219.13722	0.5
221.13367	0.5
221.15350	0.7
223.14853	0.7
225.16457	0.6
226.19855	0.4
229.16019	0.8
231.13766	0.5
233.15367	0.5
237.16513	0.5
239.17897	0.5
243.13824	0.8
247.13263	4.2
253.19501	0.4
257.15363	0.8
261.14807	0.5
275.20123	0.5
289.19199	0.4
383.27240	0.4
389.28351	0.4
401.28351	1.6
407.29355	0.5
419.29428	2.0
421.30942	0.6
429.27847	0.9
435.28766	0.8
437.30545	2.2
447.28976	2.3
453.29987	16.6
454.30167	0.8
465.30212	2.1
483.31046	12.3
494.32483	1.3
501.32114	6.1
629.34137	2.3
647.35675	1.7
663.27191	0.4
665.35077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.329
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03930	0.6
55.01867	0.6
55.05494	1.3
57.03424	1.6
61.02924	3.7
67.05501	3.9
69.03419	2.4
69.07066	1.4
71.01328	0.8
71.04990	0.7
71.63485	0.5
73.02911	3.1
79.05479	3.3
81.03413	3.5
81.07044	3.0
82.89068	0.3
83.04967	2.0
83.08607	1.1
85.02891	5.0
91.03948	2.3
91.05448	3.0
93.07024	3.9
95.04958	1.4
95.08604	1.2
97.02872	3.4
97.06522	1.0
97.10155	0.7
99.04444	1.0
101.02376	1.4
105.07024	2.0
107.04949	0.6
107.08572	3.1
109.02879	0.8
109.06511	0.6
109.10145	0.9
111.04475	0.5
111.08068	0.3
117.07055	0.7
119.04959	0.7
119.08570	1.9
121.06527	0.4
121.10149	1.2
123.08044	0.6
127.03889	1.4
129.05472	0.3
129.07002	0.5
131.08572	1.0
133.10135	1.4
135.07986	0.3
135.11667	4.0
137.09666	0.5
139.03925	0.4
139.50603	0.3
145.05000	0.3
145.10104	0.9
147.04388	1.5
147.11659	1.4
148.86832	0.3
157.10184	0.7
159.11780	0.3
163.11179	1.2
173.13222	0.5
175.11092	0.6
181.12279	0.3
185.04172	0.6
193.12250	1.4
203.05367	0.5
211.13280	0.7
221.11421	0.9
243.08330	2.2
243.10535	0.3
251.12616	0.7
255.15935	0.7
277.14194	0.4
295.06140	0.3
304.51956	0.3
307.15344	0.6
336.30460	0.3
357.15454	0.5
438.95569	0.3
439.19330	9.2
469.20398	6.5
470.20468	0.4
597.09271	0.3
649.35669	0.4
667.32874	100.0
668.33197	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	667.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42313	0.3
53.03929	0.4
55.01868	0.4
55.05503	2.3
57.70492	0.3
65.03928	1.7
67.05176	0.4
67.05488	2.7
69.03407	0.8
69.07058	1.2
71.04976	0.5
79.05481	2.5
81.03425	0.3
81.07047	5.9
83.04948	1.0
83.08607	1.7
85.06525	0.5
91.05468	14.4
93.07031	6.1
95.04957	2.9
95.08595	7.0
96.34195	0.3
97.06526	1.1
98.20686	0.7
99.08073	1.2
105.07018	7.7
107.04950	0.4
107.08582	7.9
109.06516	1.6
109.10137	3.4
111.08099	0.4
115.05492	0.3
117.06985	1.7
119.04927	27.0
119.08564	13.5
121.06521	0.6
121.10127	5.1
123.08057	1.4
123.11692	0.8
125.09617	0.4
128.05312	0.3
128.06165	0.8
129.06981	1.2
130.07677	0.5
131.08554	7.5
131.09496	0.6
133.10107	6.6
133.52824	0.3
135.04337	0.4
135.08043	0.8
135.11676	2.2
137.09592	0.4
142.07733	1.1
143.08553	4.3
143.13148	0.3
145.09010	0.7
145.10104	10.0
147.04388	100.0
147.11670	4.2
148.04744	1.7
149.09605	1.4
149.13243	1.5
151.07521	0.5
151.11177	0.7
153.09090	0.5
155.08556	1.1
156.09337	0.7
157.10110	5.1
158.10857	0.8
159.11655	8.3
161.09598	1.3
161.13246	3.2
163.03889	2.0
163.07512	0.6
163.11131	0.7
163.14801	0.9
165.05489	0.5
169.10104	1.9
170.10892	0.7
171.11667	3.9
173.13240	6.2
175.11195	1.0
175.14789	3.5
177.12628	0.4
177.16415	0.4
181.10101	0.6
181.77628	0.3
182.11003	0.4
183.10248	0.4
183.11635	2.1
184.12451	0.8
185.13245	6.1
187.14810	9.8
189.12714	1.5
189.16360	1.7
191.14294	1.1
193.10374	0.4
193.12166	0.4
195.11676	1.1
197.13243	2.1
199.14803	7.4
201.12642	0.6
201.16374	5.6
203.14310	4.9
203.17906	0.6
205.15852	1.1
207.13824	0.4
209.13255	1.0
209.15294	0.5
211.14700	1.8
213.16356	3.8
215.14284	1.5
215.17917	1.4
217.15869	3.1
219.13872	0.5
219.17439	0.7
221.13290	0.5
221.15308	0.7
223.14746	1.1
225.16357	1.0
227.17976	1.5
229.15817	1.5
229.19475	0.5
231.13708	0.4
231.17419	1.3
233.15292	2.2
235.14803	0.5
235.16905	0.8
237.16463	0.8
239.17929	0.7
241.19554	0.6
245.15381	1.8
247.17030	0.7
249.14751	2.4
251.17926	0.7
253.19493	0.8
259.16965	1.1
261.15775	0.3
267.21155	0.6
277.19678	0.4
291.21021	0.4
307.24124	0.5
325.21530	0.4
353.24841	0.4
367.26285	0.4
385.28873	0.9
391.30002	1.0
403.29919	5.1
405.31644	2.0
409.30707	0.9
419.29385	1.0
421.31012	6.0
422.31619	0.5
423.32504	1.5
431.29477	1.5
437.30228	0.9
439.31998	1.7
449.30438	4.6
451.32404	0.4
455.31506	14.6
456.31741	0.6
457.32959	1.0
467.31451	4.3
485.32541	14.7
486.32950	0.9
496.34134	0.4
503.33655	3.2
504.33835	0.4
554.90698	0.4
631.35962	4.1
632.36230	0.5
649.37274	3.6
667.38495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.2
55.05490	0.9
60.64417	0.2
65.03928	1.2
67.05499	1.6
68.54854	0.2
69.03413	0.5
69.07059	1.2
69.54998	2.1
79.05469	1.7
81.03403	0.4
81.07035	3.8
83.04955	0.8
83.08595	1.0
85.02888	0.3
91.05460	16.0
93.07019	3.9
95.04943	1.1
95.08591	4.4
97.06516	0.4
99.08080	1.1
105.07019	5.2
106.07357	0.2
107.04954	0.3
107.08580	4.6
109.06503	0.8
109.10127	2.7
111.08060	0.5
115.05437	0.3
117.06990	1.0
119.04920	28.6
119.08556	8.9
120.05236	0.3
120.08886	0.3
121.06524	0.5
121.10123	3.9
123.08020	0.7
123.11689	0.6
125.09567	0.3
128.06163	0.3
129.06955	1.0
131.08553	4.5
133.10104	4.6
135.07997	0.5
135.11670	1.5
137.09566	0.4
142.07788	0.7
143.08528	3.6
145.10098	6.6
147.04382	100.0
147.11655	2.9
148.04675	1.5
149.09599	0.6
149.13248	0.9
155.08551	0.9
156.09337	0.7
157.10123	3.1
158.10861	0.4
159.11662	4.2
161.09641	0.6
161.13234	1.8
163.07481	0.4
163.11220	0.3
163.14801	0.6
165.09102	0.3
167.10660	0.3
169.10106	1.6
170.10898	0.6
171.11662	2.6
173.09581	0.3
173.13222	4.0
175.11259	0.4
175.14819	2.7
177.12720	0.4
177.16370	0.5
179.14317	0.3
181.10240	0.4
183.11659	1.4
184.12431	0.3
185.13229	4.3
186.13603	0.3
187.14790	5.8
189.12741	0.9
189.16368	1.1
191.14293	0.5
195.11722	0.6
197.13220	1.5
199.14799	4.7
201.12645	0.3
201.16364	3.7
203.14301	2.8
203.17932	0.3
205.12196	0.3
205.15848	0.8
207.11665	0.3
209.13306	0.7
211.14725	1.1
213.16347	2.7
215.14302	1.0
215.17947	0.5
217.15814	1.6
219.13782	0.5
221.15324	0.7
223.14787	0.6
225.16312	0.7
227.17989	0.5
229.15794	0.8
231.13597	0.4
231.17421	0.5
233.13307	0.3
233.15242	1.6
235.16948	0.3
237.16528	0.3
239.17966	0.7
245.15326	1.1
247.16957	0.5
249.14821	0.9
253.19490	0.5
259.16943	0.5
263.17865	0.3
265.19473	0.3
279.21060	0.3
299.20041	0.5
333.22040	0.3
334.54510	0.2
385.28815	0.6
391.29816	0.7
392.52319	0.3
403.29855	3.1
405.31519	0.4
409.30835	0.6
419.29297	0.8
421.30942	3.8
423.32407	0.7
431.29358	1.0
437.30380	0.4
439.32098	0.9
449.30444	2.7
455.31494	13.9
456.31583	0.4
467.31342	2.3
485.32559	11.0
486.32788	0.4
490.52850	0.3
496.34091	1.0
503.33606	4.0
505.33368	0.3
631.36023	2.6
649.37048	1.3
667.35938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2908
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.62532	0.3
55.05494	0.7
58.18673	0.2
67.05485	1.1
69.03440	0.3
71.04964	0.2
71.62250	0.4
75.04468	0.6
79.05479	1.2
81.03389	0.4
81.07030	1.1
83.04958	0.3
83.08622	0.4
91.05457	0.6
93.07008	0.7
95.05003	0.5
95.08578	0.6
97.10169	0.4
105.06969	0.6
107.04988	0.3
107.08584	0.5
109.06526	0.3
119.08560	0.4
125.09602	0.3
131.08595	0.3
145.10091	0.3
154.76448	0.2
163.11063	0.3
225.10153	0.4
259.20413	0.3
273.18405	0.4
275.20041	0.4
291.19620	1.4
292.19974	0.4
293.33350	0.3
302.12515	0.3
326.58386	0.3
363.15970	0.3
377.17719	1.0
390.18555	0.4
391.15106	0.6
391.19415	1.1
392.20239	0.6
393.16452	0.4
393.20789	2.7
394.21683	0.3
401.17719	0.4
403.19586	0.4
405.16327	1.8
405.21567	0.6
406.17450	0.6
406.22028	0.5
407.18216	0.6
418.17819	0.4
419.18600	3.4
420.19281	2.7
421.20078	5.1
422.20682	0.3
431.18860	0.6
433.21002	2.5
434.21075	1.1
435.17758	0.6
443.18613	0.3
444.19342	0.4
445.20483	0.5
447.17404	2.8
448.18698	3.0
449.19656	4.7
458.17316	0.4
461.19702	2.0
462.20734	1.4
463.17093	1.0
463.22049	0.9
465.19092	0.4
473.19705	1.1
475.21899	1.5
476.18204	1.7
477.19003	3.0
478.19724	0.7
489.18484	1.4
490.19864	0.6
491.20898	1.8
492.21634	0.6
493.22272	0.8
494.22815	0.6
495.24207	0.5
503.20685	1.9
506.23386	0.5
507.24118	5.0
521.26135	0.6
522.22644	0.5
523.23535	1.0
528.38184	0.4
531.23486	0.3
535.23364	9.3
536.23523	0.4
549.24939	4.1
559.23370	1.8
563.22791	15.1
564.23206	0.6
567.26221	1.2
577.24414	4.6
578.25104	1.1
579.26117	1.1
581.27557	2.8
591.21484	0.3
595.25305	4.5
609.27051	4.9
619.25604	1.0
623.24884	4.8
637.26239	1.6
638.26453	0.3
641.29523	1.5
669.29059	100.0
670.29639	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2912
Annotation	Agrimol G
Peak:m/z	Relative Intensity
53.45432	0.5
55.01875	0.6
57.38583	0.5
64.44722	0.6
67.05489	1.5
69.07059	0.9
71.08611	0.5
71.61852	0.8
79.05475	0.8
81.07051	1.9
83.04983	1.1
83.08601	0.7
93.07015	1.4
94.50860	0.5
95.08601	1.2
105.07060	1.1
106.10773	0.5
107.08590	0.6
109.10152	0.7
379.19656	0.7
391.19470	1.2
393.20905	0.8
405.16989	1.4
407.22766	2.9
418.17529	0.9
419.18710	2.0
420.19458	2.2
421.20364	2.6
431.18811	0.8
433.20258	9.8
434.21140	3.6
435.21814	3.9
436.22781	0.7
445.20374	0.7
447.22321	1.0
448.18604	1.1
449.19641	3.8
463.21341	1.9
464.22241	0.7
493.21811	0.7
495.23535	0.9
500.45218	0.6
505.22281	0.9
507.20117	0.8
520.24902	0.7
521.25293	5.0
522.22565	2.7
523.23804	1.8
532.20020	0.6
535.23651	1.2
549.25208	3.2
565.23688	0.6
580.26874	1.1
581.26581	1.2
609.27014	15.7
610.28345	0.7
614.92902	0.6
669.29126	100.0
670.29401	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96283	1.1
56.96556	17.8
57.03418	0.9
61.68295	0.5
69.03412	1.8
69.29318	5.9
73.02914	0.8
74.97598	2.3
75.40602	0.5
81.03411	0.7
82.98166	0.5
84.96019	3.7
85.02892	3.2
88.08761	0.4
95.58327	0.4
97.02872	1.6
98.21452	0.8
98.97572	30.5
100.99152	2.7
102.97034	0.9
110.97526	6.4
111.20731	0.5
112.99121	3.5
116.98612	24.9
119.00169	2.3
119.01915	2.2
127.03889	1.4
128.98596	15.4
131.00153	22.4
131.01862	1.7
131.51904	0.6
132.01819	0.6
133.03377	0.5
134.01529	0.5
134.99646	12.0
137.01878	1.5
137.02809	0.5
137.51910	0.5
138.01759	0.8
139.00769	0.8
140.79103	0.4
140.98592	2.4
143.00156	5.2
143.01898	2.0
144.01872	0.7
144.87648	0.5
145.00752	1.3
145.03448	1.1
145.04916	0.6
146.99637	17.7
149.01205	92.8
150.01738	0.6
151.00697	0.7
152.52325	0.5
152.98587	2.0
153.00713	1.1
155.01865	1.6
157.03525	1.2
158.01242	0.9
158.02434	0.5
158.99646	16.7
160.01233	1.5
161.01201	10.6
161.02925	2.3
162.99202	0.9
163.02681	1.2
165.00746	2.9
166.01314	0.8
167.02267	41.8
169.01738	0.7
170.01184	0.7
170.98148	1.1
170.99635	22.6
171.52126	0.6
172.02779	3.2
173.01225	6.2
173.02951	3.8
173.36459	0.6
173.53012	0.6
174.97639	2.2
174.99057	1.0
175.02756	2.9
175.04317	0.9
176.02614	3.1
176.52583	0.7
177.00694	23.0
178.01373	0.6
179.02309	1.9
181.01840	1.3
182.03386	0.6
182.99646	6.3
183.05052	0.6
184.02802	0.7
185.01271	1.1
185.03070	4.3
187.02846	1.2
187.04369	0.6
188.02547	1.0
189.00699	35.1
189.06049	1.5
190.02342	1.0
190.03850	2.1
191.02258	19.8
191.03972	1.3
192.98643	2.1
193.03775	1.7
194.99969	0.7
195.01695	3.1
196.02252	0.9
196.28741	0.6
197.03146	3.0
197.53200	0.8
200.02374	1.2
201.00696	31.3
201.05997	1.0
202.02367	0.8
203.02206	13.1
203.03908	1.1
203.54132	0.9
204.98555	0.8
205.03815	2.5
207.01756	6.0
209.03284	3.3
211.02832	1.5
211.04874	0.7
212.02356	1.5
212.04398	0.6
213.00830	3.4
215.02237	1.6
217.03825	12.4
218.03592	0.9
219.01781	32.7
221.03334	3.8
221.05107	1.0
224.02327	1.1
225.00606	0.9
227.02229	6.8
227.04100	0.7
228.98480	1.3
231.01950	3.7
232.03389	2.1
232.53487	0.6
233.03310	9.1
235.04768	1.3
237.00417	1.1
237.02798	21.2
242.03326	1.9
243.01764	13.0
244.98228	0.9
245.02884	0.8
245.05240	4.8
246.05304	1.0
246.99763	0.7
247.04684	1.4
248.04749	3.6
248.54787	1.1
248.97729	0.7
249.02838	0.7
251.04395	1.8
254.99409	1.9
255.01698	1.1
255.03915	2.2
260.04526	0.7
261.02814	50.6
263.06271	0.9
272.97659	0.9
273.00180	2.6
273.02945	4.1
275.04150	1.1
279.03879	29.0
281.05469	1.0
284.04218	0.9
290.98874	4.3
291.03857	7.9
291.09033	3.3
292.05264	2.6
292.55463	0.6
293.05402	100.0
294.05768	1.2
302.05359	3.3
302.98773	1.5
305.07181	0.6
308.99731	0.6
309.04807	1.2
311.06461	89.2
312.06815	1.0
313.55624	0.6
314.05496	0.7
314.98871	1.9
321.04904	11.0
321.10342	1.5
328.57541	0.7
329.03079	73.0
329.06836	6.0
329.57306	0.7
330.03424	0.6
333.05035	1.5
334.08109	7.6
335.08148	0.7
337.09784	2.5
344.99713	1.1
347.03934	1.3
351.05698	3.2
351.11566	0.9
352.04984	0.7
352.09149	0.7
353.07510	88.8
354.07764	0.8
355.08975	1.5
356.99719	0.8
357.08057	1.0
365.07590	3.7
365.59274	1.6
366.09174	1.6
370.05826	0.8
373.05179	3.7
375.00839	1.2
375.05252	1.1
381.07007	5.2
383.08597	7.4
389.07758	3.3
393.01950	1.6
399.08081	5.2
401.07498	0.8
403.06604	2.0
407.08630	0.7
413.09644	24.1
417.04718	81.4
418.04819	1.8
419.04272	0.7
422.09732	0.7
431.08075	0.7
435.05759	11.6
437.09631	1.3
449.09564	0.7
455.10724	9.8
458.07251	3.7
473.11752	5.7
477.03732	0.8
555.06934	1.5
635.16876	12.1
671.18402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01869	0.8
55.05502	1.2
57.03428	0.7
57.07074	0.4
65.03951	0.3
67.05489	1.3
68.99800	1.0
69.03062	0.4
69.03422	4.6
69.07069	1.6
71.04987	12.7
73.02921	0.3
77.03915	0.3
79.05483	2.0
81.03410	6.9
81.07054	3.9
83.04954	0.3
83.08617	1.1
85.02898	2.7
85.06538	0.5
86.09672	0.3
91.05470	4.7
93.03396	0.4
93.07036	3.4
95.04974	1.4
95.08598	4.7
97.02890	1.4
97.06577	0.2
97.10172	0.7
99.04446	35.8
99.08077	0.3
101.47754	0.2
103.05450	1.2
105.07020	50.6
106.07333	0.4
107.04954	0.8
107.08591	2.4
109.02869	3.4
109.06484	1.3
109.10129	2.0
111.00810	1.3
111.04456	0.3
111.08080	0.2
111.11696	0.4
115.03838	0.2
115.05430	0.6
117.05476	0.7
117.06992	0.8
118.07795	0.3
119.04932	0.6
119.08571	3.0
121.02862	1.4
121.06495	4.3
121.10151	0.7
123.04428	0.5
123.08052	4.6
123.11680	2.2
127.03910	4.4
128.06210	1.6
129.06950	0.4
130.07724	0.3
131.04903	0.3
131.08580	1.7
132.05664	0.2
133.02884	0.3
133.06491	6.8
133.10120	33.6
135.04402	0.3
135.08014	0.4
135.11681	1.1
137.02328	11.0
137.03349	0.4
137.05949	0.8
137.09589	0.3
137.13251	0.3
143.08546	3.5
145.04919	0.3
145.06416	0.7
145.10100	2.7
146.07259	3.3
147.08070	0.6
147.11656	0.2
149.01276	0.2
149.02353	1.2
149.13271	0.5
150.99669	0.2
151.03883	0.4
151.07515	2.9
151.11165	1.6
151.14778	0.4
153.01811	4.1
153.02963	0.4
155.04927	0.3
159.08043	0.7
161.09602	70.2
162.09891	0.4
163.03891	1.2
163.11166	13.9
165.01799	2.1
165.16376	0.4
171.02872	0.8
171.08087	0.4
173.06000	0.5
174.06793	0.5
179.10652	32.8
180.10942	0.3
183.02888	0.8
183.04337	0.2
183.17482	0.2
187.03877	0.5
189.09091	9.3
191.07036	0.3
199.03893	0.3
201.05469	1.8
205.04900	0.3
207.10149	11.7
219.02837	0.6
225.11160	0.8
229.04924	4.6
235.05882	0.3
247.05986	0.7
257.04404	3.6
261.03931	0.3
271.65680	0.3
274.04599	0.9
281.28433	0.5
285.03903	1.3
293.28397	1.0
303.04962	100.0
304.05283	0.8
305.13797	0.5
309.13080	0.3
311.29544	1.3
323.14841	0.3
333.13297	0.8
345.05869	0.8
351.14349	9.9
369.15417	7.5
447.57251	0.2
671.28180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
53.03941	3.7
55.01862	1.4
55.05505	17.6
57.03426	2.3
57.07068	13.1
59.04997	1.3
61.02914	2.4
63.32615	0.8
67.05496	25.6
69.03427	9.8
69.07063	53.7
70.06571	1.1
70.22125	2.9
70.22533	1.6
71.04980	4.0
71.08624	6.8
73.02884	1.8
73.06543	0.8
77.03943	0.8
79.05477	8.3
81.03424	8.0
81.07050	96.1
82.07381	1.2
83.04977	1.4
83.08609	30.0
83.09108	1.8
85.02412	1.8
85.02899	28.6
85.06532	13.5
85.10167	2.7
87.00814	4.0
87.81069	0.9
91.05453	5.6
93.07032	19.5
95.04965	2.8
95.08600	100.0
96.08931	1.6
97.02882	7.7
97.06518	3.2
97.10163	21.9
98.20875	1.5
98.21395	1.2
99.04443	4.2
99.08073	9.6
105.01859	3.1
105.07030	9.5
107.08581	23.2
109.02870	8.4
109.10147	63.9
111.08073	2.2
111.11708	19.0
113.09624	3.2
115.11182	1.2
117.06974	2.6
119.08564	12.0
121.10129	11.8
123.04417	1.5
123.08057	1.0
123.11699	32.3
124.12029	1.5
125.09621	2.6
125.13255	11.0
127.03916	14.3
127.11178	9.8
129.05539	1.0
129.06995	1.4
129.12753	3.3
129.85887	0.8
131.08545	6.2
133.10141	5.0
135.11676	11.4
137.05972	2.2
137.13234	21.8
139.11110	1.2
139.14839	2.6
143.08530	1.9
143.14313	4.8
145.04947	6.7
145.10100	9.8
147.04437	1.3
147.08066	1.0
147.11687	4.9
149.09543	1.0
149.13237	22.1
151.03967	1.2
151.14804	25.9
153.11670	1.0
153.12724	6.0
153.16423	1.1
155.14291	4.6
156.09348	1.1
157.10130	3.4
157.15909	2.0
159.02803	2.2
159.11728	6.1
161.09552	1.9
161.13248	2.7
163.05986	1.3
163.14804	13.4
165.09166	1.1
165.16383	13.9
167.07085	1.8
167.14302	3.4
169.10114	1.6
169.15851	5.7
171.11655	2.3
171.13791	2.1
173.13249	7.7
173.15396	1.0
175.14790	2.8
177.16397	4.2
179.17926	6.5
183.11700	1.5
183.17447	3.0
185.13261	3.3
187.14780	7.8
189.16425	2.5
191.17984	3.3
193.19513	3.7
197.18976	2.0
199.14789	3.4
199.20534	1.8
201.16353	11.9
203.14311	2.1
203.17964	2.1
205.15958	1.2
205.19508	4.0
207.21072	1.6
211.14835	1.3
211.20607	1.8
213.03951	0.9
213.16373	1.6
215.18039	1.9
219.21104	3.7
221.15295	1.9
223.20573	1.9
231.05009	2.5
233.22537	1.4
237.22148	2.7
239.23769	2.9
249.25777	2.5
263.27521	1.3
275.27310	14.4
281.28363	12.1
293.28351	42.4
294.28784	1.4
299.29398	1.1
303.05078	1.1
303.08344	1.2
311.23987	1.3
311.29425	32.7
329.30515	14.9
387.30161	1.0
401.30109	1.1
405.31580	7.2
419.31378	1.3
423.32669	12.0
465.33377	1.1
619.43768	0.9
638.54602	1.0
671.38751	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	672.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
54.74764	0.4
55.01854	0.8
55.05500	6.6
57.03429	4.6
57.07066	1.0
57.22681	0.5
59.04982	0.6
61.02899	0.9
65.03920	0.9
65.98045	0.4
67.00885	0.4
67.05494	27.2
69.03409	0.9
69.06714	0.6
69.07059	8.4
69.07406	0.9
70.33696	1.7
71.01331	0.5
71.04972	2.0
73.02869	0.6
73.06516	0.7
79.05481	28.6
81.03413	2.8
81.07043	30.0
83.04968	5.4
83.08602	5.9
85.02891	1.4
85.06522	1.8
91.03964	0.5
91.04885	0.6
91.05465	19.0
93.07028	35.5
95.04959	9.1
95.08589	11.9
97.02888	1.0
97.06517	4.8
97.10154	1.4
98.21165	0.9
99.04408	0.8
99.08089	0.8
105.04472	1.1
105.07014	13.8
107.04955	2.0
107.08577	14.1
109.06506	2.3
109.10161	2.2
111.08050	2.7
113.09651	0.5
115.05441	0.5
117.06992	4.8
119.08562	7.9
121.06489	1.6
121.10126	6.4
123.08059	1.9
123.11695	0.7
125.09608	0.6
127.07562	0.6
128.06227	0.8
129.06989	5.6
131.08578	2.5
133.06450	0.4
133.10095	4.8
135.08041	0.9
135.11710	3.1
137.87000	0.6
139.11143	1.1
141.72198	0.5
143.08543	3.1
145.10114	3.3
147.08005	0.8
147.11678	12.3
149.13248	9.0
151.11183	0.5
156.09279	0.5
159.11656	3.6
161.09616	1.4
161.13210	3.9
163.11147	0.5
171.11673	8.2
177.12677	2.3
186.11537	0.5
189.12727	3.5
195.13779	2.6
207.13770	8.3
247.11905	0.5
269.17441	22.9
281.17429	21.2
457.28888	0.7
475.30478	100.0
476.30920	1.9
645.29547	0.6
672.26593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79715	0.5
53.03928	0.9
55.05506	5.3
56.17387	0.5
57.03439	3.3
57.07071	36.2
61.02920	14.2
67.05157	0.9
67.05495	12.4
69.03405	2.0
69.07063	8.1
71.04974	1.2
71.08624	30.4
73.02906	5.1
75.04463	2.2
79.05470	3.4
80.05811	0.6
81.03410	3.4
81.07047	17.9
81.96806	0.5
82.03761	0.5
82.07372	0.8
83.08611	11.1
85.02897	17.6
85.10175	16.4
87.04436	0.5
89.06019	0.9
91.03946	13.4
91.05477	3.6
93.07034	4.2
94.07364	0.6
95.04933	2.2
95.08597	23.7
96.08978	0.7
97.02882	8.0
97.06529	0.9
97.10157	6.4
99.04415	1.0
99.11731	1.6
105.07021	2.7
106.15125	0.5
107.04951	1.1
107.08582	1.7
109.02870	0.8
109.10146	11.4
111.08050	0.7
111.11707	1.6
115.03914	0.9
117.06990	1.8
118.07365	0.6
119.08559	2.0
121.06486	0.6
121.10179	0.8
123.11689	5.3
125.13279	0.6
127.03905	6.4
128.06212	0.6
131.08557	1.4
133.10120	1.0
135.11673	0.5
137.13251	1.3
143.08557	0.8
145.04930	8.0
145.10077	1.1
147.11700	1.0
151.14786	0.6
157.10023	0.6
163.06000	13.6
165.16393	0.6
171.11559	0.7
187.11075	0.6
221.22546	0.9
239.23672	19.3
257.24734	4.0
298.27377	1.2
313.27332	100.0
314.27643	2.3
320.15546	0.8
331.28387	48.3
332.28607	1.5
335.25748	0.7
566.23700	0.8
612.26819	0.6
618.28363	0.6
636.39569	1.1
640.27875	1.2
654.39996	1.7
672.29852	5.5
672.41644	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	673.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.0
54.30759	2.0
55.01866	7.5
55.05502	25.9
57.03426	8.9
57.07077	2.3
64.56352	1.9
65.03940	5.8
67.05496	79.4
69.03420	32.3
69.07062	28.3
71.01350	2.6
71.04979	6.5
71.36353	2.4
71.36692	3.5
73.45964	2.1
79.05483	61.3
81.03405	27.5
81.07046	100.0
83.04966	10.3
83.08604	17.8
85.02896	4.9
85.06536	5.3
86.09732	3.1
91.05471	56.0
93.07035	67.5
94.07384	2.6
95.04954	27.4
95.08600	44.7
97.02904	6.6
97.06490	12.4
97.10151	5.1
98.21252	2.5
99.00155	1.8
99.04422	2.6
99.08110	2.5
105.07019	37.1
107.04952	9.0
107.08575	39.1
107.09275	2.5
109.02874	4.1
109.06490	16.2
109.10136	16.7
109.75733	2.0
111.04433	7.3
111.08078	7.3
113.06022	4.6
114.36379	2.3
114.37203	2.0
115.05508	2.6
116.06287	2.6
117.07014	21.1
119.04986	2.8
119.08573	28.6
121.06530	5.4
121.10125	25.4
123.08077	6.6
123.11701	5.2
124.99988	1.8
125.09660	3.3
127.03917	2.7
128.06194	3.3
129.06952	10.0
130.07802	2.1
131.08566	22.6
133.06534	5.4
133.10114	24.3
135.08052	12.4
135.11671	16.0
137.09669	2.5
142.07858	3.1
143.08580	8.5
145.06534	2.7
145.10103	19.0
147.08058	9.8
147.11702	10.9
149.09634	4.4
149.13234	14.6
149.99579	2.0
151.11147	2.2
153.06993	1.9
154.73859	1.8
155.08525	4.4
157.10085	12.8
159.08049	3.1
159.11667	18.5
161.09636	6.0
161.13286	4.3
163.11198	4.7
165.12790	3.2
167.08499	3.1
169.10164	6.4
171.08083	3.2
171.11649	10.8
173.09641	4.1
173.13226	9.1
174.24553	1.8
175.11192	1.9
177.12762	7.1
183.11720	5.6
184.07330	15.1
185.13284	6.4
189.11217	2.6
189.12782	2.5
191.14355	2.6
193.12392	2.7
195.11856	3.8
195.13914	8.4
197.13260	2.2
199.14922	2.4
201.12769	2.3
213.12959	2.6
217.15945	3.2
227.18124	2.0
237.16574	2.7
259.20609	3.7
261.22202	3.4
269.17419	15.6
273.18640	8.1
275.20258	5.7
277.21771	2.5
289.21417	1.9
291.19498	28.4
301.21783	5.1
319.22656	3.8
327.23212	2.1
335.25839	2.9
339.17987	3.6
341.24911	2.9
347.22278	3.4
351.23264	7.9
365.23276	7.3
369.24374	10.5
371.26358	2.6
387.25531	8.2
395.20572	2.4
405.26221	2.4
417.09244	2.2
443.28226	3.9
461.28995	7.1
529.38647	4.4
545.35773	2.3
563.37122	3.4
637.40759	10.3
640.01776	2.5
653.23999	2.5
655.42078	21.0
656.41803	2.3
673.43079	64.9
674.43524	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	675.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.3
59.84742	0.2
63.30084	0.2
66.01780	0.2
70.89048	0.5
70.89404	0.3
74.80235	0.2
79.05506	0.2
81.07037	0.5
83.04979	0.2
85.02907	0.3
93.07061	0.3
95.04936	0.2
97.02864	0.3
109.13840	0.2
149.69429	0.2
166.72458	0.2
211.13321	0.2
372.30582	0.3
374.24884	0.3
429.15790	0.4
430.16470	0.5
440.14215	0.4
441.15027	0.3
443.17114	0.5
444.18146	0.8
445.18631	0.6
454.16605	0.8
455.12958	0.5
456.13446	0.3
457.14633	0.4
458.19540	0.3
467.12891	0.5
467.18082	0.5
468.13446	1.5
469.14716	6.1
470.15466	1.7
471.16220	1.2
472.17535	0.5
475.20142	0.3
480.14346	0.7
481.14777	1.9
482.15765	7.5
483.16562	8.5
484.17642	1.5
485.18976	1.2
486.18878	0.3
487.15796	0.3
495.16595	3.5
496.17352	5.1
497.18170	28.3
498.18652	3.8
499.20337	0.6
500.17062	0.6
501.17581	0.6
509.13766	0.4
510.19183	1.7
511.19659	3.6
512.20258	1.5
513.17798	0.6
514.18732	0.3
515.19257	2.3
516.19659	0.4
523.17163	0.4
525.17780	0.3
528.15979	1.3
529.16730	0.4
537.17853	0.3
538.20331	1.0
539.20483	0.2
541.17523	0.7
542.17993	1.6
543.18408	0.4
546.16998	0.3
555.18506	4.4
556.19226	3.0
557.20172	3.3
569.20038	0.6
571.21698	0.5
573.22699	0.9
583.21576	0.4
585.23340	0.3
601.22144	0.3
613.22009	0.3
616.21216	1.2
617.22455	1.3
625.23145	0.3
627.22455	0.3
629.22113	0.5
643.23938	6.2
644.24683	6.9
645.22821	1.3
657.25568	5.2
658.25647	0.4
660.24664	1.6
675.26495	100.0
676.26654	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	675.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30896	0.2
67.05494	0.5
69.07043	0.3
70.03084	0.2
79.05454	0.3
81.07039	0.6
85.02869	0.3
91.05490	0.4
91.88468	0.2
93.07047	0.4
95.04964	0.4
98.21590	0.4
98.38596	0.2
105.07037	0.3
107.08593	0.3
113.72849	0.2
115.55383	0.2
119.08578	0.3
144.41130	0.2
157.10033	0.2
168.62852	0.2
170.66188	0.2
175.18684	0.2
399.14917	0.3
400.15649	0.4
402.17068	0.2
413.16138	0.7
414.17191	0.5
415.18176	0.3
416.14545	0.3
427.18100	0.4
428.18817	0.4
429.15189	1.0
430.16467	0.7
432.19006	0.3
439.13773	0.6
440.14175	0.3
440.19186	0.4
441.20111	1.0
442.16782	0.7
443.17462	1.2
444.17929	1.4
445.18741	2.4
452.14819	0.3
453.15536	0.5
454.16647	0.3
455.17371	0.7
456.14380	0.8
457.14996	1.7
457.19565	0.7
458.20303	0.3
467.18402	1.4
468.14105	0.8
468.18561	0.5
469.13889	1.8
469.19681	0.6
470.15277	1.5
471.16278	2.9
472.17255	1.0
479.29794	0.3
480.13828	1.4
481.14764	2.6
482.15582	2.0
483.16592	3.6
484.17212	0.9
485.18402	3.3
486.18964	0.6
494.15381	0.4
495.16571	8.3
496.17358	4.4
497.18207	9.9
498.19089	1.8
499.19748	0.8
500.16882	1.0
502.18610	0.4
503.19501	0.3
509.18356	0.4
510.18954	0.5
511.19885	0.9
513.17542	2.2
514.18896	0.4
515.19531	1.2
523.17041	0.4
525.17255	0.3
527.19312	0.5
528.16217	0.4
529.20813	0.9
530.21460	0.3
531.18829	0.6
536.19446	0.5
542.18402	0.5
545.23718	0.3
547.21759	0.3
555.18628	9.9
556.19733	1.0
557.20654	0.9
558.19275	0.3
573.23938	3.2
583.21814	1.4
584.22510	0.3
585.22906	0.7
596.21429	0.5
601.23041	0.5
617.22235	2.3
627.20166	0.4
629.22064	0.3
642.23706	0.3
643.23895	4.8
644.24634	1.3
645.22089	2.4
657.25354	0.5
660.24164	5.0
675.26514	100.0
676.26685	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	675.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03180	0.9
53.03927	1.4
54.06741	0.8
55.01853	2.2
55.05500	10.0
56.75172	0.8
56.96544	1.2
57.03429	6.7
57.07072	1.4
59.07355	0.8
61.02915	17.4
65.03934	2.0
67.05164	1.5
67.05494	20.6
69.03410	6.1
69.07066	8.0
71.04980	2.9
71.13486	1.8
73.02913	6.0
77.03922	0.9
79.05480	28.7
81.03388	6.2
81.07044	26.5
82.31380	0.9
83.04948	1.9
83.08599	5.3
85.02900	18.0
85.03409	1.3
85.06502	1.9
86.09682	1.2
91.03944	14.1
91.05470	26.1
93.07032	39.9
95.04945	5.6
95.08595	18.5
97.02881	10.9
97.06507	3.3
97.10107	1.4
99.04429	2.0
99.08088	1.9
105.07017	26.9
107.04924	2.3
107.08580	20.2
109.02824	1.9
109.06473	2.7
109.10145	9.8
111.08061	1.6
117.06994	8.8
117.67072	0.9
119.08563	23.2
121.06492	2.4
121.09296	1.7
121.10131	19.7
121.15879	0.9
123.04469	1.0
123.07998	2.0
123.11681	2.8
125.09479	1.0
127.03922	4.8
128.06145	1.3
129.05473	1.8
129.07008	5.4
131.08553	15.1
133.06511	1.6
133.10118	19.9
135.08018	1.8
135.11671	15.8
137.09587	1.5
139.03871	1.5
141.06934	1.1
143.08543	7.6
145.04929	5.8
145.06407	1.0
145.10094	13.9
147.07936	1.2
147.11668	19.3
148.07620	1.1
149.09576	3.6
149.13239	9.1
151.11165	1.2
155.08498	2.3
157.06462	1.0
157.10103	7.0
159.08054	1.7
159.11665	10.8
161.09610	1.3
161.13232	15.6
163.05994	6.2
163.11159	1.8
163.14783	4.7
165.12674	1.1
169.10097	2.6
171.08044	1.2
171.11662	8.7
173.13243	6.9
175.11162	1.9
175.14809	7.9
177.12712	1.9
179.14247	1.1
183.11658	1.1
184.07304	3.6
185.13176	7.3
187.11153	1.4
187.14801	1.6
189.12766	1.0
189.16377	1.3
192.81578	0.9
195.11787	1.4
197.13127	1.3
197.75951	1.0
199.14844	4.9
201.12822	0.9
203.14291	1.3
203.58734	1.0
205.10101	1.0
209.09508	1.1
211.11206	1.2
211.14987	1.3
213.16264	2.1
215.17857	1.2
217.15727	1.4
217.19476	3.4
231.17365	2.2
231.21065	3.8
241.15765	1.2
241.19482	17.1
257.18985	1.4
259.20532	39.4
267.15817	0.9
269.17581	0.9
271.20450	1.1
275.20038	1.8
277.21671	6.9
283.20596	1.4
285.10327	1.2
291.19638	1.5
301.21527	3.3
307.94528	0.9
325.21713	1.5
332.36130	0.9
333.24261	9.5
339.23270	1.2
345.94150	1.1
349.20767	0.9
349.23941	2.4
351.25256	100.0
352.25565	2.5
357.15479	1.5
361.23578	1.3
363.25241	2.8
367.22565	3.1
367.65015	0.9
375.25171	5.1
385.23578	3.0
387.25092	1.5
393.26096	1.7
403.24762	2.2
417.26270	3.7
423.25012	1.3
429.26346	2.1
441.26379	10.4
459.27408	8.8
477.28421	9.0
495.29465	14.0
513.29254	1.3
631.88922	1.0
675.38971	3.7
682.01727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3955
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
53.03900	0.5
55.01831	0.8
55.05448	2.4
57.03382	0.8
58.99828	0.9
61.02874	0.6
67.05432	3.2
69.03390	0.8
69.07058	6.2
71.04957	1.1
71.44090	1.2
77.00900	6.3
78.16615	0.5
79.05493	4.1
81.03352	1.8
81.07042	4.1
82.07313	0.7
83.04910	1.3
83.08533	1.6
85.02837	1.8
85.06474	0.6
91.05478	3.0
93.07044	3.7
94.07311	0.7
95.01935	4.8
95.04888	1.5
95.08527	2.0
97.02850	0.6
97.06474	1.1
97.10104	1.4
100.02424	0.6
105.07007	2.7
105.07545	0.6
107.04895	1.1
107.08601	2.5
107.09145	0.5
109.06389	0.7
109.10082	1.6
111.04364	0.7
115.02319	0.6
117.06997	1.1
118.03452	0.9
119.08462	1.7
120.08052	0.6
121.06442	1.1
121.10067	1.3
123.07989	0.8
123.26591	0.5
125.09599	0.8
127.03888	0.7
129.03908	1.6
129.06963	0.8
131.05447	1.9
131.08450	1.4
133.03433	0.8
133.10048	1.8
135.04892	0.5
135.07974	0.8
135.11627	0.7
141.03899	0.6
143.05505	0.8
143.08456	1.3
145.10023	1.0
147.05002	1.2
147.08066	0.5
147.11627	0.6
147.20258	0.5
148.07484	1.0
149.06667	2.4
149.09648	0.8
153.01707	0.8
153.03864	0.7
153.05296	0.6
155.05484	0.6
157.09998	0.8
159.04903	0.6
159.11577	0.9
161.06628	1.0
161.09517	0.6
163.08060	0.9
167.05482	0.6
169.03346	0.7
169.07039	1.4
169.10188	0.5
171.04968	1.4
173.06497	1.9
175.08133	0.8
177.09608	0.5
181.06976	0.9
183.08589	0.7
184.07368	0.5
185.06551	1.2
185.10153	2.2
187.08144	2.9
189.11079	0.9
191.07529	1.7
195.08635	1.2
195.12198	0.5
197.06558	0.8
197.10164	1.4
197.13127	0.6
199.08060	1.7
199.11807	0.7
201.09702	5.8
203.07562	1.2
203.09317	1.2
203.11208	4.2
205.09055	1.6
207.08652	0.5
209.10056	0.8
211.08154	5.7
213.09695	3.4
213.13348	1.2
215.09244	0.9
215.11253	8.6
219.08795	0.5
219.10704	5.1
219.14317	0.5
221.10092	4.4
223.08205	0.6
223.11758	3.2
224.11328	0.6
225.09731	2.4
227.11157	3.8
229.09230	4.1
231.10643	1.4
231.14354	5.9
233.10184	0.9
233.12262	3.1
234.09720	0.9
235.11679	1.4
237.09729	1.0
238.13000	0.8
239.11244	43.9
240.11311	1.2
241.12843	3.6
242.12387	0.6
243.10728	1.8
243.14400	1.2
245.12332	3.5
249.09706	3.3
251.11183	2.4
253.12796	6.1
254.15952	0.6
255.14371	0.5
257.12317	59.1
257.59143	0.5
258.12546	3.3
261.09671	1.0
262.10486	0.8
262.12863	8.6
267.10815	6.0
269.12360	4.5
271.13876	6.4
275.14880	0.7
275.19998	0.8
276.14264	1.0
279.10690	5.4
279.14142	1.0
280.11292	1.6
280.13962	3.3
281.12305	1.4
285.11826	4.3
285.16772	0.7
289.12772	0.5
289.16422	1.4
291.19492	1.2
293.16132	0.8
297.11847	3.3
297.14774	0.6
298.12482	0.8
301.16324	1.0
302.04214	0.7
302.12424	1.2
303.04749	0.9
305.19598	0.9
307.14008	0.7
307.17474	3.6
313.16446	7.5
314.16769	0.6
321.19110	0.7
331.17484	32.7
332.17789	1.6
336.18155	0.7
349.18561	100.0
350.18811	4.5
351.57840	0.5
354.19028	3.7
367.19620	46.5
368.19705	1.5
372.20154	11.7
386.24042	0.9
390.21204	12.4
391.21594	0.6
459.27130	0.8
460.27643	4.1
461.28076	0.6
477.28503	1.5
478.28842	4.1
495.16556	1.5
503.28653	0.8
512.79724	0.6
513.17676	1.3
521.29425	0.6
629.26898	1.1
639.37317	8.2
639.47479	0.4
657.27350	0.8
657.38428	15.5
658.38361	0.8
675.39490	41.0
676.39325	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	676.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18828	0.6
53.03937	2.8
55.01860	2.7
55.05255	0.9
55.05506	15.0
57.03432	14.8
57.07061	1.0
57.23646	0.6
59.04994	1.3
61.02909	4.4
61.84486	0.6
65.03930	1.6
67.05497	47.8
69.03414	2.6
69.07062	13.7
69.50687	6.2
69.52426	0.7
71.04983	6.4
73.02908	2.6
79.05483	33.1
81.02915	1.0
81.03409	50.8
81.07047	59.0
83.04974	15.9
83.08618	24.3
85.02895	22.6
85.06542	4.1
91.03955	1.5
91.05473	28.7
92.42726	0.7
93.07032	37.8
93.49742	0.7
95.04954	23.4
95.08593	17.3
95.09149	1.4
97.02868	4.5
97.06526	8.5
97.10139	3.5
98.20734	1.3
99.04474	1.0
99.08077	2.3
105.07018	18.4
107.04945	5.5
107.07851	1.2
107.08581	21.4
109.06516	4.2
109.10154	3.4
111.04440	2.3
111.07337	1.2
111.08070	13.2
113.05984	2.6
115.05437	0.9
117.07005	5.4
119.08571	13.7
121.06487	1.8
121.10129	17.1
123.08042	2.2
123.11687	2.4
125.09590	1.3
129.06995	8.9
131.08545	13.2
133.06505	2.0
133.10129	13.3
135.08069	1.4
135.11682	4.5
137.09630	1.2
142.07753	2.7
145.04884	0.7
145.10039	1.4
147.08017	2.1
147.11682	10.8
149.09602	4.9
149.13243	17.0
155.52641	0.7
157.10123	11.5
159.11681	7.6
165.12749	2.8
175.11156	12.4
177.12753	3.6
193.12225	33.6
195.13817	7.3
211.13261	42.1
212.11629	0.6
212.13577	0.9
213.14897	1.2
255.18617	0.7
267.15897	29.3
269.17450	59.6
270.17853	1.6
285.16919	34.0
286.17313	1.1
375.87250	0.7
429.63467	0.8
435.27466	1.9
443.28452	1.1
461.28931	59.5
462.29156	2.0
479.29993	100.0
480.30170	4.0
698.56451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57105	0.6
55.01828	0.6
56.96557	12.4
57.03406	1.5
60.87759	0.7
61.02891	1.1
64.49276	0.6
68.96549	0.7
69.03418	3.3
70.06571	0.6
70.91276	1.3
70.91611	1.2
71.04954	1.1
73.02898	1.5
74.97564	1.1
81.03384	0.9
84.96029	4.8
85.02434	0.7
85.02894	9.7
85.06467	1.0
91.03906	1.0
97.02874	4.2
98.97571	49.3
101.00897	0.7
102.97025	1.0
109.02856	0.9
110.97534	5.4
112.99104	1.7
116.98611	45.3
119.01926	5.4
120.01945	0.7
121.01609	1.9
123.04453	0.7
127.00645	1.5
127.03889	4.2
128.97673	0.9
128.98596	16.0
131.00180	4.7
131.01819	2.9
133.01599	0.6
133.03407	1.7
134.99646	26.6
135.04369	1.5
137.01900	1.1
137.02885	1.2
139.00781	1.0
139.03827	2.5
140.00101	1.8
140.31998	0.6
140.98552	1.3
143.00168	6.7
143.01888	4.6
144.01877	1.3
144.97995	1.3
145.01718	6.4
145.03430	2.1
145.04887	2.4
146.99646	17.9
147.03145	1.4
147.04318	1.5
149.01204	4.9
152.98616	0.8
153.00644	2.3
155.01875	5.9
157.01685	1.4
157.03424	2.1
158.01233	1.5
158.02412	1.1
158.99626	22.1
159.04982	0.9
161.01170	15.2
161.02902	6.8
162.03020	1.5
162.99123	1.9
163.02701	13.0
163.03909	4.9
165.00732	3.1
166.01212	0.6
167.02098	2.0
169.01694	1.8
169.03348	1.1
170.99631	12.7
171.03165	0.7
171.04982	0.9
173.01186	4.7
173.02902	8.3
174.03093	1.2
175.02687	3.6
175.04482	1.7
177.00691	33.0
179.02208	4.8
181.03740	2.3
182.03339	0.9
182.99593	3.8
183.01286	0.9
183.05006	1.0
185.01164	3.7
185.02945	6.7
185.06444	1.1
186.04417	0.9
187.02722	7.5
187.04335	1.4
187.06238	1.0
189.00699	18.6
189.04353	3.3
189.05885	0.9
190.02351	0.7
191.02234	6.8
193.03738	0.8
195.00072	0.6
195.01645	4.1
197.01169	2.1
197.02979	3.2
199.02818	1.6
200.02245	1.8
201.00671	22.6
201.02547	1.1
201.04288	1.0
203.02307	3.8
203.03940	3.9
203.07594	0.8
205.03751	6.8
205.07336	0.7
207.01724	4.7
207.05247	1.0
209.03253	1.4
211.02737	1.5
212.02455	1.2
213.00642	2.0
213.04146	0.9
214.82471	0.8
215.02225	6.7
215.04031	1.6
215.07477	1.3
217.03824	2.5
218.03717	0.9
219.01746	60.0
220.01979	0.8
221.03001	2.3
221.05026	6.6
222.05186	2.1
223.02788	3.3
223.04834	5.9
225.02643	1.4
227.02043	1.3
227.04037	1.9
229.03822	2.8
231.01767	3.1
231.05238	1.1
231.07201	1.1
233.03322	7.9
233.06924	1.4
233.52786	0.9
233.55122	0.8
233.99413	0.7
237.02795	92.4
238.03365	1.0
239.04086	0.9
241.03712	2.4
242.03334	3.4
243.01778	6.1
243.05312	0.7
245.05159	15.1
246.05246	1.9
246.96664	0.6
247.04701	5.5
248.04913	0.8
249.02795	1.8
251.04451	4.0
255.01714	1.1
255.03920	10.2
257.04886	1.9
259.06689	2.1
260.04468	4.4
261.02792	30.3
263.03900	1.3
263.06149	2.1
265.06006	1.1
271.04770	1.2
273.02728	1.6
273.08197	2.3
275.03952	7.2
275.08566	0.8
277.07794	1.1
279.00858	1.5
279.03854	23.7
280.04495	1.1
281.07266	0.8
284.56439	0.8
287.09613	1.9
288.09924	1.3
289.05920	20.7
289.09576	7.1
291.03799	7.6
293.05292	4.1
297.06146	0.6
299.04410	1.3
302.05475	1.7
303.03687	1.1
305.05286	2.3
305.07529	1.6
305.10254	3.2
306.11182	1.2
307.07004	36.8
307.10593	4.4
309.04916	6.5
317.05377	8.1
317.08801	0.6
321.04926	12.8
321.10413	4.5
323.06342	3.1
323.09976	1.5
325.08124	1.0
330.08432	3.1
332.06226	0.7
333.04880	1.9
333.10324	2.4
334.10675	3.4
335.06506	48.8
335.10175	13.3
336.06906	0.9
337.04935	0.7
343.06744	0.9
349.07889	2.8
351.05856	4.3
353.07501	100.0
358.07864	2.2
359.06567	0.8
362.09903	1.2
363.05966	3.3
365.09448	6.4
367.09149	2.1
371.08575	7.1
376.09048	8.8
377.07443	3.4
381.07062	13.6
395.08493	35.0
396.08978	0.9
399.08115	10.9
407.08948	1.4
409.10202	1.8
422.09766	1.2
423.08041	10.1
425.09619	11.2
437.10703	2.9
439.07175	0.9
441.09082	15.8
455.10635	11.4
467.10742	2.6
471.10248	3.3
479.10620	5.7
497.11728	16.6
515.12903	18.5
543.11816	1.5
557.14246	1.2
587.15070	0.9
617.16321	0.9
641.17206	1.5
659.16278	1.2
677.18042	61.3
678.18091	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.8
53.03929	2.5
55.01856	1.7
55.05501	13.1
57.03434	6.0
57.07054	2.6
61.02634	1.5
61.02916	16.6
65.03918	1.8
67.05494	79.6
68.05814	1.3
69.03418	4.2
69.06714	1.2
69.07057	14.3
69.44018	4.5
69.44444	3.8
71.04978	2.2
71.08606	1.4
73.02895	6.8
73.52692	0.8
77.03905	1.1
79.05478	37.3
81.03411	2.4
81.07043	88.9
82.07345	1.0
83.04962	2.0
83.08600	10.2
85.02426	1.1
85.02895	18.3
85.06533	2.6
87.74683	1.0
91.03938	19.3
91.05465	22.4
92.18665	0.9
93.07028	55.7
95.04945	6.0
95.08587	63.7
96.08947	1.1
97.02882	10.5
97.06509	4.1
97.10169	4.2
98.20760	1.5
98.21418	1.8
99.04423	1.8
99.08081	2.6
99.15345	0.9
101.02343	0.9
105.06297	0.9
105.07006	18.6
107.08578	34.9
107.21560	1.0
109.02812	1.1
109.06509	2.7
109.10138	36.6
111.08046	1.8
113.09597	1.6
115.03926	1.1
117.06979	9.0
119.07780	1.4
119.08566	15.6
121.06472	1.4
121.10121	37.1
123.08049	1.6
123.11694	20.1
125.09580	1.7
127.03899	6.9
129.06894	1.3
131.08542	20.1
133.10110	14.8
135.11673	26.4
137.09579	1.8
137.13226	8.5
139.11084	2.3
145.04929	9.2
145.10101	16.0
147.11650	12.5
149.09636	1.5
149.13231	23.1
151.11180	2.5
151.14807	2.6
153.12740	1.6
157.10057	1.0
157.12262	0.8
159.11679	15.0
161.13217	12.6
163.05991	12.7
163.11139	1.8
163.14790	15.4
165.12767	3.3
167.14215	1.1
173.13223	16.6
175.14807	4.7
176.07646	0.8
177.12685	1.4
177.16344	6.3
179.14278	1.8
187.14775	9.3
189.16394	1.1
201.16299	3.5
205.15770	1.1
215.17961	1.1
219.17493	1.1
223.16632	1.2
233.22591	3.8
243.15839	1.1
243.21053	35.3
244.21233	1.9
261.22101	100.0
262.22586	2.3
263.23657	2.0
279.23099	4.9
317.24637	1.0
335.25729	34.0
336.26163	1.2
353.26819	40.5
354.27505	1.0
384.09097	1.0
466.57431	1.0
479.29941	1.4
497.31171	7.1
677.34979	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	678.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05017	0.7
58.06329	0.1
58.06595	0.3
59.07359	0.2
60.08157	6.0
67.05492	0.5
69.03423	0.3
70.06596	0.2
71.04984	0.4
71.07357	2.9
71.18370	0.5
79.05481	0.4
81.03407	0.6
81.07049	0.6
83.08608	0.2
85.02917	0.9
86.09696	31.5
91.03951	0.3
91.05485	0.8
93.07040	0.5
95.04971	0.4
95.08608	0.4
97.02902	0.2
98.98453	2.2
99.04446	0.2
102.03867	0.2
104.10732	2.9
105.07013	0.7
107.08615	0.2
109.02855	0.2
117.07018	0.2
119.08570	0.5
121.10190	0.2
123.04439	0.2
124.99992	20.8
129.06961	0.2
131.08542	0.4
133.10106	0.6
136.07616	0.2
137.05951	0.2
139.03838	0.1
143.01019	0.4
145.10205	0.2
147.04440	0.3
157.10132	0.2
158.75633	0.1
163.03894	0.2
166.02660	0.2
167.06976	0.2
176.79427	0.1
180.43190	0.1
184.07320	100.0
185.07605	0.4
187.62917	0.1
193.12169	0.2
195.54614	0.1
218.79411	0.2
267.15958	0.2
271.15268	0.2
285.10059	0.2
297.12204	0.2
303.04987	0.2
371.11285	0.3
374.14481	0.2
463.26477	0.2
468.23340	0.3
481.27768	0.3
600.25452	0.2
648.87488	0.2
660.34912	0.3
678.36072	11.7
679.36847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25335	0.7
56.96559	28.6
57.03431	0.7
61.02905	0.7
65.03884	0.5
69.03403	2.3
71.04948	0.8
71.30286	1.4
71.95236	0.8
72.87569	0.6
73.02891	0.9
74.97590	1.6
81.03400	0.9
84.96023	12.3
85.02498	0.5
85.02900	6.1
85.78001	0.6
91.03873	0.8
97.02885	2.9
98.97568	50.0
99.04395	0.7
101.00864	1.0
102.97060	2.7
109.02837	0.6
110.97533	8.0
112.99116	1.1
116.98606	50.6
117.03362	0.7
119.00137	0.6
119.01906	6.2
119.04924	1.1
120.98108	1.0
121.01633	0.8
124.99122	0.7
127.00650	0.9
127.03902	3.6
127.56262	0.5
128.97655	1.3
128.98595	25.2
131.00153	4.5
131.01842	1.8
133.01590	0.8
133.03462	1.0
134.99643	29.4
135.04376	3.3
137.02895	1.5
140.00146	2.3
140.98558	4.7
143.00159	9.8
143.01823	2.7
144.98074	1.1
145.01675	1.9
145.02676	1.3
145.03528	1.9
145.04945	1.5
146.02200	0.6
146.99637	33.4
147.03267	0.9
147.04358	5.5
147.07622	0.9
149.01204	7.2
150.99120	1.6
152.00246	1.0
152.98553	2.2
153.00638	2.7
155.00121	1.1
155.01859	2.2
157.01790	0.8
157.03468	3.3
158.01251	2.0
158.99634	28.8
161.01193	24.0
161.02885	4.3
162.99171	3.0
163.02725	2.1
163.03885	18.0
164.04242	1.1
165.00719	5.9
167.02126	1.7
169.00182	0.8
169.03392	1.1
170.01230	2.1
170.99631	25.4
171.04918	0.8
173.01210	4.4
173.02940	5.1
174.99162	3.4
175.00420	0.6
175.02722	2.5
175.04521	2.3
177.00705	34.3
177.02318	1.6
179.02275	5.6
181.01819	0.9
182.01151	1.1
182.03391	0.9
182.99599	12.5
183.92253	0.6
184.02788	1.3
185.01155	1.9
185.02914	5.8
185.19698	0.6
187.02742	1.2
187.04466	1.4
189.00691	45.7
191.02209	3.0
191.03804	1.4
193.00163	6.6
193.01740	2.4
193.03647	0.9
193.05490	1.2
194.99725	0.8
195.01773	4.1
197.03027	3.0
198.99170	0.9
199.02679	1.0
199.04350	0.7
200.02306	2.3
200.04117	1.1
201.00676	72.8
202.00938	0.9
203.02306	1.3
203.03990	2.9
205.01979	0.8
205.03760	1.7
207.01733	5.7
207.03320	1.2
209.01218	2.3
211.01039	0.9
211.02744	5.8
211.04750	1.9
211.06633	1.7
212.02284	3.7
213.00697	5.5
215.02202	1.2
215.04059	1.1
217.00291	3.9
217.05554	1.2
218.99736	7.5
219.01723	73.7
220.02205	1.1
221.01167	0.9
221.03102	1.2
221.05026	2.5
223.02834	3.0
223.04733	1.0
224.02240	4.1
225.00665	2.0
225.04236	3.8
227.02173	1.3
227.04095	1.3
229.00206	0.8
229.03699	4.3
231.01720	6.8
233.01227	1.8
233.03244	1.2
233.06688	1.3
235.01021	1.2
235.04652	0.9
235.06592	2.4
237.00652	48.2
237.02821	34.9
239.02116	1.0
241.03783	1.6
242.01306	0.7
242.03392	4.6
243.01723	25.4
245.05080	13.8
246.05188	1.3
247.01210	1.9
247.04503	1.1
247.06909	3.7
249.02730	1.7
249.08199	1.2
251.02240	8.4
251.07794	0.6
253.05650	0.8
254.03287	1.0
255.01718	77.8
255.03746	4.1
256.02185	1.9
257.04974	1.2
259.01123	0.8
259.06812	1.4
260.02249	2.8
260.04608	1.4
261.02795	88.9
262.03238	1.3
263.06076	1.7
264.57941	0.7
265.02371	1.6
265.05637	0.7
269.03308	12.4
271.06497	1.7
273.02780	100.0
274.03360	1.8
275.06100	1.0
276.99799	1.1
277.02643	3.6
277.05438	1.3
278.03232	5.2
279.03986	46.0
280.04132	0.8
281.07413	2.7
284.04379	2.3
285.02911	0.6
287.04370	4.3
291.00940	1.2
291.03879	15.6
292.04816	0.9
293.02805	3.7
295.00925	2.1
295.03949	4.6
296.04306	4.0
297.02740	41.9
302.05405	7.6
303.04037	0.8
305.03192	0.9
305.06995	1.2
307.09116	0.8
309.02448	1.4
309.05130	1.9
311.04233	10.6
313.02115	5.5
315.03925	11.6
319.03473	1.9
320.04572	3.3
321.04953	31.8
323.04266	1.1
323.10126	1.8
327.03943	5.1
331.03183	1.2
333.05322	5.2
334.06006	1.0
335.04330	0.9
336.06812	0.8
337.02304	7.9
337.10028	31.2
339.03699	4.6
345.05194	0.9
351.06229	10.8
353.05151	1.0
355.03336	15.2
355.09024	8.8
357.04974	1.3
359.04672	0.7
362.09842	3.5
362.59967	1.1
363.03445	3.5
365.09338	2.2
369.04910	2.0
373.04391	11.2
373.09534	1.7
377.05511	0.7
378.05212	1.5
379.03146	3.0
380.05588	0.7
381.05219	11.1
382.06793	0.7
383.07303	0.7
395.06586	2.6
397.04434	20.2
397.10269	12.4
399.05710	21.0
404.06400	0.8
405.04715	1.4
409.04138	3.9
413.07596	0.8
415.05466	4.3
415.10498	1.0
417.07001	2.3
422.07629	2.4
423.05869	11.7
427.05505	6.6
427.11179	1.2
438.07086	1.4
439.05460	4.2
440.08853	0.7
441.07034	7.7
453.06851	2.9
457.08029	12.7
458.06281	0.7
463.05673	2.4
464.08444	1.1
471.08072	1.0
481.08408	23.0
483.08386	1.3
499.07452	17.2
507.04672	0.6
508.09824	0.7
517.08606	16.7
543.10236	7.1
561.11218	94.8
562.11426	1.5
619.11530	6.4
643.11700	12.3
661.12964	2.1
679.13672	30.0
680.14325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01870	1.6
55.05495	14.2
56.86210	1.0
57.03423	4.0
57.07065	2.4
65.03918	2.0
67.05497	23.6
69.03413	3.5
69.07059	23.9
69.98094	2.2
69.98510	5.2
71.04980	3.1
73.55677	1.1
79.05479	18.4
81.03397	2.2
81.07047	58.9
83.04967	3.9
83.08614	9.6
85.06524	4.0
91.05469	22.7
92.07050	1.1
93.07036	40.9
95.04958	5.5
95.08596	83.5
97.06510	10.8
97.10146	6.9
99.04404	1.2
99.08080	2.7
105.07014	51.7
107.04967	1.8
107.08580	55.3
107.53616	1.5
109.06509	8.4
109.10144	34.9
111.08081	4.7
113.05997	2.8
117.07005	6.2
119.08565	76.0
121.06498	4.9
121.10130	43.9
121.11006	2.2
123.08067	9.8
123.11707	10.5
125.09635	2.5
129.07005	2.1
130.07799	1.4
131.08548	25.0
133.10115	55.1
135.08028	8.1
135.11664	24.5
137.06023	1.4
137.09610	4.8
137.13243	4.2
139.07553	1.5
139.11198	2.1
141.06929	1.6
142.07759	3.1
143.08548	8.5
145.10100	34.6
147.08052	3.2
147.11662	37.8
147.12773	2.4
149.09616	10.7
149.13234	32.0
151.11172	3.7
151.14845	1.3
153.09108	3.0
155.08504	2.1
156.09314	1.6
157.10100	14.1
158.10873	1.7
159.08083	1.4
159.11670	27.8
161.09596	7.7
161.13240	44.6
161.14597	2.2
163.11171	7.9
163.14798	23.4
165.09113	3.1
165.12791	3.0
167.10664	4.7
169.10126	1.7
170.10863	3.3
171.11638	10.7
173.11751	1.6
173.13235	30.2
174.13879	1.5
175.11249	6.8
175.14799	33.6
177.12717	4.2
177.16364	36.8
179.10684	2.7
179.14265	16.3
179.17957	1.3
183.11641	3.2
185.13283	10.1
187.11237	2.2
187.14799	49.8
189.12733	6.1
189.16362	40.9
191.07297	1.3
191.14272	17.9
191.15918	1.4
191.16264	1.6
191.17905	14.8
191.19394	1.8
193.12186	2.4
193.15947	2.5
195.13763	2.1
197.13252	3.1
197.15271	2.6
199.14809	14.6
201.12775	2.4
201.16365	23.1
203.14323	22.2
203.17929	100.0
204.18274	1.3
205.15826	21.7
205.19505	4.3
207.13860	2.1
207.17474	2.9
209.15375	3.9
211.14879	1.4
213.16403	13.7
215.14310	4.9
215.16267	1.3
215.17982	9.7
217.15855	14.7
217.19507	4.2
219.13873	1.6
219.17444	3.8
221.15352	20.0
221.18832	1.4
222.83540	1.3
223.16873	4.3
225.16214	1.4
227.17931	3.7
229.15802	3.3
229.19489	3.5
231.17415	7.1
231.21115	2.6
233.15462	2.0
233.19054	1.9
235.16898	11.2
239.17999	2.1
241.19481	3.3
243.17404	1.6
243.20967	1.7
247.16917	4.7
249.18468	28.5
253.19460	1.6
261.18506	4.0
267.21078	2.3
271.24078	1.5
275.19925	2.5
295.23947	1.3
309.25711	2.9
337.28894	4.6
355.26486	1.9
369.27917	1.3
375.02438	1.6
377.32025	4.3
379.33649	1.5
383.29538	2.1
387.30377	2.5
389.31949	5.5
393.31522	9.0
395.33374	6.3
405.31558	11.8
407.33051	23.9
409.34610	5.0
411.28867	3.1
413.30524	4.0
423.32556	18.8
425.34088	72.7
426.34418	1.9
427.35855	1.5
433.30765	3.3
435.32590	9.5
439.32019	4.3
441.33490	3.9
451.31866	9.8
453.33621	22.4
469.33029	9.6
471.34680	12.7
487.34024	9.2
601.45917	2.2
619.46954	3.5
647.46802	11.9
651.69763	1.3
665.47394	4.2
683.41449	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	684.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
53.03941	2.3
55.01852	1.2
55.05502	8.4
57.03225	0.3
57.03432	3.5
57.07044	0.5
57.41827	0.4
63.40305	0.4
63.96170	0.3
65.03921	1.4
67.05495	24.0
69.03428	0.6
69.07062	5.2
69.90401	0.9
69.90807	1.9
71.04974	1.7
73.06546	0.8
77.03883	0.9
79.05482	42.8
80.05820	0.4
81.03409	4.4
81.07046	24.6
82.07429	0.4
83.04972	7.8
83.08614	4.5
85.02882	0.8
85.06537	1.3
86.09695	0.5
91.05466	32.4
93.07030	40.1
95.04955	13.3
95.08594	14.5
95.09078	0.3
95.09218	0.5
97.02882	1.0
97.06530	2.6
97.10152	2.1
99.08073	0.8
101.06000	0.5
103.05482	0.5
104.10693	0.7
105.04535	1.0
105.07018	23.9
107.04932	3.4
107.08581	9.5
109.06502	4.3
109.10147	2.5
111.08071	0.9
115.05427	1.0
117.07016	5.0
119.08566	14.2
121.06495	1.7
121.10101	3.2
123.08073	4.0
127.07594	0.8
128.06171	1.1
129.06990	10.6
131.08577	1.8
133.06494	0.7
133.10117	6.7
135.08031	0.6
135.11652	1.8
141.09029	0.6
143.08543	5.1
145.10091	6.3
147.08031	1.6
147.11668	23.3
159.11694	0.8
161.09602	2.2
161.13235	7.4
163.11203	1.1
171.11667	17.4
179.14304	0.6
189.12706	7.0
190.72006	0.4
191.06131	0.4
207.13762	17.8
225.14854	2.8
263.16455	1.1
281.17435	46.2
282.17883	1.1
469.29562	2.9
487.30490	100.0
488.30826	3.6
543.36829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46619	1.3
53.03935	4.9
55.01854	3.7
55.05505	19.0
57.03425	11.4
57.07069	38.1
59.04991	1.4
65.03924	2.7
67.05499	27.5
69.03415	11.5
69.07055	10.9
69.63377	6.6
69.63802	4.7
71.04984	6.0
71.08620	26.4
71.45510	1.3
73.02906	1.3
79.05478	15.1
81.03408	64.5
81.07047	31.0
82.13833	1.4
83.04974	33.9
83.08607	19.2
85.02898	14.9
85.10190	11.4
86.14950	1.8
89.06023	5.3
91.05465	17.5
93.07027	11.9
95.04959	18.2
95.08593	22.4
97.02885	10.3
97.06526	3.2
97.10155	6.5
98.21230	4.9
99.04456	3.5
101.56118	1.5
105.07009	10.8
107.04958	4.5
107.08579	7.1
109.02875	7.9
109.06496	2.5
109.10146	13.6
111.04416	10.8
111.08082	6.5
113.06030	1.7
117.06999	3.2
119.08580	13.8
121.10133	5.9
123.08061	1.8
123.11700	6.7
125.09631	2.3
127.03905	6.3
129.05466	11.3
129.06967	8.7
131.08583	7.8
133.06474	1.7
133.08604	1.9
133.10117	6.4
135.11652	3.7
137.13203	1.6
142.07764	2.5
145.10042	2.2
146.85741	1.5
147.08043	2.4
147.11659	13.0
149.09618	3.8
153.12733	2.9
157.10135	8.5
163.11150	2.6
165.12787	5.1
175.11194	9.9
181.12244	3.4
191.10655	3.8
193.12222	27.5
211.13257	36.3
218.02998	1.4
227.12779	4.7
229.14221	7.4
239.23595	3.8
267.15875	14.3
283.15536	2.2
285.16879	10.1
304.74585	1.5
313.27307	56.6
314.27823	2.5
322.37619	1.5
335.25684	1.9
342.41632	1.5
355.17380	4.3
411.20169	3.3
427.64127	1.4
429.21133	18.8
505.38910	12.7
523.39886	100.0
524.40033	3.6
667.44135	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	686.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01862	0.9
55.05250	1.2
55.05503	11.6
57.03431	13.6
57.07066	1.9
59.05003	3.5
61.02917	5.5
65.03928	2.3
67.05495	100.0
68.05813	1.2
69.03422	2.2
69.07060	8.2
69.45824	5.5
70.87743	0.6
71.04980	2.9
71.08616	0.7
73.02897	1.0
79.05483	21.3
79.05949	1.1
80.05827	0.5
81.03410	1.7
81.07044	40.8
82.07366	0.5
83.04970	0.8
83.08600	9.6
85.02889	4.9
85.06539	4.0
91.03939	2.1
91.05461	15.0
93.07028	28.5
94.07378	0.6
95.04946	2.9
95.08594	29.0
97.02868	3.1
97.06550	0.8
97.10151	2.2
98.21241	2.3
99.04434	0.6
99.08054	0.7
105.07018	8.9
107.08583	14.7
109.06477	1.2
109.10141	82.9
110.10454	0.9
110.51586	0.6
111.08058	2.9
117.07021	3.2
119.08557	11.9
121.10123	12.0
123.08058	0.9
123.11646	3.9
125.09609	1.2
127.03918	0.6
131.08557	5.5
133.10107	5.2
135.11671	8.2
137.09628	4.0
137.13237	1.2
145.10094	3.8
147.11679	3.7
149.13219	5.3
155.10652	3.7
159.11670	3.5
161.13237	2.4
161.83530	0.5
163.14793	2.5
173.11745	21.5
173.13254	4.1
175.14769	1.9
177.16231	0.6
187.14784	1.8
189.11195	0.8
201.16454	0.9
227.12790	3.6
229.14319	83.6
230.14719	1.6
233.22626	0.6
243.21060	4.4
261.22107	17.9
317.24637	2.4
325.49017	0.6
335.25754	71.1
336.25989	2.4
379.29880	1.2
397.30820	1.5
415.32315	0.9
433.32755	1.1
471.34598	1.0
489.35678	57.7
490.35992	2.8
507.36652	4.0
508.36523	0.8
613.43359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38565	0.6
51.02381	0.6
51.39424	0.5
53.03935	1.1
55.01870	0.5
55.05502	11.8
57.03429	13.2
57.07062	2.1
59.04992	3.9
61.02927	4.4
63.42319	0.5
65.03938	1.6
66.81206	0.5
67.05495	100.0
68.05835	0.8
68.55925	0.5
69.03422	1.5
69.07054	8.3
69.45451	5.1
70.45631	0.6
71.04636	0.4
71.04981	3.8
73.02909	1.1
77.07102	0.5
79.05481	17.4
80.05833	0.6
81.03392	0.9
81.07045	35.5
83.04961	0.7
83.08607	9.0
83.36857	0.5
85.02909	3.7
85.06542	3.0
91.03943	2.4
91.05460	12.5
93.07032	23.0
93.07619	1.2
95.04940	2.9
95.08591	24.2
97.02891	2.4
97.06512	2.1
97.10151	2.0
98.20679	1.0
98.21369	1.6
99.08089	1.0
105.07023	7.0
105.10111	0.5
107.08575	13.6
109.10139	82.3
110.10487	1.1
111.08060	3.0
117.06997	3.5
119.08558	11.9
121.10128	10.3
123.08019	0.8
123.11699	3.6
124.41492	0.5
125.09593	1.1
131.08540	5.5
133.10086	3.5
135.11679	7.2
137.09596	3.8
137.13199	1.1
145.10091	4.3
147.11658	3.0
149.13208	3.5
155.10646	3.8
159.11647	3.0
161.13235	3.8
163.14810	2.9
165.12642	0.6
171.11584	0.6
173.11740	22.8
173.13239	3.1
175.14761	0.7
177.12749	0.5
177.16400	0.8
187.14825	2.5
189.11185	1.1
201.16331	0.7
227.12749	5.0
229.14316	96.8
230.14629	2.2
243.21022	5.9
261.22122	15.4
262.22507	0.6
299.23541	0.9
317.24667	3.6
333.24133	0.8
335.25754	69.7
336.26154	2.4
379.29938	1.2
397.30847	2.0
415.31989	2.0
433.33301	0.6
471.34579	1.2
489.35681	40.7
490.35767	2.0
504.39142	0.6
507.36728	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	688.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01859	1.4
57.03417	1.5
61.02905	1.1
67.05495	0.9
69.03419	4.2
69.27572	4.5
69.27999	4.0
71.04955	0.9
73.02913	0.8
79.05462	2.7
79.05926	0.9
80.05013	1.7
81.03426	3.4
81.07046	0.7
81.14507	0.8
82.06563	1.1
83.01273	0.8
85.02895	7.3
88.13494	0.6
91.05461	10.4
93.07043	7.5
94.06557	7.6
95.04954	1.7
95.07352	7.4
95.08607	1.8
96.08120	18.5
97.02850	3.3
97.06520	1.7
98.21238	3.4
99.04452	1.2
103.05479	1.3
105.05737	0.8
105.07017	1.2
106.06525	1.1
107.04937	1.0
107.07330	1.9
108.04488	1.3
108.08102	10.3
109.02863	1.0
109.08910	1.8
110.06029	1.6
110.09667	33.8
120.08086	21.2
120.08919	1.3
121.06490	1.2
122.06004	1.4
122.09644	3.0
123.06817	1.3
124.07610	1.2
127.03894	1.7
131.04935	0.7
136.07555	4.8
137.05978	2.0
137.08362	2.8
138.09119	44.7
146.06000	1.3
148.07571	7.8
150.09146	9.5
152.07019	1.2
154.08594	1.2
158.05893	0.7
162.05479	0.8
166.08617	87.5
167.08984	0.8
168.06578	2.2
168.10204	1.0
172.03964	2.0
182.08202	0.7
190.05043	1.7
190.12227	0.7
198.09155	0.8
199.08665	5.1
201.10571	0.8
204.06534	4.3
206.08070	3.6
209.10735	0.9
211.08643	8.9
212.09453	3.1
213.06647	2.7
213.10294	3.8
219.10236	1.0
220.02324	1.0
221.10674	1.3
225.06630	2.7
225.10187	9.8
225.22087	0.7
226.10924	1.4
227.08104	2.3
227.11757	3.7
229.09740	3.1
239.08246	1.4
239.11763	8.8
240.08820	1.8
241.09682	5.2
241.13451	1.7
242.10556	0.9
244.12030	0.8
245.12840	10.2
249.11156	1.6
250.11357	0.7
251.11937	2.4
252.09010	1.5
253.09712	8.6
254.10518	3.0
255.07736	1.7
255.11252	15.9
265.09998	1.1
267.08084	0.9
267.11243	17.4
267.13980	1.2
268.12091	3.0
269.09064	1.1
269.12979	1.5
273.08716	1.1
273.12283	2.1
279.11371	1.1
281.09201	1.5
283.10733	14.4
285.09033	1.3
285.12234	10.6
287.10217	2.4
295.10745	10.0
297.12326	3.3
299.10233	4.7
301.11789	21.7
311.10123	3.0
313.11777	50.0
314.12036	0.9
323.10257	13.6
325.11816	4.1
329.11288	36.9
330.11649	0.9
341.11279	23.7
343.12827	3.0
347.12506	1.3
355.12900	1.6
357.14679	1.0
359.12607	0.9
361.13879	78.1
373.13904	18.7
377.67929	0.9
420.19006	1.1
448.18625	3.7
450.20087	2.1
452.18045	2.6
466.19611	4.4
476.18228	5.5
480.21158	1.0
494.19165	54.7
495.19577	1.1
508.20718	24.9
525.20221	1.2
526.21783	100.0
527.21948	2.1
638.23059	1.5
656.24805	4.0
670.24908	1.1
688.26465	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	688.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.0
57.03410	0.9
58.24751	0.5
61.02887	0.6
67.05470	1.2
69.03373	2.4
70.06526	0.6
70.86536	1.6
71.04949	1.3
79.05441	1.9
80.04987	0.7
81.03365	1.8
81.07015	0.8
82.06537	1.3
85.02896	7.4
91.03942	0.7
91.05416	2.4
93.07038	5.1
94.06564	4.5
95.04942	1.5
95.07343	5.6
95.08564	1.1
96.07570	1.1
96.08119	15.9
97.02847	1.8
97.06476	1.8
103.05414	1.8
105.06981	1.2
107.07234	0.8
108.04446	0.9
108.08104	7.9
109.02840	1.3
109.08868	1.4
110.06043	1.0
110.09664	32.3
119.04877	0.7
120.08091	17.3
121.06413	1.0
122.03584	0.7
122.05983	0.6
122.09595	1.7
123.06772	0.9
124.07552	1.1
127.03860	0.8
129.05449	1.2
129.06575	0.7
131.04880	0.6
136.07574	3.8
137.05962	30.7
137.08275	1.3
138.09126	40.0
147.11557	0.7
148.06511	0.7
148.07576	6.8
150.09123	4.1
151.07472	1.4
154.08635	0.9
161.05881	0.9
163.07466	1.6
166.08623	73.7
168.06570	1.1
181.08588	7.1
185.10718	0.7
190.04939	1.1
199.08592	1.8
200.09323	1.0
201.10146	0.7
204.06516	2.1
206.08023	0.8
208.88689	0.5
211.08580	3.6
212.09270	1.0
213.06534	1.7
213.10199	3.9
219.10106	0.5
224.10419	0.6
225.10223	2.4
226.10992	0.6
227.08163	1.4
227.11737	3.5
229.09662	1.2
237.10217	0.7
239.07993	0.8
239.11807	4.3
240.08968	1.3
241.09599	3.1
241.13298	0.7
245.12852	12.9
252.08841	0.7
253.09727	3.8
254.10342	0.9
255.11252	17.4
257.12833	0.8
267.11221	8.8
269.09189	0.8
269.12778	1.3
273.08798	1.3
273.12247	2.4
283.10736	12.6
285.12271	5.2
287.10211	1.4
291.12128	0.8
295.10800	4.5
297.12338	1.8
299.10229	2.4
301.11792	31.5
311.10236	1.6
313.11795	23.3
313.15399	1.2
323.10257	5.3
323.91412	0.6
325.11697	2.4
329.11288	22.2
341.11176	8.1
341.14728	0.9
343.12805	1.6
347.12302	1.8
359.12561	0.8
361.13892	86.9
362.14145	1.3
373.13889	9.8
420.19092	1.4
448.18494	2.4
466.19684	4.6
476.18066	1.3
494.11856	0.8
494.19199	17.7
508.20782	12.2
525.20508	0.8
526.21783	100.0
527.22125	2.2
688.26318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01862	3.4
55.05261	0.9
55.05505	14.9
57.03430	9.7
57.07040	0.9
61.02908	1.9
65.03922	1.6
67.05496	42.2
69.03412	2.1
69.07066	10.3
71.04975	3.0
79.05483	60.4
81.03409	43.8
81.07047	36.3
81.23750	0.8
83.04974	17.7
83.08611	18.0
85.02895	13.0
85.06518	3.0
90.18058	0.8
91.05469	49.5
91.80643	0.9
93.07033	55.6
95.04959	30.2
95.08599	20.6
97.02855	4.0
97.06532	4.6
97.10159	4.5
99.08071	1.7
105.07019	36.6
107.04942	7.9
107.08582	15.9
109.06519	5.4
109.10129	3.7
111.04411	2.1
111.08063	6.4
113.05997	1.0
115.05442	1.7
117.07014	6.7
119.04908	0.8
119.08569	25.4
121.06466	4.2
121.10123	7.8
123.08044	4.6
123.11641	1.4
125.06015	0.8
127.07528	1.0
128.06189	1.5
129.06992	18.6
130.95003	0.8
131.08542	8.4
133.06459	2.3
133.10107	12.6
135.11636	1.7
142.07774	2.0
143.08553	6.9
145.10110	8.5
147.08051	5.0
147.11667	37.9
149.09555	3.1
157.10097	9.3
159.11711	1.0
161.09569	3.8
161.13243	9.3
163.11150	1.6
165.12721	1.7
171.10240	1.1
171.11674	19.3
175.11192	8.8
188.76375	1.0
189.12733	8.6
193.12207	23.2
207.13783	25.6
211.13263	30.7
225.14810	1.4
259.08066	0.9
267.09280	1.2
267.15887	34.8
276.90768	0.9
281.17444	93.6
285.10019	2.4
285.16919	31.4
319.83829	0.8
355.15775	2.0
389.26630	0.9
421.25552	0.9
473.28946	100.0
474.29010	2.2
491.29990	96.5
492.30023	2.4
635.33429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
56.96559	3.6
57.03431	2.8
61.02913	3.4
69.03427	9.9
70.03758	0.9
71.04985	2.5
71.59882	2.1
73.02907	4.8
77.00891	1.0
81.03416	1.9
82.99874	1.4
85.02892	24.8
86.03192	1.7
87.04465	2.2
87.29420	0.9
89.03883	1.1
91.03941	1.9
91.05461	1.2
94.99871	1.9
97.02887	11.4
98.97556	7.4
98.98118	1.0
99.04438	2.4
101.00886	3.8
109.02893	2.6
110.97583	1.1
112.15461	0.8
116.98615	5.8
119.01899	16.9
119.04932	2.5
122.03087	0.9
123.04385	1.6
125.59641	0.9
127.02415	1.5
127.03891	12.0
128.02303	0.9
128.98598	2.6
131.00175	2.1
131.01906	7.6
133.03433	4.1
133.04349	1.0
134.99622	2.7
135.03375	0.9
135.04395	4.2
137.02930	4.1
139.03902	2.1
143.00162	1.2
143.01886	12.5
145.01732	1.2
145.03543	8.4
145.04890	7.3
146.02303	1.7
146.99608	2.3
147.04382	12.1
149.01190	2.7
149.02942	1.7
150.40916	1.0
152.02361	1.1
155.01805	13.3
155.02863	2.2
157.03456	5.5
157.07051	1.3
158.99658	5.1
161.01303	2.6
161.02927	25.5
161.04265	1.3
163.02606	1.0
163.03838	16.1
163.05975	1.5
164.04253	1.9
165.00615	1.0
167.02017	3.0
169.03476	2.3
170.99641	2.7
171.05038	2.0
173.01424	1.4
173.02940	24.1
173.06541	2.4
174.00409	1.0
174.03110	1.2
175.04506	3.7
175.08125	4.4
176.05963	1.6
177.00713	7.9
177.02074	1.2
177.04037	1.3
177.05548	1.1
178.04880	2.0
181.07098	2.1
182.03365	3.0
183.05038	1.0
184.04651	2.3
185.02917	22.9
185.06477	5.3
186.04677	2.9
187.02946	1.2
187.04535	4.0
187.08191	0.9
188.89250	0.9
189.00645	5.9
189.06032	2.5
191.03929	8.2
191.07497	1.6
191.54018	1.8
193.09258	2.2
195.08560	1.0
196.04584	1.3
197.02950	6.9
199.04494	2.6
199.08154	20.1
200.02618	1.2
200.04414	5.9
200.08340	1.7
200.54459	1.2
201.00642	5.3
201.06004	2.1
201.09694	7.2
203.02217	1.9
203.03967	14.8
203.05789	1.9
203.07616	6.0
204.04323	1.3
205.03883	1.2
209.04898	2.2
211.04729	1.1
211.08139	20.0
213.09709	9.0
215.04001	6.1
215.07680	2.7
217.09169	10.8
219.01749	8.6
219.07123	2.6
219.10921	1.3
221.03154	1.6
221.05038	25.4
225.09737	1.9
226.05585	1.2
227.03993	4.7
227.07506	4.9
229.09164	14.2
231.10811	2.0
235.08194	1.3
237.02834	6.5
237.05893	1.3
239.04080	1.3
240.11009	1.1
241.09174	9.4
244.06882	1.3
245.05060	48.1
245.08812	2.5
246.05194	2.6
247.04576	1.2
249.02872	1.2
253.09187	7.1
257.05777	1.8
257.08707	5.4
259.06747	2.0
259.10254	2.1
261.02768	7.0
263.06140	9.9
264.57800	1.5
265.07687	3.1
265.57877	1.6
266.06519	2.2
266.09262	2.4
267.07233	2.1
269.08676	1.8
272.06482	4.4
273.02530	1.2
273.08121	9.7
273.58377	1.3
274.08212	2.0
275.06104	6.4
275.09723	14.5
279.03854	5.7
281.07010	18.3
281.57260	2.9
283.10217	18.3
285.08084	1.9
287.09756	3.7
289.06885	1.4
291.03870	2.1
291.09125	2.2
293.07483	1.9
298.11368	1.6
301.11301	100.0
302.11508	4.2
303.09302	3.6
305.07059	3.8
305.10715	1.7
319.12357	54.0
320.12537	3.0
321.04935	1.7
321.10349	3.3
324.12897	2.3
329.10645	7.5
333.13977	1.0
335.08368	1.4
340.10211	2.1
342.13934	3.5
346.10370	2.2
347.08475	2.7
347.11981	24.0
347.59369	1.2
348.09726	5.1
351.11295	3.4
361.13422	3.4
362.09659	27.9
362.59906	8.1
363.09824	2.9
365.12936	90.4
366.13129	3.8
381.07092	1.7
388.14456	9.1
389.13095	1.8
407.14029	68.4
408.14169	3.8
419.14102	4.5
425.11276	1.8
437.09705	1.5
437.15051	14.2
441.09167	3.5
455.10721	2.2
461.14801	1.3
467.16364	11.1
468.16348	1.1
483.16016	1.4
489.07144	1.1
491.16000	4.3
509.17062	12.8
527.18390	13.3
545.78113	1.2
572.98944	1.2
599.20020	1.9
689.23584	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	689.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03849	0.7
54.12838	0.5
55.05405	1.2
67.05361	2.3
69.03311	1.0
69.06962	0.9
69.55782	4.2
71.04878	0.7
71.08516	0.7
78.52262	0.5
79.05331	1.8
81.03264	1.8
81.06902	3.1
83.04875	0.6
89.05869	1.4
89.61780	0.6
91.05302	1.8
93.06872	2.3
95.04822	1.0
95.08452	1.9
95.08979	0.5
97.02792	0.6
98.21444	0.8
99.39154	0.5
105.06851	2.3
107.08417	1.3
109.02709	0.5
109.09992	1.2
117.06873	0.7
119.08420	1.5
119.09224	0.5
121.09943	1.5
131.08368	2.0
133.09959	0.9
135.11566	0.7
145.09975	0.8
147.11577	1.0
149.09427	0.7
157.09998	0.9
169.09933	0.5
171.11584	0.7
173.13098	0.7
181.09843	0.6
184.07095	2.0
236.18535	0.5
267.21667	0.5
306.27448	0.6
321.53900	0.5
335.25751	0.7
370.10257	0.7
384.12057	2.2
385.12836	3.8
386.14066	0.7
397.12930	1.5
398.13681	5.8
399.14487	11.8
400.15356	18.6
401.16019	1.5
402.13321	0.5
409.12549	0.6
411.14383	1.1
412.15262	5.9
413.16153	15.2
414.11938	0.8
414.16849	11.5
415.17459	1.2
416.14636	2.1
418.17877	2.5
425.16327	1.3
426.17502	2.5
427.13315	2.0
427.18256	11.3
428.18613	15.6
429.19312	12.6
439.18170	0.9
440.14410	1.2
441.15454	5.2
441.19855	2.4
442.16110	10.6
443.16956	0.7
444.13629	1.1
445.18829	1.5
446.16986	1.3
447.20175	0.6
453.15417	0.9
454.16110	0.7
455.17117	32.5
456.17816	14.5
457.14221	0.6
457.18558	1.6
458.15851	3.6
459.16599	5.6
460.16788	1.0
466.12531	0.6
469.13861	2.6
470.19733	0.8
471.16959	1.5
472.17194	1.2
473.18503	0.9
481.15149	2.2
482.15103	1.2
483.16626	26.2
484.15955	3.2
486.18948	1.9
487.15796	2.3
487.19946	2.3
488.16687	1.7
493.15408	0.9
495.16290	1.3
496.17548	0.7
499.16049	7.3
500.16428	1.4
501.17453	0.7
509.18210	0.9
511.20270	3.8
515.19348	2.1
516.19910	1.0
519.16724	0.7
523.15973	2.8
524.16974	0.9
527.15533	28.6
527.37311	1.7
528.15668	6.6
537.17651	1.0
538.18188	0.8
539.19330	10.4
540.19415	0.7
541.20746	0.5
542.21405	0.8
543.22430	18.6
544.22522	1.5
545.17200	0.8
555.18854	1.5
557.21765	0.6
568.17981	0.6
569.20404	1.6
571.21844	100.0
572.22217	6.8
573.19946	1.6
574.24316	7.3
575.24524	1.0
580.21857	0.7
586.20673	1.4
587.21283	2.1
601.23010	7.6
602.23676	36.3
603.23578	2.3
613.23004	0.8
614.20020	1.2
615.20673	3.8
617.25897	2.3
629.22388	28.3
630.22760	20.9
631.22974	1.1
633.25305	1.1
643.23804	1.4
657.21875	60.9
658.22064	5.3
661.24890	5.3
662.25238	0.6
671.41199	0.8
689.24536	21.7
689.41809	2.3
690.24860	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.34544	0.2
55.01869	0.5
55.05510	1.5
57.03428	1.3
61.02923	3.3
65.03932	0.3
67.05495	3.7
68.69242	0.2
69.03419	1.9
69.07058	1.1
71.01329	0.3
71.04977	0.4
73.02905	2.2
79.05479	5.1
81.03410	2.5
81.07048	4.1
83.04967	1.3
83.08598	0.8
85.02892	3.5
85.06520	0.3
91.03941	2.1
91.05470	5.3
93.07037	4.6
95.04952	1.7
95.08589	2.6
97.02890	2.7
97.06503	0.5
97.10125	0.3
99.04460	0.8
101.02335	1.1
103.03968	0.3
105.07018	3.6
107.04951	0.8
107.08572	2.0
109.02867	0.6
109.06511	0.7
109.10127	0.7
111.08077	0.3
117.07020	0.9
119.08559	2.4
121.06484	0.5
121.10172	0.6
123.08075	0.7
127.03887	1.2
128.06232	0.3
129.06989	1.5
131.08514	0.5
133.10117	1.6
135.11681	0.5
143.08594	1.1
145.10115	1.1
147.08005	0.5
147.11679	3.1
161.09529	0.3
161.13229	1.1
171.11710	2.3
181.34758	0.2
185.04250	0.4
189.12761	0.5
203.05206	0.5
207.13870	0.6
237.67882	0.2
243.08383	2.2
247.13026	2.7
247.15028	0.2
281.17587	0.5
303.15625	1.3
341.26471	0.2
465.20911	15.7
466.21082	0.6
527.29834	0.5
527.37115	0.6
608.26569	0.3
689.34930	100.0
690.35345	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
54.22781	1.9
55.01857	5.8
55.05507	29.8
57.03434	15.4
57.07059	3.3
61.02922	9.1
65.03921	2.8
67.05498	70.4
67.71789	2.0
69.03419	23.3
69.07059	23.4
69.94143	2.0
70.03236	1.6
71.04977	8.0
71.15915	2.3
71.16241	3.6
73.02911	6.6
79.05482	57.3
81.03411	46.1
81.03757	1.4
81.07047	80.4
83.04967	14.3
83.08614	15.8
85.02898	16.7
85.06538	4.7
87.04408	2.5
91.03946	6.0
91.05468	56.8
93.07027	66.1
95.04945	21.3
95.08596	40.0
97.02874	24.0
97.06532	8.2
97.10163	6.9
99.04454	5.8
99.08086	3.8
103.03941	3.2
103.05396	2.2
105.07018	47.9
107.04940	5.1
107.08587	33.8
109.02841	9.4
109.06532	7.4
109.10136	15.6
111.04458	6.7
111.08067	5.1
115.05432	2.9
117.07002	24.0
119.04994	2.2
119.08575	35.8
121.06510	5.6
121.10111	27.3
123.04414	7.6
123.08028	4.3
123.11698	8.5
125.09632	3.7
127.03936	9.0
128.06224	6.9
129.05484	4.2
129.06992	20.2
130.07788	3.1
131.04895	2.3
131.08546	35.5
133.06496	5.0
133.10106	27.1
135.08069	5.8
135.11700	15.7
137.09616	4.2
141.06966	5.5
142.07787	2.9
143.08546	21.4
145.06523	3.9
145.10106	27.7
147.04395	4.5
147.08098	4.1
147.11659	26.8
149.09627	4.3
149.13235	16.4
153.07010	2.5
155.08537	13.0
157.06442	2.0
157.10107	21.8
159.08037	2.3
159.11653	20.2
161.13263	8.5
163.11179	4.0
165.12769	5.2
167.08524	4.1
168.09341	2.8
169.10081	12.6
170.10954	2.3
171.08006	4.6
171.11661	16.4
173.04488	3.3
173.09653	4.1
173.13271	9.7
175.11183	3.4
175.14815	4.9
177.12733	4.5
179.08594	2.8
181.10095	8.8
183.11690	13.1
185.13226	10.0
187.11154	2.6
187.14835	3.7
189.12772	2.5
193.10162	3.7
193.12215	3.8
195.11742	6.9
195.13806	5.2
197.13269	11.6
199.14864	5.3
207.11734	3.7
209.09578	2.7
209.11456	2.5
209.13297	7.7
211.11230	2.5
211.14885	5.3
213.12735	4.0
213.16414	4.1
215.14302	2.5
221.13271	2.6
223.14969	2.8
227.14304	2.1
235.13316	8.1
237.16214	2.3
241.19669	3.1
243.21130	2.3
255.17369	2.9
257.18939	3.1
259.13293	2.2
259.20532	10.7
261.22055	5.1
267.15756	9.2
269.17148	10.4
271.20444	3.6
273.14777	2.1
275.20135	2.9
283.20563	3.2
285.16937	4.5
301.14450	4.7
301.21600	4.3
309.16891	2.4
313.21683	2.3
326.26010	1.8
327.23111	2.2
332.89902	2.1
333.24588	9.5
335.25900	11.5
337.16248	2.7
339.18350	2.2
339.23056	2.5
349.21582	3.2
351.23148	3.4
367.22699	6.8
369.24292	3.1
371.83676	1.9
375.25769	2.0
385.23672	2.7
393.19415	2.0
403.25287	3.3
411.20197	3.3
413.21783	5.4
435.32468	7.7
441.26050	2.9
443.28043	3.3
453.33023	2.6
459.27121	3.4
509.36194	6.3
525.35388	3.4
527.37262	100.0
528.37933	4.0
539.37018	2.8
541.27539	2.1
543.35577	2.4
545.37842	4.3
561.35486	2.2
569.38184	8.3
581.37903	2.5
593.38220	2.8
611.39307	4.0
623.39191	5.1
635.39172	11.7
653.40192	16.0
671.41345	22.5
689.42407	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03936	6.9
55.01864	4.9
55.05502	21.6
57.03435	12.1
57.07060	3.3
58.78355	1.0
61.02922	10.0
65.03941	3.7
67.05495	52.3
69.03421	23.7
69.07063	18.9
69.40810	3.0
69.41232	8.1
71.01346	1.2
71.04984	12.4
73.02914	6.0
79.05484	49.1
81.03408	54.6
81.07047	64.8
83.04972	15.0
83.08610	11.4
85.02901	15.8
85.06528	3.6
86.09697	3.2
87.04465	1.5
89.72175	1.3
91.03941	5.5
91.05470	40.3
93.07034	47.2
95.04966	10.8
95.08596	36.7
97.02881	23.6
97.06532	6.6
97.07037	1.2
97.10168	4.0
99.04438	8.4
99.08063	1.9
101.02383	1.8
103.03911	1.8
105.07022	37.5
107.04966	3.8
107.08579	28.8
109.02848	9.3
109.06509	5.9
109.10139	13.4
109.55148	1.0
111.04432	3.5
111.08089	2.6
112.39715	1.2
115.05437	3.2
116.45641	1.3
117.07013	20.7
119.04929	1.2
119.08569	33.3
121.06510	4.1
121.10130	18.5
121.10921	1.8
123.04431	1.4
123.08068	4.0
123.11707	7.1
124.99971	1.1
125.09611	2.1
127.03886	10.4
128.06227	5.1
129.05478	5.1
129.06979	18.1
130.07773	1.6
131.08546	31.9
131.09489	1.7
133.06439	2.5
133.10118	23.5
135.08063	4.1
135.11661	13.0
137.09608	1.7
137.13271	1.4
141.06975	6.7
142.07764	3.2
143.08546	19.8
145.06497	3.8
145.10106	27.1
147.08060	3.1
147.11668	21.4
149.09645	3.2
149.13252	10.8
151.11230	2.1
153.07047	1.4
154.07826	1.6
155.08540	13.3
155.09729	1.7
156.09331	1.3
157.10086	18.7
159.08067	2.6
159.11679	19.4
161.09613	2.4
161.13249	8.9
163.11201	3.1
163.14848	2.4
165.06967	2.1
165.12733	6.1
166.07742	1.3
167.08493	5.9
168.85117	1.2
169.10091	13.9
171.08034	2.8
171.11652	15.2
173.04451	12.7
173.09686	2.1
173.13235	13.5
175.11115	2.4
175.14847	3.2
177.12814	4.5
178.07730	1.5
179.08583	4.1
181.10100	8.0
183.07959	1.6
183.11678	13.1
184.07318	11.3
185.07892	1.6
185.09583	2.8
185.13211	12.8
187.11153	1.6
187.14844	5.2
189.12723	2.7
189.16344	1.5
191.08731	1.4
193.10103	3.1
193.12065	1.5
194.10902	1.2
195.08064	1.3
195.11713	8.2
195.13814	4.1
197.13260	9.5
199.06055	2.0
199.11272	2.3
199.14844	8.0
201.12866	2.0
205.10098	2.0
207.11699	3.0
209.09898	1.2
209.13251	7.5
211.11334	1.5
211.14925	4.1
213.12900	1.7
213.16533	2.4
215.18004	1.5
219.13866	1.3
221.13303	4.7
223.14885	3.8
225.16368	3.1
231.17503	1.5
235.14851	1.5
237.16463	3.2
239.17953	1.7
241.15746	1.4
241.19569	4.0
241.40974	1.2
243.21222	1.7
247.14836	1.4
251.18130	2.1
255.17586	1.4
257.19012	2.5
259.20569	8.9
261.22217	4.6
265.15802	1.5
267.15848	8.6
269.17242	6.8
271.20581	1.9
273.22208	1.4
275.20212	1.7
281.96008	1.2
283.20517	2.8
285.16968	2.1
285.22147	2.1
287.20050	1.2
297.22089	2.4
301.21658	2.5
309.22342	1.4
311.23679	1.4
313.21750	1.9
315.23270	1.9
321.22290	1.9
323.23590	1.9
325.21613	1.9
325.25342	1.4
327.23230	1.4
333.24350	7.3
335.25842	5.0
339.23361	2.1
341.25018	1.5
349.21255	2.8
351.22900	2.7
357.24713	1.7
367.22690	3.7
369.24213	2.0
411.20172	2.3
413.21802	3.8
417.31763	3.0
435.32504	10.0
441.26440	2.3
453.33853	5.7
459.27829	2.0
471.34912	2.7
501.35483	3.4
509.36255	10.2
515.37335	1.7
517.39142	2.3
525.35925	4.8
527.37268	100.0
528.37976	5.4
529.38812	3.1
539.36951	2.4
543.36072	3.5
545.38049	9.5
551.37152	2.2
569.38550	3.5
581.38104	2.2
593.38416	1.7
611.38513	2.3
617.38556	2.4
623.39606	1.7
635.39154	8.4
653.40540	10.6
671.41571	17.4
689.42474	51.9
690.42505	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.2
53.03933	10.5
53.51953	1.1
55.01863	6.2
55.05253	1.7
55.05506	22.1
57.03427	14.2
57.07068	4.6
61.02920	10.9
65.03925	3.6
67.05495	61.8
69.03423	23.9
69.07057	19.5
69.41766	11.5
71.01364	1.8
71.04989	10.4
71.08622	1.2
73.02904	5.5
79.05486	44.4
81.03053	0.7
81.03406	51.2
81.07045	67.1
82.07353	1.2
83.04964	17.7
83.08608	12.4
85.02897	15.7
85.06536	4.1
85.18435	1.3
87.04448	1.8
91.03941	4.6
91.04898	1.4
91.05012	0.9
91.05467	46.5
93.07032	49.0
95.04958	11.8
95.08591	39.6
97.02877	26.3
97.06507	7.6
97.10161	5.4
98.21394	3.9
99.04442	8.8
99.08089	3.4
103.05471	2.0
105.07018	43.4
105.91952	1.3
107.04974	4.8
107.08578	32.1
109.02866	8.9
109.06522	7.3
109.10136	16.2
111.04426	3.3
111.08076	4.4
113.06017	1.6
115.05434	3.7
116.06233	1.3
117.07008	20.0
119.08564	33.8
121.06509	5.2
121.10132	17.8
123.04444	2.8
123.08082	3.4
123.11639	8.4
125.09636	2.3
127.03897	9.4
128.06242	4.9
129.05507	7.5
129.06985	19.6
130.07814	2.5
131.08556	32.5
131.09502	2.1
133.06522	2.4
133.10110	25.3
135.08051	3.8
135.11652	12.7
137.05914	1.6
137.09601	2.3
139.11212	1.4
141.06970	8.7
142.07797	3.6
143.08539	24.5
145.05104	1.7
145.06480	4.0
145.10097	25.3
147.08023	2.4
147.11661	24.9
149.09662	2.4
149.13260	11.3
151.11171	2.1
154.07797	1.8
155.08572	11.4
156.09384	2.3
157.10120	23.3
159.08047	2.0
159.11658	21.3
161.09631	1.6
161.13232	10.0
163.11212	2.9
163.14827	3.6
165.07117	1.2
165.12767	5.8
167.08525	7.5
168.09343	2.4
169.10091	14.3
171.08057	2.0
171.11664	18.1
173.04437	12.9
173.09607	2.9
173.13242	10.6
175.05998	1.4
175.11171	3.6
175.14835	3.3
177.09135	1.2
177.12798	2.2
179.08624	2.7
181.10086	7.9
182.10872	1.8
183.11665	12.3
183.13968	1.7
184.07315	1.5
185.09705	2.3
185.13219	13.2
187.11176	2.6
187.14841	5.5
189.12704	2.2
191.14206	1.7
193.10123	2.4
193.12280	1.9
195.11740	7.6
195.13829	3.3
197.09657	2.2
197.13231	12.0
197.14816	1.7
199.06088	1.4
199.11230	2.3
199.14850	7.4
201.12811	2.3
201.16473	2.1
205.10263	1.3
207.11699	3.2
209.13271	4.9
211.11246	1.5
211.14833	4.7
213.12872	2.1
213.16422	3.1
221.13219	3.4
223.11325	1.5
223.14867	5.0
225.12872	1.7
225.16397	2.3
227.14439	1.8
235.14891	2.7
237.12762	1.3
237.16365	3.5
239.14365	2.0
239.17903	1.4
241.15842	1.7
241.19582	5.0
243.21124	1.6
245.13443	1.3
247.15036	1.5
249.18556	1.5
251.17879	1.4
257.19070	2.2
259.20569	7.5
261.22198	3.7
267.15729	6.8
269.17374	6.6
271.20605	2.1
273.18732	1.7
273.21979	1.4
275.20224	2.0
283.20560	2.7
285.16714	2.6
297.22314	2.1
299.20169	2.6
301.21747	3.9
307.28284	2.1
309.22073	1.6
313.21631	2.4
315.23157	2.3
323.23453	2.4
325.21613	2.3
333.24292	6.1
335.25763	4.7
337.21613	2.6
339.17960	1.8
339.23230	1.6
349.21643	1.8
351.22974	2.4
353.24899	2.9
357.24249	2.2
367.22696	2.7
369.23969	2.7
385.23798	2.4
403.25031	2.0
407.33240	1.6
411.20230	2.6
413.21872	3.1
417.31464	3.0
435.32639	10.6
441.26300	1.8
447.31747	1.5
453.33823	6.2
471.34937	2.4
473.33707	1.8
483.34818	1.4
491.34937	1.9
501.35715	2.6
509.36414	8.8
515.37256	2.1
517.38965	3.4
525.35535	4.7
527.37262	100.0
528.37585	5.0
529.38287	2.9
539.38098	2.4
543.36023	1.6
545.38361	9.6
551.37311	1.8
555.36932	1.7
561.36194	1.7
569.38690	3.0
579.37646	1.5
593.38086	2.4
599.39032	1.6
611.39276	1.9
617.38525	2.4
623.38867	3.2
635.38904	8.1
653.40454	9.7
671.41669	12.5
689.42450	55.0
690.42346	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	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03940	8.4
55.01859	6.0
55.05505	29.9
56.05830	1.3
56.50851	1.0
57.03432	13.5
57.07066	3.3
59.04977	1.3
61.02913	1.0
65.03937	3.9
67.05498	72.8
67.72298	0.9
69.03423	33.2
69.07061	21.2
69.36023	9.0
71.01338	2.3
71.04988	10.2
71.08630	1.6
73.02927	1.2
73.06555	1.3
77.03912	1.5
79.05484	64.4
81.03409	100.0
81.07046	71.6
81.08068	1.0
82.03758	1.6
82.07389	1.0
83.01345	1.1
83.04968	23.9
83.05745	1.0
83.08611	27.1
85.02895	16.1
85.03363	1.7
85.06537	3.3
87.04456	2.0
91.05470	62.0
93.07034	64.0
95.04003	1.0
95.04961	34.2
95.08595	46.8
97.02880	20.3
97.06518	6.6
97.10145	6.1
98.20934	3.6
99.04453	6.2
99.08095	2.6
103.05473	1.5
104.64394	0.9
105.04546	1.6
105.07014	48.5
107.04936	8.5
107.08582	36.4
109.02868	19.2
109.06514	8.7
109.10147	18.1
111.04427	12.7
111.08064	10.6
113.06058	1.7
113.09620	1.0
115.05470	3.7
116.06268	1.1
117.07002	14.9
119.04951	1.3
119.08564	37.0
121.06461	7.2
121.10132	28.5
122.27167	1.1
123.04434	3.1
123.08063	6.8
123.11662	7.0
125.05990	1.2
125.09641	3.7
127.03900	12.0
127.07606	1.3
128.06271	2.7
129.05478	3.6
129.06984	14.7
130.07777	1.8
131.04927	2.0
131.08545	30.4
133.06447	5.4
133.10114	20.4
133.65865	0.9
135.04411	1.2
135.08083	3.6
135.11676	14.9
137.05940	1.3
137.09622	2.9
137.13232	1.5
141.06990	2.8
142.07770	4.1
143.08543	9.9
144.09303	1.9
145.06453	4.6
145.10104	18.4
147.04485	1.1
147.08005	5.6
147.11665	25.7
147.12738	1.8
148.11993	1.0
149.09612	7.7
149.13248	6.8
151.07642	1.4
151.11203	1.9
153.12752	2.6
155.08531	6.1
157.06529	2.5
157.10110	17.7
159.07986	2.2
159.11687	11.1
161.09608	2.2
161.13173	5.1
163.07620	0.9
163.11134	6.7
163.14821	2.2
165.05565	1.1
165.12758	5.5
167.08551	2.4
169.10081	5.9
171.08128	2.3
171.11642	7.6
173.04471	5.8
173.05847	1.4
173.09660	3.0
173.13229	8.4
175.11177	11.9
175.14857	2.4
177.12842	2.0
179.08504	1.0
181.10130	3.4
181.12271	3.4
183.08052	1.4
183.11685	4.0
184.07378	0.9
185.09616	2.0
185.13243	6.0
187.11234	2.8
187.14806	3.9
189.12752	1.9
191.10675	3.6
193.10411	1.9
193.12224	40.8
194.12631	1.1
195.11734	1.9
197.13293	3.1
199.11150	1.1
199.14883	2.1
201.12717	1.4
205.12251	1.1
209.13304	2.5
211.13252	63.4
212.13635	1.3
213.12750	1.9
213.16501	1.4
215.14468	1.5
221.13268	1.8
221.15262	1.2
223.14908	1.9
225.12810	1.7
225.16438	1.6
227.12526	4.8
229.14316	3.2
237.12828	1.2
241.15913	1.1
241.19444	2.2
243.21071	1.9
249.14883	1.6
255.13837	1.4
257.15613	1.6
259.13297	1.4
259.20688	2.9
261.22137	7.5
265.19611	1.0
265.75134	0.9
267.15842	10.0
273.14789	1.6
273.22186	1.0
275.20099	2.6
277.21799	1.8
283.20663	1.5
285.16925	11.0
289.18051	1.2
301.21692	3.3
313.21918	1.4
315.23209	1.5
317.24857	2.6
319.22815	1.3
323.23578	2.1
327.23193	2.5
333.24802	1.5
335.25815	18.3
337.16580	3.4
341.24750	2.0
345.24203	1.5
351.22961	6.1
353.24823	1.1
355.17551	8.6
357.24133	1.6
359.25717	1.1
369.24222	9.1
370.24847	1.0
387.25272	5.3
393.19159	2.5
405.26367	3.4
411.20142	6.8
425.26706	1.9
435.32605	2.1
443.27789	4.5
453.33737	2.1
461.28741	5.3
471.34497	1.9
479.30148	1.4
501.36041	1.1
527.37347	19.4
528.37683	1.6
541.38666	1.3
545.38397	10.8
585.37793	2.0
607.40363	1.1
611.39105	1.1
617.38336	1.2
635.39124	2.4
641.40137	1.2
653.40613	8.2
671.41541	10.6
672.42236	1.4
689.42468	99.1
690.42468	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.6
55.01870	8.5
55.05503	32.0
57.03422	16.0
57.07064	5.0
61.02918	7.2
62.22065	1.6
65.03945	5.6
67.05495	76.4
69.03422	27.8
69.07061	29.6
69.24718	1.7
69.28390	15.2
69.28793	3.3
70.07405	1.6
71.01358	2.6
71.04980	14.1
73.02914	7.3
73.06573	1.6
79.05483	60.2
80.03233	1.5
80.05806	1.7
81.03408	90.2
81.07044	98.8
82.07388	2.0
83.04971	26.5
83.08614	20.4
85.02891	16.7
85.06547	5.0
87.04469	2.3
91.03949	3.8
91.05467	64.2
93.07030	66.7
95.04949	17.6
95.08594	55.3
97.02877	36.5
97.06511	11.7
97.10158	9.2
98.21299	7.1
99.04436	10.4
99.08092	4.3
101.02382	2.6
103.05484	2.8
105.07017	57.3
107.04965	7.7
107.08572	45.9
107.09251	2.3
109.02871	14.6
109.06504	10.9
109.10133	17.5
110.10503	1.3
111.04440	7.3
111.08088	5.5
113.05970	2.9
115.03947	2.0
115.05473	2.6
117.06995	26.9
118.45083	2.2
119.08566	39.0
120.08929	1.6
121.02840	1.5
121.06531	4.8
121.10131	34.8
123.04459	2.7
123.08074	5.8
123.11694	9.5
125.09621	4.1
127.03912	14.8
128.06244	3.9
129.05522	8.1
129.06996	20.6
131.08556	43.9
133.06500	5.2
133.10117	28.6
135.08063	5.5
135.11687	14.9
137.09618	3.4
139.07549	1.5
141.06941	8.6
142.07845	3.6
143.08536	23.2
144.09325	2.7
145.04950	2.7
145.06442	3.6
145.10100	33.2
147.08078	6.6
147.11667	33.0
149.09604	4.4
149.13263	14.0
151.11139	4.2
152.87254	1.6
153.07004	3.0
154.13300	1.5
155.08539	13.6
156.09334	1.8
157.06570	2.3
157.10098	21.7
159.08073	4.8
159.11667	23.0
161.09651	4.2
161.13226	8.7
163.11134	4.4
163.14850	4.2
165.06972	2.3
165.12723	9.5
167.08580	5.5
168.09358	2.5
169.10126	13.0
171.11658	18.6
173.04468	19.9
173.05859	2.8
173.09665	3.6
173.13211	14.7
175.11255	4.6
175.14900	4.7
177.12764	4.4
179.08594	2.4
181.10098	9.1
183.11646	18.7
184.07347	2.7
184.12135	1.9
185.09634	2.8
185.13234	14.8
187.14854	6.4
189.12787	2.2
193.10204	3.0
193.12276	3.9
195.11757	10.1
195.13844	4.4
197.09671	2.5
197.13278	14.1
199.14883	4.9
205.10193	2.3
207.11742	4.9
209.13307	5.9
211.11526	2.2
211.13281	4.7
211.14949	6.5
213.12820	2.8
213.16438	2.8
215.14355	3.3
217.15849	1.8
219.77039	1.5
221.13306	4.0
223.14813	4.6
225.16470	3.2
229.14377	2.2
231.21130	3.1
235.14859	2.8
237.16399	3.0
241.19629	7.2
243.21234	1.8
253.19528	1.7
257.19009	2.7
259.20529	12.7
261.22253	6.4
267.15811	12.1
269.17404	12.1
271.20490	2.8
273.18542	2.6
275.20200	3.5
277.21686	1.9
283.20657	2.0
285.17081	4.2
291.19635	2.6
295.20703	2.2
301.21832	2.5
305.18036	2.0
309.22235	2.5
311.23831	2.1
323.23285	2.0
325.21524	2.0
333.24368	10.1
335.25861	7.0
337.16629	2.6
339.17834	2.3
339.23505	1.8
343.22623	2.1
351.23010	2.7
367.22696	5.4
369.24271	2.2
387.83655	1.7
403.25156	2.6
411.20261	2.8
413.21777	7.6
417.31531	2.0
435.32266	11.4
453.33823	6.2
459.27368	2.5
471.34714	4.5
509.36371	9.9
517.38959	3.6
525.35663	4.9
527.37280	100.0
528.37695	5.6
529.39362	3.2
539.36932	2.2
543.36298	3.8
545.38263	12.7
551.37970	2.0
569.38202	4.5
581.38336	3.5
597.37079	1.9
611.39709	2.0
635.39160	11.6
653.40515	11.2
671.41425	18.5
689.42548	79.7
690.43433	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	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
52.57909	1.3
53.03944	9.8
55.01862	8.2
55.05502	31.5
57.03432	14.8
57.07069	4.0
59.04989	1.6
65.03930	3.8
67.05498	75.1
69.03423	35.4
69.07060	21.6
69.76559	9.4
71.04979	10.0
73.02885	1.9
77.03918	2.0
79.05482	75.7
81.03409	100.0
81.07049	81.2
82.07378	1.8
83.04970	22.6
83.08604	23.2
85.02894	21.9
85.06546	3.2
86.12733	1.5
87.04456	18.3
90.06751	1.6
91.05468	65.4
93.07033	66.2
95.04955	34.6
95.05544	2.1
95.08594	47.2
97.02885	21.8
97.06548	8.6
97.10149	7.6
98.21094	5.3
99.04449	6.6
103.05446	2.8
105.04505	1.6
105.07018	47.1
107.04955	11.9
107.08585	33.9
109.02872	16.0
109.06511	9.0
109.10145	18.5
111.04436	13.5
111.08054	8.9
115.05433	5.0
117.06987	16.4
119.04910	1.9
119.08569	39.6
121.06492	5.6
121.10136	28.9
123.04446	2.9
123.08061	4.5
123.11710	5.3
125.09649	4.7
127.03895	10.1
128.06265	4.3
129.05479	4.2
129.06990	20.0
131.04942	1.8
131.08542	29.5
133.06514	5.3
133.10118	25.1
135.08072	5.5
135.11653	15.0
137.09651	4.2
141.06987	3.8
142.07787	3.5
143.08540	12.9
145.06500	3.5
145.10114	21.2
147.04375	1.7
147.08031	7.3
147.11676	25.9
149.09634	5.2
149.13266	7.0
151.11185	2.6
153.07047	2.3
155.08571	6.7
157.10089	18.1
159.08041	3.7
159.11688	12.0
161.09631	3.3
161.13277	6.0
163.07599	2.2
163.11232	9.1
163.14774	2.4
165.12790	7.0
167.07213	1.6
167.08589	3.3
169.10161	6.8
171.08061	2.0
171.11668	10.3
173.04497	6.5
173.09613	4.2
173.13252	6.2
175.11182	11.9
175.14864	3.0
177.12729	2.7
181.10071	2.3
181.12241	3.3
183.11766	4.8
185.09595	2.1
185.13283	6.1
187.11235	2.3
187.14868	3.0
189.11273	1.8
189.12840	2.2
191.10634	4.0
191.14369	1.9
193.10339	3.2
193.12212	34.4
193.13829	2.8
195.11691	2.7
197.13295	5.0
199.11250	2.9
199.14923	3.4
201.12785	2.0
207.11858	2.1
209.13376	2.7
211.13246	48.1
213.12791	2.6
217.12201	2.1
217.15881	1.7
217.26144	1.6
227.12805	4.2
229.14368	2.7
235.13246	2.0
258.37762	1.5
259.20474	2.9
261.22180	6.4
267.15897	7.8
273.14935	2.4
273.22046	1.9
275.20248	2.8
277.21503	3.8
285.16913	12.8
301.21698	5.2
309.16980	2.4
315.23309	2.8
327.23050	2.2
335.25888	11.0
337.16394	3.4
351.23178	5.2
355.17560	6.0
369.24261	9.7
369.28436	1.7
375.18201	2.0
387.25269	6.9
405.26035	2.0
411.20230	6.9
425.26758	1.8
443.27951	4.7
453.33856	2.6
461.28989	5.4
517.39032	1.7
527.37067	12.4
545.38385	6.5
635.39136	2.3
641.40088	2.0
653.40674	8.3
671.41595	12.4
689.42480	74.1
690.42578	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.8
55.01865	4.8
55.05503	26.0
57.03431	10.2
57.07056	4.5
59.05005	2.5
61.02922	13.4
64.77242	1.8
65.03922	4.2
67.05496	52.8
68.05814	1.5
69.03417	23.9
69.07056	18.3
70.07398	1.6
71.04984	7.7
71.62801	1.9
73.02907	6.3
79.05485	42.5
81.03407	43.5
81.07045	66.2
82.07357	1.6
83.04980	15.0
83.08602	10.8
85.02894	12.4
85.06551	3.0
86.09693	3.4
90.20185	1.5
91.03954	5.0
91.05469	47.4
92.05777	1.6
93.07028	42.1
95.04961	12.5
95.08595	31.7
97.02884	18.5
97.06535	6.0
97.10173	5.7
99.04435	4.6
99.08133	2.3
101.02410	2.1
105.07016	40.1
107.04947	5.3
107.08569	26.1
109.02881	5.6
109.06485	8.3
109.10149	13.9
111.04450	4.9
111.08064	4.3
113.59841	2.0
115.05437	3.6
117.06999	23.3
119.08568	30.7
121.06464	4.8
121.10118	21.7
122.10414	1.9
123.04459	2.1
123.08050	4.7
123.11710	6.7
125.09602	3.6
127.03893	9.4
128.06250	2.6
129.05486	4.5
129.06973	14.5
129.19034	1.9
130.07736	2.5
131.08554	28.2
133.06479	3.7
133.10117	24.2
135.08070	3.4
135.11690	12.7
137.09550	3.8
141.06938	5.0
142.07805	2.5
143.08536	17.4
144.09335	1.9
145.06506	4.2
145.10104	26.0
146.10612	1.6
147.08124	2.2
147.11667	19.0
149.09636	4.8
149.13237	7.2
151.11156	1.8
155.08511	10.6
156.09351	2.0
157.10107	17.8
159.08093	1.9
159.11662	17.3
161.09726	2.5
161.13237	7.8
163.07669	1.9
163.11133	3.5
165.12708	4.3
167.08530	7.0
169.10095	14.2
171.11665	15.4
173.04399	9.2
173.09543	2.1
173.13248	9.7
175.11191	2.4
177.12740	3.8
179.08498	2.9
181.10077	6.2
183.11644	10.4
184.07332	7.9
185.09608	2.9
185.13245	9.1
187.14845	4.0
192.23438	1.8
193.00171	1.9
193.10097	3.5
195.11644	6.3
195.13626	3.0
197.13187	11.3
199.14790	3.9
207.11818	2.1
209.13274	6.5
211.14798	4.4
213.12782	2.7
213.16451	2.8
221.13258	2.4
223.14893	3.2
225.16426	2.5
235.14914	2.5
237.16389	3.6
239.17899	3.2
241.19521	4.3
257.19006	3.6
259.20557	8.8
261.22229	4.6
267.15894	5.6
269.17398	9.5
271.20367	1.8
273.18448	3.1
275.20029	4.2
283.20502	1.9
285.16943	2.0
289.17917	3.2
291.19653	2.2
295.20538	2.0
297.22073	2.0
301.21768	2.0
307.20789	1.9
307.62564	2.0
315.23242	2.6
333.24127	5.6
335.25830	3.6
351.23203	3.6
353.24832	2.0
365.23602	1.9
367.22556	2.5
369.24072	2.3
385.23660	3.4
413.21732	6.0
417.31409	2.8
432.96466	1.8
435.32559	9.2
453.33456	3.2
478.78632	2.1
496.21344	1.9
509.36185	6.4
525.35254	3.6
527.37280	100.0
528.37726	7.1
539.37335	3.0
543.36145	3.1
545.38031	6.4
569.37946	2.2
611.39185	2.0
635.39020	8.9
639.24213	5.9
653.40308	13.2
671.41376	16.7
689.42340	51.7
690.42896	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	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20043	0.5
52.38228	0.5
53.03937	1.6
55.01879	2.8
55.05252	0.7
55.05503	8.0
57.03432	7.2
61.02909	1.7
65.03915	0.8
67.05165	0.9
67.05500	14.0
69.03421	1.9
69.07061	6.5
69.89993	3.2
71.04989	2.7
73.02904	1.9
73.29711	0.5
77.03912	0.7
79.05488	20.5
79.95720	0.5
81.03412	27.9
81.07050	18.2
83.04978	8.2
83.08128	0.8
83.08613	13.9
85.02417	0.8
85.02900	11.7
85.06507	1.4
87.80645	0.5
91.05476	15.9
93.06454	1.2
93.07038	22.4
95.04352	0.7
95.04961	13.7
95.08602	22.4
97.02869	4.1
97.06533	3.4
97.10152	1.9
97.65773	0.6
99.04440	2.6
103.05438	0.7
105.06361	1.0
105.07019	12.1
107.04958	7.7
107.07858	1.0
107.08591	17.5
108.08946	0.6
109.06502	2.5
109.10146	3.1
111.04445	2.2
111.08049	4.8
113.05988	1.2
115.05455	1.2
117.06993	5.4
119.08575	13.3
121.06503	3.7
121.10134	11.3
123.08015	1.1
123.11684	0.9
125.05981	2.3
125.09656	0.7
127.03843	0.7
127.07558	1.0
129.07004	5.5
130.07761	1.0
131.08569	5.5
133.06479	1.3
133.10118	7.7
135.08043	2.0
135.11687	29.7
137.09659	1.3
139.07550	1.5
142.07767	1.6
145.10117	18.1
146.10501	0.7
146.26492	0.6
147.08046	2.0
147.11662	6.8
149.09595	2.6
153.12755	0.9
157.10124	7.6
163.11172	44.1
164.11516	0.9
165.12704	1.5
173.09584	1.1
175.11179	7.7
181.12209	8.7
193.12239	19.5
201.12749	0.6
209.11760	1.6
211.13283	27.2
212.13640	0.9
227.12773	47.0
228.13206	0.8
267.15897	27.8
268.16275	0.6
275.20102	1.0
283.15387	52.5
284.15671	1.3
285.16937	46.4
286.17215	1.0
349.23578	3.0
475.26929	31.1
476.27228	1.0
493.27930	100.0
494.28314	4.0
633.38342	0.6
658.16046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.6
51.68457	1.6
53.03944	5.1
55.01852	5.2
55.05502	19.4
56.96550	3.4
57.03424	15.0
59.04993	1.9
61.02916	13.7
63.43798	1.6
67.05495	32.8
69.03410	9.2
69.07052	13.3
69.34604	17.2
70.07388	2.4
71.01337	2.2
71.04991	6.6
73.02899	6.0
79.05478	37.1
81.03404	52.2
81.07042	35.7
83.01347	4.7
83.04969	15.3
83.08601	16.1
85.02882	29.3
85.06539	2.9
86.03210	2.5
91.03947	7.5
91.04941	3.5
91.05461	32.2
93.07030	34.0
94.07349	1.9
95.04958	23.1
95.08588	15.6
96.05254	2.0
97.02876	17.6
97.06510	9.0
97.10160	6.1
99.04448	5.7
105.07013	22.0
107.04942	16.8
107.08572	20.7
108.08908	2.1
109.02866	4.7
109.06512	5.4
109.10155	7.5
111.04396	8.2
111.08058	7.3
117.07007	8.9
119.08560	19.8
121.06491	6.3
121.10130	19.4
123.08072	6.4
123.11697	1.7
125.05979	2.3
125.09617	3.8
127.03905	5.0
127.07440	1.8
129.06970	7.4
131.08539	13.2
133.06491	2.8
133.10109	11.4
135.08022	3.8
135.11678	13.3
137.05994	1.8
137.09576	3.1
139.03871	2.6
145.06432	2.9
145.10107	17.5
147.08047	4.8
147.11661	12.7
149.09586	5.1
151.11151	2.2
155.08559	2.4
157.10091	11.9
159.11629	3.0
161.09532	1.9
163.11154	24.9
165.12744	1.8
165.35751	1.8
171.11723	2.0
173.09595	7.3
175.11133	8.6
181.12212	4.3
183.06575	1.9
184.07304	4.2
189.11226	2.0
191.10674	4.6
193.12196	25.3
209.11723	3.3
211.13243	31.4
217.07330	1.9
223.13145	2.2
227.12723	12.5
249.14822	2.7
265.14218	10.8
267.09033	2.5
267.15860	26.3
269.10806	8.0
273.18399	3.7
274.18988	3.4
278.71799	2.1
279.25833	1.8
283.15335	51.4
285.10043	3.6
285.16898	34.0
287.11682	2.1
291.19458	14.3
292.19894	20.0
301.16428	4.5
348.22678	1.8
349.23764	2.8
365.16211	5.6
365.23087	3.2
366.23468	8.4
383.17310	3.5
383.21979	3.6
430.18610	3.4
430.68542	5.4
435.16382	1.9
447.26746	2.0
457.25739	8.3
475.26889	36.2
493.27878	100.0
494.28207	3.8
510.27344	2.4
511.28824	3.0
528.28528	2.4
587.29596	1.8
637.33020	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01871	5.0
55.05501	14.0
56.96558	1.5
57.03420	7.5
57.07076	1.9
58.95963	1.4
59.04996	1.6
61.02909	4.2
65.03922	2.1
66.96384	1.7
67.05161	2.6
67.05498	35.8
69.03422	17.5
69.07063	12.4
70.16228	5.8
71.04977	13.5
73.02903	3.1
77.69247	1.4
77.94857	1.8
79.05487	30.7
81.03416	13.3
81.07049	40.9
83.04975	6.0
83.08627	4.7
85.02901	22.4
85.06524	2.1
87.04475	1.8
91.03931	1.8
91.05466	27.5
93.07028	29.2
95.04965	12.4
95.08589	21.3
97.02887	6.3
97.06541	2.0
97.10179	3.1
99.04428	3.4
103.03931	1.8
103.05448	3.3
105.03383	2.6
105.07021	21.7
107.04942	12.2
107.08581	15.6
109.02863	4.0
109.06493	3.7
109.10158	11.0
111.04422	7.7
115.05483	2.7
116.89314	1.7
116.98662	2.0
117.07003	6.6
119.04928	3.8
119.08571	13.8
120.08086	1.6
121.02855	4.5
121.06500	4.1
121.10146	10.0
123.04440	3.4
123.08036	3.2
123.11697	4.2
127.03897	4.0
129.05437	4.2
129.06995	7.2
131.04944	4.5
131.08585	10.6
133.06453	4.8
133.10114	11.6
134.99602	1.5
135.04376	2.5
135.08061	3.8
135.11693	7.8
137.02327	2.7
137.05946	3.3
139.03912	6.3
141.06952	2.9
143.08546	4.7
145.05000	2.3
145.06480	5.0
145.10118	10.0
147.04376	5.7
147.07985	2.3
147.11679	6.0
149.05992	2.6
149.09581	2.6
149.13217	2.1
151.03879	5.4
151.11285	1.4
153.01849	8.0
153.05530	1.7
155.08519	2.2
157.06491	3.7
157.10121	5.8
159.04381	3.1
159.07974	2.4
159.11711	4.0
161.02353	3.2
161.05890	2.4
161.09633	3.8
161.13298	2.3
163.03885	5.4
163.11166	7.2
165.01833	9.1
165.09142	1.7
167.03416	5.5
169.10083	1.7
171.04338	3.2
171.11751	3.5
173.05901	2.0
173.09656	1.8
175.03847	2.7
175.07486	2.0
175.11168	3.4
177.01912	9.5
177.05440	3.7
179.03432	2.8
181.06606	2.5
183.02892	6.6
183.11777	2.2
185.09587	1.8
185.13173	3.0
187.03935	2.6
187.11192	1.7
189.01831	2.9
189.12762	1.7
191.03407	5.6
193.04936	2.0
193.12372	2.9
195.02881	11.6
195.08026	1.6
199.03912	1.9
199.11234	2.7
201.05486	3.2
203.03427	4.3
205.04887	5.2
207.02902	4.6
207.06404	1.8
211.07394	1.8
215.03491	3.3
217.04973	7.7
219.03091	8.0
221.04431	3.3
227.07159	1.5
229.04939	5.0
230.05624	1.9
231.02855	6.2
231.06516	2.6
232.03522	1.5
233.04427	18.1
235.05896	2.6
241.04973	2.2
243.02888	4.4
244.03685	3.3
245.04407	9.0
247.02260	3.5
247.06001	6.2
249.03899	2.3
251.07343	1.6
255.06395	2.0
257.04486	4.6
258.05276	2.2
259.02313	3.9
259.06052	4.8
261.03900	18.4
263.05414	3.3
267.06485	3.3
267.15903	3.3
271.02417	5.2
271.05963	4.8
272.02884	2.3
273.03885	9.2
274.04626	2.0
274.16125	2.0
275.05557	4.4
275.19974	2.1
281.04456	1.9
283.06018	5.5
283.15475	1.9
285.03983	5.0
285.07486	3.7
285.16907	4.0
286.04379	1.9
287.02261	2.8
287.05588	6.9
289.03394	23.5
290.04041	1.8
293.08078	1.9
295.05963	6.1
297.03879	5.4
297.07361	3.7
299.05536	7.4
301.03558	8.5
301.06653	2.4
303.05029	6.8
307.05835	3.6
309.03946	5.4
309.07651	5.4
311.02060	3.2
311.05508	10.0
311.08798	2.4
312.06409	3.5
313.03436	5.8
313.07205	7.2
315.04886	4.3
317.02863	12.1
318.03696	24.0
319.04330	12.5
321.03943	3.2
321.07581	3.8
322.04791	1.9
323.01706	1.8
323.05515	5.6
325.03391	5.0
325.07016	5.4
326.04111	2.3
327.04999	5.8
329.02908	7.3
329.06509	2.3
330.12778	2.1
331.04401	4.2
333.07458	2.3
335.05096	2.4
335.08960	3.3
337.03326	5.9
337.07071	4.6
338.04086	3.6
339.04944	10.6
339.08554	3.5
341.02927	2.7
341.06555	9.4
343.04532	4.1
347.04596	4.4
349.03287	3.5
349.07053	3.7
349.23709	3.7
351.04938	4.3
351.08740	3.7
353.06573	4.6
355.04419	8.4
357.06158	3.4
363.04803	4.1
363.08765	2.9
365.06491	5.0
365.10373	2.1
367.04343	7.7
367.08298	3.3
367.17593	2.2
369.06125	5.2
375.04636	3.2
377.06265	2.8
381.05759	3.2
389.06369	2.0
393.05759	2.5
395.07404	2.5
409.09116	2.0
419.14856	2.4
421.16397	3.8
431.14856	5.5
433.16284	3.7
435.14102	2.4
437.15787	3.3
440.18723	13.8
440.68823	4.7
443.14957	2.3
447.14276	6.2
449.15839	3.4
451.17389	3.0
459.14099	7.6
461.15765	5.4
463.13919	2.5
465.15268	5.3
471.14120	3.3
475.13693	4.2
476.27127	3.0
477.15518	9.5
479.16876	4.4
481.14948	3.3
483.16812	1.9
487.13608	7.1
489.15286	15.3
493.15027	16.7
493.27316	3.9
494.28268	4.0
495.15909	2.3
505.14783	23.0
507.16586	9.6
509.14484	29.3
511.15909	35.8
512.16083	2.4
515.13177	8.2
521.14301	7.2
523.15930	16.8
527.08148	2.3
527.15533	23.5
529.16986	33.1
531.16455	1.7
533.14386	95.9
534.14563	3.9
535.15997	1.7
539.15442	7.7
545.16022	7.7
547.15875	2.6
551.15430	96.6
552.15582	4.5
557.16382	8.7
569.16479	100.0
570.16937	5.3
573.17505	4.8
575.15363	12.5
581.16907	2.4
587.17426	4.6
591.18250	5.1
593.16486	13.6
601.16858	11.7
619.17914	16.3
637.19312	20.7
655.20319	6.3
691.40967	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	691.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.8
55.01854	6.7
55.05506	13.2
57.03408	6.1
60.35105	1.9
60.35505	1.5
61.02909	7.7
63.64893	1.8
67.05499	32.4
68.99776	3.5
69.03415	13.8
69.07058	13.0
70.06563	2.2
70.80413	5.7
71.04966	8.4
73.02921	3.4
79.05477	25.3
81.03407	17.9
81.07040	32.8
83.04957	7.8
83.08617	4.8
85.02894	30.0
85.06539	2.7
85.75717	1.8
91.03953	4.8
91.05472	22.4
93.07030	21.1
95.04955	13.0
95.08595	15.2
97.02895	10.1
97.06497	8.2
97.10145	5.6
99.04440	3.3
102.11295	2.0
105.07024	16.0
107.04951	9.7
107.08578	15.0
109.02878	5.0
109.06501	4.9
109.10140	9.3
111.04398	3.9
117.06994	8.3
119.04945	2.5
119.08541	11.2
121.06469	3.2
121.10130	10.1
123.04391	2.8
123.11677	2.5
125.09637	4.8
127.03880	6.1
129.05461	2.0
129.07004	4.5
131.04854	2.5
131.08549	8.0
133.06505	4.0
133.10100	8.2
135.04430	4.3
135.08055	5.4
135.11667	4.5
137.02356	2.3
137.05965	4.1
137.09619	2.3
139.03874	7.4
143.04877	2.3
143.08530	4.7
145.06474	3.2
145.10101	8.1
147.04372	9.3
147.08032	2.8
147.11633	4.8
149.05908	1.9
149.09593	6.7
151.03850	7.6
153.01802	12.5
153.05470	2.7
155.08604	2.8
157.06429	2.4
157.10097	3.1
159.04472	2.9
159.07965	2.3
159.11682	4.9
161.05988	2.5
161.09622	3.5
163.03870	5.0
163.11160	2.3
163.81387	1.9
165.01816	9.8
167.03325	2.1
169.10184	2.1
171.11671	4.3
173.05954	4.0
173.13142	2.7
174.42014	1.9
175.03940	2.4
175.07471	2.3
175.11134	2.3
177.01830	5.8
179.03397	4.8
183.02893	6.5
183.07990	2.6
183.11665	3.0
184.07452	2.1
185.72382	1.9
187.03896	2.2
187.52292	2.1
189.09116	2.7
189.11153	4.9
191.03308	2.8
195.02803	6.6
201.12668	2.2
203.03340	4.2
203.93456	2.1
205.04910	4.6
205.12051	2.2
217.04877	4.7
219.02832	3.1
221.04530	2.2
227.12735	4.7
231.02965	2.3
233.04390	8.1
245.04382	7.7
255.06610	2.8
257.07828	2.6
261.03940	4.5
263.05447	3.0
271.05917	6.3
273.03854	6.8
275.20084	6.2
283.05920	5.8
285.04111	3.6
285.07385	3.8
285.10168	3.0
287.05389	3.4
289.03375	8.0
293.04419	2.8
295.05902	4.7
296.06680	2.4
297.03976	4.0
297.07489	4.2
299.05560	4.5
301.03333	5.7
301.06921	3.8
303.05161	2.9
307.09595	2.6
309.03876	5.5
309.07358	2.9
311.05441	6.6
313.03363	2.6
313.06879	4.2
313.11465	2.2
315.04868	5.5
317.02908	4.8
318.03677	4.5
319.04321	14.4
321.03796	3.0
321.07413	3.8
323.05377	6.6
325.03372	8.0
325.07004	3.3
327.04904	4.5
329.02820	8.3
331.04965	2.8
335.05325	3.0
337.03241	5.7
337.06998	4.4
338.04095	10.9
339.04916	13.4
339.08524	3.1
341.06509	8.9
343.04443	7.3
349.03271	4.5
349.23608	19.4
351.01096	2.2
351.05011	5.2
351.08801	2.9
352.05402	2.4
353.06589	6.0
355.04425	8.6
355.08353	2.6
363.04831	2.6
365.06323	3.5
365.10306	2.4
367.04379	12.3
367.24719	4.4
369.05841	6.5
373.14325	3.0
377.06332	2.7
379.04294	2.8
381.05789	7.3
391.04193	2.3
393.05798	2.7
395.07809	2.9
421.16507	2.2
433.16122	2.4
437.15848	4.0
439.13843	2.1
445.16461	3.0
447.14316	3.1
449.15967	6.5
459.14520	3.0
461.15781	6.0
465.15591	9.4
467.13159	6.6
471.14081	3.0
475.13449	3.2
476.27356	2.6
477.15189	7.3
479.17050	9.4
483.16092	9.1
487.13708	4.7
489.15356	18.2
493.14706	11.2
505.14474	9.9
507.16409	25.4
509.14340	12.9
511.15912	45.2
511.27545	3.1
515.13672	4.3
521.14252	4.8
523.15814	10.7
525.17474	12.0
527.15436	7.0
529.16980	100.0
530.17273	4.9
531.16199	4.0
533.14392	36.4
539.15399	5.5
545.16425	8.0
551.15399	46.0
552.15289	2.3
557.16815	6.1
569.16339	19.1
575.16193	6.0
587.17114	6.1
591.18451	3.3
593.19336	4.0
601.16754	5.6
619.17651	7.3
637.19330	9.8
655.19843	2.8
691.39868	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	691.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.6
56.96558	19.5
57.03384	0.6
57.93492	0.3
61.02887	0.5
67.05460	1.1
69.07033	1.0
70.43975	1.5
71.95216	1.7
72.19239	0.3
72.95988	0.4
73.02882	0.4
74.97567	0.7
79.05447	1.4
81.03368	1.4
81.07006	1.3
83.04933	0.5
83.08587	0.9
85.02843	0.9
91.05419	1.2
93.06990	1.2
93.59073	0.4
95.04928	0.8
95.08572	0.8
97.06512	0.4
97.95699	0.3
97.96821	0.7
97.99155	0.4
98.20941	0.7
105.06953	1.2
107.04901	0.6
107.08521	0.7
109.10114	0.4
110.97546	0.6
115.00648	0.8
116.98577	0.6
119.08591	0.8
121.01715	0.3
123.01170	0.4
128.98579	2.1
129.02182	1.3
131.08487	0.5
133.01723	1.8
133.10063	0.7
134.99599	0.5
135.07915	0.4
135.11618	0.5
137.02690	0.5
141.02187	0.5
145.01706	0.6
146.99619	2.3
147.03284	3.7
147.04361	0.7
149.09615	0.5
153.02138	0.7
155.03745	1.4
157.01717	0.9
159.03252	1.5
161.01141	0.7
161.04787	0.9
163.11066	0.5
165.00726	0.6
165.04283	1.0
167.03714	0.7
169.01704	1.0
169.05351	0.8
171.03273	2.8
173.04831	4.7
175.02742	0.9
175.11069	0.5
179.02238	0.4
179.05772	0.5
181.05290	0.7
183.03255	0.8
183.06857	0.5
184.00385	0.6
185.04887	2.1
186.02010	1.1
187.02763	1.6
187.06429	0.5
189.04298	4.7
191.04204	0.5
191.05908	2.6
193.03767	0.4
195.06924	0.6
197.01099	0.4
197.04819	0.9
199.02768	1.5
199.06371	4.6
199.99835	0.5
201.04303	1.0
201.07964	3.8
202.05040	0.7
203.05890	3.8
204.02980	0.9
205.05389	0.5
207.05302	0.6
209.04886	0.7
211.06375	1.6
211.09967	0.8
211.13185	0.6
212.06116	0.4
212.13504	0.5
213.04236	0.6
213.07852	2.1
215.05728	0.7
217.05505	0.7
217.07407	4.9
217.10812	0.5
219.07161	0.4
219.08961	2.3
221.04794	0.5
221.08432	1.0
222.07971	0.5
223.06406	0.8
225.04288	0.6
225.07912	1.3
227.02344	0.4
227.05930	2.0
227.09488	1.0
229.07463	3.2
229.11143	1.3
231.05182	0.4
231.08937	3.1
235.02724	0.5
235.06281	0.6
237.07895	10.4
237.10242	0.6
239.05875	0.6
239.09541	3.6
240.09207	0.4
241.07382	1.1
242.08206	0.8
243.09004	8.6
245.06923	1.4
245.10606	0.9
247.06303	0.4
247.08516	2.1
249.07915	1.1
251.09549	0.8
252.08824	0.5
253.10970	0.7
255.09009	100.0
256.09335	0.9
257.10641	5.6
259.08463	0.9
260.09332	0.8
261.10052	5.1
262.11002	0.6
263.05984	0.4
265.07394	2.1
266.10596	1.3
267.09030	3.4
267.15918	0.6
268.16376	0.5
269.10562	3.1
273.10052	68.3
274.10403	1.1
277.07401	1.0
277.11108	0.4
278.08325	0.6
278.10605	12.2
279.08652	0.6
280.12161	0.4
283.08511	5.9
283.15298	1.1
284.15765	0.8
285.10068	4.0
285.17001	0.6
286.17236	0.5
287.11542	1.1
290.10678	0.5
292.12155	0.7
295.08499	3.5
295.12137	1.1
296.09232	0.7
296.11835	4.2
297.09982	0.5
301.09421	3.2
305.14142	0.9
306.10001	0.5
308.11813	0.6
309.13736	0.4
313.09558	2.5
313.12961	0.6
314.10513	0.5
318.09982	0.5
321.17175	0.8
323.15302	1.1
329.10229	0.5
329.14200	9.8
336.11569	0.4
337.16605	0.5
347.15256	26.3
348.15662	0.6
349.23550	1.1
365.16309	71.6
366.16705	1.2
370.16980	2.7
383.17365	55.4
384.17685	1.2
388.17990	3.0
401.18445	1.6
406.18930	13.0
407.19153	0.7
476.27234	0.5
493.27872	0.4
494.28165	2.5
655.35608	1.0
673.36237	5.4
691.37177	58.2
692.37445	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.4
55.01855	6.2
55.05502	28.2
57.03436	14.9
57.07059	5.7
60.04721	2.3
65.03915	5.6
67.05496	85.4
69.03421	22.8
69.07059	25.1
69.30241	28.9
71.01350	2.4
71.04974	9.8
71.08606	2.1
73.02896	2.8
79.05485	50.6
81.03414	49.0
81.07047	100.0
81.94270	2.2
83.04963	23.4
83.08602	17.9
85.02885	10.0
85.06529	5.7
86.09689	2.8
91.05466	45.7
93.07032	73.2
95.04966	17.2
95.08037	4.7
95.08598	53.7
96.08994	2.6
97.02896	15.0
97.06509	8.9
97.10142	7.1
98.20675	4.4
98.21370	9.3
98.98431	2.8
99.04443	6.8
99.08036	4.8
103.03901	3.0
103.05476	2.7
105.07020	28.2
107.04932	5.5
107.08585	36.2
109.02849	8.8
109.06516	6.7
109.10133	19.7
111.04416	6.8
111.08055	5.6
115.05422	2.6
117.06983	21.5
119.08569	23.1
121.06474	5.0
121.10123	27.9
123.08086	5.5
123.11685	10.2
127.03905	8.7
128.65369	2.5
129.05432	8.7
129.06998	9.0
130.94453	2.0
131.08557	23.6
133.06407	4.0
133.10101	24.0
135.08095	5.5
135.11667	18.6
137.09610	3.1
141.06981	2.6
142.11015	2.5
143.08517	8.0
145.06476	2.4
145.10094	22.2
147.08034	3.5
147.11687	17.4
149.09549	2.5
149.13245	19.1
155.08530	6.9
157.10068	7.3
159.08046	4.0
159.11711	20.0
161.09686	3.1
161.13287	6.0
163.07445	2.3
163.11211	2.7
165.12753	5.7
167.08472	2.9
169.10019	6.4
171.11665	7.4
173.04430	5.9
173.09558	4.7
173.13235	8.6
175.11118	4.0
175.14766	5.4
177.12747	10.1
178.89713	2.1
183.11613	5.4
185.13261	4.3
187.14838	3.6
195.11816	2.5
195.13773	10.1
197.13272	3.6
209.11732	7.2
213.14719	4.4
219.13780	2.8
232.52524	2.3
243.15939	3.5
249.14908	2.8
259.20621	3.0
261.22046	6.1
267.15897	8.3
269.17477	30.0
277.21805	2.6
301.21646	4.3
311.25842	3.3
317.46353	3.2
335.25824	17.7
337.27359	3.1
339.17929	4.0
351.23245	3.3
369.24112	8.7
379.01016	2.4
387.25250	5.6
405.26230	2.9
411.20673	2.6
413.21548	8.2
443.27686	5.0
461.29086	6.0
474.71664	2.5
479.29944	5.4
503.37524	5.2
519.36847	7.7
529.38873	29.0
530.38721	3.7
541.70721	2.4
637.40472	8.5
655.41687	7.5
673.42889	19.6
691.43878	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.4
55.05503	17.5
55.05772	0.9
57.03429	18.1
57.07066	0.9
59.04988	1.5
61.02914	6.0
65.03925	2.0
67.05494	30.7
69.03059	0.6
69.03418	7.4
69.07059	9.3
69.07439	0.6
69.52753	2.1
69.53180	1.0
71.01332	0.7
71.04982	7.4
73.02890	1.1
73.06555	0.3
77.03886	0.4
79.05480	33.5
81.03404	94.8
81.07043	37.8
83.04967	23.9
83.08606	34.7
85.02891	43.0
85.06541	3.0
87.04442	0.6
91.03941	1.8
91.05466	44.9
93.03409	0.5
93.07027	24.9
95.04954	39.3
95.08591	14.6
95.09206	0.5
96.16367	0.3
97.02872	7.6
97.06517	6.1
97.10148	6.5
99.04436	1.3
99.08067	2.0
101.09660	0.4
103.05443	0.4
105.04531	0.6
105.07014	32.8
107.04939	10.7
107.08574	11.0
107.09271	0.8
109.02827	0.4
109.06505	6.8
109.10136	4.2
111.04420	3.8
111.08061	15.6
111.46947	0.4
113.05997	4.4
115.05441	2.4
117.06995	2.5
119.04922	1.1
119.08560	27.4
119.48957	0.4
121.06467	3.0
121.10124	12.8
123.08071	3.7
123.11696	2.6
125.05977	0.6
125.09631	2.8
127.03902	1.1
127.07541	0.9
128.06177	0.8
129.05490	0.7
129.06984	16.8
131.08545	17.0
133.06470	4.7
133.10109	18.0
135.08058	0.9
135.11687	1.0
137.05981	0.4
137.09605	3.2
138.15802	0.4
141.06960	0.6
142.07755	4.1
145.04977	0.6
145.06430	1.0
145.10121	2.8
147.08044	5.0
147.11662	23.1
149.09602	10.1
151.07530	0.6
151.11148	1.1
153.01778	0.8
155.08507	0.5
157.10104	24.1
163.11115	1.7
165.12730	5.2
171.11542	0.6
175.11159	23.8
189.11174	0.5
193.12212	68.7
194.12549	0.7
211.13257	100.0
212.13649	0.9
229.14325	0.6
234.04782	0.4
249.14870	1.3
267.15869	45.5
268.16318	0.6
273.14835	0.6
285.16916	94.7
286.17307	1.0
290.03622	0.4
317.02701	0.4
318.03552	1.5
319.04172	2.2
320.04633	0.9
320.17224	0.4
349.21536	0.7
355.17471	0.5
367.22507	2.9
385.23669	4.7
403.24844	1.3
433.25677	1.6
441.26285	1.6
459.27347	27.8
477.28406	30.5
478.28436	0.5
494.15012	0.7
495.29468	83.1
496.29642	1.8
511.15811	1.6
512.16626	2.5
529.17236	2.2
530.17358	3.4
534.14880	0.7
552.15887	0.5
570.16772	0.7
621.32184	0.5
639.34033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05415	0.4
55.05502	12.4
57.03430	13.5
57.07061	0.6
59.04984	0.7
61.02928	2.7
65.03938	0.9
66.04662	0.4
67.05497	21.6
69.03421	5.6
69.07053	6.9
69.80274	0.5
71.01345	0.8
71.04977	5.1
73.02900	1.1
73.06573	0.5
79.05482	19.9
80.65954	0.5
81.03407	74.7
81.07045	30.2
83.04475	0.7
83.04970	15.9
83.08607	28.3
85.02892	28.8
85.06525	1.7
91.03956	1.3
91.04867	0.9
91.05466	28.9
93.07030	16.2
95.04953	29.9
95.08589	10.6
97.02887	4.9
97.06516	4.7
97.10155	5.1
99.04427	0.9
99.08065	1.5
103.05482	0.9
105.04497	0.7
105.07011	22.7
107.04941	5.5
107.08578	9.1
109.06500	5.8
109.10134	3.7
111.04412	3.5
111.08060	12.7
113.05993	3.6
115.05447	1.2
117.07014	1.3
119.04935	0.6
119.08566	19.8
121.06492	2.0
121.10131	10.8
123.04431	0.5
123.08038	2.9
123.11694	2.2
125.09617	2.2
127.03920	0.8
129.05473	0.6
129.06979	10.9
131.08553	13.1
133.06491	2.7
133.10117	13.2
135.08029	0.8
135.11696	1.3
137.09576	2.6
142.07758	3.0
145.10112	2.3
147.08034	3.7
147.10489	1.1
147.11665	18.9
149.09610	7.6
151.11124	1.6
157.10107	17.6
157.11440	0.9
159.11662	0.7
163.11166	1.1
165.12721	4.5
175.11162	18.2
184.07422	0.8
193.12216	58.4
201.12762	0.6
211.13263	71.9
267.15875	37.9
269.17575	0.8
275.19958	0.8
276.20395	0.8
285.16922	70.7
286.07745	0.5
349.23557	0.8
350.24026	2.0
361.74051	0.6
367.22522	2.0
385.23740	3.4
403.24802	1.2
429.20718	0.8
433.25818	1.3
441.26007	1.6
459.27359	32.3
460.27057	0.5
477.28433	38.6
478.28238	0.9
495.29480	100.0
496.29749	2.2
598.17584	0.5
621.32111	0.8
636.96326	0.5
639.33618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.05508	32.6
57.03145	1.3
57.03426	21.6
57.07077	1.4
59.04975	4.0
60.37052	1.0
61.02913	6.6
63.90106	0.9
65.03923	3.2
67.05499	100.0
69.03416	4.9
69.07059	15.9
71.01335	2.5
71.04988	6.1
71.08586	1.0
71.43325	0.9
73.02924	5.8
76.78367	1.0
77.03869	1.3
79.05486	40.3
81.02963	1.3
81.03408	14.5
81.07050	74.5
83.04977	9.1
83.08613	19.9
85.02411	1.6
85.02895	19.4
85.06521	5.4
87.04467	5.1
91.03933	3.1
91.05470	28.3
93.06457	2.0
93.07038	40.9
95.04961	9.0
95.08604	24.8
95.09201	0.9
97.02889	8.1
97.06528	11.9
97.10162	16.8
98.21439	1.9
99.04447	1.6
99.08054	1.9
103.03911	1.6
105.07027	12.2
107.04944	5.1
107.08586	28.6
109.06503	3.8
109.10149	55.7
111.04402	2.8
111.08067	7.7
113.05963	1.6
116.04707	1.7
117.06990	8.7
119.08581	10.5
121.06470	2.8
121.10128	11.0
123.08053	2.8
123.11700	4.7
125.09609	13.5
127.03886	1.6
129.05479	6.8
129.06996	2.4
131.08566	8.4
133.10126	11.8
135.07996	2.3
135.11670	10.9
137.09564	2.8
143.10635	2.6
145.04887	1.0
145.06471	1.0
145.10136	5.0
147.08076	1.1
147.11687	6.8
149.09627	2.9
149.13251	13.1
151.11137	2.2
153.12695	4.3
155.10587	2.3
159.11684	6.8
163.11140	7.9
165.12740	3.5
171.11700	1.0
173.04576	0.8
173.09546	1.5
173.11761	13.5
175.11261	1.1
177.12724	4.3
181.12286	2.4
191.10677	2.3
193.12183	5.3
195.13808	13.8
199.13278	7.0
209.11734	8.1
211.13287	4.0
213.14761	2.1
227.12759	7.8
229.14336	49.9
239.16389	3.7
257.13791	1.7
267.15891	9.1
269.17459	58.9
283.15408	6.7
285.16803	1.6
297.16895	1.5
301.16422	14.3
313.16562	1.5
323.18393	1.1
357.23972	1.7
393.26224	2.0
411.27490	6.9
423.27405	32.8
431.27692	1.2
477.28442	2.8
495.29495	66.1
513.30597	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	693.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01850	0.5
55.05504	2.2
56.17373	0.3
57.03422	2.6
61.02917	3.2
65.83047	0.4
67.05495	6.2
68.05849	0.5
69.03425	3.2
69.07059	1.5
71.01343	0.5
71.04984	1.6
71.62411	0.6
73.02902	2.7
79.05485	5.0
79.05899	0.5
81.03410	5.1
81.07045	5.6
82.07374	0.8
83.04980	2.0
83.08613	2.0
85.02888	6.4
85.06571	0.4
90.57670	0.4
91.03937	2.5
91.05472	4.9
92.05782	0.3
93.07030	5.2
94.07385	0.6
95.04966	2.9
95.08602	3.0
97.02876	4.0
97.06541	1.0
97.10156	0.8
99.04432	1.0
101.02378	1.4
105.07021	3.2
107.04933	0.9
107.08622	1.7
109.02875	0.5
109.06528	0.4
109.10150	1.4
110.10462	0.5
110.24757	0.3
111.04435	0.4
111.08076	0.8
113.70359	0.3
117.06997	1.0
119.08597	2.3
121.06519	0.5
121.10141	1.4
123.04408	0.5
123.08055	0.6
127.03920	1.5
129.05482	0.8
129.06987	1.9
131.08574	1.3
133.10115	2.1
135.08089	0.4
135.11722	0.9
139.03877	1.2
140.83224	0.3
143.08536	0.5
145.05002	0.4
145.10132	0.7
147.04382	0.4
147.08014	0.6
147.11661	2.7
149.09657	0.5
149.13194	0.4
157.10172	1.5
159.11659	0.6
163.11227	0.6
171.11714	1.0
173.06042	0.4
175.11259	1.0
177.05402	0.5
184.07368	0.7
185.04314	0.5
189.12769	0.4
189.83679	0.4
193.12219	1.8
195.13792	0.9
203.05240	0.5
207.13718	0.4
209.11757	0.7
211.13356	1.1
214.58430	0.4
243.08438	1.7
247.13107	1.4
251.12653	0.6
267.15988	0.4
269.17548	1.1
270.17917	1.3
285.17093	0.7
301.16461	0.4
307.15161	0.4
329.75052	0.4
335.03333	0.4
412.27942	0.6
423.27826	0.6
424.27551	1.7
460.27783	0.6
465.20911	4.9
469.20438	9.3
478.28586	1.2
495.29681	0.9
496.29721	2.2
693.34442	100.0
694.34650	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	694.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91467	4.1
71.28709	10.0
181.11632	4.5
225.10139	6.8
239.91142	4.3
388.73468	5.0
475.21082	17.3
476.21838	9.8
503.20840	8.8
535.23285	8.5
563.26196	8.9
579.25842	9.7
595.25256	9.3
606.28442	27.0
608.29578	6.8
609.27136	7.2
621.26563	5.7
622.27844	100.0
623.26843	6.0
637.26331	19.1
638.26849	19.7
654.26825	10.6
694.28485	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	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
54.86348	2.0
54.86663	1.7
55.01861	10.6
55.05503	32.1
55.67469	1.8
56.96550	5.7
57.03430	41.5
57.07066	6.2
59.04993	3.0
61.02919	42.3
62.33434	1.8
65.03928	4.2
67.05498	99.6
69.03423	33.0
69.07063	29.9
69.32114	14.5
69.32537	8.8
71.04982	13.1
73.02914	19.7
75.04478	26.3
79.05484	77.3
81.03413	35.4
81.07049	100.0
83.04971	15.4
83.08602	19.6
85.02892	90.2
85.06535	4.4
86.03291	2.4
87.04462	2.3
91.03944	60.8
91.05468	64.2
93.05508	80.7
93.07029	92.2
95.04963	22.7
95.08591	76.2
97.02888	44.5
97.06537	10.1
97.10161	6.4
98.21111	11.1
98.53059	1.8
99.04434	9.9
99.08060	4.4
103.03939	7.4
105.07020	60.4
107.04955	6.2
107.08583	62.4
109.02876	9.5
109.06487	10.5
109.10143	36.6
109.10874	1.4
111.01900	1.9
111.04427	13.2
111.08088	8.0
113.02367	1.9
115.03936	3.3
115.05507	3.7
116.88794	2.3
117.07001	40.5
119.08566	47.2
121.06506	9.5
121.10130	50.9
123.04401	3.3
123.08060	8.1
123.11729	11.4
125.02374	2.5
125.09618	4.9
127.03899	31.3
128.06216	3.1
129.05464	5.8
129.06999	14.8
131.04869	2.5
131.07571	3.1
131.08556	52.2
133.06476	8.6
133.10107	43.6
135.08012	8.5
135.11678	32.6
137.05963	3.0
137.09601	5.8
137.13219	3.5
141.06973	6.7
142.07794	4.0
143.08537	20.8
145.04951	36.7
145.06439	5.7
145.10107	37.8
147.04413	3.8
147.08034	7.8
147.11678	33.9
148.12022	2.5
149.09595	9.2
149.13239	19.7
151.07553	4.0
151.11162	4.6
153.09018	3.7
155.08530	10.4
157.06476	4.6
157.10097	16.7
159.08049	3.5
159.11659	34.3
161.09634	5.7
161.13203	18.4
163.06013	74.1
163.07393	4.7
163.11212	5.4
163.14798	4.2
165.09137	2.7
165.12732	3.1
167.08456	4.8
169.10133	8.0
171.07968	6.2
171.11658	15.3
173.06012	2.5
173.09627	6.4
173.13185	21.7
175.07542	2.3
175.11174	5.9
175.14850	5.1
176.25803	2.1
177.12746	4.4
181.10152	6.2
181.12325	1.9
181.34456	2.1
183.11699	11.6
185.09579	3.9
185.13269	12.8
187.11198	5.5
187.14774	11.3
189.12756	6.0
191.10646	2.5
193.12256	4.1
195.11652	3.7
195.13771	4.2
197.09618	3.5
197.13287	5.9
199.11263	5.3
199.14796	9.7
201.12793	3.3
201.16371	3.5
203.10686	3.1
203.14325	2.3
204.18196	2.2
207.11713	3.6
209.13264	4.5
211.14761	6.5
213.12724	5.0
213.16377	2.9
215.14223	3.1
217.15836	2.7
221.15358	2.4
225.12706	5.0
227.14334	2.8
231.13672	2.5
235.13197	5.2
241.19510	6.2
243.21100	5.9
247.08324	2.3
249.14816	6.0
253.19499	2.3
255.10744	18.8
259.20648	11.1
261.22110	21.0
267.09076	4.4
271.20529	5.3
273.22186	6.8
275.16223	2.3
275.20026	4.8
275.23593	2.4
277.14386	5.1
277.21741	14.7
279.23267	2.7
283.20602	4.8
285.09982	5.8
285.22043	3.3
289.21500	10.5
291.19952	2.9
291.23187	13.4
295.15302	5.0
297.22031	4.3
299.23676	3.2
301.21564	11.3
303.23193	15.5
305.17245	2.4
309.22195	3.1
313.21616	5.2
315.23135	12.1
317.17416	2.6
319.22821	6.6
323.23752	6.3
327.23196	9.4
331.15976	2.5
331.22678	3.9
333.21887	3.0
335.25702	6.1
341.24878	12.3
345.24283	9.7
349.16583	5.1
349.24289	2.5
350.17407	5.3
351.23160	21.7
357.24225	3.8
359.26071	3.5
363.25174	3.2
365.16376	5.3
367.18018	10.5
368.18311	7.8
369.19452	4.9
369.24149	73.1
387.25229	64.7
388.17746	2.8
390.19397	4.2
405.26291	97.4
423.27383	40.2
424.27808	2.7
497.30902	9.3
567.31311	4.4
694.33527	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	694.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11506	1.2
53.03924	2.5
55.01862	2.7
55.05503	16.0
57.03430	17.3
57.07057	1.7
58.70670	1.1
59.04982	3.6
59.82063	1.2
61.02918	7.7
65.03921	2.7
67.05495	100.0
69.03423	6.1
69.07067	12.9
70.74825	4.6
71.04986	29.7
73.02909	2.0
79.05048	2.1
79.05481	34.5
81.03407	49.6
81.07045	41.9
83.04967	17.7
83.08607	22.4
85.02889	28.8
85.06525	6.3
86.09688	4.4
91.03935	2.8
91.05470	41.4
93.07032	34.3
95.04955	25.4
95.08595	21.6
97.02863	7.3
97.06525	8.4
97.10131	3.6
98.37584	1.4
99.08070	3.3
105.07018	23.9
107.04944	10.0
107.08575	16.1
109.02840	1.5
109.06488	6.1
109.10139	76.9
111.04411	2.2
111.08063	13.1
113.05979	1.4
117.06984	3.4
119.08566	30.2
121.06480	2.3
121.10144	14.6
123.08029	3.3
123.11709	2.9
124.99873	2.6
125.09618	3.2
129.06975	12.9
131.08557	13.6
133.06468	3.0
133.10109	17.4
135.08015	2.4
135.11674	18.7
137.09616	11.4
139.03885	2.0
142.07761	3.2
143.08543	2.0
145.10078	7.1
147.07986	3.1
147.11671	15.6
149.09567	6.1
149.13223	1.6
151.11136	1.6
153.12669	1.5
155.08578	1.6
155.10620	4.1
157.10120	16.3
163.11208	7.6
163.64258	1.3
165.12782	2.3
173.11740	13.3
175.11156	15.3
181.12190	3.7
184.07300	18.1
193.12210	36.8
206.57266	1.3
211.13268	42.8
227.12674	1.6
229.14285	5.2
243.15887	2.9
249.10818	2.2
255.15820	11.2
267.15887	24.7
268.16144	1.4
269.17413	4.3
285.09964	1.9
285.16931	28.1
287.18512	22.7
375.25284	1.4
403.24484	3.2
409.16232	1.6
421.25812	33.7
429.26154	1.9
439.26852	90.2
440.26987	1.9
447.27365	41.2
448.27225	2.1
453.28360	10.4
461.28928	8.1
465.28400	68.5
466.28336	1.9
467.18732	2.7
469.20331	2.1
479.30014	12.9
497.30994	73.7
498.31000	2.1
569.59167	1.6
644.35120	2.2
694.38995	3.8
695.32288	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	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.05503	12.6
57.03438	5.5
57.07060	3.9
61.02918	27.9
65.03921	2.5
67.05498	64.1
69.03410	3.8
69.06757	1.4
69.07065	13.2
69.50822	5.0
69.51250	4.3
71.04976	2.3
71.08614	1.5
73.02920	9.4
79.05489	29.8
81.03412	2.1
81.07051	72.5
83.04993	1.6
83.08627	7.3
85.02897	32.7
85.06556	2.4
91.03947	27.8
91.04934	1.7
91.05464	17.9
93.07035	45.7
95.04939	3.7
95.08598	54.0
97.02872	15.1
97.06519	3.5
97.10146	4.4
99.04448	1.1
99.08083	2.7
103.05444	1.1
105.07027	13.3
107.08585	31.7
109.02843	1.1
109.06497	2.0
109.09449	2.2
109.10145	35.2
111.08079	1.8
111.11742	1.3
113.09663	1.9
115.03938	1.4
117.07026	7.3
119.08569	15.0
121.10130	32.1
123.08048	1.3
123.11701	19.4
125.09614	2.4
126.85294	1.0
127.03899	11.4
129.52817	1.0
131.08545	18.9
133.10117	14.1
135.11678	27.7
137.09692	1.4
137.13231	7.3
139.11140	2.1
142.99788	1.1
143.00987	1.1
143.08485	1.3
145.04930	15.3
145.10120	13.9
147.11647	10.6
149.09753	1.3
149.13231	19.9
151.11143	2.8
151.14786	3.5
153.12703	2.3
153.78453	1.1
159.11674	11.4
161.13223	9.8
163.06003	24.9
163.14822	14.1
165.12668	2.9
173.13239	14.5
175.14816	3.9
177.12840	1.4
177.16393	6.0
179.14426	2.4
184.07352	2.0
187.14755	9.4
189.16389	1.3
190.87106	1.3
191.14250	2.4
201.16301	2.6
205.15904	1.5
209.15337	1.4
215.17946	1.7
223.16841	1.4
233.22627	2.1
243.21043	37.9
244.21303	1.4
261.22119	100.0
262.22409	2.1
275.20197	1.8
279.23196	6.9
317.24872	1.5
335.25748	38.5
343.78452	1.3
353.26825	69.7
354.27124	1.3
497.31122	7.1
510.45453	1.2
510.53116	1.2
671.83929	1.3
702.89514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01854	9.7
55.05502	33.3
57.03434	13.0
57.07063	5.5
57.88250	2.9
65.03924	5.7
65.81837	2.7
67.05495	92.7
69.03403	6.3
69.07057	43.5
71.04990	6.5
71.08649	2.7
71.36582	4.5
79.05486	73.3
81.03413	10.9
81.06567	5.7
81.07048	100.0
82.07373	3.0
83.04967	14.5
83.08612	21.5
85.06557	5.3
85.49046	2.7
86.09695	5.8
91.05470	58.9
93.07032	71.8
95.04959	18.8
95.08596	50.8
97.06506	21.8
97.10156	9.2
99.08083	4.6
105.07021	48.2
107.04945	12.4
107.08580	49.8
109.06493	13.5
109.10136	17.2
111.08088	6.6
117.06986	18.5
119.08573	40.2
121.06461	7.8
121.10136	28.5
123.08054	7.1
123.11688	5.0
124.99973	4.2
125.09619	7.5
128.06248	3.3
129.06975	6.4
131.08549	30.3
133.10101	28.0
135.07999	3.3
135.11707	21.0
137.09589	6.6
141.06966	4.6
143.08549	8.2
145.10101	24.0
147.08005	3.3
147.11691	16.0
149.09656	19.5
149.13234	11.4
151.11220	3.8
155.08568	5.6
157.10114	8.0
159.11667	13.0
161.13263	6.4
163.11142	11.9
165.12653	2.9
169.10149	6.0
171.11673	8.2
173.13216	6.5
175.11172	3.9
177.12744	5.1
179.14330	5.9
181.09984	3.1
181.12234	3.5
183.11720	5.0
184.07297	19.9
185.13229	8.6
195.13805	9.8
199.14816	3.9
227.12712	8.3
229.97762	2.7
235.16833	3.1
239.17979	4.9
247.20615	2.7
253.14397	3.8
255.15846	18.8
257.19016	9.9
267.15976	5.3
269.17435	33.3
273.76675	3.5
275.20032	43.3
313.21545	4.4
331.22470	3.4
349.23694	35.5
367.24731	8.6
435.27747	3.7
449.28964	19.9
463.30261	21.2
473.61279	3.0
525.35437	3.7
529.35114	8.3
543.36798	24.5
561.37567	4.7
589.55402	2.7
694.46521	7.6
710.17413	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	695.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
58.76268	0.2
65.13048	0.2
69.07028	0.4
70.81356	0.7
71.04962	1.0
77.54797	0.2
81.03365	0.3
85.02888	1.7
90.08907	0.2
91.05467	0.3
94.06550	0.3
95.04908	0.6
96.04451	0.4
97.02832	0.5
100.81093	0.2
108.04465	3.3
108.08051	0.5
111.70834	0.2
119.08635	0.3
120.08035	0.3
122.05965	0.7
127.03883	0.3
136.07556	1.0
137.05945	0.4
138.05440	0.8
140.06999	1.2
145.06358	0.2
146.05997	1.6
147.04341	0.3
148.03860	0.4
148.07544	0.9
150.05502	0.4
164.06975	0.5
166.04930	0.7
168.06538	4.0
174.05482	0.8
178.08606	0.3
181.08809	0.2
196.11220	0.3
198.09296	0.3
198.11418	0.2
199.08614	1.3
204.06590	0.5
206.08118	1.6
209.08319	0.3
210.09315	0.3
211.08635	5.0
211.12302	0.8
212.09209	1.1
213.10187	2.0
214.11005	0.7
221.10649	0.8
222.09184	1.7
223.08557	0.9
223.12236	0.6
224.07307	0.3
224.11031	1.5
225.10179	5.1
226.07225	0.5
226.10860	0.5
227.08151	2.0
227.11755	0.4
228.08795	0.4
229.09660	0.2
237.10240	0.4
239.07985	0.7
239.11754	7.2
240.08908	0.9
240.12463	0.8
241.09700	2.4
241.13367	0.9
242.10571	1.2
249.10135	0.8
250.08594	1.3
251.08119	1.2
251.11739	0.2
252.08925	1.1
252.10052	0.9
253.09666	5.4
254.08057	0.3
254.10387	1.0
255.11136	1.0
256.12039	0.5
257.08862	0.3
257.12845	0.8
259.14542	0.3
261.80692	0.2
267.07910	0.5
267.11258	11.7
268.09506	0.3
268.12033	0.7
269.09256	0.6
269.12796	1.7
279.11185	0.3
280.08786	0.3
281.09100	0.8
283.10779	0.5
284.11539	0.7
285.09143	0.4
285.12305	1.7
287.05435	1.2
287.13904	0.7
288.05679	0.4
295.10742	5.7
296.09024	0.4
297.12250	0.9
298.10587	0.4
299.10239	0.6
303.05066	1.2
303.13297	0.5
304.05463	0.5
305.14868	1.6
313.11777	39.1
314.12372	1.2
315.13348	1.0
323.10297	1.5
327.13336	0.4
341.11285	12.9
342.12085	2.9
345.14273	0.2
355.12900	2.1
359.12329	7.3
365.01584	0.9
366.01962	0.4
373.13898	100.0
374.14301	2.4
375.15588	0.6
381.00970	0.3
382.01349	0.3
383.02567	0.4
387.10675	0.6
627.24518	0.8
641.25848	0.3
645.25531	1.8
659.26935	1.0
663.26398	0.9
677.27814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
58.79869	0.4
62.09748	0.4
67.05476	0.5
67.51317	0.4
69.03413	0.7
70.89342	0.7
70.89679	0.7
71.04961	0.8
73.02921	0.6
79.05463	0.9
80.05003	0.6
81.03400	2.3
85.02885	1.5
91.05491	0.6
93.05765	0.8
93.07020	0.8
94.06558	2.2
95.07307	0.5
96.08093	1.8
97.02869	0.9
103.05470	0.7
105.07088	0.5
106.06540	0.5
107.07313	1.1
108.07415	0.5
108.08112	7.7
109.02861	0.7
110.09674	2.4
117.68037	0.4
118.06506	0.9
120.04432	1.0
120.08111	4.5
121.06535	0.4
121.08834	0.7
122.06025	4.2
122.09653	3.4
124.07537	0.8
132.08080	0.9
134.09657	0.6
135.06638	0.4
136.06604	0.8
136.07567	8.6
138.09117	4.6
146.05991	0.8
148.07561	4.2
150.09134	3.2
152.07043	1.2
152.10600	0.6
162.05524	0.5
162.09090	0.8
164.07027	1.8
166.08624	5.3
168.10147	0.8
178.08646	0.8
180.10124	1.0
182.11845	0.6
195.09018	0.5
196.09758	0.5
197.10710	0.9
208.09784	0.5
209.10712	0.8
210.11241	0.6
211.08684	0.8
211.12303	1.1
212.09451	0.9
212.13011	0.5
213.10260	1.3
223.08684	1.2
223.12254	0.7
224.09303	0.8
225.10164	4.8
226.10979	1.4
227.11795	1.8
235.08641	1.5
235.12282	0.6
236.09438	1.4
237.10211	8.7
238.11040	2.1
239.08203	1.1
239.11760	7.2
240.12546	0.7
241.09677	1.2
241.13313	0.9
248.09460	0.6
249.10260	6.4
250.10968	2.3
251.08284	2.2
251.11797	7.8
252.08972	1.1
252.12589	1.8
253.09703	5.3
253.13278	2.4
255.11237	2.7
261.10233	2.2
262.10867	0.9
263.08215	0.9
263.11795	3.7
264.08951	1.6
264.12598	0.5
265.09756	8.8
265.13376	2.2
266.10474	2.0
266.14249	0.8
267.11270	11.7
268.11975	1.0
269.09207	0.6
269.12802	1.7
271.10748	1.2
275.11661	0.6
277.09680	4.1
278.10474	3.2
279.08066	0.5
279.11237	10.6
280.09229	0.5
280.12021	2.7
281.09241	1.4
281.12857	6.6
282.10043	1.1
282.13440	0.9
283.10818	1.9
283.13922	0.6
285.12253	1.5
286.08990	0.4
287.13773	0.8
289.09647	2.0
291.07703	0.7
291.11237	2.0
293.09207	3.0
293.12854	5.7
294.09985	2.4
294.13251	0.8
295.10767	2.8
295.14355	2.7
296.11429	2.1
297.12302	2.8
299.14093	0.5
300.11038	0.6
305.09308	0.9
306.09933	0.8
307.10733	4.4
308.11478	1.4
309.08994	0.6
309.12289	4.9
310.13013	0.6
311.10312	1.5
311.13974	2.4
312.11136	0.9
312.14597	0.7
313.11945	1.2
314.12616	0.9
315.13504	0.8
316.14255	0.6
317.09119	1.0
318.09894	0.7
319.10712	1.5
321.12222	2.7
323.10349	0.8
323.13837	1.5
324.11111	1.0
325.11792	3.1
326.12729	3.2
327.13394	2.7
328.14304	1.1
329.15179	1.4
330.16000	1.0
335.10236	1.5
337.11847	1.3
339.13348	7.9
340.14514	0.9
341.14920	9.9
342.12201	0.5
342.15909	1.0
344.14084	0.6
344.17596	1.1
346.19373	0.9
349.11749	1.1
351.13394	0.7
352.14456	0.7
353.11252	1.0
353.15189	1.3
354.16013	0.8
355.12894	1.5
356.13885	1.0
356.17795	0.8
357.14536	1.0
358.15659	1.0
360.17090	0.6
367.12793	2.2
368.13770	1.0
369.14557	1.2
370.11487	0.5
370.15543	1.0
372.16931	1.3
373.13919	1.3
374.14441	0.6
374.18552	1.5
379.13129	0.9
381.14401	4.1
382.15445	0.9
383.16125	1.6
386.14697	0.9
387.15384	0.8
388.16461	0.7
390.18118	0.6
393.14288	0.6
396.12897	0.6
397.13837	0.9
400.16565	1.4
402.18375	1.0
405.14505	1.1
409.13800	2.1
411.15414	2.2
413.16943	1.3
414.18283	1.4
418.17499	0.7
423.15555	1.7
424.16418	0.6
428.15741	0.7
429.16669	0.7
432.19113	1.5
433.13998	1.2
435.15494	0.6
437.13110	0.8
439.14780	1.1
441.16479	6.0
442.17383	0.6
443.18372	0.9
448.22522	1.0
451.15045	1.7
453.16602	1.1
455.14355	0.7
457.16095	0.8
458.16873	1.1
460.18759	2.0
461.19272	0.9
465.16595	1.0
469.16147	3.4
470.17056	1.0
471.17542	1.5
473.19333	0.7
474.20090	0.5
475.21143	0.6
476.22086	1.1
479.14621	2.9
481.16357	1.0
483.17728	3.2
488.17743	0.6
497.15649	0.6
499.17242	1.1
501.18692	7.6
511.17273	1.9
516.21320	1.4
517.17914	0.5
529.18268	1.8
544.20667	0.6
546.22363	0.6
562.22241	0.6
564.23456	0.6
576.23395	2.3
586.21851	0.6
592.22369	0.6
593.23889	0.8
596.19598	0.6
604.23041	4.1
608.26355	0.7
614.21234	1.5
621.22882	1.7
623.24622	2.3
632.22498	4.2
636.25513	17.3
664.24957	100.0
665.25226	1.9
682.26239	2.8
695.50598	0.7
696.27563	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01863	1.3
55.05255	1.0
55.05505	12.9
55.91665	0.6
57.03428	6.9
57.07068	7.4
61.02919	21.0
65.03926	1.2
67.05497	55.0
69.03407	3.0
69.07059	22.0
71.04981	2.3
71.08626	5.5
71.15955	1.9
73.02901	7.6
75.04465	0.7
79.05051	1.1
79.05482	15.4
81.03397	1.7
81.07048	72.2
83.04984	1.4
83.08613	15.7
85.02894	25.9
85.06531	2.3
85.10161	2.3
91.03948	20.7
91.05472	13.3
93.07034	20.5
95.04945	1.7
95.08595	57.8
96.08884	0.7
97.02880	12.6
97.06526	5.6
97.10162	11.1
99.04417	1.3
99.08097	4.1
101.02348	0.7
103.03961	0.6
103.09034	0.6
105.07027	9.1
105.07688	1.2
107.08582	14.6
109.02847	0.6
109.10140	33.6
111.08063	3.9
111.11751	3.1
113.09610	2.2
115.03871	1.7
119.08565	11.8
121.10131	19.2
121.11012	1.1
123.08080	0.9
123.11693	17.8
125.09587	1.3
125.13270	1.3
127.03889	9.4
127.11179	1.5
129.05476	0.7
131.08556	1.0
133.10117	13.2
135.11690	12.6
137.09589	1.6
137.13232	7.9
139.11150	1.1
141.12700	2.6
145.04948	11.1
147.11670	11.4
149.13255	8.2
151.11191	1.6
151.14803	6.1
153.12672	1.1
155.14267	3.4
161.13229	11.6
163.05989	19.2
163.14815	8.6
165.12749	1.4
165.16388	7.7
167.14163	0.8
171.13770	0.7
175.14807	10.4
177.16423	1.8
179.14368	1.6
179.17931	5.0
181.15825	1.0
189.16373	4.8
193.15813	1.9
203.17871	1.1
217.19489	2.6
245.22632	57.3
246.22910	1.3
247.24197	1.0
263.23672	100.0
264.24017	2.0
264.88205	0.6
265.25269	2.5
281.24731	4.0
337.27325	67.1
338.27698	1.9
355.28378	19.1
376.57883	0.7
463.30048	0.9
499.32544	6.0
649.86804	0.7
683.83801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01858	0.4
55.05515	0.9
57.03433	1.8
58.00840	0.2
59.52057	0.2
61.02922	4.4
65.03935	0.2
67.05501	2.4
67.36346	0.1
69.03421	2.7
69.07056	0.7
69.44595	0.4
69.45007	1.2
71.01341	0.3
71.04976	0.6
73.02913	3.0
79.05484	2.4
81.03412	5.4
81.07045	2.9
83.04987	1.3
83.08616	1.8
85.02898	6.6
85.06501	0.2
87.04472	0.3
91.03949	2.9
91.05469	3.3
93.07047	1.7
95.04958	2.4
95.08591	1.1
97.02882	3.8
97.06528	0.6
97.66924	0.2
98.20827	0.5
98.21508	0.3
99.04446	0.8
101.02370	1.9
103.03925	0.4
105.07021	2.6
107.04970	0.9
107.08598	0.8
109.02858	0.9
109.06519	0.7
109.10155	0.4
111.04430	0.3
111.08076	0.9
113.05989	0.3
115.03928	0.2
117.07002	0.2
119.08585	2.0
121.06462	0.2
121.10144	1.0
123.08097	0.4
123.11695	0.4
127.03901	1.3
129.05466	0.2
129.07011	1.3
131.08534	1.2
133.06551	0.2
133.10138	1.8
137.05902	0.2
137.09644	0.2
139.03899	0.5
145.04930	0.4
145.10088	0.2
147.08076	0.4
147.11687	1.9
149.09631	0.7
157.10124	1.9
164.87019	0.1
165.12758	0.2
173.38464	0.2
175.11147	1.6
178.49596	0.2
185.04205	0.7
193.12234	2.4
203.05310	0.5
211.13274	1.2
221.11589	0.2
241.06367	0.2
243.08374	2.5
251.12547	2.0
259.08163	0.2
269.12430	0.2
285.10190	0.2
285.17078	0.6
289.09375	0.3
301.08911	0.2
307.15164	1.0
359.15402	0.3
447.22614	0.3
469.20438	14.8
470.20789	0.2
478.08594	0.2
535.29205	0.4
567.37085	0.2
697.33948	100.0
698.34448	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	702.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.6
56.12426	0.2
58.06362	0.2
58.06603	0.5
59.07394	0.2
60.07874	0.4
60.08158	5.4
62.27505	0.2
70.21307	0.8
71.07365	2.8
76.00160	0.2
79.05450	0.2
86.09693	29.2
93.57555	0.2
98.21223	0.4
98.98448	2.7
101.78374	0.2
104.10739	2.3
124.99985	18.5
133.08405	0.2
143.01088	0.3
143.11140	0.2
152.92404	0.2
166.02666	0.3
184.07314	100.0
185.07646	0.6
190.80072	0.2
264.53125	0.2
338.98630	0.2
355.50516	0.2
496.33914	0.3
702.46924	12.4
703.46973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28393	2.2
53.03942	15.7
55.01862	7.9
55.05502	32.1
55.42936	2.9
57.03434	22.6
57.07047	3.2
61.02904	2.9
65.03924	8.5
67.05501	100.0
69.03420	42.8
69.07065	20.6
71.04989	9.9
73.02917	3.5
73.06543	3.0
79.05486	99.9
81.03408	53.9
81.07050	81.9
83.04977	19.9
83.08605	10.3
85.02886	20.0
85.06538	5.4
91.05473	82.9
93.07037	98.9
95.04958	33.4
95.08597	60.9
97.02872	11.6
97.06518	8.1
97.10163	4.6
98.21449	5.7
99.04430	5.9
101.02351	4.0
103.03976	2.8
105.07015	48.7
107.04928	13.4
107.08591	39.6
109.02895	4.8
109.06529	7.4
109.10159	19.2
111.04404	5.6
111.08050	2.9
115.05435	5.8
117.06994	25.8
119.08575	37.7
121.06480	8.6
121.10120	24.0
123.08063	5.2
123.11749	3.0
125.09626	3.5
126.78884	2.9
127.03914	10.1
128.06238	4.9
129.05472	3.2
129.06963	28.1
130.07791	3.4
131.04964	2.5
131.08565	25.8
133.06473	6.6
133.10107	15.6
135.11642	13.1
141.07043	6.9
143.08536	18.9
145.06487	9.7
145.10103	22.4
147.08041	5.5
147.11696	25.6
149.09589	2.7
149.13332	6.5
155.08551	4.2
156.09627	2.7
157.06485	4.6
157.10114	6.5
159.08040	7.6
159.11693	9.3
161.09782	4.3
161.13249	8.4
167.08597	3.8
169.10124	4.3
170.73135	2.6
171.08031	5.2
171.11682	19.0
173.04477	9.3
173.13237	7.7
175.14822	4.2
181.10042	3.8
184.07410	3.5
185.13339	5.6
187.14864	3.2
189.12767	6.8
197.13255	5.0
207.11975	4.0
207.13742	16.9
209.13301	3.1
211.15053	3.0
223.14902	3.4
225.14793	3.8
227.14325	3.0
228.20465	2.6
241.15833	5.0
259.16885	8.8
259.20337	2.8
261.22205	7.4
269.15323	10.1
281.17474	20.1
287.16479	14.0
335.25766	88.2
361.20044	6.4
379.21014	3.9
425.21567	7.6
432.88025	3.1
541.30621	3.4
541.38831	63.7
555.40619	5.6
583.40289	3.2
621.41370	4.8
685.42767	3.4
701.51764	3.0
703.44403	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	703.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.3
55.01862	5.4
55.05257	2.8
55.05505	35.4
57.03432	19.3
57.07071	4.4
65.03937	5.2
65.24811	2.4
67.05500	95.3
69.03425	34.7
69.07062	21.0
69.28865	2.2
69.60282	19.3
71.04970	9.7
71.08595	3.5
79.05485	86.1
79.64169	2.4
81.03408	59.2
81.07049	94.3
83.04971	22.0
83.08604	11.3
85.02894	20.3
85.06536	4.0
87.04453	3.3
89.06030	3.3
91.05474	87.7
91.06055	4.3
93.07034	100.0
95.04958	33.7
95.08597	70.8
95.09051	1.4
97.02892	13.1
97.06512	5.3
97.10145	6.0
98.20747	4.7
99.04439	9.5
105.07018	49.6
107.04905	12.8
107.08588	35.9
107.19767	2.6
109.02856	9.2
109.06511	8.9
109.10159	19.6
111.04426	3.4
115.05434	6.7
117.06997	26.9
119.08563	30.9
119.14474	2.8
121.06483	8.4
121.10130	26.0
123.04424	2.8
123.08064	7.0
123.11671	5.4
124.99986	2.4
127.03928	8.6
128.06195	9.5
129.05464	6.4
129.06985	26.6
131.04929	3.9
131.08549	25.4
133.06490	7.9
133.10109	20.7
135.08023	3.8
135.11676	13.6
137.09595	3.3
141.06995	7.2
142.51022	2.9
143.08556	14.9
145.06465	5.9
145.10101	17.4
147.08009	5.7
147.11674	28.9
149.13229	10.1
150.74883	2.2
153.06920	2.3
155.08539	5.8
157.06479	2.3
157.10092	10.2
159.08047	7.4
159.11667	10.8
161.09563	5.2
161.13243	14.2
163.11223	2.8
163.14815	2.6
167.08569	4.5
169.10120	3.9
169.33521	2.2
171.07962	5.9
171.11650	20.4
173.04454	10.2
173.09604	3.6
173.13235	10.1
177.12643	3.7
179.14334	5.0
181.10139	5.7
183.11688	3.7
184.07332	10.5
185.09579	2.3
185.13249	6.7
187.11154	3.4
187.14838	5.1
189.12741	8.3
197.13394	2.6
199.14864	3.3
201.12770	3.2
207.11972	3.8
207.13766	17.1
209.13176	2.9
211.15125	2.8
211.49870	2.3
212.22150	2.3
213.16380	2.5
221.15334	4.1
223.14806	4.2
225.14769	5.6
241.15950	3.3
245.15614	2.4
251.14275	5.1
259.16922	8.9
259.20444	2.4
261.22104	8.0
269.15320	7.7
279.15952	4.7
281.17395	26.8
287.16327	19.5
305.17480	4.3
314.17218	2.4
335.25769	99.7
351.17661	3.8
361.19818	4.0
379.21075	2.9
425.21646	10.4
541.38879	65.4
555.40448	3.3
593.41919	4.7
621.41083	8.5
639.42383	3.3
685.42737	7.8
703.44690	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	705.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01849	1.9
55.05488	2.4
57.03426	1.2
61.02903	2.1
63.33479	0.5
66.35467	0.5
67.05497	3.1
68.99800	0.8
69.03414	5.4
69.07063	3.9
70.06572	1.3
71.04984	3.6
71.61597	1.1
79.05494	3.9
81.03399	1.7
81.07033	4.0
83.04974	1.5
85.02895	6.3
87.04439	0.7
87.49424	0.6
91.05468	3.7
93.07032	4.6
95.04935	1.8
95.08587	2.3
97.02890	1.2
97.06495	1.0
97.10123	0.9
99.04457	1.3
105.03377	10.1
105.07018	1.5
107.04952	1.2
107.08575	1.8
109.02857	1.1
109.10165	1.4
111.04411	2.4
115.05418	0.8
119.04898	2.0
119.08487	1.2
119.23074	0.7
121.02853	0.7
121.06399	0.7
121.10096	2.6
122.02701	0.6
123.04411	0.9
127.03889	1.3
131.08549	1.0
133.02831	1.3
133.10104	1.1
135.04475	1.0
137.05948	1.9
139.03862	1.2
139.11095	1.0
143.08545	0.7
144.52489	0.6
145.02870	1.5
145.10139	1.1
147.04401	1.3
149.02254	0.8
149.05965	0.8
149.09525	1.3
151.03886	1.3
153.01764	1.3
153.06927	0.8
157.10110	0.8
161.09663	1.3
163.03896	1.2
163.11224	0.9
165.01794	1.9
165.06990	0.9
165.09074	1.5
167.03320	1.9
167.07014	3.9
168.07527	0.8
169.06590	1.0
171.11691	0.7
175.03888	1.6
177.05484	0.8
179.03360	0.8
181.04907	0.6
181.06445	1.0
183.02863	2.5
189.01756	0.9
189.09074	0.7
195.02898	1.2
197.05940	1.6
207.02783	1.0
209.05815	1.3
211.07491	1.0
213.05515	1.3
221.06030	1.2
223.03897	0.8
225.05457	1.2
227.06998	1.1
231.02835	0.9
237.05356	4.3
238.06206	1.2
239.06929	1.1
241.04916	4.4
245.04449	1.8
249.05444	2.0
251.06972	1.7
253.05017	3.7
254.05745	4.8
255.06516	2.7
265.04944	8.6
267.06583	1.3
268.03616	1.8
269.04465	7.5
271.05917	1.1
275.20126	1.1
277.04941	1.8
279.06335	1.6
281.04514	4.6
281.07144	0.9
282.05191	2.7
283.05905	9.5
285.03894	1.2
291.06540	1.2
293.04413	15.9
294.04974	1.3
295.05957	4.7
296.03171	7.8
296.06400	1.0
297.03940	17.0
297.07397	1.5
303.04846	0.7
307.05969	2.2
309.03879	31.5
309.07135	1.6
310.04675	5.9
311.01797	1.1
311.05453	23.4
312.05838	1.3
313.06897	1.5
314.04214	1.2
319.05914	1.8
320.03171	1.4
321.03909	34.8
322.04391	2.8
323.05521	4.6
323.08853	1.2
325.03363	2.8
325.06921	1.0
327.04971	1.5
327.08536	1.0
329.06537	0.7
333.03696	1.8
333.07507	1.5
335.05475	7.0
336.06091	1.0
337.03293	2.3
337.07043	1.1
338.04156	3.4
339.04950	100.0
340.05487	3.4
341.06479	2.3
345.07629	1.2
347.05463	2.9
349.03278	1.7
349.07071	1.1
351.04822	1.6
351.08716	1.3
353.06552	13.3
355.04419	1.4
361.07211	3.3
363.04877	8.2
365.06302	1.5
367.04474	3.2
369.06055	1.3
371.07687	0.9
377.06384	1.8
379.07990	1.3
381.05963	1.1
389.06525	8.5
407.07394	5.0
421.09039	1.7
449.15909	1.6
477.15805	1.3
479.13214	2.5
481.15012	1.4
481.31064	1.5
487.13382	1.0
493.14819	1.1
505.14996	4.3
509.14255	6.3
521.14374	3.2
523.15900	8.8
524.16156	1.0
525.17542	1.4
527.15680	1.6
533.14337	10.8
537.17432	1.8
541.17004	14.1
543.31726	1.9
547.16058	1.9
551.15411	60.3
552.15790	2.2
553.16962	2.0
555.18726	4.2
559.18188	3.4
565.16931	19.1
569.16254	2.2
571.18073	5.4
573.17767	2.0
575.15448	5.6
577.17505	0.9
583.17993	46.4
584.18457	1.6
591.18567	1.5
593.16968	1.6
595.17731	0.9
601.17914	5.7
605.20184	1.1
607.18091	7.2
609.19604	0.9
619.17969	5.8
623.20782	0.8
625.18829	2.5
633.19214	4.2
637.18793	2.2
651.20691	11.1
669.21552	4.4
705.37695	3.3
705.48926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01849	1.9
55.05488	2.4
57.03426	1.2
61.02903	2.1
63.33479	0.5
66.35467	0.5
67.05497	3.1
68.99800	0.8
69.03414	5.4
69.07063	3.9
70.06572	1.3
71.04984	3.6
71.61597	1.1
79.05494	3.9
81.03399	1.7
81.07033	4.0
83.04974	1.5
85.02895	6.3
87.04439	0.7
87.49424	0.6
91.05468	3.7
93.07032	4.6
95.04935	1.8
95.08587	2.3
97.02890	1.2
97.06495	1.0
97.10123	0.9
99.04457	1.3
105.03377	10.1
105.07018	1.5
107.04952	1.2
107.08575	1.8
109.02857	1.1
109.10165	1.4
111.04411	2.4
115.05418	0.8
119.04898	2.0
119.08487	1.2
119.23074	0.7
121.02853	0.7
121.06399	0.7
121.10096	2.6
122.02701	0.6
123.04411	0.9
127.03889	1.3
131.08549	1.0
133.02831	1.3
133.10104	1.1
135.04475	1.0
137.05948	1.9
139.03862	1.2
139.11095	1.0
143.08545	0.7
144.52489	0.6
145.02870	1.5
145.10139	1.1
147.04401	1.3
149.02254	0.8
149.05965	0.8
149.09525	1.3
151.03886	1.3
153.01764	1.3
153.06927	0.8
157.10110	0.8
161.09663	1.3
163.03896	1.2
163.11224	0.9
165.01794	1.9
165.06990	0.9
165.09074	1.5
167.03320	1.9
167.07014	3.9
168.07527	0.8
169.06590	1.0
171.11691	0.7
175.03888	1.6
177.05484	0.8
179.03360	0.8
181.04907	0.6
181.06445	1.0
183.02863	2.5
189.01756	0.9
189.09074	0.7
195.02898	1.2
197.05940	1.6
207.02783	1.0
209.05815	1.3
211.07491	1.0
213.05515	1.3
221.06030	1.2
223.03897	0.8
225.05457	1.2
227.06998	1.1
231.02835	0.9
237.05356	4.3
238.06206	1.2
239.06929	1.1
241.04916	4.4
245.04449	1.8
249.05444	2.0
251.06972	1.7
253.05017	3.7
254.05745	4.8
255.06516	2.7
265.04944	8.6
267.06583	1.3
268.03616	1.8
269.04465	7.5
271.05917	1.1
275.20126	1.1
277.04941	1.8
279.06335	1.6
281.04514	4.6
281.07144	0.9
282.05191	2.7
283.05905	9.5
285.03894	1.2
291.06540	1.2
293.04413	15.9
294.04974	1.3
295.05957	4.7
296.03171	7.8
296.06400	1.0
297.03940	17.0
297.07397	1.5
303.04846	0.7
307.05969	2.2
309.03879	31.5
309.07135	1.6
310.04675	5.9
311.01797	1.1
311.05453	23.4
312.05838	1.3
313.06897	1.5
314.04214	1.2
319.05914	1.8
320.03171	1.4
321.03909	34.8
322.04391	2.8
323.05521	4.6
323.08853	1.2
325.03363	2.8
325.06921	1.0
327.04971	1.5
327.08536	1.0
329.06537	0.7
333.03696	1.8
333.07507	1.5
335.05475	7.0
336.06091	1.0
337.03293	2.3
337.07043	1.1
338.04156	3.4
339.04950	100.0
340.05487	3.4
341.06479	2.3
345.07629	1.2
347.05463	2.9
349.03278	1.7
349.07071	1.1
351.04822	1.6
351.08716	1.3
353.06552	13.3
355.04419	1.4
361.07211	3.3
363.04877	8.2
365.06302	1.5
367.04474	3.2
369.06055	1.3
371.07687	0.9
377.06384	1.8
379.07990	1.3
381.05963	1.1
389.06525	8.5
407.07394	5.0
421.09039	1.7
449.15909	1.6
477.15805	1.3
479.13214	2.5
481.15012	1.4
481.31064	1.5
487.13382	1.0
493.14819	1.1
505.14996	4.3
509.14255	6.3
521.14374	3.2
523.15900	8.8
524.16156	1.0
525.17542	1.4
527.15680	1.6
533.14337	10.8
537.17432	1.8
541.17004	14.1
543.31726	1.9
547.16058	1.9
551.15411	60.3
552.15790	2.2
553.16962	2.0
555.18726	4.2
559.18188	3.4
565.16931	19.1
569.16254	2.2
571.18073	5.4
573.17767	2.0
575.15448	5.6
577.17505	0.9
583.17993	46.4
584.18457	1.6
591.18567	1.5
593.16968	1.6
595.17731	0.9
601.17914	5.7
605.20184	1.1
607.18091	7.2
609.19604	0.9
619.17969	5.8
623.20782	0.8
625.18829	2.5
633.19214	4.2
637.18793	2.2
651.20691	11.1
669.21552	4.4
705.37695	3.3
705.48926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.0
53.03933	8.3
53.58850	1.4
55.01873	14.1
55.05256	1.9
55.05508	28.5
57.03433	12.4
57.07080	2.7
58.32165	1.3
61.02921	5.3
65.03931	5.9
67.05500	77.9
69.03426	25.9
69.07059	29.9
69.48731	10.4
71.01341	2.3
71.04987	12.1
73.02918	3.3
76.63023	1.3
79.05096	1.3
79.05484	56.4
81.03413	53.7
81.07052	100.0
83.04975	18.0
83.08618	19.3
85.02901	13.8
85.06535	3.5
91.03938	1.7
91.05479	56.1
93.07037	61.7
95.01291	1.5
95.04968	19.8
95.08599	46.2
97.02882	21.9
97.06522	15.3
97.10174	9.5
99.04455	8.1
99.08083	2.9
101.02395	2.2
103.03936	2.0
103.05468	3.5
105.07024	50.0
107.04936	11.5
107.07856	2.1
107.08590	40.1
109.02878	15.5
109.06519	12.1
109.10151	19.4
111.04442	5.7
111.08091	7.0
115.05460	2.4
116.06171	1.4
117.07010	21.3
119.08578	42.5
121.06506	7.0
121.10135	26.2
123.04419	3.4
123.08057	8.5
123.11700	8.5
125.09639	4.9
127.03912	12.3
128.06219	3.7
129.05496	5.0
129.07004	11.4
129.90514	1.4
131.08553	33.4
133.06502	4.0
133.10126	30.1
135.04324	1.8
135.08055	8.9
135.11684	12.7
137.09641	5.6
141.06975	4.8
142.07834	2.5
143.08540	10.8
145.06471	3.5
145.10126	23.3
147.08037	4.8
147.11665	21.7
149.09604	9.3
149.13251	16.6
151.11179	3.8
155.08537	7.3
156.09352	2.0
157.10112	13.4
159.08073	7.1
159.11662	19.9
161.09619	3.4
161.13263	5.8
163.11208	5.9
165.07011	2.0
165.12791	3.0
167.08565	1.7
168.09377	1.6
169.10089	8.7
171.08090	2.6
171.11650	7.4
173.04454	16.3
173.09567	3.5
173.13237	8.3
175.11188	4.3
175.14822	2.2
177.12743	5.4
179.08546	2.2
179.14275	2.0
181.10153	5.5
181.12177	1.6
183.11626	7.7
184.07268	1.5
185.09618	2.8
185.13277	5.4
187.11192	3.8
187.14841	3.4
189.11298	2.0
189.12767	1.6
191.14365	1.3
193.12280	1.8
195.11755	3.9
195.13818	9.0
197.13292	6.0
199.06006	2.6
199.11238	2.2
199.14784	2.9
201.12732	2.9
201.16443	1.8
207.11771	2.4
207.13693	2.0
209.13318	3.0
211.14888	1.9
213.14729	2.4
215.14348	1.5
215.17915	1.7
225.16397	2.2
227.12802	1.9
229.19461	2.4
233.15337	2.0
239.17982	2.2
245.18961	1.7
247.20615	3.9
253.75005	1.4
257.18994	10.5
259.20810	2.3
267.15817	7.7
269.17444	23.8
273.18436	2.3
275.16956	1.9
275.20032	44.1
285.10107	4.2
293.18042	1.5
293.21234	5.4
297.16678	1.8
303.15991	1.8
309.22025	1.5
311.25745	1.7
339.18048	3.5
349.23730	19.0
377.19669	2.6
383.22202	2.5
395.20416	2.6
401.23230	1.4
413.21582	6.7
420.40378	1.4
431.27899	1.8
433.30804	4.2
445.29410	1.4
451.32074	6.1
463.30505	5.3
469.33148	4.5
493.27667	3.0
513.35614	1.5
515.37109	6.2
525.35809	20.4
533.38617	1.6
543.36865	59.3
545.38422	1.4
561.37469	4.7
585.37756	1.9
607.34741	5.9
607.43610	1.9
651.39001	2.0
669.39911	2.9
687.40924	18.1
705.30115	1.8
705.41895	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.6
53.03933	9.8
55.01862	14.2
55.05502	31.7
57.03436	16.5
57.07059	2.6
61.02923	5.1
65.03937	3.4
67.05496	84.0
69.03416	25.4
69.06704	3.0
69.07056	32.4
71.01363	1.7
71.04981	8.8
71.61678	2.6
73.02895	3.6
77.03896	2.1
79.05482	60.8
81.03410	58.8
81.03905	2.3
81.07047	100.0
83.04970	20.4
83.08603	19.5
85.02898	16.2
85.06547	4.6
91.03938	3.9
91.04885	2.0
91.05468	58.8
93.07030	64.7
95.04967	22.5
95.08592	46.3
97.02879	18.6
97.06522	21.1
97.10168	6.5
99.04447	6.3
99.08117	3.4
103.05469	2.4
104.52860	1.7
105.07019	54.3
107.04961	15.9
107.08575	38.2
109.02870	12.5
109.06505	14.4
109.10136	18.9
111.04418	8.1
111.08086	7.5
115.05441	3.2
117.06987	24.9
119.04937	1.5
119.08567	39.1
121.06467	9.8
121.10141	24.8
123.04403	3.3
123.08065	7.3
123.11683	9.3
125.09619	5.0
127.03897	14.2
128.06181	2.1
129.05502	3.9
129.06990	12.7
131.04935	2.5
131.08556	32.8
133.06480	3.8
133.10112	33.9
135.08020	9.4
135.11653	12.4
137.09605	4.6
139.11096	2.2
141.07005	7.0
142.07780	2.5
143.08530	13.5
144.09254	1.7
145.06487	6.6
145.10097	25.5
147.08052	4.9
147.11667	26.9
149.05949	2.3
149.09625	10.3
149.13246	16.0
151.11189	4.1
153.09071	1.8
155.08562	7.6
156.09251	1.9
157.06468	1.9
157.10100	14.6
159.07951	3.6
159.11670	22.6
161.09618	5.3
161.13251	7.3
163.11096	8.2
165.12709	6.5
167.08519	2.4
169.10112	9.6
171.08057	1.5
171.11633	11.8
173.04424	19.7
173.05806	1.9
173.09596	5.0
173.13300	8.8
175.11169	4.6
175.14903	1.8
177.12729	7.8
179.14314	2.1
181.10109	4.7
183.11678	9.0
185.09608	2.7
185.13246	5.4
187.11116	3.7
189.09053	1.8
189.11182	2.2
189.12746	1.8
189.16562	1.8
193.12286	2.3
195.11720	4.3
195.13808	7.4
197.09459	2.7
197.13271	6.9
199.06041	3.8
199.11107	2.9
199.14894	3.8
201.12791	2.4
207.13910	2.1
209.13197	5.0
211.14861	3.4
213.14743	2.1
217.12236	1.8
219.11771	2.4
219.13835	1.9
219.17542	2.1
225.16518	1.9
227.12677	2.9
229.14212	2.0
229.19586	2.7
239.17960	3.6
247.20566	4.4
257.19028	7.9
259.20764	1.9
262.14130	1.7
267.15936	7.1
268.97247	1.7
269.17419	19.6
275.20023	45.5
279.16107	1.8
287.19995	1.6
293.21219	4.2
299.20096	2.0
300.13739	2.3
301.21509	2.2
314.21487	1.6
331.22589	2.9
339.18124	4.0
349.23703	22.8
395.20886	4.9
413.21436	8.2
419.24158	3.2
433.30978	4.4
445.29260	1.9
451.31958	4.6
463.30444	4.6
469.33115	5.3
493.27518	2.2
507.34265	1.9
515.37231	7.7
525.35736	27.4
543.36743	71.1
544.36871	1.8
561.37891	3.8
607.34515	5.0
651.39099	2.7
669.39954	5.0
687.40845	25.3
697.51764	1.9
705.41913	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	705.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01869	4.0
55.05256	1.0
55.05504	12.6
57.03433	5.4
57.07055	1.7
59.04987	1.0
59.60329	0.8
61.02919	9.5
65.03921	0.8
67.05498	24.2
69.03426	8.5
69.07057	7.6
71.04977	2.7
71.06456	2.2
73.02901	6.2
77.84792	0.6
79.05482	15.3
81.03413	17.8
81.07049	21.5
83.04983	5.5
83.08607	9.1
85.02895	11.7
85.06514	1.3
86.09692	1.0
91.03938	4.3
91.05473	16.4
91.06003	1.4
93.07029	15.6
95.04961	7.6
95.08593	11.9
97.02889	8.5
97.06522	3.6
97.10162	8.5
99.04446	2.1
99.08076	0.9
101.02388	1.3
105.07017	15.7
105.07668	1.2
107.04947	3.0
107.08573	10.6
109.02864	2.6
109.06514	2.4
109.10157	8.2
111.04436	2.7
111.08063	3.5
117.07004	9.4
119.08566	11.7
121.06489	2.2
121.10111	6.7
123.08038	2.1
123.11700	2.3
125.09604	5.8
127.03905	3.0
128.06203	1.3
129.05505	1.1
129.06987	7.9
130.07777	1.1
131.08556	13.0
133.06487	2.1
133.10103	10.5
135.08070	2.8
135.11665	4.2
137.09631	1.4
141.06989	2.4
142.07788	1.3
143.08537	6.4
145.06485	1.9
145.10097	11.0
147.08057	2.6
147.11658	7.1
149.09615	2.6
149.13274	2.0
151.11230	1.1
152.71294	0.7
153.06978	0.6
153.09082	1.1
153.12758	1.3
155.08553	5.0
157.10080	9.0
159.08070	2.1
159.11679	8.0
161.09613	1.3
161.13239	3.3
163.11227	2.7
167.08598	2.5
169.10068	5.2
171.08037	1.9
171.11652	6.7
173.04482	1.9
173.09608	1.9
173.11952	0.9
173.13223	4.2
175.11143	2.4
175.14777	1.5
177.12766	0.9
181.10114	3.5
181.12228	0.9
183.11667	4.9
184.07275	3.6
185.09593	1.4
185.13197	5.0
187.11206	1.9
187.13164	0.7
187.14804	2.6
189.11249	1.8
189.12755	0.9
193.10457	1.4
193.12245	4.2
195.11656	3.2
197.09717	1.4
197.13210	3.5
199.11160	1.3
199.14810	3.1
201.12761	1.1
201.16458	1.0
203.14218	1.0
205.10213	0.8
207.11768	0.7
209.09599	0.8
209.13300	3.1
211.11417	1.1
211.13284	4.2
211.14938	1.6
213.12758	1.5
215.14333	1.0
217.15923	0.8
221.13293	1.0
223.14832	2.9
225.12732	1.5
225.16469	0.9
227.12645	4.5
229.14284	1.7
231.71072	0.7
233.15536	0.8
235.14931	1.2
237.12743	0.9
237.16600	0.7
239.14482	0.8
241.15981	0.9
241.19592	2.1
243.15834	1.0
250.55698	0.7
256.47440	0.7
257.19052	1.0
259.20599	3.1
267.15952	2.7
271.20569	0.9
273.22159	0.7
275.20117	2.8
279.21140	0.8
283.15329	0.9
283.20505	1.7
285.16696	1.6
297.22128	2.0
299.23676	4.1
301.21613	1.0
315.22977	1.0
321.21948	0.9
325.21622	0.8
327.23358	0.9
329.21143	1.0
333.24335	2.2
339.23306	2.4
343.22641	1.0
357.24249	0.9
371.25922	0.9
385.23590	0.7
396.57742	0.8
415.29819	1.8
417.26697	0.9
421.25818	2.2
423.32220	1.0
429.21313	1.7
433.31000	4.8
435.27530	2.8
451.32007	6.8
469.33151	3.7
507.34985	1.5
515.37189	1.6
525.35754	18.5
526.35992	0.9
541.34454	2.0
543.36755	100.0
544.37128	4.2
555.37341	0.9
567.37042	1.7
585.37634	2.2
609.37518	1.1
633.37628	1.5
639.38922	0.8
651.38727	4.3
669.39844	2.8
687.40991	9.1
705.32135	24.6
705.42169	14.9
706.32104	3.6
706.43250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01871	4.2
55.05504	11.7
57.03434	5.6
57.07078	1.0
59.04986	0.7
60.08155	0.7
61.02920	9.3
65.03927	1.0
67.05499	25.1
69.03426	8.1
69.07059	7.7
71.01331	0.7
71.04346	1.0
71.04984	3.4
73.02896	4.4
79.05488	19.9
81.03413	21.7
81.07050	24.6
81.15545	0.6
83.04974	5.6
83.08613	9.0
85.02895	12.2
85.06528	1.2
86.09710	5.1
87.04443	0.8
91.03945	4.5
91.05470	17.3
92.59471	0.6
93.07035	20.6
95.04967	8.5
95.08600	14.3
97.02888	10.7
97.06516	3.2
97.10165	7.1
99.04439	1.4
101.02382	1.8
104.10742	1.5
105.07024	18.0
107.04963	3.5
107.08572	12.7
108.25112	0.7
108.62144	0.6
109.02882	3.5
109.03494	0.6
109.06496	3.2
109.10143	8.4
111.04430	2.4
111.08084	2.8
115.03883	0.9
115.05450	1.7
116.06266	1.0
117.07011	9.9
119.08572	14.2
121.06509	2.8
121.10143	7.0
123.08062	1.6
123.11696	2.5
125.00004	3.1
125.09604	5.5
127.03886	3.5
128.06235	2.9
129.05463	0.9
129.06982	9.1
130.07745	1.3
131.08569	14.0
133.06471	2.0
133.10114	12.3
135.08054	2.6
135.11658	3.6
137.09634	1.4
141.06987	2.8
142.07799	1.5
143.08542	8.6
144.09282	0.7
145.06522	1.8
145.10121	10.6
147.08054	1.7
147.11679	9.3
149.02382	1.1
149.09608	2.5
149.13260	3.1
151.07571	0.7
153.07054	1.2
153.12775	1.1
155.08536	4.7
157.06534	1.3
157.10101	10.2
159.08063	2.6
159.11671	9.4
161.09619	1.2
161.13242	3.5
163.11176	3.0
167.08577	1.6
169.10172	5.6
171.08043	1.9
171.11676	7.2
173.04456	1.4
173.09671	2.0
173.13220	5.6
175.11270	3.5
175.14810	1.9
179.08501	1.3
181.10109	3.3
181.12170	1.6
183.08038	0.9
183.11691	5.5
184.07333	13.8
185.07874	0.8
185.09587	1.7
185.13252	6.0
187.11166	1.0
187.14827	2.8
189.11244	2.5
189.12712	0.8
191.10645	1.2
192.09441	0.8
193.10469	1.2
193.12282	5.5
195.11760	3.4
197.09662	1.0
197.13223	4.1
199.11200	2.1
199.14861	3.1
201.12758	1.6
201.16307	1.6
203.14360	0.9
207.11865	1.2
207.13721	0.7
209.13301	3.5
209.15144	0.8
211.11398	1.3
211.13289	5.4
211.14970	1.0
213.12769	1.2
213.16499	1.2
215.14310	1.1
221.13344	1.4
223.11273	0.9
223.14790	2.2
227.12572	3.2
227.14703	1.1
229.14207	1.5
235.14975	0.8
237.16513	1.0
241.19514	2.0
243.15894	1.4
249.16415	1.0
255.09067	1.0
257.18997	2.1
259.20584	6.6
263.17816	0.8
267.15924	3.0
269.17584	0.8
271.20609	1.1
275.20132	2.7
283.15372	1.4
283.20584	2.2
285.16995	2.7
297.22119	1.6
299.20612	0.9
299.23615	3.4
301.21558	2.1
315.23203	2.0
325.21823	1.2
327.23376	1.2
333.24292	4.8
335.25626	1.1
339.23276	1.1
343.22598	1.1
345.24100	1.2
353.24652	0.8
357.23984	1.7
367.22742	2.1
369.24286	1.0
385.23416	1.0
403.24905	0.9
415.29553	0.8
421.25873	1.9
423.32538	1.1
429.21210	1.8
433.30865	4.2
435.27524	2.1
436.16187	0.8
441.26401	1.0
451.32138	7.7
469.33069	3.7
473.29291	0.8
507.34787	1.7
515.37494	0.8
525.35718	21.8
541.35059	1.9
543.36774	100.0
544.37006	2.5
555.36737	1.0
561.38116	1.4
567.36670	1.3
579.37006	0.8
583.37390	0.8
585.37518	2.2
597.37921	1.1
603.69312	0.9
609.37915	1.8
633.37689	1.7
639.38776	0.9
651.38824	5.3
669.39673	4.6
687.40930	8.0
705.42059	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	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01863	4.7
55.05502	13.2
57.03195	0.6
57.03431	5.5
57.07058	1.3
61.02922	8.7
65.03925	1.5
67.05495	25.4
69.03422	8.2
69.07057	8.3
69.60502	2.9
69.60929	1.9
71.01356	1.1
71.04993	3.4
73.02905	4.9
79.05047	1.3
79.05482	19.4
81.03406	24.6
81.07045	25.0
83.01367	0.6
83.04972	7.4
83.08608	11.2
85.02888	10.8
85.06529	1.9
87.04422	1.1
91.03953	4.1
91.05466	20.7
93.07030	20.5
93.07619	1.1
95.04960	10.0
95.08593	14.8
97.02872	10.5
97.06510	3.5
97.10145	7.6
99.04443	2.1
99.08053	1.0
101.02361	1.4
102.04603	0.6
103.05457	1.0
105.07010	19.7
107.04960	4.2
107.08579	11.4
109.02859	2.8
109.06493	3.2
109.10134	9.5
111.04424	3.3
111.08058	4.3
115.05459	1.4
115.67606	0.6
117.07005	9.4
117.36984	0.5
119.08559	16.3
121.06522	3.7
121.10138	9.1
123.04395	0.8
123.08037	2.5
123.11674	2.5
125.09600	5.0
127.03883	3.6
128.06201	1.7
129.05470	1.5
129.06987	9.4
131.04938	0.8
131.08546	15.6
133.06490	2.1
133.10097	10.7
135.08054	3.2
135.11702	4.3
137.09596	2.1
141.06982	2.4
142.07758	1.7
143.08537	8.5
145.06456	3.3
145.10100	12.1
147.08044	2.3
147.11665	8.3
149.09618	2.8
149.13289	2.1
151.07510	0.7
151.11148	0.9
153.07076	1.0
153.09094	1.1
153.12709	1.0
155.08556	5.0
156.09332	0.7
157.06487	0.6
157.10100	9.8
159.07997	3.1
159.11681	9.0
161.09630	1.5
161.13252	4.5
163.11192	3.1
163.14845	0.8
165.12711	0.9
167.08508	2.9
168.09242	0.6
169.10085	5.8
170.10887	0.8
171.08031	2.1
171.11662	6.2
173.04460	2.1
173.09613	2.6
173.11986	0.7
173.13242	4.8
175.11145	3.3
175.14809	0.9
177.12753	1.5
179.08521	1.0
181.10106	3.0
181.12238	1.5
183.07947	1.1
183.11662	4.4
184.07353	1.6
185.09634	2.3
185.13239	5.3
187.11211	2.0
187.14845	1.8
189.09419	0.9
189.11214	3.1
189.12721	0.9
191.10643	1.0
193.10164	1.8
193.12262	6.7
193.13565	0.7
193.73050	0.6
195.11699	2.6
197.13266	3.4
199.11137	1.1
199.14851	3.6
201.12750	1.5
201.16455	1.2
203.14220	1.0
207.11716	1.1
209.13271	2.2
211.11313	1.3
211.13289	6.0
211.14751	0.9
213.12755	1.3
213.16435	1.4
215.18176	0.8
219.11711	0.6
219.13864	0.9
221.13199	1.6
223.14764	1.9
225.12457	0.8
225.16342	1.2
227.12653	4.4
229.14313	1.7
231.17416	0.8
233.13225	0.7
233.15453	1.2
235.14827	1.1
237.16438	1.2
239.14178	0.7
241.15788	1.1
241.19540	2.5
247.16933	0.8
251.14204	0.7
257.18884	1.5
259.20551	4.9
267.15826	4.2
275.20096	3.1
283.15527	1.4
283.20496	1.6
285.10110	1.0
285.16983	2.6
297.18552	0.7
297.22095	1.9
299.20343	1.1
299.23734	4.7
301.21640	1.3
307.20514	0.9
309.22125	0.8
311.20093	1.1
313.21530	1.0
315.23328	0.9
325.21552	1.2
327.23178	0.9
329.21011	1.3
333.24222	3.8
339.23138	1.0
343.22711	1.4
345.24426	0.8
349.21716	0.7
353.24951	1.0
357.24335	1.3
361.24396	0.9
367.22568	1.4
371.25986	0.7
385.23334	1.2
403.24832	1.0
415.29730	1.5
417.26474	0.8
421.25623	3.4
423.32596	1.2
429.21246	2.6
433.31009	4.1
435.27338	2.4
447.28763	0.6
451.32095	6.6
454.26923	1.5
459.27341	2.4
469.32999	3.2
477.28363	1.6
487.34219	1.0
490.32379	0.8
507.34573	1.4
515.37183	1.4
525.35718	17.6
541.34570	1.8
543.36725	100.0
544.37085	3.3
555.36676	1.3
561.37604	1.3
567.36621	1.7
585.37726	1.8
609.37384	1.7
613.36920	1.0
633.38153	1.5
639.38373	0.8
651.38318	5.0
669.39661	5.4
687.40729	8.4
705.31293	1.2
705.42023	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	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01863	4.7
55.05502	13.2
57.03195	0.6
57.03431	5.5
57.07058	1.3
61.02922	8.7
65.03925	1.5
67.05495	25.4
69.03422	8.2
69.07057	8.3
69.60502	2.9
69.60929	1.9
71.01356	1.1
71.04993	3.4
73.02905	4.9
79.05047	1.3
79.05482	19.4
81.03406	24.6
81.07045	25.0
83.01367	0.6
83.04972	7.4
83.08608	11.2
85.02888	10.8
85.06529	1.9
87.04422	1.1
91.03953	4.1
91.05466	20.7
93.07030	20.5
93.07619	1.1
95.04960	10.0
95.08593	14.8
97.02872	10.5
97.06510	3.5
97.10145	7.6
99.04443	2.1
99.08053	1.0
101.02361	1.4
102.04603	0.6
103.05457	1.0
105.07010	19.7
107.04960	4.2
107.08579	11.4
109.02859	2.8
109.06493	3.2
109.10134	9.5
111.04424	3.3
111.08058	4.3
115.05459	1.4
115.67606	0.6
117.07005	9.4
117.36984	0.5
119.08559	16.3
121.06522	3.7
121.10138	9.1
123.04395	0.8
123.08037	2.5
123.11674	2.5
125.09600	5.0
127.03883	3.6
128.06201	1.7
129.05470	1.5
129.06987	9.4
131.04938	0.8
131.08546	15.6
133.06490	2.1
133.10097	10.7
135.08054	3.2
135.11702	4.3
137.09596	2.1
141.06982	2.4
142.07758	1.7
143.08537	8.5
145.06456	3.3
145.10100	12.1
147.08044	2.3
147.11665	8.3
149.09618	2.8
149.13289	2.1
151.07510	0.7
151.11148	0.9
153.07076	1.0
153.09094	1.1
153.12709	1.0
155.08556	5.0
156.09332	0.7
157.06487	0.6
157.10100	9.8
159.07997	3.1
159.11681	9.0
161.09630	1.5
161.13252	4.5
163.11192	3.1
163.14845	0.8
165.12711	0.9
167.08508	2.9
168.09242	0.6
169.10085	5.8
170.10887	0.8
171.08031	2.1
171.11662	6.2
173.04460	2.1
173.09613	2.6
173.11986	0.7
173.13242	4.8
175.11145	3.3
175.14809	0.9
177.12753	1.5
179.08521	1.0
181.10106	3.0
181.12238	1.5
183.07947	1.1
183.11662	4.4
184.07353	1.6
185.09634	2.3
185.13239	5.3
187.11211	2.0
187.14845	1.8
189.09419	0.9
189.11214	3.1
189.12721	0.9
191.10643	1.0
193.10164	1.8
193.12262	6.7
193.13565	0.7
193.73050	0.6
195.11699	2.6
197.13266	3.4
199.11137	1.1
199.14851	3.6
201.12750	1.5
201.16455	1.2
203.14220	1.0
207.11716	1.1
209.13271	2.2
211.11313	1.3
211.13289	6.0
211.14751	0.9
213.12755	1.3
213.16435	1.4
215.18176	0.8
219.11711	0.6
219.13864	0.9
221.13199	1.6
223.14764	1.9
225.12457	0.8
225.16342	1.2
227.12653	4.4
229.14313	1.7
231.17416	0.8
233.13225	0.7
233.15453	1.2
235.14827	1.1
237.16438	1.2
239.14178	0.7
241.15788	1.1
241.19540	2.5
247.16933	0.8
251.14204	0.7
257.18884	1.5
259.20551	4.9
267.15826	4.2
275.20096	3.1
283.15527	1.4
283.20496	1.6
285.10110	1.0
285.16983	2.6
297.18552	0.7
297.22095	1.9
299.20343	1.1
299.23734	4.7
301.21640	1.3
307.20514	0.9
309.22125	0.8
311.20093	1.1
313.21530	1.0
315.23328	0.9
325.21552	1.2
327.23178	0.9
329.21011	1.3
333.24222	3.8
339.23138	1.0
343.22711	1.4
345.24426	0.8
349.21716	0.7
353.24951	1.0
357.24335	1.3
361.24396	0.9
367.22568	1.4
371.25986	0.7
385.23334	1.2
403.24832	1.0
415.29730	1.5
417.26474	0.8
421.25623	3.4
423.32596	1.2
429.21246	2.6
433.31009	4.1
435.27338	2.4
447.28763	0.6
451.32095	6.6
454.26923	1.5
459.27341	2.4
469.32999	3.2
477.28363	1.6
487.34219	1.0
490.32379	0.8
507.34573	1.4
515.37183	1.4
525.35718	17.6
541.34570	1.8
543.36725	100.0
544.37085	3.3
555.36676	1.3
561.37604	1.3
567.36621	1.7
585.37726	1.8
609.37384	1.7
613.36920	1.0
633.38153	1.5
639.38373	0.8
651.38318	5.0
669.39661	5.4
687.40729	8.4
705.31293	1.2
705.42023	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	706.4
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71465	0.8
53.03933	3.4
55.01859	3.1
55.05506	10.9
57.03432	12.1
59.04992	1.2
61.02908	1.4
63.41131	0.8
66.36179	0.9
67.05497	19.3
69.03423	4.6
69.07057	5.0
70.15424	2.0
70.15837	2.6
71.04977	4.3
79.05059	1.1
79.05486	17.8
81.03407	82.7
81.06568	1.5
81.07046	19.9
82.07391	0.9
83.04966	9.7
83.08608	21.2
85.02890	13.7
85.06524	1.9
86.09669	1.1
91.05468	25.8
93.07027	14.2
95.04960	26.9
95.08601	7.8
97.02872	3.3
97.06516	2.9
97.10137	4.5
98.20978	1.7
99.04437	0.9
105.07014	19.1
107.04932	8.7
107.08579	6.8
109.06514	5.6
109.10143	5.2
111.04417	3.3
111.08077	9.7
113.05972	1.9
117.07008	3.2
119.04929	1.0
119.08562	17.0
121.06493	3.8
121.07275	0.9
121.10150	8.2
123.04410	1.1
123.08068	2.9
123.11673	1.0
125.05975	1.0
125.09633	3.1
129.06993	11.2
131.04889	0.9
131.08554	11.3
133.06462	3.9
133.10118	10.7
135.08061	1.8
135.11627	1.6
137.09601	1.9
142.07823	1.7
143.08553	1.9
145.06451	3.6
145.10104	3.4
147.04338	1.1
147.07977	4.0
147.11661	11.6
148.12004	1.5
149.09598	5.2
153.09129	1.0
157.06396	1.3
157.10114	12.3
161.05865	1.1
161.09581	0.8
163.11194	1.9
165.12737	3.2
167.07089	1.1
173.09641	0.9
175.11157	12.2
189.11198	1.2
189.12808	1.0
193.12222	34.1
195.08081	1.0
195.11568	1.3
205.12247	1.3
211.11299	1.4
211.13239	17.5
213.12709	1.1
227.12614	1.5
229.14288	1.6
233.15329	1.6
249.14880	2.3
255.13741	1.9
267.15881	100.0
268.16260	2.0
273.14865	2.8
283.15378	1.3
285.10046	1.8
285.16910	16.3
341.20956	1.4
349.21542	3.9
357.24088	0.9
367.22711	8.3
368.48392	1.0
385.23703	11.2
403.24731	2.3
433.25778	13.6
441.26486	5.2
447.30862	1.4
457.69879	0.9
459.27368	71.8
460.27655	2.8
465.32065	3.7
477.28427	45.8
478.28735	1.8
509.27176	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58125	0.1
55.05482	0.1
56.05027	0.7
57.07058	0.3
58.06617	0.4
59.07373	0.2
60.08155	6.1
67.05510	0.4
67.05814	0.1
69.07018	0.1
70.06570	0.2
71.04985	0.1
71.07366	3.1
71.08595	0.1
79.05470	0.3
80.97431	0.1
81.03403	0.2
81.07058	0.4
83.04961	0.1
83.08598	0.1
84.04534	0.1
86.09693	30.7
87.04442	0.4
87.10045	0.1
88.47550	0.1
91.05455	0.3
93.07020	0.2
95.04967	0.1
95.08605	0.3
98.21516	0.2
98.98450	2.9
98.99104	0.2
104.10033	0.2
104.10728	2.7
105.07018	0.2
107.04910	0.1
107.08628	0.1
108.47726	0.1
116.99493	0.1
119.08582	0.1
121.10154	0.1
124.99986	20.0
126.00349	0.1
131.08549	0.1
135.11560	0.1
143.01024	0.4
147.11641	0.1
166.02641	0.4
182.37997	0.1
184.07315	100.0
185.07689	0.7
238.32097	0.1
359.78915	0.1
478.33224	0.1
496.33969	0.1
609.47424	0.1
688.45892	0.1
706.46539	9.2
707.46521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25200	0.2
55.00395	0.2
55.83853	0.1
57.03416	0.2
70.92088	0.2
73.69801	0.2
77.00890	0.3
81.03400	0.2
82.99356	0.3
82.99870	1.0
85.02890	0.3
89.09981	0.2
94.99833	0.4
97.02866	0.5
101.00854	2.4
109.02850	0.5
112.72119	0.2
113.00848	0.6
114.07925	0.2
117.02180	0.2
119.01903	10.8
120.01908	0.2
120.06548	0.2
122.01325	0.6
127.02408	0.7
127.03851	0.3
129.00308	0.2
131.01886	5.8
131.51961	0.6
132.50130	0.2
133.03419	0.2
134.29449	0.2
137.01854	2.0
137.02936	1.9
137.51895	0.5
139.02385	0.3
140.02419	0.3
142.03467	0.3
142.52682	0.3
143.01871	13.2
143.51947	0.6
145.03450	5.9
146.02406	0.4
147.01358	0.9
147.04994	0.2
149.01805	0.9
149.02971	0.4
149.51949	0.2
152.02379	1.8
152.52525	0.4
155.00583	0.4
155.01859	6.0
155.03085	0.3
157.03445	3.4
158.02426	1.3
158.52469	0.3
161.02934	19.3
162.03087	0.3
163.04509	1.3
164.02376	0.4
167.01846	3.9
168.05072	0.2
169.03427	1.8
171.05023	2.1
173.02936	18.6
173.53017	0.9
174.03027	0.3
175.04550	1.2
177.02374	0.2
179.01649	1.2
181.03384	0.3
182.03421	0.9
182.53407	0.2
184.04538	0.8
185.02930	32.5
186.03117	0.8
187.04485	3.7
188.03416	0.5
189.06029	0.4
191.02118	0.3
191.03995	1.0
193.54399	0.2
194.03499	0.5
196.04460	0.3
197.02925	12.3
197.82484	0.2
198.03267	0.2
199.04523	0.7
203.03986	13.4
203.54111	0.9
204.04161	0.3
205.05569	0.3
208.04578	0.6
209.02887	0.9
212.04501	0.6
212.54814	0.2
215.03970	8.8
215.22292	0.2
220.04602	0.3
221.03160	0.3
221.04936	1.2
224.04549	0.6
227.03978	7.6
229.25612	0.2
233.05061	0.7
238.05791	0.2
239.03876	0.8
245.05031	100.0
246.05193	2.2
251.03935	0.2
254.05579	0.9
254.55618	0.2
257.05026	5.6
263.06097	14.6
264.06314	0.4
269.05063	0.3
275.03012	0.4
275.06073	12.9
284.06619	4.0
284.56729	0.9
286.07828	0.9
293.07135	3.9
305.07129	13.0
316.08676	0.2
317.07257	0.7
323.08118	0.3
329.07291	0.2
335.08215	3.8
347.08005	1.0
364.59103	0.3
365.09238	43.8
365.59384	1.2
366.09348	0.4
383.10324	4.4
401.11340	0.2
406.11990	0.5
407.10266	0.8
425.11346	49.4
426.11597	0.6
437.11316	3.5
455.12335	3.6
467.12479	0.3
485.13513	1.4
501.33395	0.2
527.14325	0.4
545.15192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64328	1.6
53.03935	8.9
55.01869	8.0
55.05507	33.7
57.03437	16.1
57.07052	3.5
65.03922	5.1
67.05498	78.7
69.03423	24.0
69.07063	21.7
70.55135	7.6
70.83728	1.5
71.04993	8.4
73.02898	2.9
77.03886	1.9
79.05485	59.7
81.03410	100.0
81.07047	80.3
81.73571	1.8
83.04971	34.0
83.08613	26.8
85.02894	21.6
85.06538	4.0
91.03952	1.6
91.05473	54.5
91.47353	1.5
93.07037	62.5
95.04964	33.7
95.08593	49.4
96.08921	1.9
97.02891	20.8
97.06536	10.5
97.10150	10.0
99.04432	4.9
99.08033	2.1
103.05460	2.9
105.07022	41.3
107.04933	7.6
107.08579	31.6
109.02868	10.9
109.06520	8.7
109.10142	21.3
111.04439	19.0
111.08057	12.8
111.20234	1.7
113.06001	2.8
115.05403	2.2
116.65249	1.7
117.07054	9.5
119.04965	2.0
119.08570	37.5
121.06517	3.9
121.10132	31.9
123.08068	4.7
123.11688	7.5
125.09612	2.9
127.03902	10.1
128.06154	1.9
129.05498	12.1
129.06981	14.8
131.08557	27.3
133.06532	4.0
133.10123	25.1
135.08051	2.4
135.11652	18.2
137.09610	2.9
141.06993	3.0
143.08551	6.4
145.06444	3.9
145.10078	13.9
147.08047	4.0
147.11662	25.1
149.09593	6.6
149.13222	5.7
151.07460	1.7
151.11162	3.6
153.12704	4.0
155.08524	5.5
157.10109	16.2
159.11699	10.5
161.09561	2.4
161.13235	4.9
163.11139	6.8
163.14772	3.6
165.12698	3.6
169.10170	1.9
171.11656	4.9
173.13225	9.2
175.11168	12.9
175.14793	2.5
177.12715	1.9
181.12210	7.3
183.11603	3.9
184.07344	3.6
185.09590	2.3
185.13261	3.0
187.14832	3.9
189.11195	2.1
191.10663	4.7
193.12221	43.3
197.13229	3.5
199.11226	2.5
199.14967	2.0
211.13264	68.1
225.16562	2.4
227.12691	12.1
229.14279	5.3
243.21120	2.8
249.14879	1.9
259.20575	2.6
261.22089	10.1
267.15808	16.0
275.20163	2.3
276.20529	2.2
277.21591	3.2
279.23227	2.7
283.15454	7.8
285.16940	24.5
292.90158	2.0
301.21588	2.3
317.24689	4.1
319.22510	2.4
335.21954	3.0
335.25806	51.0
337.16458	1.7
337.27380	5.8
341.24792	2.5
345.24182	2.7
353.16101	2.2
355.17453	5.2
369.24213	8.8
387.25229	3.9
403.25372	1.7
405.26245	2.0
411.20123	2.4
427.19693	2.6
429.21414	15.3
435.32495	1.8
453.33356	3.1
461.28870	4.9
471.34836	2.4
479.29861	3.7
527.37396	13.9
543.36096	2.9
545.38318	64.4
563.38989	2.0
569.35809	1.9
609.44678	3.4
615.37994	1.7
653.40228	6.4
671.41058	5.3
689.42358	29.0
707.43054	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	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08098	1.9
53.03930	7.3
54.12339	2.9
55.01863	10.3
55.05505	33.1
57.03428	15.4
57.07056	8.9
61.02908	2.4
65.03921	6.5
67.05498	75.6
69.03417	21.4
69.07060	22.5
69.28607	21.1
69.29017	4.6
71.04972	12.8
71.12919	1.9
73.02908	3.2
74.99503	2.2
79.05485	54.7
80.05791	3.2
80.24401	2.1
81.03409	100.0
81.07047	80.5
82.07375	2.4
83.04972	37.3
83.08605	28.3
85.02901	20.2
85.06545	2.8
86.09714	2.2
87.04462	38.2
88.04784	4.1
91.05472	54.2
93.06464	3.9
93.07031	59.5
95.04963	31.6
95.08045	3.8
95.08598	51.7
97.02879	21.4
97.06532	11.3
97.10163	11.0
98.21101	11.7
99.04435	5.8
99.08060	4.6
105.07014	48.1
107.04944	11.3
107.08580	38.9
109.02880	13.4
109.06495	8.0
109.10142	28.1
111.04425	19.7
111.08065	12.6
113.06026	2.9
115.05479	2.3
117.07008	15.5
119.04887	2.8
119.08566	45.1
121.06490	8.4
121.10120	28.2
123.08028	6.0
123.11716	11.6
125.09618	7.2
127.03896	8.9
127.07509	2.2
127.34586	2.3
128.06190	2.8
129.05457	8.9
129.06998	14.0
131.08528	26.9
133.06445	5.3
133.10123	23.8
135.08015	4.3
135.11674	11.7
142.07747	5.8
143.08522	9.0
143.28250	2.2
145.06448	3.0
145.10115	21.1
147.08015	6.4
147.11662	28.6
149.09598	8.3
149.13321	5.3
151.07402	2.3
153.12762	4.4
155.08539	6.5
157.06483	2.8
157.10098	24.1
159.11658	9.3
161.09598	2.6
161.13283	6.2
163.11133	8.9
165.12717	4.7
169.10077	5.7
171.11649	6.2
173.09549	3.3
173.13269	8.0
175.11145	12.9
175.14854	2.7
177.12666	2.9
181.12202	6.9
183.11658	5.3
184.07249	9.1
185.13228	4.7
187.14848	3.5
189.11166	2.8
191.10583	5.6
191.14304	2.5
193.12215	41.0
194.05299	2.2
195.11581	3.0
197.13261	4.8
199.11243	2.7
208.54787	2.6
209.13214	3.2
211.11285	4.6
211.13254	56.2
211.15234	3.2
227.12717	17.3
229.14311	5.2
243.21049	4.0
249.14867	3.7
259.20557	3.6
261.22122	8.4
267.15961	17.4
275.20074	3.8
275.23276	1.9
277.21677	5.1
278.21707	2.3
279.23212	2.8
280.15573	2.3
283.15356	7.0
285.16888	30.0
291.22855	2.4
301.21732	3.1
303.23157	2.7
317.24667	3.1
335.25867	29.8
337.27420	5.5
345.24271	3.7
351.23236	3.2
355.17438	4.9
369.24252	6.4
387.25034	6.5
405.26270	5.0
429.21112	12.3
443.27515	3.2
453.33502	2.8
461.28757	7.0
509.36075	4.4
517.39111	2.3
527.37384	18.1
545.38190	48.5
569.38208	2.9
609.44714	7.4
653.40295	12.6
671.40875	10.1
689.42432	31.5
690.42810	2.5
707.46130	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	708.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01859	3.3
55.05503	9.7
57.03433	7.6
57.07055	0.8
57.78218	0.7
59.01275	0.7
59.04987	0.7
61.02920	4.4
67.05495	17.2
69.03416	2.5
69.07056	7.7
69.63384	5.8
71.01338	0.8
71.04981	2.0
73.02892	2.1
79.05482	14.1
81.02962	1.2
81.03407	16.7
81.07045	19.3
83.04974	9.6
83.08598	6.9
85.02888	7.6
85.06520	2.0
88.05667	0.7
91.03931	2.3
91.04953	1.2
91.05469	16.2
93.07034	16.6
93.48136	0.7
94.07359	1.0
95.04952	9.6
95.08591	9.6
97.02880	5.0
97.06516	2.6
97.10149	3.6
99.04407	1.4
105.07020	14.9
107.04944	9.3
107.08572	10.1
109.06519	4.8
109.10142	8.9
111.04423	2.4
111.08048	3.7
115.05425	0.8
117.07010	4.3
119.08562	11.1
121.06495	4.0
121.10114	5.9
123.04437	0.9
123.08049	3.4
123.11737	0.8
125.09590	1.9
127.03899	0.9
129.05472	0.8
129.06976	4.5
131.08549	8.9
133.06483	2.3
133.10127	10.1
135.08008	2.5
135.11664	6.4
137.09618	1.8
143.08473	1.1
145.06453	1.0
145.10094	9.6
147.08040	3.5
147.11693	7.6
149.09622	3.1
149.13271	1.4
151.11153	2.5
153.12718	3.0
155.08521	1.2
157.10110	3.8
159.08012	1.0
159.11678	3.2
161.09653	1.1
161.13251	1.4
163.05972	0.9
163.11166	9.9
163.14673	0.8
165.12755	1.2
169.10149	0.9
173.09607	2.3
173.11856	1.6
173.13249	2.3
175.11192	4.6
181.12186	3.0
183.02618	0.8
183.11674	1.7
191.10645	2.5
191.14268	2.0
193.12198	10.2
197.13106	0.9
199.13243	1.8
201.12700	1.7
207.13766	1.8
209.11719	2.4
211.13251	11.4
215.18016	1.0
219.13806	1.5
227.12729	4.2
229.14369	2.9
239.17876	1.9
247.20647	1.4
257.18893	4.3
265.14294	2.1
267.15930	7.5
275.20035	29.3
283.15424	6.3
285.16986	6.9
293.20996	3.6
301.16528	1.2
349.23691	100.0
350.23941	1.5
367.24832	2.4
421.25775	2.3
439.26752	5.1
493.28036	6.5
511.28958	5.1
533.37939	0.9
696.67950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03938	3.4
55.01620	1.0
55.01867	14.6
55.05503	31.6
57.03430	27.4
57.07060	2.3
57.86656	0.8
59.04980	2.7
61.02916	8.8
65.03929	2.6
67.05495	50.5
69.03417	8.8
69.07059	16.0
69.36053	3.0
69.36475	5.1
70.06561	0.9
71.01331	1.8
71.04982	8.4
73.02913	6.6
73.06555	0.9
79.05482	46.0
80.06255	1.1
81.03407	91.7
81.07047	44.8
81.07421	0.5
82.04179	6.2
83.04472	1.3
83.04974	29.9
83.08609	37.5
84.02111	1.4
84.05767	0.9
85.02895	34.2
85.06520	4.1
87.04455	1.7
90.61095	0.7
91.03959	4.4
91.05469	53.7
93.07033	32.7
94.07844	1.1
95.04957	44.4
95.08591	19.7
96.05748	1.7
97.02875	12.0
97.06522	11.4
97.10158	18.9
98.07296	5.6
98.21451	1.4
99.04436	2.4
99.08086	2.7
101.06030	1.2
102.02637	0.8
105.03381	0.8
105.04491	1.3
105.07017	31.2
107.04936	16.4
107.08585	21.8
109.02881	2.1
109.06497	9.1
109.10137	15.3
110.33666	0.7
111.04445	6.0
111.08061	19.9
113.05995	3.4
115.03996	0.8
115.05447	2.6
116.04693	14.0
117.07005	5.8
119.04918	1.1
119.08567	28.5
121.06475	5.1
121.10122	14.8
123.04406	1.7
123.08061	9.2
123.11682	3.1
125.05939	1.4
125.09618	18.4
127.03899	1.7
127.07524	1.2
127.11166	1.4
128.06200	0.9
129.05466	31.4
129.06956	14.0
130.07808	0.9
131.04982	0.9
131.08554	18.4
133.06493	5.3
133.10117	19.8
135.08070	3.6
135.11685	6.8
136.08823	1.0
137.05945	1.1
137.09625	5.7
139.07500	1.1
142.07722	3.1
143.07013	9.1
143.08168	1.0
143.08582	1.1
143.10643	2.7
145.10124	8.7
147.08028	6.4
147.11667	23.8
149.09624	11.4
151.11169	1.6
153.09064	2.1
153.12718	5.0
155.08502	0.9
157.08592	15.2
157.10107	21.9
158.05708	2.3
163.11140	11.1
164.11855	0.9
165.12729	6.6
166.95616	0.7
171.06519	4.0
171.10149	5.7
173.09651	2.8
173.11732	6.7
175.11163	25.0
180.42938	0.9
181.12178	4.8
185.08072	1.2
185.11731	2.2
189.11217	8.1
191.10620	5.2
193.12219	78.7
194.12552	1.5
197.33675	0.8
199.09523	1.9
199.13258	16.7
200.14067	3.0
201.12793	0.9
201.14790	0.8
209.11714	12.5
210.12390	2.0
211.13263	100.0
212.13641	1.7
227.12772	15.9
229.14275	5.5
247.13298	3.3
249.14847	2.6
255.15900	4.6
259.13306	0.9
265.14413	1.7
267.15881	34.1
269.17706	0.8
275.20129	1.5
283.15356	15.1
284.15985	2.6
285.16922	76.3
286.17200	1.7
301.16428	67.8
302.16833	2.1
317.21088	1.0
339.17883	2.2
360.30554	1.0
382.26926	1.4
383.21579	1.1
409.25888	5.5
419.24136	1.2
421.25800	3.2
427.27023	4.0
437.25241	2.1
439.26871	19.3
447.27216	1.0
453.76065	0.9
458.26602	0.9
459.27209	3.4
475.27072	5.0
476.27371	3.8
477.28439	6.9
493.27884	19.8
494.28534	6.1
511.28967	68.0
512.29333	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24418	0.6
53.03926	1.2
53.16191	0.6
55.01859	2.6
55.05503	6.3
55.93526	0.7
57.03434	5.0
57.07048	1.3
59.04971	0.9
61.02921	4.1
67.05495	19.8
69.03427	3.1
69.06720	0.7
69.07060	9.6
70.95846	1.2
71.04976	2.3
71.62137	0.7
72.93765	1.6
73.02896	1.8
79.05483	11.5
79.88988	0.6
81.03406	9.5
81.07051	19.5
83.04980	7.0
83.08619	5.2
85.02896	8.4
85.06517	1.8
86.01525	0.7
90.94810	1.5
91.03947	3.2
91.05466	14.4
93.07034	14.9
95.04963	6.3
95.08597	11.3
97.02873	3.6
97.06516	2.4
97.10143	2.5
99.04448	0.8
99.08112	0.6
105.07017	14.8
107.04953	5.6
107.08569	10.9
108.95897	1.1
109.02833	0.7
109.06506	5.7
109.10142	9.1
111.04379	0.8
111.08073	2.7
112.03419	0.6
115.05461	0.8
117.06991	4.5
119.07777	1.0
119.08568	11.5
120.08926	0.7
121.06505	5.7
121.10126	6.5
123.08042	3.2
123.11672	1.4
125.09611	2.3
127.03872	1.9
129.05556	0.9
129.06938	2.9
131.00041	0.8
131.08560	10.8
133.06468	2.2
133.10121	13.3
135.08040	2.2
135.11673	4.0
137.09595	1.8
139.07536	0.8
141.07018	0.7
143.08514	2.1
145.06488	1.4
145.10095	8.0
147.08047	2.8
147.11674	8.8
149.09586	3.9
149.13252	1.5
151.11157	2.6
155.08548	1.3
157.10152	3.4
159.08044	1.7
159.11708	5.5
161.09590	2.0
161.13239	1.5
163.05984	1.3
163.11136	6.0
165.12714	1.3
169.10165	1.0
171.11646	1.8
173.09618	1.4
173.11731	1.4
173.13222	3.4
175.11183	4.0
175.14769	0.7
177.00591	0.8
177.12715	1.4
183.11641	1.2
185.13210	1.0
187.11180	1.3
189.00526	1.4
189.12778	1.3
191.14275	1.4
193.12291	4.6
197.13239	1.2
201.12718	2.2
207.13731	1.9
209.11763	1.0
211.13243	5.6
215.14442	0.9
215.17950	1.2
219.13773	2.3
221.02464	0.7
227.12732	1.3
229.14291	4.6
229.19472	1.4
233.18996	0.8
239.17918	1.9
247.20528	2.0
255.15826	0.7
257.18976	6.3
267.06525	0.9
267.15854	8.4
268.07101	0.7
271.06284	1.8
272.06387	1.2
275.20035	37.5
276.20413	1.5
283.06168	2.9
283.15359	2.7
284.06537	1.7
285.17007	4.0
293.13434	1.1
293.21063	2.9
301.16388	1.3
306.08041	1.0
345.11194	1.5
346.11673	1.2
349.23697	100.0
350.23938	3.0
363.12430	7.8
364.12805	8.0
365.12616	1.8
367.24759	32.3
372.16895	0.6
381.13510	5.7
382.13885	7.8
383.13644	2.1
401.14655	0.6
404.15070	1.5
405.15585	1.7
421.25940	4.0
439.26843	2.1
447.27383	1.4
461.28799	0.7
475.26923	1.5
493.27866	3.6
511.28568	3.9
566.10498	0.7
658.01447	0.8
708.39331	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.05505	8.8
56.96544	2.1
57.03437	6.9
57.07050	1.5
61.02636	1.2
61.02917	12.2
61.90998	1.1
62.15892	1.2
64.59689	1.2
67.05499	21.9
67.28542	1.0
69.03416	4.0
69.07059	9.4
70.72140	0.9
71.04987	5.2
71.62292	1.5
73.02888	4.4
79.05053	1.7
79.05485	27.6
81.03420	6.0
81.07052	26.2
83.04964	3.3
83.08614	5.8
85.02903	18.4
85.06544	1.6
89.05958	1.0
89.47123	1.1
91.03940	11.8
91.05472	22.6
92.41176	1.1
93.06462	2.3
93.07034	36.5
95.04958	5.9
95.08604	14.3
97.02890	8.2
97.06503	2.8
97.10155	3.7
99.08047	1.2
105.07020	26.9
107.04920	1.8
107.08582	22.4
107.70529	1.0
109.02845	2.0
109.06497	1.6
109.10147	11.5
111.08038	2.2
117.07015	8.6
119.07779	1.7
119.08572	22.7
119.09372	0.7
121.06477	1.3
121.10128	17.9
123.11712	2.0
125.09664	2.8
127.03917	5.8
129.07010	6.2
131.08534	9.6
133.10118	19.5
135.08067	2.1
135.11671	16.4
137.09616	1.5
139.03864	2.4
143.08507	5.6
145.04939	4.8
145.10088	9.2
146.10466	1.3
147.11673	17.8
147.61850	1.0
149.01202	2.2
149.13234	9.4
151.11176	1.3
157.10049	6.0
159.11684	10.0
161.13258	12.7
163.05989	8.0
163.11165	2.5
163.14812	3.3
171.11656	6.6
173.11850	1.5
173.13228	5.0
174.70927	1.1
175.11057	1.4
175.14769	6.4
177.00768	1.3
177.12706	1.9
184.07375	2.2
185.13326	5.5
193.12227	1.4
197.13318	1.4
199.14828	2.9
211.13260	1.2
213.16489	1.5
229.14313	3.0
231.21121	3.1
241.19469	13.8
259.20551	38.5
260.20956	1.5
267.15723	1.9
269.17398	6.1
277.21594	4.8
282.05460	1.1
285.10052	3.5
296.78391	1.2
301.16394	1.2
301.21454	1.4
306.18442	1.0
323.14795	1.1
333.24240	7.7
338.82443	1.3
349.23782	1.4
351.25256	100.0
352.25522	4.0
357.15558	3.6
357.65726	1.5
363.25095	2.7
367.22464	2.2
375.25311	2.9
417.26254	2.1
421.25732	1.1
423.27017	3.1
441.26389	3.7
447.27036	1.1
459.27255	3.0
477.28354	5.7
495.29373	10.4
657.34973	1.7
710.34570	9.4
711.34711	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	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74875	0.6
50.76593	0.6
53.03930	2.2
53.76014	0.6
55.01858	2.4
55.05257	0.7
55.05503	8.6
57.03429	10.6
61.02915	1.8
64.42684	0.6
65.03928	0.8
67.05164	0.9
67.05499	15.1
69.03420	3.8
69.07059	4.8
69.35137	5.7
71.01340	0.8
71.04979	2.8
73.02942	0.5
79.05051	1.1
79.05483	15.1
81.03410	72.8
81.07044	16.2
82.03773	0.7
83.04977	8.7
83.08611	16.3
85.02409	0.9
85.02896	13.1
85.06532	1.5
86.09679	0.8
87.04430	0.7
91.05468	18.7
93.07034	11.4
95.04959	25.4
95.08599	6.7
97.02890	3.9
97.06520	2.9
97.10168	4.4
99.04491	0.8
99.08070	1.2
105.07017	15.6
107.04945	7.6
107.08579	6.6
109.02872	0.7
109.06526	3.9
109.10129	4.4
111.04444	3.0
111.07427	0.8
111.08068	6.8
113.05997	1.0
115.05434	1.8
117.07005	2.8
119.04933	1.2
119.08556	12.7
121.06500	4.2
121.10123	7.6
123.04420	1.5
123.08040	2.8
123.11732	0.8
125.09607	2.5
127.03909	0.7
128.06294	0.6
129.06996	9.8
131.04897	0.8
131.07591	0.6
131.08559	10.4
131.15198	0.6
133.06499	3.0
133.10097	9.2
135.08017	1.5
137.05948	1.5
137.09654	1.5
139.03912	2.0
142.07762	2.5
143.08531	1.4
145.04976	0.6
145.06474	3.7
145.10083	3.4
147.04401	1.3
147.08022	4.3
147.11668	8.6
149.09601	5.4
151.03850	0.6
151.07605	0.6
153.01807	1.1
157.06462	0.9
157.10123	10.1
159.07993	0.8
159.11688	1.0
159.71924	0.8
161.05910	0.8
161.09572	0.7
163.03963	0.8
163.11153	2.0
165.12721	1.9
167.06969	1.8
169.10165	1.0
171.08003	1.0
171.11676	1.0
173.09528	0.7
175.11163	13.4
177.18123	0.7
181.10048	0.8
183.11609	0.6
184.07265	2.3
189.11197	1.4
193.12225	28.7
195.11641	0.7
199.11147	0.8
211.11314	0.8
211.13260	16.4
215.14372	0.8
219.13788	1.2
229.14423	1.0
233.15343	1.0
249.14857	1.7
255.13841	2.3
267.15884	100.0
268.16147	2.0
273.14761	3.2
285.16922	16.1
303.05154	0.7
309.16977	0.8
325.13855	0.7
339.16245	0.7
339.23212	1.4
341.21054	1.2
349.21606	2.5
357.24542	0.6
367.22623	8.0
372.80054	0.7
374.55673	0.6
385.23679	11.8
403.24472	2.9
405.24225	0.9
407.19775	0.6
415.24884	1.4
433.25772	14.6
434.25967	1.0
434.64688	0.8
441.26337	6.2
458.10370	0.7
459.27371	71.9
460.27792	3.2
477.28418	46.4
478.29211	1.2
495.29202	2.4
519.29321	1.8
529.17157	1.1
530.17450	3.3
548.18011	0.9
636.93597	0.7
710.38257	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	713.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.05492	0.7
56.96555	0.6
57.03420	0.6
61.02913	0.9
67.05482	1.2
69.03415	0.5
69.07057	0.7
71.04980	0.7
71.61662	0.4
73.02900	0.7
74.10340	0.3
79.05480	1.0
81.03402	0.7
81.07046	1.3
83.04961	0.7
85.02911	1.5
86.09654	0.5
91.03937	0.4
91.05468	1.0
93.07034	1.1
95.04922	0.8
95.08582	0.7
97.02904	1.1
105.07034	0.8
107.08582	0.9
109.06535	0.3
109.10147	0.8
111.04458	0.3
119.08559	0.3
120.04419	0.5
120.08035	0.4
121.06496	0.4
121.10097	0.5
121.47058	0.4
123.04397	0.3
123.07946	0.4
126.05514	0.5
127.03899	0.6
131.00145	0.7
131.08598	0.7
134.99590	0.5
135.11668	0.4
137.05974	0.4
138.05562	0.6
139.03925	0.6
145.10106	0.5
147.08101	0.3
149.01222	1.0
149.09627	0.4
156.03575	0.4
163.03999	0.5
163.11159	0.4
167.02228	0.4
168.06299	0.3
193.12202	0.5
204.08685	0.6
243.08624	0.4
245.09752	0.3
252.09399	0.5
267.08939	1.7
282.07278	0.4
285.09991	2.2
287.11563	0.5
309.10071	0.4
325.12112	0.6
325.62704	0.5
326.12509	1.2
326.62567	0.6
327.11874	0.6
374.66037	1.2
375.16364	1.0
375.66302	0.5
376.16217	0.6
433.64233	0.3
434.21222	0.4
467.18930	0.4
469.20374	0.7
485.17148	2.6
554.28387	0.3
677.28033	0.8
695.31934	1.0
713.31476	100.0
714.18970	0.4
714.31769	6.7
728.11603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01862	0.9
55.05497	1.0
56.96515	0.4
57.03428	2.1
57.07067	0.9
61.02920	3.7
67.05495	1.9
69.03425	2.9
69.07053	1.0
70.06560	0.5
71.04993	0.9
71.62086	0.7
71.62441	0.4
72.90025	0.4
73.02908	2.5
79.05483	1.8
81.03413	3.1
81.07048	2.3
83.01097	1.0
83.04982	1.4
83.08611	0.8
85.02888	5.7
91.03945	2.9
91.05474	2.8
93.07034	1.6
95.01105	0.6
95.04958	1.4
95.08611	0.9
97.02893	3.5
97.10163	0.6
99.04457	1.0
101.02380	1.6
105.07043	1.6
107.04990	0.7
107.08596	1.1
109.02869	0.5
109.10139	0.8
117.05531	0.5
119.08586	1.3
121.10167	0.9
123.04234	0.6
123.08035	0.5
125.09645	0.8
127.03927	1.9
129.05486	2.1
129.07018	0.9
131.08554	0.9
133.10101	0.7
135.11742	0.7
137.05960	2.0
145.04927	0.7
145.10182	0.8
147.11794	0.8
157.10178	0.8
163.03903	0.4
163.11189	0.5
175.11162	0.8
181.04718	1.0
183.06483	0.5
184.03447	0.6
185.04218	4.9
193.12317	0.9
195.06310	0.4
197.05817	0.4
199.05804	0.9
199.13332	0.8
201.03624	1.9
201.15056	0.4
203.05261	0.8
211.13269	0.9
241.06776	0.8
243.08313	4.2
251.12506	2.5
259.07831	0.7
265.13934	0.5
277.14127	1.7
285.16934	0.6
287.11798	0.5
291.15717	0.8
301.08917	14.2
307.15250	0.6
313.09030	0.8
315.10483	3.4
317.08615	0.7
321.16718	0.4
327.10706	0.7
329.12219	0.6
341.12210	1.2
343.13763	0.5
349.16089	2.5
355.13950	0.7
357.15332	0.8
367.17389	1.3
369.15289	0.7
371.16934	1.5
373.10989	5.8
383.16708	4.0
385.18259	6.4
387.12619	1.6
395.16867	1.7
397.18460	0.9
401.14096	0.4
413.18234	0.8
424.24799	0.4
429.17416	1.5
433.25793	1.6
439.19336	2.0
441.21579	0.5
443.19058	4.2
451.19012	0.7
457.20401	1.1
467.19016	0.7
469.20428	15.2
470.20694	0.8
479.26263	1.0
483.21948	0.9
485.19833	3.9
499.21045	3.0
511.21677	1.6
519.57855	0.5
527.27954	1.4
528.21698	3.9
541.22382	7.6
555.24304	1.9
567.11835	0.6
569.27277	1.8
583.30188	1.7
597.29272	0.6
611.30231	4.6
612.30914	4.1
625.31854	0.7
641.31311	1.7
651.33380	0.9
653.31909	1.3
655.32837	0.8
667.33038	1.2
695.32965	2.4
696.33014	0.8
713.33392	100.0
714.33929	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	713.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01862	0.9
55.05497	1.0
56.96515	0.4
57.03428	2.1
57.07067	0.9
61.02920	3.7
67.05495	1.9
69.03425	2.9
69.07053	1.0
70.06560	0.5
71.04993	0.9
71.62086	0.7
71.62441	0.4
72.90025	0.4
73.02908	2.5
79.05483	1.8
81.03413	3.1
81.07048	2.3
83.01097	1.0
83.04982	1.4
83.08611	0.8
85.02888	5.7
91.03945	2.9
91.05474	2.8
93.07034	1.6
95.01105	0.6
95.04958	1.4
95.08611	0.9
97.02893	3.5
97.10163	0.6
99.04457	1.0
101.02380	1.6
105.07043	1.6
107.04990	0.7
107.08596	1.1
109.02869	0.5
109.10139	0.8
117.05531	0.5
119.08586	1.3
121.10167	0.9
123.04234	0.6
123.08035	0.5
125.09645	0.8
127.03927	1.9
129.05486	2.1
129.07018	0.9
131.08554	0.9
133.10101	0.7
135.11742	0.7
137.05960	2.0
145.04927	0.7
145.10182	0.8
147.11794	0.8
157.10178	0.8
163.03903	0.4
163.11189	0.5
175.11162	0.8
181.04718	1.0
183.06483	0.5
184.03447	0.6
185.04218	4.9
193.12317	0.9
195.06310	0.4
197.05817	0.4
199.05804	0.9
199.13332	0.8
201.03624	1.9
201.15056	0.4
203.05261	0.8
211.13269	0.9
241.06776	0.8
243.08313	4.2
251.12506	2.5
259.07831	0.7
265.13934	0.5
277.14127	1.7
285.16934	0.6
287.11798	0.5
291.15717	0.8
301.08917	14.2
307.15250	0.6
313.09030	0.8
315.10483	3.4
317.08615	0.7
321.16718	0.4
327.10706	0.7
329.12219	0.6
341.12210	1.2
343.13763	0.5
349.16089	2.5
355.13950	0.7
357.15332	0.8
367.17389	1.3
369.15289	0.7
371.16934	1.5
373.10989	5.8
383.16708	4.0
385.18259	6.4
387.12619	1.6
395.16867	1.7
397.18460	0.9
401.14096	0.4
413.18234	0.8
424.24799	0.4
429.17416	1.5
433.25793	1.6
439.19336	2.0
441.21579	0.5
443.19058	4.2
451.19012	0.7
457.20401	1.1
467.19016	0.7
469.20428	15.2
470.20694	0.8
479.26263	1.0
483.21948	0.9
485.19833	3.9
499.21045	3.0
511.21677	1.6
519.57855	0.5
527.27954	1.4
528.21698	3.9
541.22382	7.6
555.24304	1.9
567.11835	0.6
569.27277	1.8
583.30188	1.7
597.29272	0.6
611.30231	4.6
612.30914	4.1
625.31854	0.7
641.31311	1.7
651.33380	0.9
653.31909	1.3
655.32837	0.8
667.33038	1.2
695.32965	2.4
696.33014	0.8
713.33392	100.0
714.33929	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	714.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52636	0.3
55.01866	0.4
57.03433	0.8
61.02913	0.8
69.03418	4.6
69.44157	1.5
69.44583	2.5
71.04993	0.6
73.02910	1.0
74.97263	0.4
79.05480	0.9
81.03412	1.8
85.02890	4.7
87.04475	0.6
90.42261	0.4
91.05465	0.5
93.07048	1.1
94.06561	2.0
95.07352	0.9
96.08118	2.5
97.02879	2.0
98.21490	0.9
104.08591	0.4
105.07002	0.6
105.33385	0.4
107.07332	1.5
108.08092	5.5
109.02888	1.0
110.06000	0.4
110.09657	5.0
118.06509	0.4
119.08594	0.5
120.04471	1.3
120.08103	4.9
122.05994	6.2
122.09639	4.0
124.07574	0.9
125.94204	0.4
127.03910	1.0
136.07558	7.4
137.05937	0.5
138.05478	0.6
138.09125	7.1
145.10107	0.6
146.05984	1.3
148.07578	4.6
149.05936	0.5
150.05453	0.6
150.09125	6.2
152.07050	1.1
152.10750	0.6
164.07048	1.6
166.08615	14.5
172.03893	0.5
176.10640	0.6
180.10295	0.8
181.44189	0.4
184.09993	0.4
185.10811	0.4
190.04987	1.0
194.08186	1.1
197.10809	1.2
199.12267	0.6
204.06630	0.6
205.43231	0.4
207.09216	0.6
208.10062	0.9
209.10706	1.2
211.12274	0.8
211.29869	0.4
212.09419	0.9
213.10149	0.5
220.09970	0.5
221.10765	0.4
223.08632	1.1
223.12323	1.7
224.09415	0.7
225.10161	2.9
227.11792	1.7
233.10876	0.6
235.08733	1.6
235.12386	0.6
236.09477	1.7
237.10199	8.4
238.11006	1.5
239.08121	1.1
239.11803	3.8
241.09795	0.9
247.08511	0.6
248.09392	1.7
249.10199	6.5
250.10876	2.3
251.08205	1.9
251.11794	7.4
252.12555	1.5
253.09723	4.2
254.10390	0.6
255.11211	2.8
261.10181	4.4
262.11020	1.6
263.11746	5.5
264.08847	0.8
265.09698	11.4
265.12839	0.6
266.10422	1.7
267.11200	5.6
269.12958	0.7
271.10904	1.4
273.12378	1.0
277.09702	2.9
278.06644	1.4
278.10516	4.0
279.07776	2.3
279.11212	13.0
280.11969	2.4
281.09256	2.5
281.12848	1.9
282.10004	1.6
283.10776	6.0
283.14111	0.8
285.12372	1.5
287.14017	0.6
289.09665	9.8
290.10306	0.8
291.11246	4.2
293.09216	5.0
293.12860	4.3
294.09998	3.1
294.13275	0.9
295.10806	4.0
295.14233	0.7
296.11685	2.6
297.09073	0.7
297.12091	2.1
298.12744	0.7
299.10291	0.9
303.05054	0.7
306.10025	1.1
307.10675	3.4
308.11591	1.0
309.08987	0.9
309.12198	4.0
310.12900	1.1
311.10248	6.4
311.13962	3.0
312.11115	2.7
313.11685	2.7
314.12491	1.2
317.09265	1.3
319.10654	0.7
321.08774	0.7
321.12283	1.1
323.10242	2.0
323.13980	2.8
324.11014	2.4
325.11728	4.9
326.12561	3.0
327.13403	6.1
328.14014	0.8
329.15140	1.0
335.10214	17.5
336.10864	1.0
337.11847	2.9
339.13339	39.6
340.10495	3.4
340.14001	0.8
341.11282	3.5
341.14749	0.7
342.16135	0.8
349.11850	0.6
352.10739	1.2
353.11234	9.3
354.11911	4.3
355.12845	13.3
356.13474	0.6
361.02228	0.7
367.12836	34.6
368.13501	1.0
369.14960	0.6
372.17419	0.6
390.18552	0.6
399.15659	0.8
402.17960	0.5
416.20169	0.7
418.17847	0.7
419.18469	0.6
432.19205	2.1
442.17691	1.6
444.19366	0.6
450.20856	0.6
460.18765	3.7
461.19205	0.7
470.17282	0.8
472.18497	0.6
474.20062	0.8
478.19644	1.1
488.18137	19.1
489.19006	0.7
490.19742	0.6
492.21423	1.3
500.57941	0.5
502.20135	1.1
506.19113	14.1
520.20721	17.2
534.18829	1.1
622.24030	1.6
632.22113	0.6
650.23297	10.4
654.26648	1.2
682.25934	100.0
683.26233	3.4
696.39252	0.6
714.29102	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	714.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
53.92248	0.7
55.05503	8.4
56.05030	4.3
57.07059	3.3
58.06588	0.9
60.04504	2.5
67.05495	12.1
68.13290	0.9
69.03440	1.0
69.07063	8.4
70.06582	2.3
71.08629	1.1
71.53060	1.9
79.05484	10.1
80.05006	3.6
81.05779	2.1
81.07052	10.7
82.06569	7.7
83.08640	4.9
84.08140	0.9
85.02898	2.3
85.10194	1.0
88.07737	0.8
91.05473	8.4
93.07034	10.3
94.06558	18.7
94.64283	0.9
95.04959	1.3
95.07334	8.6
95.08597	7.6
96.08116	7.5
97.02919	1.0
97.10139	2.7
105.07027	5.0
107.08577	5.9
108.08118	3.2
109.02834	0.7
109.10161	2.3
111.11699	1.0
115.60918	0.9
119.08564	4.3
121.10120	5.5
122.09679	3.9
123.11703	1.0
133.10094	3.4
135.11700	3.4
147.11691	1.6
157.12082	0.8
161.13287	0.8
233.22581	4.0
245.22557	4.6
250.25299	5.4
254.24689	1.6
262.25284	100.0
263.25659	1.2
266.14612	0.9
272.25818	6.1
280.26361	6.3
368.31677	1.1
504.47717	5.5
516.47723	37.3
516.55414	1.9
517.48450	1.9
518.49127	6.9
522.74854	0.9
534.48785	24.3
535.49170	0.9
575.47992	0.9
619.16211	0.9
696.54047	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	714.5504
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03918	1.0
55.05507	5.9
56.05036	4.4
56.77332	0.8
57.07076	3.1
58.06590	0.7
60.04512	2.4
62.49712	0.6
65.03925	0.6
66.67313	0.7
67.05499	13.0
68.05006	1.0
69.03417	1.7
69.07064	7.5
69.97853	3.0
70.06572	2.1
71.08613	1.7
79.05482	10.0
80.05008	3.0
81.03430	0.7
81.05776	1.5
81.07052	9.6
82.06564	7.4
83.08613	4.9
83.47871	0.7
85.02857	1.7
86.06018	0.7
91.05471	9.2
93.05804	0.9
93.07038	9.9
94.06560	20.3
95.04948	1.7
95.07342	10.1
95.08593	8.4
96.08116	5.6
97.10156	2.4
98.09719	0.6
98.20814	1.2
103.35287	0.6
105.07027	5.7
107.08586	4.7
108.08096	3.3
109.10152	3.3
111.11690	0.9
119.08585	4.9
121.10130	5.8
121.53546	0.7
122.09633	2.0
123.11710	1.2
133.10121	4.4
135.11700	3.1
135.36595	0.7
145.63040	0.6
147.11662	1.7
149.13309	1.1
233.22594	4.4
234.22212	1.2
245.22598	4.5
250.25273	7.6
254.24844	1.0
262.25275	100.0
263.23495	0.8
272.25772	5.0
280.26315	6.2
334.29041	0.7
495.91095	0.6
504.47729	6.1
516.47711	36.5
517.47955	0.8
518.49463	6.0
534.48767	24.8
696.54199	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	715.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
61.02930	0.3
67.05496	0.4
69.07059	0.2
71.04981	0.2
71.62182	0.3
71.62571	0.2
79.05499	0.4
81.03397	0.2
81.07054	0.4
83.01083	0.8
85.02879	0.2
91.05485	0.3
93.07035	0.6
95.01062	0.5
95.08589	0.3
97.02663	0.2
105.07040	0.4
107.08611	0.3
117.07001	0.2
119.08600	0.3
123.04377	0.2
125.02167	0.2
127.03702	0.2
131.08549	0.2
133.03436	0.3
133.10127	0.3
135.11682	0.2
139.03786	0.6
141.05243	0.2
145.10141	0.2
155.03189	0.2
156.03850	0.3
157.04724	0.5
161.03061	0.2
167.03250	0.2
169.04706	0.2
173.02971	0.3
184.03490	0.2
185.04169	2.2
188.50499	0.2
201.03694	1.9
203.05246	2.3
222.21545	0.2
241.06815	0.4
252.41385	0.2
257.06430	0.9
258.67380	0.2
259.07892	1.9
265.82001	0.2
271.07944	0.2
275.07388	0.7
277.07938	0.2
283.27625	0.2
301.09030	0.3
305.08133	0.3
317.08496	0.7
317.19678	0.4
319.09912	1.3
329.08533	0.5
331.09921	2.5
335.20679	0.2
345.11441	0.4
347.09445	3.8
359.13107	0.4
359.65326	0.2
363.08826	1.7
365.10544	4.1
373.14728	0.6
391.24689	0.9
401.18170	0.3
415.19592	0.8
421.13013	2.6
431.19281	0.2
437.12820	0.6
440.20575	0.2
441.20871	0.4
455.22690	0.6
463.14929	0.3
471.16003	0.2
483.21936	2.3
485.23615	0.2
493.15234	3.8
507.16928	0.9
521.18390	1.1
535.20007	1.1
535.28345	0.6
549.22272	0.4
553.29803	14.2
554.29968	0.3
563.23108	0.7
577.24438	1.5
603.25696	0.3
617.27856	0.7
625.32086	0.6
645.27026	1.0
715.34985	100.0
716.35339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
53.03943	7.4
55.01870	22.7
55.05506	20.1
57.03434	9.6
65.03923	3.9
67.05497	52.5
69.03419	13.8
69.07059	33.4
69.45023	3.1
69.45435	8.5
71.01318	1.4
71.04974	4.2
73.06541	1.6
79.05485	54.1
81.03410	32.0
81.07048	72.7
83.04977	17.6
83.08617	10.5
85.02888	8.9
85.06519	2.6
91.05473	79.2
93.07037	59.2
94.07310	1.4
95.01312	10.4
95.04964	25.3
95.08597	41.7
97.02895	6.6
97.06523	38.5
97.10127	3.4
98.20735	1.9
99.04424	2.8
99.08045	1.9
101.02351	1.2
103.05445	3.3
105.04520	2.3
105.07023	94.5
107.04266	2.2
107.04947	26.1
107.08578	24.0
109.02853	3.8
109.03776	1.1
109.06488	7.5
109.10152	11.2
111.04464	2.2
111.08047	5.4
112.33627	1.3
112.90659	1.3
115.05454	5.7
117.07005	24.4
119.08572	49.6
121.06487	7.5
121.10126	11.0
123.04408	4.2
123.08050	6.8
123.11693	2.4
125.09603	3.1
127.03903	5.2
128.06186	6.2
129.06999	18.4
129.67503	1.2
131.04929	2.9
131.08554	33.9
131.43167	1.2
133.06500	7.9
133.10121	52.3
135.08026	3.8
135.11688	11.4
137.09592	2.8
139.07515	3.1
141.06969	6.0
143.08519	11.9
144.09268	1.6
145.06462	7.9
145.10104	25.7
146.10945	1.3
147.08006	3.8
147.11676	20.9
149.09589	8.8
149.13283	4.1
151.11183	2.1
154.07758	1.5
155.08543	5.6
157.06448	3.7
157.10129	7.3
159.08043	3.3
159.11687	17.7
161.09637	2.7
161.13255	7.1
163.07536	1.5
163.11171	5.7
165.09019	2.0
167.08522	2.6
169.10109	4.2
171.08022	4.0
171.11679	15.7
173.04439	7.1
173.09567	3.1
173.13240	4.0
177.12720	5.6
179.14304	14.8
181.10091	2.7
183.08109	1.5
183.11670	4.1
185.09607	1.7
185.13234	4.0
187.11151	4.9
189.12704	3.9
195.11679	1.6
197.13275	1.8
199.11305	1.7
199.14751	1.5
201.12730	2.4
207.13754	5.7
208.74480	1.6
209.13318	2.2
211.11122	1.6
229.19447	2.7
241.14113	2.3
241.16162	2.7
247.17050	1.5
247.20435	2.2
251.14247	3.4
257.18942	7.7
259.16919	3.4
261.14883	1.3
263.16382	2.4
264.93509	1.6
269.15353	5.1
269.45728	1.4
275.20029	100.0
279.15918	8.2
281.17468	8.1
287.16406	11.7
293.21072	6.0
305.17432	3.1
307.15115	1.4
315.15936	2.4
331.19241	1.6
333.17117	2.3
343.18909	2.9
349.23758	36.3
351.17996	1.5
361.20065	3.0
377.23187	2.5
385.67230	1.2
404.13678	1.3
407.20554	4.0
425.21591	17.7
439.04791	1.7
473.65817	1.3
537.35535	5.4
555.36804	55.4
556.36932	2.1
569.37744	4.3
597.37933	1.7
635.39178	6.7
653.39838	3.0
681.39520	3.8
699.40863	18.3
717.42810	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	718.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03944	0.8
55.01867	2.0
59.85083	0.5
65.03945	2.6
67.05503	1.6
68.99795	0.6
69.03424	0.7
71.04995	1.0
71.37231	0.9
71.37569	0.4
75.04453	2.2
77.03915	0.9
78.04722	1.1
79.05505	3.4
81.03423	1.9
81.07047	1.0
83.05013	0.6
85.02898	3.9
86.09713	0.4
89.03913	0.5
89.06018	0.6
91.05473	8.3
93.03404	5.8
93.07038	2.6
94.04189	1.1
95.04958	5.2
97.06522	1.8
103.04773	1.0
103.05457	17.4
105.03365	0.7
105.07011	3.8
106.04163	8.9
107.04945	6.9
107.08594	0.7
108.02087	1.0
109.02892	0.6
109.06519	1.1
110.03645	0.6
111.04404	2.2
115.05431	3.9
117.03362	0.8
117.07003	3.7
118.04139	3.0
119.04933	2.2
119.08551	1.0
120.05704	0.8
121.06498	13.7
122.03636	3.0
123.04422	2.7
124.05202	1.4
125.05968	5.0
127.03927	0.7
128.06252	0.6
129.06978	1.5
130.04099	1.0
131.04918	30.5
131.08542	0.7
132.05685	1.6
133.02861	1.5
133.06456	3.9
134.03609	1.9
135.04405	1.8
135.08046	2.6
136.01620	0.5
137.05966	52.7
139.03912	1.4
139.07526	1.7
141.05426	2.3
143.04904	2.0
144.05716	1.1
145.02773	0.7
145.06479	3.8
146.03636	0.5
147.04407	2.3
147.08009	1.3
148.05170	10.9
149.05968	22.8
151.03894	65.6
151.04941	2.8
151.07422	2.3
152.04643	0.7
153.05470	2.9
153.09070	5.4
157.06473	1.5
158.07236	0.5
159.04340	1.1
159.08069	1.0
159.58600	0.5
160.05130	1.5
161.05965	4.4
162.01389	1.5
163.03908	2.5
163.07526	24.0
165.05511	3.0
165.09058	0.7
167.07027	17.2
168.07336	0.5
171.04430	1.0
171.06540	1.6
173.05940	3.9
175.07520	5.5
176.04684	2.5
177.05450	17.0
177.09058	1.2
179.01578	0.9
179.07030	2.2
179.08472	0.6
181.04945	23.8
181.08563	12.0
187.03731	0.6
187.07567	2.7
189.05376	1.5
189.07083	0.5
189.09111	1.7
190.00742	0.8
190.06236	0.9
191.07008	100.0
192.07700	1.3
193.03160	2.0
193.04947	1.2
193.08588	2.5
195.06509	3.0
201.05432	0.8
203.06973	3.4
205.04802	0.7
205.06627	0.9
205.08572	2.8
207.06412	1.3
207.08154	0.5
207.10176	1.0
208.01877	1.0
209.08069	85.5
213.05588	0.6
217.08594	1.1
219.10049	2.7
221.08046	1.0
222.06824	0.6
223.04224	14.8
223.07524	0.9
223.09651	0.7
225.09175	0.9
230.05843	0.6
231.06516	1.0
233.08061	3.7
234.06660	0.7
235.07486	1.0
235.09595	3.9
236.08093	0.7
237.09068	1.2
245.08044	1.1
247.07245	0.6
249.09000	1.6
251.06825	0.7
253.08559	0.6
259.09677	0.8
263.09155	18.6
265.08557	2.0
267.10092	1.6
277.08414	1.5
279.10001	0.7
282.08218	0.5
283.09616	0.5
291.10150	0.6
293.07870	1.1
295.09561	1.2
297.11163	1.1
299.09082	0.5
299.12686	0.6
300.08823	0.6
307.09521	0.7
309.11111	1.7
312.08908	2.0
325.10669	1.6
327.12308	2.3
329.13699	1.3
337.10452	1.5
339.12042	1.0
341.13660	0.8
351.12231	0.8
355.11673	6.3
357.13269	2.1
359.14725	1.5
369.13339	4.0
385.12778	2.2
387.14355	29.1
389.44638	0.6
399.14163	0.6
417.15201	3.4
547.18970	1.0
579.21698	1.7
718.46808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01870	5.5
55.05507	15.1
57.03433	12.0
57.07066	3.3
59.05000	4.7
61.02919	3.1
65.03922	2.2
65.10741	0.9
67.05499	100.0
69.03412	6.2
69.07063	18.1
70.49905	0.9
71.04986	6.4
71.08665	1.0
71.22513	2.6
73.02897	3.7
79.05045	1.8
79.05485	25.3
81.03412	8.7
81.07050	45.5
82.07404	1.2
83.04979	13.4
83.08617	11.5
84.07796	0.9
85.02902	7.8
85.06536	3.8
91.03941	2.0
91.05476	26.0
93.07040	28.9
95.04941	7.2
95.08597	21.8
97.02897	4.9
97.06525	7.8
97.10155	5.8
99.04446	1.3
99.08097	2.4
105.07029	16.3
107.04958	4.4
107.08589	18.7
109.02867	1.9
109.06522	3.6
109.10146	77.1
111.04425	3.7
111.08053	6.3
117.07023	7.3
119.08571	18.6
119.09343	1.7
120.08975	1.0
121.06528	2.5
121.10128	7.5
123.08087	1.8
123.11708	2.3
125.09611	6.7
127.03890	3.8
129.05537	1.4
129.06989	2.8
131.08560	11.1
133.10121	12.8
135.08058	3.3
135.11670	6.0
137.09557	5.1
141.01849	1.4
141.06993	1.3
143.08546	1.8
145.04904	1.3
145.06523	1.1
145.10133	8.5
146.99574	1.5
147.11678	6.4
149.09625	8.6
149.13208	5.5
151.11201	1.1
155.10677	2.5
157.10112	2.6
159.11707	7.1
161.13252	3.1
163.11197	5.2
169.10112	1.7
171.11722	2.4
173.04462	1.4
173.11745	18.9
173.13281	2.5
177.12669	2.5
179.14304	2.1
183.11751	1.7
184.07248	1.4
187.11252	1.3
187.14816	1.1
189.11180	3.1
195.13808	2.4
197.13240	1.4
216.37144	0.9
227.12775	10.7
229.14328	64.2
237.02762	1.5
239.17821	1.3
255.15829	4.9
257.18893	5.9
259.12213	3.0
269.17511	9.6
275.20023	19.2
319.99240	1.2
331.22757	1.2
335.02780	1.6
349.17072	2.2
349.23688	20.5
350.17389	1.4
367.17853	3.9
367.24820	2.2
368.18253	2.9
390.19739	1.5
399.23718	3.2
409.25851	18.5
413.21524	1.4
423.27383	59.0
447.27579	1.3
463.30536	1.5
503.33667	33.2
521.34839	6.5
531.29181	1.6
567.31738	2.1
718.42834	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.2
53.03941	7.2
55.01861	18.8
55.05504	40.5
56.02972	1.1
57.03175	1.5
57.03428	18.3
57.07064	2.1
59.04992	2.3
61.02906	2.5
65.03928	3.2
67.05494	54.4
69.03418	24.6
69.07056	19.1
71.01327	2.4
71.04971	11.2
71.08643	1.6
71.61342	1.7
71.62085	1.6
73.02908	3.4
79.05481	52.9
81.03407	100.0
81.07046	73.1
82.03745	1.4
83.04969	30.2
83.08609	28.1
85.02895	27.7
85.06524	4.0
91.05468	55.7
93.07034	37.0
95.04344	2.6
95.04955	46.2
95.05541	2.7
95.08592	24.0
97.02880	25.2
97.06528	13.7
97.10158	19.1
99.04434	7.3
99.08091	2.3
103.03934	2.1
103.05473	3.3
105.04520	1.3
105.07018	41.5
107.04929	18.3
107.08585	25.4
109.02864	17.0
109.06494	19.1
109.10149	14.6
111.04430	21.2
111.08071	15.8
113.06030	1.8
115.05441	5.3
117.06998	18.3
119.04940	3.1
119.08568	39.8
121.06488	14.7
121.10130	19.3
123.04440	5.3
123.08051	16.2
123.11697	4.0
125.06031	2.2
125.09613	14.5
127.03889	11.7
128.06233	4.8
129.05452	4.1
129.06987	19.1
131.04926	4.5
131.08565	24.7
133.06448	9.2
133.10129	18.7
135.04352	2.9
135.08047	13.2
135.11647	10.6
137.06056	1.8
137.09593	8.1
139.03885	2.6
139.07523	1.9
141.06993	5.0
142.07797	5.3
143.08548	11.4
145.06451	7.5
145.10115	18.7
147.04445	1.6
147.08028	15.3
147.11681	19.5
149.06013	3.4
149.09584	14.7
149.13290	1.6
151.07521	1.7
153.07069	1.4
153.09109	2.6
153.12749	8.3
154.89433	1.3
155.08499	7.2
157.06496	3.9
157.10103	19.9
159.08063	8.2
159.11707	7.0
161.06012	2.8
161.09610	15.3
161.13321	2.3
163.11145	19.9
165.09081	6.3
165.11494	1.3
165.12802	3.3
167.08577	2.9
169.06421	1.9
169.10127	5.3
171.08047	3.9
171.10405	1.5
171.11725	4.7
173.04488	3.2
173.05946	2.9
173.09578	9.0
173.13197	2.2
175.07487	2.3
175.11160	18.0
177.09074	2.1
177.12775	2.8
181.10152	3.2
181.12181	7.8
183.08099	2.8
183.11726	3.6
184.14227	1.3
185.09657	5.9
185.13232	2.1
187.11197	5.6
189.09210	2.5
189.11224	9.6
189.12640	3.0
191.10625	9.7
193.10400	2.1
193.12221	42.5
194.12469	1.8
195.08075	1.8
195.11635	3.1
197.09602	2.0
197.13251	2.4
199.11215	5.0
201.09073	1.4
201.12749	2.8
203.10603	2.3
205.12172	2.6
207.13768	1.4
209.09772	2.0
209.11574	2.4
209.13364	2.4
211.11311	2.9
211.13243	51.1
213.09196	2.2
213.12675	2.4
217.15874	1.5
219.13745	2.1
223.13260	1.8
227.12691	18.5
227.17952	1.7
229.12242	2.5
229.14291	2.4
231.13783	2.3
237.12683	1.6
243.13799	2.3
245.18869	2.7
247.13216	2.0
249.14920	5.5
255.17520	5.0
265.14548	1.7
267.15881	11.6
273.15350	3.2
273.18445	44.6
275.20099	3.9
283.15518	4.4
285.16879	18.8
286.17010	1.3
289.14252	1.8
289.17963	1.6
291.19492	40.8
297.18369	1.8
299.20074	1.7
301.14297	1.7
303.19632	1.7
309.20895	1.4
311.20074	2.2
313.18170	1.4
313.21521	1.9
315.19620	5.2
329.21213	5.4
337.16348	2.7
347.22195	21.1
351.19604	1.4
353.20996	2.4
355.17490	4.3
363.19418	3.1
365.23602	9.3
371.22318	1.8
381.20523	11.0
383.21945	1.4
389.23010	2.0
393.19376	2.3
399.21698	6.5
401.23233	1.8
407.24210	1.4
411.20197	7.0
417.22873	4.7
429.21085	7.0
435.24231	1.9
455.24875	3.9
465.29730	1.8
473.25290	2.7
483.31082	1.9
539.33527	11.0
549.24738	2.7
557.34631	39.8
558.35193	2.1
573.32935	1.9
575.35815	12.8
591.34845	1.5
593.35809	1.5
599.35828	3.0
609.34406	1.5
617.35706	1.6
641.36487	2.8
647.35449	3.0
653.36700	4.7
665.36615	14.5
671.38257	3.6
683.37634	19.1
701.38843	22.7
702.39911	1.6
719.39984	55.2
720.40155	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	719.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01863	4.0
55.05258	2.4
55.05506	21.8
57.03429	9.6
57.07068	4.1
61.02918	8.1
65.03922	2.3
67.05498	53.9
68.08249	1.2
69.03426	5.0
69.07065	17.3
70.67978	1.2
71.04968	3.5
73.02896	2.1
73.06567	1.6
77.03918	1.5
79.05483	63.3
81.03415	9.2
81.07050	50.5
83.04975	10.6
83.08624	9.7
85.02912	8.5
85.06524	3.3
88.81661	1.2
91.03960	3.2
91.05469	63.8
92.90747	1.5
93.07034	60.3
95.04957	16.0
95.08598	34.7
95.09207	1.4
97.02872	6.2
97.06534	5.3
97.10159	4.5
99.08068	3.2
103.71143	1.2
105.07016	59.0
107.04952	6.3
107.08579	27.9
107.09276	2.1
109.06519	6.4
109.10150	12.4
111.08065	3.3
115.05435	1.8
117.06999	16.4
119.08572	40.9
121.06480	2.3
121.10127	16.5
123.08047	4.0
123.11709	2.6
125.09583	2.0
128.06213	3.6
129.06984	22.5
131.08542	26.4
133.10114	28.7
135.08057	1.6
135.11659	11.0
139.11078	1.6
141.06958	5.2
142.07777	2.0
143.08557	17.6
145.06441	2.4
145.10118	22.1
147.08012	3.2
147.11673	44.4
149.09601	1.8
149.13193	6.0
151.11176	1.4
155.08519	9.6
156.09372	2.2
157.10112	15.0
159.11667	15.7
161.09612	4.4
161.13242	26.4
163.11235	2.2
163.14796	1.5
167.08548	2.7
167.24019	1.2
168.09377	1.7
169.10117	10.9
171.11685	33.3
173.13214	12.8
175.14804	8.4
177.12717	2.4
179.08533	1.8
180.09235	1.4
181.10153	8.2
181.11702	1.2
183.11673	10.4
185.13234	10.1
187.11169	3.8
187.14790	5.0
189.12688	7.4
191.14383	1.6
193.10120	2.2
195.11752	8.8
197.13220	8.5
199.14751	6.6
207.11790	2.7
207.13728	14.2
209.13271	6.6
211.14778	3.9
213.16449	2.7
215.04634	1.4
219.17505	1.3
220.19093	1.6
221.13203	2.2
223.14841	4.4
225.16440	1.9
231.21115	5.2
235.14839	3.1
237.16379	3.0
239.17938	1.9
241.14333	1.6
241.19487	21.3
249.16347	1.7
251.17932	1.9
257.18921	3.1
259.20563	35.0
261.16367	1.8
261.22031	1.4
263.17981	1.5
275.20047	3.9
279.15805	10.9
281.17426	42.9
295.20560	2.0
297.21964	1.6
299.23596	1.8
315.23056	5.3
321.21893	2.6
323.23648	3.4
325.21582	1.6
327.23361	1.3
330.89941	1.9
333.24197	28.8
337.21359	2.7
349.21490	1.7
419.32477	1.7
429.31433	4.0
437.33887	7.3
447.32590	15.4
465.33740	12.4
483.34943	10.9
501.35422	1.8
511.37381	1.7
521.36285	5.3
529.39172	6.8
539.37250	100.0
540.37677	3.5
557.38330	50.7
647.38977	2.7
701.42407	12.7
719.43567	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	720.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.88652	0.3
65.03393	0.3
65.03929	5.0
67.05483	1.0
68.19977	0.4
69.03428	0.5
75.04469	0.6
79.05475	1.4
81.03387	0.6
81.07035	0.5
82.04175	0.8
85.02882	1.6
91.05473	2.0
93.03384	2.4
93.07037	1.2
95.01317	0.6
95.04975	2.1
97.06513	0.9
103.05437	1.4
105.06997	0.6
106.04160	2.9
107.04942	3.7
110.03648	5.5
111.04427	8.6
117.07002	0.6
119.04916	0.4
121.02856	5.0
121.06491	3.7
123.04443	0.8
123.07999	0.8
125.05978	8.7
129.06979	0.8
131.04926	1.5
131.08499	0.6
132.05713	0.6
133.06454	0.4
135.04424	1.1
135.08011	0.8
137.05939	3.1
138.03072	0.7
139.03876	2.0
140.04344	0.4
145.06465	1.1
147.04388	0.9
147.08018	0.8
148.05159	0.4
149.02335	1.8
149.05965	6.7
151.02109	0.6
151.03889	0.7
151.07526	1.7
153.05450	17.4
153.09084	2.2
157.06488	1.1
159.08049	0.9
161.05971	1.5
161.09634	1.1
162.01329	1.3
162.06606	0.4
163.03886	2.0
163.07523	1.5
165.06993	0.9
166.06348	0.5
167.07039	6.0
167.08432	0.8
171.08101	0.4
173.05971	0.6
174.06729	1.0
175.03952	0.4
175.07538	1.4
177.05437	5.5
177.06839	0.5
177.09113	0.4
179.01575	0.6
181.04907	1.7
181.06357	0.7
181.08560	5.4
182.07211	0.8
184.05164	0.6
187.07527	0.6
188.08392	0.5
189.09088	3.1
190.00851	0.8
191.07025	1.7
191.08536	0.5
192.07788	0.8
193.10208	0.5
194.07274	0.6
195.06471	0.7
195.08081	1.5
197.09581	1.2
198.06589	0.5
199.07422	0.5
205.08641	0.4
206.07085	0.4
207.08214	0.5
208.01826	0.8
208.04996	0.4
209.08060	30.3
210.06696	1.0
210.08449	0.6
211.07553	1.3
211.16846	0.5
212.08247	0.8
213.09064	0.8
217.08556	0.4
219.08131	0.5
219.10097	0.9
220.08727	0.5
221.09608	1.3
222.06711	0.5
222.10367	1.0
223.04208	16.1
223.07370	2.0
224.08322	0.9
225.09105	2.2
227.07031	1.3
227.10568	0.9
229.75394	0.4
234.06776	1.0
235.07527	1.0
236.08150	0.7
237.09018	2.3
238.06223	1.7
238.09920	2.3
239.06975	1.7
239.10638	1.3
240.07796	5.9
241.08623	0.6
249.05722	0.4
249.09132	1.7
249.11327	0.8
251.06956	1.7
251.10614	1.1
252.07799	1.9
253.08566	11.8
253.12213	4.7
254.09312	1.7
255.06522	1.5
255.10132	3.4
257.08118	1.2
257.11536	0.4
263.07022	0.6
265.08539	0.9
266.05957	0.6
266.09363	2.1
267.06528	1.4
267.09991	2.5
268.07281	2.3
268.10016	0.4
269.08127	2.2
270.08841	2.5
270.12146	0.9
271.13284	1.4
277.08426	1.0
278.09366	0.6
279.06662	0.5
279.09952	0.7
281.08051	3.5
281.11667	4.3
282.08813	1.4
283.09598	6.2
283.12842	0.5
284.10410	1.9
285.08273	0.7
285.11176	3.3
285.14764	1.7
293.07910	0.6
294.08813	0.7
295.09631	2.5
296.10376	1.2
297.11093	1.3
298.08713	0.6
298.11755	1.8
299.09552	0.7
299.12704	5.5
300.09204	0.5
303.15744	0.8
309.11111	5.6
310.11957	2.0
311.12775	1.1
312.08984	3.0
313.10657	8.7
313.14297	4.1
315.12402	0.6
326.11530	0.7
327.12231	21.0
328.12714	2.0
329.13708	3.2
330.10168	0.6
331.15414	2.8
339.12192	1.6
341.13788	3.5
343.15378	1.3
345.16998	0.5
357.13251	2.0
359.14832	100.0
360.15155	3.3
361.16345	3.9
371.14886	6.4
389.15887	4.8
669.65051	0.4
719.47101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03930	1.7
55.01857	1.3
55.05260	0.4
55.05507	6.6
57.03431	4.9
58.50418	0.3
61.02907	0.6
65.03923	1.0
67.05496	19.0
69.03413	2.3
69.07053	4.6
69.49675	0.6
69.50077	2.8
71.04979	1.6
71.58896	0.4
73.02895	0.6
73.06538	0.9
79.05483	27.5
80.05829	0.4
81.03409	35.1
81.07048	16.5
82.03745	0.4
83.04969	8.5
83.08606	9.7
85.02903	1.8
85.06541	1.0
91.05470	24.1
93.07034	25.1
95.04957	17.0
95.08599	9.2
97.02860	2.3
97.06525	2.4
97.10161	2.5
99.08096	0.4
101.06004	0.4
105.07018	16.9
105.92763	0.3
107.04938	4.1
107.08585	8.4
109.02893	0.7
109.06499	3.5
109.10120	2.5
111.04417	1.5
111.08074	3.8
115.05431	0.8
117.06995	3.2
119.08566	13.4
121.06525	1.8
121.10123	3.7
123.04418	0.8
123.08083	2.4
125.09619	0.8
127.03894	0.4
127.07558	0.5
128.06223	1.0
129.06996	9.1
131.08563	3.6
133.06519	1.3
133.10130	5.3
135.08015	0.7
135.11659	1.0
137.09639	0.9
139.03941	0.3
141.01743	0.4
141.06952	0.6
141.09059	0.4
142.07767	1.4
143.08531	4.4
145.06442	0.8
145.10098	4.8
147.08009	2.5
147.11671	17.5
149.09573	2.3
157.06470	0.5
157.10107	4.6
159.11653	0.8
161.09607	1.8
161.13252	3.9
163.11188	1.2
165.09064	0.5
165.12764	0.8
169.10088	0.5
171.11659	9.9
173.04362	0.4
175.11160	4.1
177.51894	0.4
179.14348	0.5
184.07243	0.6
189.12729	3.8
193.12204	9.1
207.13774	8.7
211.13307	1.0
225.14778	0.5
237.02792	0.5
249.14801	0.9
259.13126	0.4
267.15887	31.7
268.16193	1.0
279.04147	0.4
281.17444	34.7
282.17841	0.8
349.16235	0.4
381.24280	0.5
399.25415	0.4
417.25787	0.5
421.26068	0.5
447.27274	1.1
455.27664	0.4
473.28958	100.0
474.29346	3.1
491.30002	2.8
515.30048	1.8
581.20123	0.4
581.30542	0.8
643.14960	0.4
720.40540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.96545	2.1
57.03422	0.7
58.99846	1.3
65.03915	0.7
66.14715	0.6
67.75623	0.5
69.03422	2.6
69.31750	4.1
69.32175	1.9
71.04964	0.7
73.02909	1.0
77.00897	1.0
81.03391	1.1
82.99887	1.5
84.96019	0.7
85.02901	5.4
89.03904	0.7
91.05481	4.1
91.05967	0.8
95.01928	0.9
97.02869	2.6
98.20756	0.9
98.97556	2.1
101.00844	3.8
105.00307	0.8
109.02870	2.1
113.00846	1.2
115.02396	1.3
116.98599	2.8
117.03365	1.1
119.01906	25.1
119.04927	11.1
120.02001	0.7
121.01658	1.4
127.03904	3.8
128.98544	1.5
129.00299	1.0
131.00127	0.7
131.01884	11.4
133.03423	2.5
133.06459	1.7
134.99634	1.4
135.04420	3.0
137.02925	6.5
139.02531	1.2
139.03838	0.8
143.01875	15.2
143.03668	0.6
145.01656	1.3
145.03436	9.3
145.04942	1.6
146.99619	1.6
147.01378	4.9
147.04384	100.0
148.04703	2.1
149.01172	1.4
149.02921	3.5
154.03435	0.5
155.01866	12.0
157.03433	6.2
158.97433	0.6
158.99605	1.8
159.01471	0.7
161.01433	1.0
161.02939	29.2
162.03023	0.8
163.02657	0.9
163.03819	18.2
164.04225	2.2
167.01880	4.5
169.03450	2.2
170.99715	1.2
171.01369	2.2
171.04993	2.3
173.02945	25.3
174.03026	1.5
175.00816	1.0
175.02859	0.9
175.04494	2.5
176.02602	0.6
177.00690	3.3
177.02307	1.3
177.05403	2.2
179.01921	1.6
179.05455	0.6
181.03421	1.5
183.01314	0.8
184.04503	2.0
185.02937	33.5
186.03056	1.2
187.02669	2.7
187.04486	4.9
189.00664	1.8
189.02396	1.9
189.04048	0.7
189.05991	0.7
191.02332	0.6
191.03987	3.2
196.02419	0.6
196.04536	2.2
197.02936	12.5
197.06569	2.1
199.02766	1.3
199.04466	1.6
200.04341	0.6
201.00662	1.4
201.02414	2.8
203.02049	0.7
203.03967	13.9
204.04214	0.7
205.01752	1.0
205.03465	7.0
207.05122	0.8
208.04622	2.7
209.02925	1.5
211.02776	0.7
211.04536	1.2
213.02449	1.2
213.04225	0.6
215.02065	0.7
215.03999	9.7
217.01807	0.7
217.03670	1.2
217.05598	0.9
219.01691	2.7
219.03445	1.1
219.05197	0.8
221.02945	2.1
221.05066	5.3
223.02722	1.7
223.04535	14.0
225.05995	0.6
227.03940	7.0
229.03401	5.0
231.03416	1.0
231.05290	0.8
233.01224	1.3
234.99054	1.3
235.04779	1.0
237.02736	3.5
237.06064	2.6
239.03973	2.1
239.06087	0.7
241.03535	2.1
241.05609	10.0
243.01631	0.8
243.05060	1.7
245.05032	62.0
246.05200	4.0
247.04527	38.7
247.08170	0.8
248.04794	0.7
251.02391	1.7
257.05054	4.0
259.04630	10.8
260.04581	0.7
261.02615	3.1
261.06073	7.0
263.03915	1.0
263.06149	9.3
264.06949	0.8
265.05573	34.3
266.05704	0.9
269.02908	1.5
270.06049	1.9
271.04358	1.2
272.06458	0.7
273.06039	2.5
275.02127	4.7
275.06073	6.6
277.00528	0.8
277.03995	3.2
279.03754	2.6
279.07135	4.0
280.04520	0.8
281.04611	1.4
281.07141	1.9
282.06030	0.6
283.06662	7.9
285.04352	3.5
286.07761	0.7
286.99225	0.7
287.04047	12.1
288.04242	0.8
288.07022	3.0
289.05399	3.6
291.03738	1.2
291.07028	3.3
293.03564	2.3
293.07181	2.8
295.06671	2.0
297.04477	1.2
298.04617	1.1
298.08060	1.8
299.03741	1.0
301.05588	2.6
303.05774	1.9
305.07388	7.3
307.06717	7.8
310.05612	1.1
313.05807	0.8
315.03546	1.8
317.04541	1.4
319.06323	2.2
323.05927	2.0
325.07611	1.7
329.04968	1.6
331.06458	1.3
333.04514	0.7
335.04523	1.2
335.08636	3.6
337.07504	1.4
347.05960	2.2
349.07758	9.3
351.05743	0.9
353.06955	1.1
359.04504	4.5
361.03876	11.4
362.09567	2.3
362.59943	1.5
363.09882	0.8
365.09381	7.5
367.08749	12.0
377.05606	6.2
379.05301	4.8
379.10269	1.9
383.10089	1.0
384.05383	1.2
385.09784	0.8
389.07150	3.3
391.08765	1.7
393.06555	0.8
395.06744	3.6
397.06000	11.4
403.04941	5.8
405.06732	2.6
409.09875	0.9
419.08060	1.0
420.07755	1.3
421.05981	19.3
422.06339	1.3
423.07706	1.2
431.08234	12.2
433.05994	2.7
437.08942	1.8
438.09277	1.7
439.07248	16.1
440.07700	0.9
444.07883	1.0
449.09155	5.7
451.07178	8.5
455.10504	0.7
457.08035	3.5
463.07471	1.6
467.09775	0.8
469.08658	2.7
480.10318	0.8
481.08380	5.5
499.09265	3.6
500.69943	0.7
505.08295	7.5
511.11743	1.0
523.09308	19.2
524.09070	0.8
529.13885	8.6
539.10956	2.6
541.10425	12.4
542.10602	0.8
557.12073	2.6
559.11414	6.2
561.10077	0.7
611.14209	1.3
614.44159	0.7
644.82678	0.6
661.16364	0.9
685.14355	5.8
703.15637	8.1
721.16730	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01865	15.5
55.05504	38.0
57.03183	1.5
57.03430	19.0
57.07075	1.7
59.04982	2.2
61.02904	5.3
61.85926	1.3
65.03929	5.6
67.05495	74.0
69.03420	30.3
69.06715	1.8
69.07059	28.6
71.04981	15.8
71.63333	1.6
71.63749	1.4
73.02901	2.5
74.68778	1.3
77.03934	1.5
79.05481	65.9
80.31094	1.1
81.03407	100.0
81.07044	86.0
83.04969	30.2
83.08603	30.4
85.02892	23.0
85.06518	5.0
87.04424	1.7
91.03951	1.7
91.05468	75.6
93.07027	60.3
93.07622	2.9
95.04959	33.9
95.08590	41.5
97.02264	2.3
97.02874	24.7
97.06519	24.3
97.10151	12.6
99.04427	9.5
99.08061	3.4
103.05463	2.8
105.07016	62.3
107.04942	20.5
107.08574	39.5
109.02863	17.3
109.06496	16.8
109.10135	25.1
111.04432	11.4
111.08051	11.3
113.06030	3.2
115.05459	6.7
116.06172	1.6
117.06995	24.6
119.04938	2.8
119.08564	47.9
121.06468	10.4
121.10123	23.0
123.04428	3.6
123.08060	11.1
123.11672	7.4
125.05986	1.7
125.09614	10.6
127.03906	16.4
128.06189	4.2
129.05452	5.2
129.06995	18.4
130.07756	1.6
131.04875	1.7
131.08546	37.8
133.06477	6.7
133.10112	31.9
135.08025	9.3
135.11668	11.7
137.06009	3.2
137.09589	6.4
138.55237	1.6
138.65854	1.5
139.07526	1.3
141.06947	5.0
142.07771	3.7
143.08539	13.9
145.06465	6.0
145.10095	26.5
147.04381	1.7
147.08109	8.4
147.11664	27.9
149.05978	2.6
149.09599	19.1
149.13228	5.5
151.07468	1.3
151.11177	3.6
153.06923	1.7
153.12711	4.0
154.07796	1.4
155.08504	6.9
156.94370	1.4
157.06470	2.8
157.10104	20.6
159.08057	4.6
159.11664	16.4
159.64970	1.3
161.05901	1.2
161.09589	5.4
161.13228	6.5
163.11171	13.8
163.14748	1.4
165.09108	2.4
165.12753	6.0
167.08612	3.1
168.09241	1.3
169.10083	9.1
171.07971	3.4
171.11630	10.3
173.04448	18.7
173.05846	2.4
173.09604	4.6
173.11813	2.8
173.13187	7.7
175.11157	14.8
175.14716	2.6
177.02629	1.3
177.12762	4.1
179.08508	1.4
181.10118	4.5
181.12251	3.6
183.08029	1.5
183.11649	6.1
185.09567	2.5
185.13217	4.8
187.11172	7.0
187.14848	3.0
189.11218	5.9
191.10677	5.0
191.14256	2.0
193.10364	2.7
193.12218	31.6
195.11693	2.5
195.13745	2.0
197.09608	1.5
197.13239	4.6
199.05910	1.7
199.11157	2.4
199.14813	2.7
201.12651	2.4
205.12239	1.6
207.11729	2.2
209.13295	2.1
211.11404	2.2
211.13237	43.7
213.12801	2.1
213.14868	1.4
215.17938	1.9
217.15790	2.5
219.13811	2.4
225.12733	1.4
227.12691	13.7
229.14259	6.0
229.19447	3.3
233.13206	1.5
239.17987	4.8
247.20520	5.0
257.19009	12.2
259.20764	2.3
260.04840	1.3
267.15869	22.5
269.17352	2.1
273.14996	1.5
273.18484	4.8
275.20029	64.5
283.15463	4.2
285.16959	19.9
291.19556	5.5
291.40457	1.4
293.21069	5.9
295.20383	2.6
299.19882	1.8
308.70038	1.4
313.21552	3.4
317.21161	1.9
331.22549	3.4
337.16150	1.5
337.21591	1.5
339.18365	1.7
347.22449	2.2
349.23691	35.7
355.17563	2.1
367.24854	2.6
373.23798	1.7
387.25937	1.4
391.24890	1.4
401.23254	2.6
411.20020	2.7
419.23959	3.0
429.21179	10.5
431.28638	2.0
433.25821	3.7
447.27405	2.3
449.30411	2.9
457.25644	1.8
461.29013	5.1
467.31509	4.8
475.26950	2.4
479.29950	2.5
485.32520	2.1
493.28006	3.4
501.32294	1.9
513.35150	1.6
523.34009	5.9
531.36963	2.5
541.35211	49.4
557.35278	2.5
559.36224	44.5
560.36444	2.9
577.37018	3.5
583.36273	2.1
601.37299	1.7
623.33392	5.5
643.37317	2.1
667.38104	3.0
685.39038	5.8
703.40405	25.0
721.41406	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	721.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.6
55.01612	2.0
55.01865	25.1
55.05507	23.8
57.03429	10.7
57.07059	1.7
59.04970	1.1
61.02929	2.4
65.03919	2.8
67.05498	44.5
69.03421	18.8
69.07063	32.2
69.90640	2.6
69.91064	4.5
71.01337	1.9
71.04980	9.1
73.02905	2.6
77.03942	1.2
79.05483	42.9
81.03409	81.2
81.07047	64.3
82.07373	1.2
82.95348	1.0
83.04975	26.7
83.08606	20.4
85.02895	15.8
85.06529	3.4
87.89915	1.0
91.03951	1.4
91.05470	62.2
93.07034	40.7
95.01318	7.1
95.04958	27.8
95.08594	29.8
97.02877	20.3
97.06519	45.1
97.10159	6.7
98.21280	2.6
99.04443	3.1
99.08078	2.4
103.05502	2.5
105.07018	82.9
107.04948	20.5
107.08576	22.3
109.02884	6.8
109.06522	7.0
109.10137	13.4
111.04436	8.4
111.08060	7.7
113.05997	1.1
115.05457	3.7
117.07000	14.6
119.04964	2.1
119.08569	44.1
120.39345	1.1
121.05704	1.2
121.06468	6.0
121.10125	15.5
123.04433	4.1
123.08044	6.8
123.11674	2.9
125.09610	4.9
127.03909	9.0
127.07567	1.7
128.06171	1.3
129.05469	3.3
129.06992	8.4
131.08553	27.6
133.06505	5.3
133.10115	42.5
135.08093	5.8
135.11674	9.0
137.09619	4.9
139.07533	3.4
141.06993	2.8
142.07776	4.2
143.08545	4.7
145.06502	2.3
145.10107	19.6
145.23776	1.1
147.08037	3.9
147.11674	22.7
149.09608	14.0
149.13275	3.3
151.11185	2.5
152.66083	1.1
153.12740	1.4
155.08534	2.9
157.10101	12.7
159.07936	1.5
159.11671	12.2
161.09578	2.6
161.13245	5.2
163.11131	6.8
165.09114	2.6
165.12778	3.9
169.10117	3.4
171.11685	4.5
173.04475	3.3
173.09641	2.3
173.13264	4.4
175.11198	10.8
175.14830	1.8
177.12776	2.4
179.14305	13.5
181.10126	1.4
181.12184	2.0
183.11699	3.9
185.13191	2.4
187.11205	4.8
189.11220	1.2
193.12212	29.4
195.13756	1.5
197.13269	3.1
205.12338	1.1
211.13251	34.6
211.15198	2.1
215.18069	1.2
227.12805	4.0
229.14253	2.8
229.19458	1.4
239.18002	3.2
241.14221	1.3
247.20549	3.0
249.14905	3.7
257.18912	7.6
267.15900	35.6
273.18393	1.8
275.20038	100.0
276.20358	2.4
279.15887	2.2
283.15326	2.0
285.16904	9.6
293.21072	7.5
313.21280	1.2
337.16309	2.7
349.23709	53.6
355.17590	2.0
411.20081	5.1
413.17725	2.8
429.21170	46.4
430.21649	1.5
461.28940	2.0
467.31406	1.3
541.35205	76.8
542.35370	3.5
559.36127	25.1
649.37219	1.5
667.37939	1.5
685.39001	2.6
703.40399	61.5
704.40186	1.8
721.37476	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	721.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90840	1.9
53.03945	11.0
53.49363	1.8
54.69446	1.9
55.01866	25.3
55.05502	24.2
55.67473	1.8
56.37294	1.6
57.03431	8.1
58.90031	1.8
67.05495	54.9
69.03424	14.1
69.07064	34.4
70.85741	4.2
71.04981	7.6
73.02918	2.6
79.05484	45.7
81.03412	59.2
81.06569	3.9
81.07047	75.8
83.04979	24.7
83.08611	20.1
85.02918	15.9
85.06540	2.7
91.05473	72.3
93.07034	44.3
95.01311	7.3
95.04964	33.6
95.08591	31.9
97.02880	17.6
97.06525	45.7
97.10153	8.1
98.20789	2.1
99.04443	3.3
99.08076	3.9
103.05421	2.2
105.07021	85.1
107.04951	23.0
107.08588	23.1
107.31696	1.8
109.02869	8.7
109.06516	12.6
109.10155	11.9
110.10435	2.0
111.04449	5.8
111.08093	9.5
115.05424	3.3
117.07018	17.6
119.04991	2.3
119.08567	49.4
121.06509	7.0
121.10143	13.1
122.94096	2.1
123.04413	3.7
123.08066	7.1
123.11707	2.4
125.09641	4.4
127.03909	9.2
128.06230	2.9
129.05490	3.7
129.07010	11.5
131.08566	27.7
133.06458	5.0
133.10109	43.8
135.08058	3.2
135.11670	11.0
137.06003	2.1
137.09595	4.9
139.07527	3.6
141.06926	4.5
142.07791	2.1
143.08545	7.4
145.06407	3.7
145.10110	17.8
147.08096	4.1
147.11671	23.2
149.09608	13.4
149.13197	3.5
151.11150	4.7
153.12759	2.3
155.08565	3.2
157.10077	11.2
159.07986	3.1
159.11658	14.5
161.09625	2.5
161.13255	6.8
163.11180	5.9
165.09103	3.3
169.10066	4.1
171.11739	3.6
173.04376	4.6
173.09735	2.6
173.13277	5.8
175.11197	11.1
177.12701	5.0
179.14272	12.2
183.11653	4.3
187.11127	2.7
191.10701	2.6
193.12228	17.7
195.13712	2.1
197.13272	3.9
211.13232	22.0
215.17812	2.1
217.15573	2.0
219.17471	2.6
227.12689	4.0
229.19504	2.3
239.17973	2.5
241.14378	2.5
247.20607	2.8
257.18954	7.5
267.15848	17.2
275.20035	100.0
279.15924	2.5
285.16928	8.0
291.19504	4.1
293.21069	7.1
349.23682	46.6
355.17542	3.3
411.20053	7.3
429.21207	23.0
449.30219	2.1
523.32861	2.7
541.35175	63.9
559.36261	36.5
578.96729	2.4
685.39154	3.7
686.72687	2.3
703.40363	72.0
721.38208	11.4
724.78888	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	721.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01861	5.5
55.05503	24.6
57.03428	12.3
57.07053	4.9
61.02913	4.7
65.03922	3.4
67.05495	75.5
69.03420	15.5
69.07068	20.6
71.01342	2.8
71.04987	26.5
71.63877	2.2
71.64246	2.6
73.02879	2.8
77.03896	2.1
79.05057	2.4
79.05486	48.9
81.03405	31.7
81.07050	100.0
81.60590	1.6
83.04977	10.7
83.08608	15.1
85.02885	10.0
85.06514	7.8
87.04478	2.1
91.03931	2.0
91.04879	2.5
91.05466	45.4
93.06461	3.2
93.07036	52.0
95.04942	13.2
95.08595	35.5
97.02873	11.3
97.06519	10.8
97.10144	7.2
99.04407	5.2
99.08043	2.5
105.07017	47.4
107.04928	4.5
107.08577	34.6
109.02848	5.7
109.06513	6.9
109.10144	21.0
111.04415	3.6
111.08087	4.1
115.05454	3.2
117.06995	17.5
119.07779	3.1
119.08576	39.0
121.06487	5.6
121.10141	20.9
123.08038	4.0
123.11681	12.5
125.09595	4.5
127.03865	4.7
128.06212	3.4
129.05444	5.0
129.06976	14.3
131.08554	32.2
133.06445	3.9
133.10118	32.9
135.08017	4.4
135.11653	15.4
137.09595	4.5
139.11157	2.2
141.06972	4.3
142.07739	3.9
143.08553	14.8
145.06523	2.6
145.10094	25.6
147.08032	3.2
147.11664	24.1
149.09612	7.4
149.13264	9.0
151.11124	5.4
153.09093	2.0
154.07759	2.6
155.08542	8.6
156.09338	2.0
157.10095	14.8
159.11685	19.9
161.09608	4.2
161.13242	16.4
163.14824	3.0
165.12712	3.2
167.08559	3.8
169.10123	8.1
171.08043	1.9
171.11633	11.9
173.04416	11.8
173.13281	12.1
175.11127	5.3
175.14775	6.7
177.12680	4.2
179.08487	2.0
181.10109	5.5
182.96744	1.8
183.11665	8.4
184.07312	3.5
185.09543	2.6
185.13176	8.9
187.13217	5.9
187.14803	5.9
189.16351	3.3
193.10172	2.7
193.12169	5.3
195.11662	5.6
197.13228	4.8
199.11043	2.1
199.14774	5.0
201.16449	3.0
203.17969	2.5
205.15956	2.2
207.11583	2.6
209.13219	3.1
211.13074	2.5
211.14839	3.3
213.12665	3.1
223.11147	2.0
223.14919	3.1
225.14708	2.8
227.16238	2.4
229.19632	2.4
231.13834	2.0
237.16515	2.0
241.19464	5.4
243.15930	7.9
254.53233	2.4
257.17178	2.8
259.20663	10.3
261.22107	2.6
267.15848	3.3
269.17508	5.7
271.20563	3.5
273.18427	4.4
275.20102	8.7
285.17041	2.2
291.19431	5.3
301.20261	2.1
315.23102	4.3
327.23285	2.7
333.24210	8.9
335.25797	3.9
339.18414	2.1
339.23154	2.4
367.22812	3.7
385.23987	2.5
393.31558	2.6
411.32449	2.4
413.21515	4.4
423.24924	2.6
445.24304	3.6
453.33496	2.2
475.40585	2.0
484.84921	6.2
485.35953	4.9
501.35736	24.2
503.37228	48.7
505.36139	3.6
505.86148	2.2
509.36050	3.1
513.35724	2.6
514.34857	3.1
527.37329	39.9
541.35095	7.3
559.39172	7.7
623.42889	4.4
635.38751	4.0
653.39600	5.9
667.41479	5.8
671.41290	7.9
685.42908	4.1
689.42120	14.1
703.41925	8.6
721.44629	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	721.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01857	2.6
55.05247	2.0
55.05503	19.2
57.03422	9.7
57.07060	1.5
61.84472	1.3
65.03947	2.3
67.05495	58.8
69.03415	1.8
69.07059	12.3
70.88190	3.3
71.04993	1.9
73.06559	2.0
79.05482	63.3
81.03407	7.1
81.07047	53.0
83.04966	10.4
83.08608	8.0
85.06516	3.0
91.05470	46.4
93.07033	70.4
95.04958	18.7
95.08595	40.8
97.06524	3.9
97.10154	3.7
98.21056	1.7
99.08093	1.5
105.07021	36.3
107.04929	5.6
107.08578	24.5
109.06519	4.7
109.10143	12.2
111.08117	1.6
115.05461	1.4
117.06988	8.4
119.08559	22.0
121.06523	2.6
121.10123	12.3
123.08057	4.9
123.11654	2.4
128.06200	2.0
129.06979	12.0
131.08562	5.8
133.10109	13.0
135.11661	6.9
138.65181	1.0
143.08568	6.6
145.10135	10.8
147.07967	1.7
147.11667	33.7
149.13275	2.8
159.11687	5.0
161.09628	2.5
161.13246	10.8
171.11670	20.6
173.13162	2.8
175.14868	1.6
184.07288	1.6
189.12720	9.6
199.49893	1.2
207.13782	21.8
225.14948	1.5
243.21059	1.5
257.79135	1.2
261.22043	5.4
279.15991	3.5
281.17438	59.0
282.17883	1.8
317.24789	1.7
335.25763	56.8
336.26126	1.7
541.38849	100.0
542.39020	6.1
559.39868	1.6
624.27972	2.7
721.49963	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	721.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82426	1.2
51.98974	1.4
53.03938	5.2
55.01878	1.9
55.05509	17.2
57.03442	8.1
57.03682	1.7
57.07069	2.5
59.96493	1.1
65.03935	3.9
67.05495	46.9
69.03434	2.3
69.07061	11.5
71.04977	2.2
71.62393	1.9
71.62801	1.8
77.03906	1.5
79.05482	53.3
81.03401	7.0
81.07046	48.5
83.04958	7.3
83.08628	7.2
85.06546	2.1
91.05469	38.5
93.07036	53.7
95.04966	14.3
95.08598	36.8
97.06540	4.1
97.10168	2.9
105.07011	30.4
107.04939	4.1
107.08572	19.4
109.06510	5.4
109.10139	10.0
111.08023	2.3
117.07005	7.3
119.08556	18.3
119.20845	1.2
121.06490	2.1
121.10131	11.7
123.08015	3.7
123.11729	2.2
125.00015	1.7
129.06950	7.8
131.08554	7.0
133.10107	10.3
135.11703	6.0
143.08553	5.4
145.10104	8.7
147.11667	20.8
149.09671	1.5
149.13277	3.8
159.11694	5.2
161.09598	2.4
161.13205	6.8
171.11656	13.0
173.13281	1.8
184.07332	3.1
187.14883	1.7
189.12779	5.0
207.13786	15.3
221.04436	1.5
225.15015	2.0
243.21147	1.8
261.22092	4.4
275.20200	2.0
279.16013	2.2
281.17413	32.1
317.24893	2.0
335.25766	50.7
389.28104	1.5
541.38855	100.0
542.39136	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42149	2.6
53.03936	8.0
55.05503	21.6
57.03426	11.2
61.70829	2.6
67.05157	4.8
67.05498	65.8
67.53746	2.9
69.07056	17.8
70.29467	5.6
70.29889	10.4
75.14087	2.9
79.05049	5.1
79.05485	75.1
80.83963	2.8
81.03413	7.5
81.07050	62.4
83.04972	9.9
83.08604	12.7
91.05469	55.6
93.07031	73.2
95.04966	18.9
95.08603	41.5
95.11113	2.5
97.02943	3.0
97.06495	7.8
97.10203	3.8
98.20778	4.1
105.07011	36.9
107.04946	6.6
107.08586	26.4
109.06534	8.1
109.10130	10.7
111.08033	3.9
117.06996	14.5
119.08566	30.9
121.10139	13.5
123.08078	8.0
129.06969	14.9
131.08557	13.6
133.10115	13.0
135.11656	6.0
138.17650	2.8
143.08556	12.6
145.10095	9.9
147.08078	3.6
147.11678	36.0
159.11728	5.0
161.13246	8.7
163.11113	3.2
169.10136	3.4
171.11674	20.2
184.07344	11.9
188.72867	3.1
189.11186	3.9
189.12657	7.3
207.13799	29.1
226.21700	2.7
261.22192	4.0
275.19833	3.1
281.17444	68.1
335.25757	57.5
343.77539	3.4
476.31094	3.5
541.38861	100.0
609.44305	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	723.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.0
55.05492	1.1
57.03438	4.9
59.04982	0.8
61.02914	0.9
65.03933	1.9
67.05489	1.9
68.99779	5.6
69.03423	14.1
69.35435	7.5
70.06588	0.8
71.04986	23.0
73.02896	1.2
75.04459	1.6
79.05487	4.2
81.03408	2.2
81.07053	0.8
83.04965	3.1
85.02895	34.1
87.04463	1.0
91.05471	2.3
93.03400	5.5
93.07032	1.8
95.04950	4.4
97.02901	1.6
97.06493	1.5
99.04421	2.2
103.05472	2.0
105.06953	1.2
107.04942	6.8
109.02857	2.5
109.06511	1.3
111.00777	1.2
111.04443	12.6
117.07018	1.1
119.04951	1.1
119.08595	1.1
121.02858	2.4
121.06460	6.0
123.04416	3.5
125.05994	1.7
127.03915	2.6
127.56852	0.7
129.05460	5.6
129.06947	0.8
131.04895	1.9
133.06480	2.4
135.04402	38.5
137.02272	1.1
137.05916	1.2
139.03886	81.0
141.01761	0.9
145.06494	1.6
147.04373	2.5
147.06531	0.9
147.08025	1.3
149.05969	6.1
151.03893	21.3
151.69937	0.7
153.01817	29.6
153.05440	1.1
157.06436	1.6
159.04387	1.8
161.06032	4.3
163.03893	61.4
165.01810	2.3
165.05466	3.3
167.03297	0.7
171.02876	1.0
171.04369	1.5
173.05916	0.8
175.03987	2.2
175.07524	2.4
176.04713	3.1
177.05444	19.7
179.03368	6.6
179.07047	1.6
181.04939	70.6
183.02884	1.6
183.04329	0.9
185.05919	4.4
187.03862	1.3
189.05444	14.3
191.03346	2.3
193.04974	3.0
195.02847	2.0
199.03880	4.1
200.04678	2.1
201.05467	3.4
203.07011	7.2
205.04941	95.3
207.02890	4.7
207.06458	1.8
211.03889	1.1
213.05469	3.5
215.03348	3.9
217.04990	2.4
225.05479	1.8
227.03452	3.1
228.04184	2.0
229.04964	7.4
231.02817	2.3
231.06500	34.4
233.04309	1.1
235.02373	1.1
237.05464	0.8
239.03407	1.9
241.04889	2.6
245.04501	3.7
249.07558	49.2
251.06984	1.0
253.04987	1.7
255.02850	12.3
257.04349	4.4
259.05920	1.1
263.07013	1.1
265.04913	1.5
267.02869	2.0
267.08609	37.9
269.04431	2.5
270.05121	0.8
279.06525	3.8
281.04364	1.3
285.09656	48.8
290.06039	0.8
291.06387	2.0
293.04440	1.9
295.02344	4.4
295.05713	1.3
297.03989	1.3
303.06516	1.1
307.05939	5.3
311.05469	1.0
313.03412	6.1
315.05527	0.8
319.05991	4.0
321.04105	1.2
325.07220	1.3
331.06174	0.9
335.05472	8.2
337.07031	2.1
347.05499	5.8
350.04541	1.2
351.04678	1.0
353.06595	5.5
363.04926	14.7
364.05930	0.9
365.06516	6.7
375.04962	3.8
377.06427	2.3
379.04486	4.2
381.06009	38.3
382.06323	1.1
387.04819	1.0
391.04465	14.0
392.05038	1.5
393.05997	6.3
403.04419	3.5
405.05878	2.1
407.03934	3.2
409.05502	100.0
410.06073	2.8
415.05096	1.5
415.09930	5.6
420.05032	1.8
421.05530	18.3
433.05673	2.6
439.06561	56.7
451.06534	2.3
559.08679	3.8
565.06458	1.1
571.08905	1.3
577.09674	4.3
583.08679	4.2
585.12836	1.1
589.09631	1.9
601.09656	0.8
607.08698	1.0
625.09985	5.9
643.10577	2.0
651.10162	0.9
669.11987	2.2
722.54156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01863	5.2
55.05487	0.8
57.03429	5.7
59.04980	0.9
61.02900	1.2
65.03922	2.1
67.01843	1.4
67.05492	0.7
68.99773	5.1
69.03065	0.9
69.03419	11.3
70.20687	2.1
71.01333	1.0
71.04982	28.7
75.04463	1.3
77.03877	0.5
79.05486	3.8
81.03394	0.8
81.07051	0.6
83.04953	2.0
85.02892	37.0
87.04436	1.0
91.05466	2.4
93.03391	4.2
93.07021	1.2
95.04962	3.6
97.02880	1.2
99.04443	1.9
103.05434	1.0
105.07009	0.9
107.04933	7.7
109.02852	2.3
111.00768	1.4
111.04423	12.1
115.05470	0.7
119.04935	0.5
121.06495	5.4
123.04398	1.0
125.05983	1.5
127.03889	1.9
129.05470	4.4
129.06989	0.9
131.04919	1.0
133.06438	2.0
135.04398	31.2
137.02281	0.8
137.05983	0.7
139.03880	100.0
143.04860	0.8
145.06453	1.0
147.04361	1.6
147.06490	0.9
147.08014	1.2
149.05949	5.7
151.03882	17.4
153.01801	27.9
153.05400	2.4
157.05124	0.8
157.06470	2.1
159.04390	0.9
161.05954	4.3
163.03883	47.1
165.01820	0.9
165.05475	2.1
171.04416	1.1
173.05937	0.8
175.03885	1.7
175.07558	1.5
176.04666	2.1
177.05446	17.5
179.03378	5.7
179.07028	1.3
181.04932	57.1
183.02882	0.9
183.04353	1.1
185.05948	4.1
187.03906	2.0
189.05429	12.0
191.03339	1.9
193.04886	2.5
195.02852	1.8
197.05908	0.7
199.03864	3.6
200.04695	2.2
201.05443	4.3
203.03314	0.9
203.07002	8.3
205.04927	68.6
206.05359	0.9
207.02853	3.1
207.06483	1.7
211.03896	1.1
211.73016	0.5
213.05428	4.1
215.03397	4.4
217.04913	1.6
223.03860	1.3
225.05400	1.7
227.03308	3.0
228.04062	1.1
229.04929	6.7
231.02838	1.9
231.06480	29.1
232.06958	0.6
235.02322	0.7
237.05528	1.0
239.03439	1.7
241.04970	2.0
245.04344	3.3
249.07550	40.6
251.03349	0.8
251.07030	1.0
253.04932	3.3
255.02771	9.4
255.05624	0.6
255.06441	0.5
257.04465	3.0
263.07004	0.7
265.04935	1.2
267.02811	1.7
267.08594	28.9
269.04413	2.2
270.05188	0.7
279.03314	0.9
279.06534	3.2
285.09647	56.4
286.09909	0.9
289.04974	1.3
291.06305	1.3
293.04434	2.2
295.02347	3.2
295.05688	1.2
297.03992	1.2
303.06537	0.6
305.04654	0.8
307.02533	1.1
307.05820	4.5
309.07535	1.3
313.03299	4.0
317.04428	1.0
318.05072	0.7
319.05978	3.8
321.03879	1.3
325.06995	0.8
329.04190	0.8
331.06006	1.1
335.05460	6.8
337.06985	1.8
339.04840	0.7
343.61633	0.6
347.05328	5.1
350.04010	0.9
351.04959	1.1
353.06564	5.0
359.05472	0.8
363.04926	13.2
364.05557	0.8
365.06537	4.9
373.06903	0.6
375.04977	3.9
377.06314	1.4
379.04462	3.5
380.05328	1.1
381.05988	33.4
391.04416	8.6
392.04977	1.2
393.05984	5.1
403.04529	1.5
405.06183	1.3
407.03864	2.6
409.05484	81.4
410.05875	3.1
411.07147	1.1
415.10165	0.6
419.03900	0.8
420.04819	1.1
421.05496	12.7
433.05820	2.6
439.06561	45.1
440.07156	1.1
451.06546	1.8
559.08618	3.8
577.09839	4.0
583.08984	3.2
585.12482	0.8
589.09186	1.2
619.10828	0.8
625.09662	3.8
625.54688	0.6
643.10809	1.0
651.11035	1.3
669.12000	1.4
702.00128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96320	0.2
56.96557	3.7
60.26049	0.2
69.45105	1.6
69.45522	0.8
71.12852	0.2
84.96027	2.1
86.05554	0.2
98.97567	20.7
102.96990	0.3
110.97536	5.2
112.99099	0.3
116.98608	14.4
123.25290	0.2
124.99120	0.5
128.98589	10.7
131.00157	0.6
131.01920	0.4
134.99641	5.0
140.00150	0.6
140.98563	1.8
143.00137	5.3
145.01686	0.5
145.03493	0.3
146.99637	7.7
149.01167	0.3
152.00169	0.3
152.98567	0.9
152.99599	0.5
153.00671	0.5
155.00186	0.3
155.01797	0.2
158.99634	12.1
161.01205	9.1
161.02635	0.3
162.00165	0.3
162.99126	0.4
165.00735	1.1
168.00159	0.4
170.99632	13.0
173.01231	0.8
173.02795	0.6
174.00166	0.3
174.99112	0.7
177.00693	13.4
179.02309	1.4
180.00082	0.4
182.99611	7.8
184.02687	0.3
185.01242	0.3
185.02982	0.3
189.00691	16.6
191.02248	0.5
194.99896	0.4
195.01750	2.1
198.01225	0.4
200.02292	0.6
201.00685	37.6
203.02251	0.8
203.04016	0.4
204.01224	0.5
207.01697	2.4
212.02203	0.7
213.00677	2.8
213.92290	0.3
219.01738	33.6
224.02269	0.7
228.02173	0.5
231.01753	5.0
237.02800	15.1
240.02209	0.6
242.03294	0.9
243.01724	14.2
245.05048	0.7
249.02785	0.7
255.03864	1.3
257.05090	0.5
260.04401	0.4
261.02786	68.0
262.03079	0.7
273.02722	4.8
279.03845	44.4
280.04224	0.5
284.04315	0.4
291.03821	13.0
297.04977	1.7
300.04175	0.3
300.57623	0.3
302.05414	2.8
303.03882	1.6
309.04785	1.2
315.03564	0.3
321.04895	30.1
322.05170	0.5
332.06589	0.3
333.04794	2.9
345.04935	0.8
351.05945	7.8
351.10229	0.5
363.06012	2.0
381.07004	16.4
382.07355	0.5
399.08054	18.5
400.08340	0.5
414.02106	0.2
422.09589	1.2
423.07983	0.8
441.09116	100.0
442.09375	2.6
445.87402	0.3
453.09094	2.9
471.10233	1.7
483.09821	0.5
501.11377	2.2
502.11566	0.3
525.10822	0.5
543.12378	2.0
599.52063	0.2
703.84406	0.3
723.17993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.05501	21.3
57.03427	7.5
57.07054	3.2
62.63457	1.8
65.49082	1.8
67.05499	91.1
69.03413	8.4
69.07059	18.5
70.73930	6.6
71.04984	23.7
79.05482	43.6
81.03407	21.1
81.07047	100.0
83.04978	14.3
83.08604	7.7
85.02876	2.4
85.06515	7.8
91.05466	37.3
93.07034	45.0
95.01350	1.8
95.04955	9.0
95.08597	37.4
97.02867	6.4
97.06516	8.3
97.10163	3.0
99.04417	3.0
99.08064	2.4
105.07026	21.7
107.04967	2.7
107.08595	25.0
108.22330	1.9
109.02844	1.9
109.06471	5.3
109.10123	15.9
111.04465	3.8
111.08041	2.6
117.06985	6.4
119.08590	13.3
121.10122	16.4
123.11686	13.1
125.09657	2.1
127.03904	2.1
129.05464	5.4
129.06998	4.9
131.08530	11.5
133.10135	24.4
135.07986	2.4
135.11688	9.3
143.08522	2.9
145.06456	2.5
145.10083	6.2
147.11649	5.9
149.13229	8.5
151.11145	5.9
157.10121	3.2
159.11710	11.3
161.13171	5.2
171.11630	4.3
173.04480	9.1
173.13252	3.7
177.12738	6.1
183.11728	2.3
183.13741	3.4
187.13234	9.2
187.14812	2.7
192.39159	2.1
193.12291	2.2
195.13768	3.1
197.23897	2.5
201.14839	4.1
214.22638	1.9
243.15872	5.7
251.16255	2.2
257.17462	2.8
261.22000	3.2
269.17395	10.4
281.06418	1.9
301.19934	2.5
335.25778	30.3
342.88904	2.4
369.23965	5.8
413.21680	2.7
445.24216	6.1
485.36127	3.2
503.37222	41.5
505.38736	9.0
517.39258	5.0
529.38818	16.4
561.41449	50.1
562.41492	2.5
647.41010	2.1
648.69086	2.0
655.41968	2.9
673.42627	7.6
691.43781	2.8
705.45709	11.1
723.46790	2.4
748.64203	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46980	0.5
53.03935	1.1
55.01872	2.5
55.05256	0.7
55.05505	11.3
57.03432	3.4
57.07069	0.5
59.04982	0.7
61.02920	4.3
63.66343	0.4
67.05498	13.3
69.03419	5.3
69.07061	14.5
69.81745	3.1
71.04982	1.8
73.02897	1.2
79.05484	11.2
81.03407	6.5
81.07050	11.9
83.04967	3.0
83.08611	6.4
85.02896	5.1
85.03368	0.7
86.09710	0.5
91.03941	3.4
91.05463	10.4
92.05794	0.4
93.07033	9.6
95.04965	5.9
95.08600	6.5
97.02883	7.8
97.06535	2.3
97.10157	8.1
98.20985	1.2
99.04436	0.8
103.05497	0.6
105.07021	8.3
107.04940	4.5
107.08572	8.2
109.02845	1.1
109.06493	2.0
109.10133	7.2
111.04417	0.7
111.08063	1.7
115.05476	0.5
117.07001	3.7
119.04899	0.7
119.08560	6.7
121.06502	2.4
121.10140	4.3
123.08099	2.1
123.11693	0.7
125.09625	7.4
127.03910	1.7
129.05524	0.6
129.06985	2.0
131.04979	0.7
131.08553	5.4
133.06468	2.0
133.10114	5.2
134.07269	0.6
135.08060	2.3
135.11664	1.6
135.80171	0.4
137.09590	1.8
139.03877	0.7
143.08543	1.8
145.04913	1.8
145.10098	3.2
147.08051	3.8
147.11693	2.5
149.09633	2.1
149.13243	1.1
151.11145	1.8
153.09090	0.7
157.10115	2.1
159.11678	1.5
161.09602	1.8
162.10298	0.6
163.03964	0.6
163.06056	0.9
163.11145	1.5
164.76761	0.4
165.09108	1.1
169.10172	0.5
171.11661	0.9
173.09499	0.5
173.11813	0.5
173.13306	0.7
175.11182	2.1
177.12642	0.7
184.07359	1.2
185.13278	0.8
189.11250	2.9
193.12248	4.7
195.13768	0.6
205.12238	1.2
211.13203	2.1
223.13255	11.5
227.12753	3.9
227.17917	0.5
229.14297	0.5
245.13939	0.7
245.18959	0.9
249.14818	2.3
253.14351	2.1
255.17265	0.6
267.15823	2.4
271.15424	0.8
273.18451	7.4
283.15527	0.7
285.16904	11.6
286.17178	0.7
291.19507	52.6
292.19858	1.3
347.22147	3.1
349.23782	0.5
365.23184	100.0
366.23502	3.5
381.85495	0.6
407.24298	0.6
429.21329	1.4
459.27191	0.7
477.27972	1.3
491.26416	0.7
509.27237	1.7
527.28467	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	724.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01855	2.9
55.05503	8.0
57.03432	10.4
57.07065	0.6
57.75356	0.4
61.02911	0.5
65.03928	1.1
67.05494	14.7
69.03418	2.7
69.07061	4.1
70.87518	1.1
70.87878	0.7
71.04984	2.9
73.02938	0.4
79.05483	13.9
79.05954	0.7
81.03408	71.7
81.07047	16.4
83.04975	7.8
83.08607	19.2
85.02891	10.7
85.06543	1.0
91.05473	18.8
93.07037	12.1
95.04958	23.7
95.08594	6.8
97.02875	2.6
97.06506	1.8
97.10163	4.2
99.08079	1.1
103.05476	0.5
105.07014	13.4
107.04939	6.6
107.08576	6.1
109.06519	4.1
109.10145	3.1
111.04446	2.2
111.08068	9.8
113.06016	1.0
115.05457	1.1
117.06985	2.5
119.04929	1.3
119.08566	13.0
121.06482	3.4
121.10138	7.3
123.04449	0.6
123.08051	2.7
123.11679	1.4
125.09610	4.4
129.06982	9.6
131.04892	1.1
131.08554	10.6
133.06473	4.2
133.10129	7.1
135.08043	1.0
135.11719	0.8
137.09576	2.8
141.06970	0.9
142.07797	2.0
143.08524	0.9
144.27940	0.4
145.06470	3.7
145.10132	2.1
147.08025	4.1
147.11673	10.1
149.09590	5.7
153.09073	0.5
155.08562	1.3
157.06490	0.4
157.10115	12.5
159.08026	1.2
159.11618	0.6
161.05945	0.6
163.11160	2.0
165.11462	0.4
165.12701	2.2
167.08574	0.5
169.10052	0.8
171.08081	0.6
171.11736	1.2
173.05717	0.6
173.09612	0.6
175.11168	12.1
183.08038	0.5
183.11635	0.5
185.09572	0.9
185.13275	0.5
189.11195	1.3
189.12767	0.5
193.12216	32.6
194.12563	0.5
195.11719	1.3
197.13164	0.9
199.11163	0.6
203.14204	0.5
205.12180	0.8
207.13464	0.4
211.11343	0.7
211.13254	14.9
215.14319	1.0
217.20750	0.4
223.13261	0.5
225.12712	0.5
227.12630	0.9
229.14304	1.0
231.13687	0.7
233.15399	1.1
235.13324	0.6
237.12689	0.9
237.14799	0.6
239.14336	0.6
249.14838	1.8
255.13805	2.0
259.13089	0.7
267.15884	100.0
268.16284	1.2
273.14786	4.1
285.16916	14.2
301.14297	0.7
309.16919	0.8
314.25549	0.5
323.19565	0.6
339.23184	1.4
341.21118	1.7
349.21603	3.3
357.24274	0.7
367.22641	8.5
385.23712	10.2
387.23080	0.5
403.24731	2.7
405.24243	1.1
415.24933	0.9
423.24951	0.5
433.25845	13.8
441.26331	6.8
443.20032	0.4
459.27359	72.8
460.27814	1.7
477.28427	45.2
478.28934	1.1
491.29941	1.0
501.28635	0.5
509.31021	0.8
519.29523	1.3
603.31873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01870	6.1
55.05507	13.6
55.67120	0.6
57.03432	13.7
57.07058	1.6
59.05001	0.8
61.02919	11.6
65.03920	1.7
67.05499	44.7
68.05830	0.9
69.03423	7.9
69.06718	1.3
69.07062	18.5
70.37434	1.8
70.37849	1.4
71.01332	1.5
71.04993	4.8
73.02906	4.2
76.75330	0.7
79.05486	30.9
80.05778	0.8
81.03410	16.5
81.07049	55.2
82.03753	1.5
82.07346	1.2
83.04967	9.5
83.08606	13.3
84.08891	0.7
85.02415	1.1
85.02899	17.0
85.06537	4.6
85.49797	0.6
91.03947	8.9
91.05473	27.8
92.05787	0.9
93.07034	42.4
94.07352	0.7
95.04963	8.8
95.08599	20.9
96.08966	0.6
97.02882	9.8
97.06522	13.9
97.10158	5.0
98.21100	1.5
99.04441	2.9
99.08064	3.0
101.02383	0.8
103.03925	2.5
103.05487	0.7
105.07024	20.9
107.04965	5.6
107.08585	26.8
109.02869	2.2
109.06525	4.8
109.10154	9.7
111.04432	2.1
111.08076	5.1
113.05995	0.7
113.09609	1.3
115.05466	0.7
117.07001	12.4
119.04948	1.0
119.08575	17.1
121.06520	3.8
121.10139	13.6
123.04417	0.7
123.08071	3.1
123.11694	3.8
125.09649	4.0
127.03914	5.8
127.07542	0.7
128.06149	0.8
129.05473	1.0
129.06979	3.6
131.04919	1.0
131.08554	14.4
133.06421	1.4
133.10109	17.5
135.08076	3.8
135.11682	20.3
137.09627	3.4
139.03882	0.8
139.07538	0.8
139.11108	0.9
141.06969	1.2
141.09071	0.6
142.07697	0.7
143.08540	3.4
145.04982	4.2
145.06435	1.3
145.10118	12.2
147.08081	1.1
147.11662	9.5
149.09601	8.2
149.13251	16.6
151.11183	2.9
155.08545	0.7
157.10104	4.4
158.10484	0.7
159.08044	1.3
159.11679	19.7
160.12204	0.7
161.09589	1.7
161.13220	4.6
163.06042	3.8
163.11151	7.3
163.14774	0.7
165.12700	1.6
169.10101	2.0
171.10258	0.9
171.11668	2.7
173.04437	2.9
173.09569	0.9
173.11852	1.2
173.13235	4.9
175.07460	0.7
175.11171	2.8
177.12735	19.4
179.14317	6.0
181.12231	1.9
183.06596	0.7
183.11674	1.8
184.07315	1.1
185.13295	1.0
187.14813	0.9
189.11206	1.6
189.12752	1.1
193.12251	3.3
194.12627	1.3
195.13828	6.9
197.13147	1.2
199.14934	1.2
211.13226	1.7
213.12761	0.7
219.13866	0.7
227.12825	1.9
229.14339	2.5
229.19513	1.8
233.15428	0.9
239.17972	2.7
243.28078	0.6
245.13792	0.9
247.20621	2.7
251.16425	6.2
252.16728	0.7
255.15898	39.1
257.18997	7.2
259.20755	0.8
261.14819	0.8
267.15918	5.2
268.16251	3.4
269.17453	100.0
270.17929	0.8
275.20035	15.9
283.21533	0.7
285.09988	0.8
285.17014	1.6
293.21075	2.3
309.20584	1.8
331.22647	0.8
335.18631	0.9
339.18027	0.9
349.23694	56.7
350.23959	1.0
351.25436	1.3
367.24783	24.2
371.17358	1.3
373.17737	0.9
377.19452	1.0
389.18161	0.8
395.20523	0.9
399.20111	0.8
413.21713	5.0
417.21005	1.3
431.22910	1.8
433.26486	0.9
437.25204	0.7
459.27304	1.7
460.27731	1.8
461.27927	3.9
475.27090	1.3
477.28503	0.8
479.29025	3.1
493.27878	2.4
511.28918	8.2
514.23602	0.7
529.29877	1.8
683.61102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01866	4.3
55.05507	9.8
57.03433	7.2
61.02914	10.3
63.48447	0.6
65.03922	0.8
67.05497	28.8
69.03415	3.7
69.06709	1.0
69.07059	15.8
71.04983	4.2
71.13482	1.6
71.39996	0.7
73.02888	3.1
74.06043	0.7
77.03931	0.6
79.05482	23.0
79.37924	0.6
81.03409	7.6
81.07047	59.0
83.04966	5.5
83.08601	11.3
85.02890	13.2
85.06528	2.7
91.03946	7.4
91.05467	22.9
93.07032	26.7
95.04948	8.9
95.08600	16.8
95.09210	0.7
97.02879	6.1
97.06521	7.4
97.10150	3.3
99.04422	0.8
99.08069	3.1
101.02361	0.8
103.03944	0.9
105.07018	17.4
106.07349	0.8
107.04948	7.2
107.08579	16.7
109.02880	1.5
109.06503	18.4
109.10148	8.1
111.04415	1.1
111.08061	4.1
113.09592	0.7
115.03963	0.7
115.05422	0.7
115.07556	0.6
117.07005	6.0
119.08569	17.5
120.66626	0.7
121.06494	4.4
121.10123	10.6
123.08055	4.6
123.11690	5.8
125.09592	3.2
127.03858	3.2
129.05481	1.0
129.06972	3.6
131.08556	12.0
133.06509	1.2
133.10114	14.3
135.08058	3.1
135.11685	9.2
137.09602	3.3
139.11180	1.2
141.07047	1.1
143.08548	1.9
145.04948	2.4
145.06461	0.8
145.10107	9.8
147.08043	1.3
147.11670	12.8
148.11922	0.7
149.09578	6.0
149.13240	6.6
151.11168	2.3
155.08556	0.9
157.10120	2.9
159.11674	11.4
161.09589	0.9
161.13254	3.1
163.05998	3.0
163.11163	5.8
163.14828	1.7
165.12737	3.6
169.10106	1.5
171.11655	2.4
173.04315	0.6
173.13240	4.5
175.11166	3.4
177.12778	7.2
179.14297	3.2
181.12134	0.8
183.11652	1.4
187.11182	1.2
187.14853	1.5
189.11166	0.9
189.12671	0.9
191.03429	0.9
191.08549	0.8
191.14311	1.1
193.12201	2.2
195.13780	1.9
197.11664	0.8
197.13309	1.3
201.12764	1.0
205.15753	0.9
211.13234	1.0
213.14789	0.7
215.17827	0.7
219.13820	1.1
227.12770	1.5
229.14246	1.7
229.19510	1.3
233.15523	1.1
239.17900	2.3
247.20651	3.1
249.09071	2.4
250.28084	0.7
251.16362	1.4
255.15862	13.8
257.18991	3.9
261.37280	0.6
267.15921	2.7
269.17441	27.2
275.20044	24.6
275.23056	1.1
285.17026	0.7
293.21097	4.5
349.23688	74.2
350.23889	1.1
367.24750	100.0
368.25238	1.6
386.10583	0.7
394.39532	0.7
418.16544	1.4
447.27521	1.0
461.28543	1.3
475.07788	0.7
478.29102	1.1
479.29288	1.7
493.27856	2.0
511.29095	5.1
528.42450	0.7
529.30011	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	726.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.04351	0.5
55.01866	3.7
55.05507	9.8
55.05777	0.6
57.03432	6.5
57.07077	0.7
61.02920	6.8
62.99537	0.5
65.03937	1.1
67.05495	25.1
67.98381	0.4
69.03426	3.6
69.07058	13.0
71.04987	3.1
71.61852	0.7
73.02911	2.8
79.05480	19.7
81.03413	6.5
81.07045	54.8
82.07388	0.6
83.04967	5.0
83.08609	11.1
85.02892	10.3
85.06541	1.6
87.00351	0.4
91.03953	5.7
91.05466	16.7
93.07030	20.0
93.07619	1.0
95.04950	8.1
95.08591	15.1
97.02879	5.7
97.06516	7.2
97.10156	2.2
99.04450	1.2
99.08075	2.8
103.03918	0.8
103.05449	0.6
105.07018	17.5
107.04935	6.2
107.08582	13.7
107.09284	0.9
108.08934	0.6
109.02884	0.8
109.06499	19.5
109.10135	7.7
111.04445	1.0
111.08063	2.9
113.06015	0.5
113.09637	0.4
115.03944	0.4
115.05415	0.5
117.07004	5.9
119.04903	0.8
119.08569	14.2
121.06488	2.5
121.10127	11.5
121.65297	0.5
123.04420	0.7
123.08046	5.1
123.11658	4.0
125.09573	2.4
127.03931	2.2
129.07024	2.1
131.08548	9.3
133.06487	1.1
133.10109	12.7
134.43434	0.5
135.08026	4.1
135.11673	7.9
137.09607	2.0
137.13295	0.6
139.03894	1.3
141.06931	0.6
143.08585	1.3
145.04994	2.4
145.06488	1.2
145.10107	9.1
147.08041	1.5
147.11673	12.7
148.12076	0.9
149.09612	6.2
149.13235	7.2
151.11116	2.4
155.08557	1.1
157.10101	3.4
159.08032	0.7
159.11668	8.8
161.09610	1.0
161.13231	3.3
163.03940	0.7
163.05975	2.4
163.11128	5.0
163.14847	1.7
165.12767	3.3
168.50397	0.5
169.10188	0.7
171.11693	1.4
173.09602	1.0
173.13248	3.3
175.11147	3.2
175.14835	0.8
177.12726	5.5
179.14299	2.2
181.12206	1.0
183.11624	1.3
187.11156	1.1
187.14828	1.1
189.12791	0.7
191.14334	1.0
193.12215	3.0
195.13797	1.5
197.13237	1.4
201.12730	0.8
211.13194	0.8
215.14253	0.5
219.13782	0.9
227.12682	0.7
229.14287	1.3
229.19534	1.6
233.15294	0.6
239.17935	1.0
247.20494	2.8
251.16426	0.7
255.15869	5.4
257.19016	3.4
267.15900	3.4
268.16229	1.2
269.17456	16.7
275.20029	22.1
283.15213	0.8
285.17004	0.7
293.21051	4.5
349.23691	72.4
350.23801	1.7
367.24741	100.0
368.25204	2.7
374.15875	0.6
409.25903	0.7
413.21609	0.6
432.38208	0.6
433.25696	0.5
459.27194	0.8
460.27771	0.7
461.28198	2.0
475.26633	0.7
477.28519	0.7
478.29041	0.5
479.29138	1.3
493.27902	1.5
511.29022	5.2
529.29919	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	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01864	9.8
55.05502	23.8
57.03427	27.2
57.07047	2.4
61.02626	3.1
61.02916	34.8
65.03922	2.3
67.05497	71.8
69.03423	17.6
69.07057	33.3
71.01340	2.3
71.04987	8.8
71.61690	2.6
73.02912	12.7
79.05483	67.3
81.03411	18.4
81.07045	93.6
83.04971	15.7
83.08601	14.4
85.02894	56.9
85.06538	5.3
87.04482	1.9
91.03948	31.7
91.04893	1.8
91.05468	62.7
93.07032	93.4
95.04954	18.3
95.08597	40.7
95.09217	1.9
97.02874	24.8
97.06521	19.0
97.10157	6.4
99.04447	6.1
99.08073	9.0
103.03908	3.9
105.07016	52.8
107.04950	7.5
107.08579	51.9
107.09277	3.3
109.02856	4.4
109.06545	8.1
109.10148	17.4
111.04471	3.6
111.08067	9.6
113.09646	2.9
115.03909	2.8
115.05424	2.3
117.07009	20.3
119.08568	46.4
121.06502	4.7
121.10129	39.4
123.04398	2.0
123.08064	4.3
123.11674	4.4
125.09616	4.9
127.03908	15.9
128.06265	1.9
129.05472	7.8
129.06990	10.9
131.08569	29.5
133.06534	2.7
133.10107	41.2
133.11053	2.7
135.08055	6.5
135.11681	31.3
137.09583	3.5
143.08537	11.1
145.04942	19.5
145.06058	2.0
145.06497	1.5
145.10109	22.7
147.11674	31.5
149.09583	15.7
149.13235	33.0
151.11169	4.7
155.08522	2.1
157.10109	9.4
159.11667	33.7
161.09628	1.7
161.13251	20.1
163.06017	13.8
163.11197	7.7
163.14838	4.6
165.12755	1.7
167.08633	2.2
169.10242	3.8
171.11635	16.0
173.04420	2.1
173.11848	2.6
173.13275	11.7
175.11211	3.5
175.14821	9.6
177.12753	14.7
179.14336	4.4
183.11646	2.3
184.07268	2.0
185.13213	9.6
187.14803	3.8
189.11235	3.4
189.12796	2.5
191.14220	2.8
193.12305	2.1
195.12051	2.2
195.13763	14.9
197.13275	2.5
199.14804	5.5
211.14879	2.2
213.14595	1.9
213.16435	2.8
217.15927	4.5
219.13860	3.3
222.85481	1.7
229.14268	2.6
229.19313	2.0
231.17583	1.8
231.21118	4.1
239.18008	3.1
241.19437	15.5
243.12262	3.9
247.20636	2.4
251.16315	1.9
253.14302	2.4
257.18951	8.8
259.20572	44.1
261.14920	1.9
269.17432	100.0
275.19992	20.6
277.21655	4.9
281.17584	2.0
283.66541	1.6
333.24118	9.0
349.23694	36.9
351.25269	99.2
363.25357	3.2
375.25443	2.0
413.21725	2.4
441.26221	3.7
477.28430	4.8
495.29489	9.5
497.09720	1.8
577.24359	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16189	1.4
53.03936	4.5
55.05505	15.5
57.03425	13.4
57.07045	1.6
61.02909	5.3
65.03935	1.6
66.69053	1.5
67.05495	74.7
69.07065	18.4
69.36349	13.6
71.04977	4.0
73.02891	1.7
79.05485	45.1
81.03391	2.4
81.07047	88.2
83.04971	4.5
83.08610	12.1
85.02876	6.3
85.06519	1.6
86.09733	1.6
88.88739	1.4
91.03934	1.6
91.04957	2.4
91.05470	27.8
93.07032	53.2
93.79414	1.4
95.04940	5.2
95.08594	37.8
97.02869	2.0
97.06501	8.4
97.10176	2.4
98.23651	1.5
99.08057	2.0
105.07027	13.0
107.08578	32.7
109.10135	16.0
111.08061	3.4
117.07018	7.5
119.08548	9.9
121.10123	16.1
123.11691	8.1
131.08559	12.9
133.10101	13.5
135.11676	13.5
145.10080	7.0
147.11708	4.3
149.13225	11.7
159.11681	5.4
161.13205	2.6
163.14706	1.5
167.16260	1.6
173.13275	2.6
177.12663	3.2
184.07295	2.4
187.14836	1.8
195.13780	12.7
243.21053	3.9
261.22168	10.5
269.17447	65.3
270.17862	2.7
335.25754	92.6
336.26050	3.8
452.45563	1.7
514.13965	1.7
529.38849	100.0
530.39099	6.9
547.39380	1.9
614.93414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01865	1.0
55.05503	12.2
57.03426	12.1
57.07058	2.8
61.02911	3.1
65.03937	2.0
67.05494	58.7
68.05835	0.5
69.03418	1.0
69.07059	19.0
70.77454	1.4
71.04981	3.7
71.08631	1.1
73.02897	1.4
77.03942	0.6
79.05479	34.8
81.03406	1.4
81.07043	64.5
83.04967	3.9
83.08603	11.4
85.02901	2.4
85.06532	2.8
91.03958	1.0
91.05466	16.2
93.07028	52.1
95.04945	5.7
95.08591	29.1
97.02894	1.5
97.06517	7.6
97.10165	2.4
99.04440	0.6
99.08086	2.1
104.70922	0.5
105.04530	0.6
105.07014	9.1
105.07661	0.7
106.24319	0.6
107.04957	0.5
107.08578	29.3
108.08963	0.5
109.06498	2.0
109.10138	10.2
111.08060	4.7
111.11701	0.6
113.09663	0.8
115.05448	0.5
117.06995	7.5
119.08560	7.9
121.06526	0.8
121.10124	21.6
123.08059	1.1
123.11665	3.7
125.09627	1.1
127.03860	0.6
131.08551	10.3
133.10114	8.9
135.08072	0.9
135.11667	11.8
139.11209	1.5
145.10097	3.4
147.11659	4.5
149.09702	0.8
149.13237	25.7
150.13565	0.6
151.11215	0.7
159.11658	11.0
160.12144	0.4
161.13271	1.9
163.14851	1.9
165.12750	0.5
173.13298	2.2
175.14871	0.6
177.12698	4.2
184.07346	0.8
187.14828	1.4
195.13771	9.8
201.16368	0.5
213.14838	1.0
243.21033	3.0
261.22083	9.5
261.24756	0.6
267.15680	2.4
269.17435	100.0
270.17920	1.6
306.64352	0.5
306.68341	0.5
317.24765	1.8
324.05844	0.5
335.25745	58.4
336.26111	0.9
437.34195	1.6
455.35278	1.0
511.37668	0.9
529.38818	98.2
530.38953	2.4
531.32422	0.5
547.39777	1.7
659.20404	0.5
726.44287	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80225	0.2
55.05502	0.2
56.05012	0.4
58.06626	0.5
60.08157	5.3
67.05493	0.5
69.07062	0.2
71.07359	2.7
71.35717	0.3
79.05467	0.4
79.28088	0.1
79.99809	0.2
81.07040	0.5
86.09695	27.9
91.05449	0.3
93.07007	0.3
95.04955	0.3
95.08576	0.2
98.98449	1.9
104.10723	1.9
105.07024	0.5
107.08585	0.2
109.10152	0.1
119.08587	0.3
124.99987	18.1
129.11275	0.1
133.10088	0.2
135.11678	0.1
143.01001	0.3
166.02591	0.2
184.07315	100.0
185.07689	0.8
450.22971	0.2
468.23663	0.2
531.36206	0.4
710.44025	0.2
728.44867	5.5
729.45282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99363	0.2
53.03939	0.4
55.01851	0.5
55.05505	0.7
57.03419	1.6
59.04994	0.8
61.02919	4.0
66.72113	0.2
67.05486	1.7
68.88561	0.2
69.03423	2.1
69.07056	0.9
70.30212	0.2
71.01354	0.2
71.04983	1.5
71.06153	0.6
73.02909	2.8
79.05481	2.7
83.04976	1.0
83.08599	1.4
85.02892	5.3
85.06548	0.4
87.04464	0.6
91.03955	2.4
91.05461	3.4
93.07040	2.0
95.04952	1.7
95.08606	0.9
97.02875	3.5
97.06519	0.8
97.10167	0.4
99.04465	0.8
101.02366	1.5
103.03937	0.5
105.07005	2.2
107.04961	0.6
107.08581	0.9
109.02887	0.6
109.06522	0.7
109.10166	0.3
111.04447	0.4
111.08092	0.8
113.06112	0.3
115.03928	0.2
117.07034	0.2
119.08564	1.7
121.10122	1.9
123.08062	0.4
123.11655	0.2
127.03912	1.3
129.05516	0.4
129.06992	1.1
131.08525	1.2
133.06494	0.4
133.10121	1.5
137.05981	0.3
145.04939	0.4
145.10118	0.3
147.08107	0.3
147.11612	1.2
149.01201	0.2
149.09581	1.8
157.10101	1.4
163.03943	0.3
163.11209	0.3
175.11169	1.2
185.04279	0.4
193.12201	2.8
197.15402	0.4
203.05223	0.3
211.13348	1.0
225.14886	0.6
243.08372	2.2
251.12555	1.0
267.15833	1.3
283.15164	3.4
307.15237	0.5
325.62393	0.3
339.17798	0.9
374.15894	0.3
469.20383	9.7
470.21082	0.3
501.22989	10.7
565.69641	0.2
567.31140	0.6
729.36536	100.0
730.36871	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	731.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01869	0.3
55.05501	0.2
57.03429	2.7
57.57958	0.2
59.80603	0.2
65.03941	0.2
67.01856	0.4
68.99783	0.5
69.03419	1.0
69.66084	1.6
70.06561	0.3
71.04987	16.4
72.49213	0.2
73.02917	0.5
75.04449	0.4
79.05505	0.3
79.10842	0.2
79.75567	0.2
81.03415	0.4
82.05238	0.2
83.04972	0.6
85.02898	16.1
87.04446	0.5
91.05462	0.3
92.48141	0.2
95.04956	0.2
97.02870	0.6
102.98631	0.2
103.05447	0.2
107.04974	0.3
107.08540	0.2
109.02811	0.4
111.04415	0.5
121.02875	0.4
125.02323	0.4
127.03941	0.2
128.41440	0.2
129.05478	3.1
135.04382	0.6
137.02246	0.3
137.05963	0.3
139.05403	0.2
141.06888	0.2
147.06474	0.5
149.02324	0.4
153.01813	34.7
155.04893	0.5
161.05951	0.2
163.03894	0.3
165.01826	1.3
167.06990	0.4
171.02837	0.4
171.04231	0.2
177.01830	1.7
177.09187	0.2
179.03377	0.3
181.01309	1.9
183.02873	1.3
183.04427	0.9
185.06056	0.2
187.03894	2.8
189.05385	0.2
191.03378	0.5
193.01202	0.3
193.05051	0.2
195.02892	5.5
195.04442	0.7
197.02385	0.2
203.03340	0.3
211.03894	9.0
213.05476	0.7
215.03381	2.9
217.04999	0.3
219.02908	1.5
219.06398	0.5
223.03856	0.6
239.03369	19.1
240.03932	0.4
241.04912	1.8
245.04419	1.4
247.02379	0.3
249.01758	0.3
251.03442	0.4
253.04977	0.6
263.05450	1.5
267.02863	32.5
268.03204	0.7
269.04416	11.5
279.03049	0.2
281.06473	1.0
287.05450	0.3
295.02350	100.0
296.02698	1.8
301.05151	0.2
313.03461	0.4
323.01718	0.3
329.04755	0.3
347.05692	0.3
351.37561	0.2
361.03076	0.3
372.41156	0.2
375.04807	0.3
385.03067	0.3
388.05655	0.3
402.99234	0.4
403.04422	5.7
415.04510	0.5
421.05432	0.3
431.03989	1.1
445.05444	0.7
449.04996	10.3
450.05457	0.3
457.12711	0.2
473.04861	0.3
491.05878	1.3
513.07837	0.3
541.07275	0.8
559.08527	0.5
567.07684	4.7
577.09283	0.4
585.08539	2.3
591.07269	0.4
597.07867	0.2
627.09991	1.2
666.45648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	11.3
55.01853	8.1
55.05497	11.2
57.03422	5.0
57.07080	2.0
61.02907	2.8
65.03930	4.5
67.05490	15.5
68.99774	7.2
69.03070	3.2
69.03422	50.1
69.07051	11.6
69.56064	14.2
70.60979	2.0
71.01339	2.9
71.04966	8.0
71.06519	2.0
73.02911	1.9
77.03870	1.7
79.05482	16.1
81.03409	53.6
81.07048	27.9
83.04964	8.6
83.08604	5.9
85.02888	30.9
87.00816	12.0
91.05470	29.1
93.07032	35.4
95.04961	18.7
95.08595	52.7
97.02271	2.6
97.02879	43.9
97.06508	6.1
98.20753	3.7
99.04425	13.5
103.03954	2.8
103.05479	2.6
105.01804	3.4
105.07013	56.6
107.04953	7.4
107.08576	51.0
108.81086	1.7
109.02861	46.0
109.06506	10.0
109.10151	17.3
110.03632	1.9
111.04435	18.2
111.08066	4.9
113.05967	3.0
115.03901	5.8
115.05448	2.6
117.06983	16.3
119.08562	100.0
121.06487	11.8
121.10121	35.1
123.04432	8.8
123.08073	9.2
123.11668	7.6
125.02377	2.1
125.05979	3.9
125.09618	1.9
126.63716	1.9
127.03902	58.9
128.06204	4.1
129.01869	2.5
129.06972	11.1
130.07748	2.7
131.04956	1.8
131.08553	43.4
133.06451	7.7
133.10106	40.7
135.08044	11.5
135.11690	21.8
137.05968	16.3
137.09586	3.4
139.03867	3.4
139.07549	1.9
141.07016	4.6
142.07724	8.3
143.08534	33.6
144.09328	2.9
145.04945	3.7
145.06442	5.7
145.10100	83.7
147.08041	9.9
147.11658	41.8
149.05988	3.6
149.09583	5.8
149.13264	11.7
151.03917	3.3
151.07535	6.8
151.11092	2.0
153.09158	2.1
155.08514	13.8
156.09363	10.0
157.10107	36.7
158.10939	6.5
159.08026	7.4
159.11673	56.0
161.05972	4.1
161.09610	12.0
161.13249	20.2
163.07545	10.0
163.11192	6.7
163.14760	9.4
165.05487	2.2
165.09079	2.9
167.07037	2.8
167.08469	2.7
168.09303	2.9
169.10063	16.1
170.10866	8.5
171.08038	4.3
171.11658	34.5
172.08755	2.8
172.12288	3.2
173.09645	8.9
173.13235	47.2
173.14653	3.3
175.07495	3.1
175.11137	9.2
175.14821	24.3
177.05530	2.8
177.09087	4.9
177.12721	5.5
177.16357	6.8
179.07018	2.3
179.08501	2.8
179.10603	2.5
181.10086	5.0
182.10869	5.4
183.08101	2.3
183.11671	27.7
184.12437	2.3
185.09625	7.9
185.13222	30.8
186.13959	2.4
187.11194	11.1
187.14787	62.3
189.09096	3.2
189.12717	15.8
189.16315	14.0
191.06976	3.3
191.10522	2.7
191.14261	4.9
193.10104	2.8
195.11694	9.3
196.12444	3.2
197.09509	3.3
197.13255	17.3
198.12222	1.8
199.11143	6.8
199.14799	41.9
201.09001	2.2
201.12758	9.9
201.16360	53.2
203.14308	7.5
203.17886	6.5
205.12201	4.3
207.11708	3.8
209.13303	9.7
211.11179	4.4
211.14870	13.0
213.03911	28.8
213.12848	10.1
213.16324	24.1
215.10638	3.9
215.14346	14.2
215.17780	4.8
217.12262	4.8
217.15846	4.9
219.13739	6.8
221.13257	2.5
223.14774	7.1
225.12753	3.6
225.16365	7.6
227.10747	2.9
227.14310	4.5
227.17920	8.3
229.12231	3.0
229.15913	4.6
231.04936	11.5
231.13824	6.1
233.15321	8.3
235.14822	4.2
237.12709	3.0
237.16301	8.1
239.14282	2.4
239.17947	9.0
241.15823	2.5
241.19534	3.9
245.15324	10.7
247.16951	6.0
249.16336	2.3
251.17918	6.6
253.15840	2.4
253.19394	2.4
257.15399	3.1
259.16882	10.0
265.15656	2.2
265.19641	3.3
277.19400	2.2
281.22696	2.3
285.18420	2.4
305.22638	2.2
307.24115	5.2
309.25702	2.4
323.16370	2.4
331.20560	2.4
353.24673	8.2
379.26450	4.1
389.28348	10.4
391.29794	3.6
401.28284	8.9
403.29892	4.4
407.29300	14.2
417.27725	5.8
419.29379	33.7
421.30905	4.0
431.29251	2.8
435.16278	4.6
435.28976	11.2
437.30319	14.0
443.28870	2.7
447.28961	11.2
449.17828	2.7
449.30286	2.9
453.29935	28.1
455.30945	2.2
461.29721	2.6
463.28171	4.6
465.29993	26.0
467.31232	2.0
477.30011	3.1
483.30984	10.2
489.29556	2.5
495.30618	2.6
497.30023	2.3
507.31781	2.7
511.30453	5.4
519.30737	4.4
527.31323	4.6
529.32593	2.5
531.30621	3.1
543.30762	5.5
545.32654	3.6
549.32440	9.4
561.32428	3.4
567.33008	2.0
573.32135	12.9
579.33185	2.2
591.33160	17.4
606.85864	2.2
609.34033	7.9
631.31036	2.2
637.33136	7.8
647.31958	3.2
649.33801	5.7
665.32959	5.6
667.34375	8.2
677.33014	12.9
683.24799	2.3
683.34143	28.4
685.36047	10.3
695.33917	19.4
713.35077	10.4
729.81744	2.0
731.36121	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	731.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05503	1.6
57.03426	2.4
61.02919	6.8
62.37025	0.7
62.57018	0.7
67.05501	6.2
69.03420	4.1
69.07059	1.5
69.37197	6.4
73.02919	4.0
76.16796	0.8
79.05479	3.9
81.03432	1.7
81.07056	6.4
83.08631	1.0
85.02896	6.0
91.03967	3.9
91.05475	1.2
93.07039	4.8
95.04970	0.7
95.08603	3.4
96.72299	0.7
97.02873	6.6
97.68398	0.7
99.04429	1.2
101.02374	2.3
105.07024	1.1
107.08577	2.9
109.02872	0.9
109.10137	1.8
121.10139	2.0
122.45150	0.8
127.03928	2.0
133.10120	0.8
149.13319	1.5
159.11755	1.1
159.59573	0.7
185.04292	0.9
230.29843	0.7
235.12949	1.6
243.08430	2.1
420.58447	1.1
453.20947	5.4
519.29291	7.4
644.34106	0.8
731.43329	100.0
732.43732	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	733.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
53.17334	1.1
55.01862	5.0
55.05512	9.6
57.03417	3.9
59.04637	1.1
61.02916	3.4
65.03930	3.5
67.05499	17.0
68.99783	2.4
69.03068	2.0
69.03423	34.7
69.06749	1.3
69.07059	11.8
70.07259	1.9
70.07664	3.7
71.04997	6.3
73.02895	3.4
77.58940	1.1
79.05489	17.6
81.02968	2.1
81.03411	34.8
81.07053	33.8
83.04965	6.0
83.08601	7.0
85.02412	2.1
85.02901	35.5
85.03409	2.1
85.06535	1.5
87.00818	17.2
91.03951	1.7
91.05476	28.3
93.07040	36.4
95.04963	10.3
95.08597	52.2
97.02885	17.9
97.06519	4.7
97.10155	2.1
98.20917	2.5
98.21438	1.4
99.04451	16.1
99.08102	8.0
103.05444	1.8
105.01872	9.9
105.04528	1.3
105.07024	53.0
106.07329	1.3
107.04956	2.3
107.08585	49.5
109.02866	24.8
109.06484	8.0
109.10149	26.6
111.04417	5.0
111.08034	3.3
113.05973	2.3
115.05408	3.3
117.01849	2.9
117.07001	11.8
119.08569	100.0
120.08900	1.6
120.42303	1.2
121.06474	5.5
121.10129	36.7
123.04362	2.2
123.08048	7.0
123.11719	6.0
125.05950	1.7
127.03909	38.7
127.07530	1.4
128.06200	4.1
129.01866	1.6
129.06979	7.3
130.07774	1.7
131.04897	1.6
131.08556	48.0
133.06493	2.6
133.10117	48.7
135.08000	6.8
135.11697	14.0
137.05943	4.8
137.09586	5.3
137.13293	1.6
139.07478	1.4
141.06969	1.7
142.07759	5.9
143.08548	31.8
144.09259	3.8
145.04897	5.9
145.06519	2.2
145.10109	72.8
146.10738	1.3
147.08005	8.1
147.11679	30.9
149.09581	5.3
149.13257	11.0
149.93274	1.2
151.07486	2.2
151.11168	5.0
153.09132	1.3
155.08537	9.3
156.09322	8.8
157.10115	39.1
158.10887	2.7
159.02878	8.8
159.08051	3.4
159.11685	48.7
161.09618	9.3
161.13231	22.8
163.07533	4.3
163.11153	5.5
163.14815	9.1
164.07990	1.2
165.08972	2.2
165.12749	1.5
167.07111	2.1
167.08507	2.9
168.09317	2.0
169.10098	12.5
170.10843	5.8
171.08069	1.3
171.11674	25.8
172.12526	1.7
173.09595	3.8
173.13254	50.6
174.13680	1.4
175.07430	1.5
175.11192	5.3
175.14809	24.6
177.09062	1.9
177.12735	3.2
177.16428	8.1
179.08580	1.4
179.14333	2.1
181.10074	3.1
182.10892	3.1
183.11679	15.8
184.12381	2.4
185.09674	1.8
185.13240	40.8
187.06003	6.8
187.11192	2.5
187.14815	66.4
189.03874	1.8
189.09116	2.1
189.12723	17.1
189.16397	19.7
190.16681	1.7
191.14316	6.2
191.17899	2.6
193.10133	1.4
193.15874	2.0
194.10898	1.6
195.11647	5.2
197.13219	14.4
199.11119	2.3
199.14807	39.8
200.11885	1.4
200.15298	1.7
201.12688	5.5
201.14510	2.7
201.16374	47.9
203.14319	20.5
203.17961	11.6
205.12108	1.6
205.15866	7.5
207.11803	2.7
207.13765	4.5
209.13245	9.1
211.14816	13.7
213.03947	18.3
213.12714	2.2
213.16339	27.5
215.14322	9.7
215.17897	7.5
217.15858	15.3
219.11742	1.9
219.13811	6.3
219.17365	3.4
221.13457	2.0
221.15369	9.4
223.14774	4.8
225.16261	6.6
227.14330	2.8
227.17822	7.0
229.15855	7.4
229.19339	2.6
231.04947	11.0
231.13795	1.6
231.17438	5.0
233.15317	8.7
235.14827	2.2
235.16924	3.5
237.16322	4.2
239.17935	7.0
241.15855	1.8
241.19496	7.3
243.13695	1.6
243.17432	1.7
245.15404	7.3
247.16963	8.6
249.06180	1.4
249.14648	7.2
251.18037	3.6
253.19482	4.6
255.20975	2.2
257.15286	2.0
257.18680	1.6
259.16904	6.5
259.20496	1.4
263.18066	2.2
265.19568	2.1
267.20972	5.7
271.16855	2.0
273.18433	2.4
277.19678	1.4
279.21146	2.4
281.22656	1.2
297.18674	1.7
299.20004	2.2
307.20773	1.6
313.21219	1.5
317.22333	1.6
319.24228	1.4
321.22025	1.9
321.25555	1.9
333.22186	1.5
349.25119	2.1
365.24289	1.5
367.26047	1.5
373.28790	3.8
375.30267	1.6
385.28787	3.7
387.30280	1.6
391.29794	13.2
403.29977	22.4
405.31647	11.8
407.29337	1.5
409.30859	2.8
419.29205	6.4
421.30963	32.6
423.32489	10.0
431.29361	6.6
437.30493	98.0
438.30655	3.3
439.32114	10.9
449.18411	1.5
449.30521	28.1
451.32147	1.6
455.31644	10.1
467.31509	54.1
478.33203	4.9
485.32596	85.0
486.32486	3.0
503.33771	2.4
575.33691	1.5
593.34772	2.8
633.33820	2.0
669.36353	1.4
679.34497	2.4
697.35541	6.2
715.36328	3.5
733.37341	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	733.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45625	1.2
53.03933	7.8
55.01859	5.1
55.05507	12.2
57.03444	5.4
57.07057	3.5
61.02897	2.5
65.03918	3.0
67.05154	1.5
67.05496	17.9
68.99768	2.6
69.03426	33.1
69.07060	12.5
69.29941	1.0
70.32158	2.9
71.01326	1.3
71.04989	9.6
73.02898	3.7
73.58533	1.1
77.03922	1.1
79.05482	18.4
81.03410	34.1
81.07050	32.4
82.07352	1.1
82.75317	1.0
83.04978	5.4
83.08614	8.7
85.02898	37.0
85.06519	2.0
85.49110	1.2
87.00817	14.3
87.04458	2.0
91.03909	1.6
91.05473	27.1
93.07035	38.6
95.04957	11.2
95.08598	48.5
96.08863	1.4
97.02886	19.1
97.06516	4.8
97.10149	2.5
99.04446	20.4
99.08080	4.8
100.04731	0.9
101.02321	1.1
103.05463	2.3
105.01855	9.9
105.04539	1.1
105.07021	56.8
107.04945	3.1
107.08585	55.4
108.08921	1.4
109.02870	27.2
109.06521	6.0
109.10147	23.8
110.03176	1.6
111.04379	2.8
111.08059	3.2
112.23665	0.9
112.71612	1.2
113.06015	1.4
115.03893	2.2
115.05432	3.2
116.06176	1.4
117.01822	2.3
117.07007	14.2
119.05060	1.3
119.08572	96.7
120.08879	3.9
121.06525	5.0
121.10131	39.2
122.10513	1.1
123.04416	1.5
123.08054	8.3
123.10892	0.9
123.11703	6.8
125.05888	1.2
125.09626	2.8
127.03912	40.2
128.06213	4.3
129.01843	2.9
129.05479	1.7
129.07013	9.1
130.07758	3.7
131.08559	49.6
132.08781	1.5
133.06462	3.1
133.10120	49.2
134.10484	1.3
135.04393	1.7
135.08051	5.9
135.11679	18.7
137.06000	5.5
137.09589	4.6
137.13226	1.4
138.06393	0.9
139.03822	1.3
139.07585	1.3
141.06953	2.3
142.07765	7.6
143.08553	29.8
144.09314	3.4
145.04961	6.1
145.06418	1.6
145.10109	80.3
146.10509	2.3
147.02843	1.3
147.04440	1.6
147.08040	6.4
147.11678	33.1
148.11983	2.2
149.05925	1.3
149.09633	7.7
149.13254	11.6
151.03922	2.0
151.07533	3.2
151.11125	4.5
153.09128	2.7
155.08539	9.9
156.09346	6.9
157.10117	36.0
158.10880	4.0
159.02873	6.4
159.08017	4.6
159.11676	52.7
159.70164	1.2
160.12164	1.7
161.05916	1.3
161.09602	9.8
161.13249	22.5
163.03909	1.3
163.07518	4.6
163.11172	4.9
163.14804	13.7
165.09120	2.0
165.12758	1.3
167.07045	2.9
167.08490	2.5
167.10681	1.6
168.09314	1.4
169.10109	14.6
170.10878	7.2
171.08025	1.1
171.11679	28.7
172.12279	2.1
173.09604	3.4
173.13252	54.9
174.13554	1.4
175.11194	6.0
175.13454	2.0
175.14828	25.9
177.05444	1.4
177.09122	2.2
177.12733	4.4
177.16316	7.6
179.10631	2.5
179.14409	1.2
181.04950	1.5
181.10059	4.7
182.10870	4.4
183.11696	19.5
184.12379	2.6
185.09692	1.8
185.11572	2.4
185.13237	44.5
186.13795	1.2
187.05992	11.6
187.07442	1.3
187.11179	4.4
187.14806	72.1
188.15170	3.8
189.03880	2.1
189.09087	1.6
189.12737	21.2
189.16368	18.3
191.14278	8.0
191.17955	5.5
193.10129	2.5
193.15839	1.5
195.11714	6.1
196.12433	2.0
197.13226	16.9
199.11111	1.3
199.14792	37.5
200.15175	2.4
201.12749	7.5
201.16370	52.0
202.16594	1.4
203.14308	24.1
203.17924	13.7
205.12094	1.5
205.15829	8.8
207.11847	1.8
207.13817	3.7
207.17484	1.2
209.13240	7.4
211.11394	1.2
211.14821	12.3
213.03931	21.7
213.12744	2.9
213.16367	23.6
214.16817	1.7
215.10878	1.3
215.14299	12.0
215.17935	8.5
217.12291	1.4
217.15833	12.4
217.19250	1.4
219.13791	8.7
219.17422	3.9
221.13287	2.2
221.15388	8.8
223.14876	6.0
225.16359	8.7
227.14296	3.8
227.17947	6.5
229.15894	5.9
229.19537	3.0
231.04951	13.9
231.13853	1.6
231.17403	4.3
233.15359	10.0
235.14732	2.1
235.16881	2.8
237.16380	3.3
239.17920	7.2
241.15872	2.3
241.19467	9.7
243.17407	2.4
243.21086	2.3
245.15298	8.4
245.19104	1.6
247.14687	1.9
247.16930	11.5
249.14566	6.8
251.17929	3.1
253.19507	5.5
255.21071	2.6
257.15262	1.3
259.16937	6.4
263.18094	1.6
265.19565	2.4
267.21057	4.8
273.18558	2.4
275.17889	1.5
277.19531	2.4
279.21036	3.1
281.19135	1.9
281.22504	1.9
285.18658	1.3
299.20029	2.5
303.20898	1.2
307.23996	1.9
319.24234	2.3
329.22644	1.4
333.22101	1.3
353.24673	2.5
373.28876	4.2
375.30469	2.0
385.28818	5.7
387.30386	3.2
391.29892	13.3
393.31613	2.2
403.29968	24.9
405.31421	9.0
406.31876	1.1
409.31094	3.2
419.29544	7.0
421.30951	39.8
422.31458	2.2
423.32602	10.5
424.33014	1.1
431.29443	9.0
433.30664	1.3
435.28687	1.4
437.30496	100.0
438.30753	5.1
439.32095	14.4
449.30472	26.5
451.31866	3.9
453.29333	1.3
455.31412	11.5
457.32922	1.2
465.29590	1.2
467.31561	65.6
468.31870	4.0
478.33344	5.1
485.32602	89.8
486.32645	4.8
495.31174	1.4
503.33365	2.9
513.31201	1.2
547.33661	1.2
575.33783	2.3
593.34424	3.1
651.35248	3.8
653.36761	2.2
669.35687	4.2
671.37219	2.3
679.34863	5.6
687.37390	4.0
697.36176	7.0
715.37274	6.3
733.38000	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	735.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01857	2.6
55.05507	9.7
57.03425	2.8
57.07062	3.0
61.02908	1.2
65.03914	1.1
67.05144	1.5
67.05492	11.2
68.99780	1.1
69.03419	17.2
69.07054	13.2
69.42242	7.7
71.04989	4.9
73.02916	1.0
79.05487	10.9
81.03411	15.4
81.07046	28.0
81.89954	0.8
83.04978	2.6
83.08607	6.0
85.02406	1.6
85.02897	23.4
85.03413	1.2
87.00826	11.2
90.68898	0.8
91.05464	14.7
93.07032	29.3
95.04945	7.2
95.08595	45.8
97.02876	11.8
97.06522	8.4
97.10159	2.3
99.04433	8.8
99.08090	1.4
103.05473	0.9
105.01843	7.8
105.07017	51.6
107.04952	1.5
107.08582	50.1
109.02859	13.2
109.06489	5.5
109.10143	24.7
111.08076	5.1
115.05415	1.5
116.06203	1.0
117.07005	7.7
119.08566	72.8
121.06446	6.6
121.10126	35.2
123.08019	4.7
123.11701	8.8
125.05952	1.2
125.09644	4.0
127.02937	1.4
127.03899	28.4
127.07549	0.9
128.06197	1.5
129.01799	1.2
129.06978	4.0
130.07747	2.3
131.07545	1.8
131.08551	44.9
133.10112	55.6
135.08069	5.5
135.11684	16.8
137.05949	1.9
137.09587	5.8
137.13235	2.0
139.03857	1.3
139.07550	1.0
141.07005	1.5
142.07793	1.8
143.08539	13.2
144.09349	2.2
145.04974	4.4
145.10107	64.6
147.08038	3.8
147.11661	33.5
149.05942	1.2
149.09630	5.6
149.13228	16.1
151.07516	1.0
151.11171	2.3
153.09093	1.2
155.08536	2.5
156.09319	3.7
157.10100	19.2
158.10890	2.8
159.02922	2.5
159.11673	45.3
161.09627	8.2
161.13234	24.5
163.07523	1.8
163.11147	8.2
163.14806	21.6
165.09117	1.5
165.12772	2.4
167.10631	1.6
169.10107	3.5
170.10921	4.7
171.11652	14.2
172.12453	2.7
173.09698	1.6
173.13243	63.3
174.13948	1.0
175.11249	5.5
175.14801	37.1
176.11885	0.9
177.09177	1.8
177.12796	4.3
177.16368	16.4
179.10699	2.3
179.14351	1.4
182.10925	0.9
183.11700	7.3
184.12402	1.3
185.13234	22.9
185.14827	1.6
186.14020	1.2
187.06049	7.3
187.14798	82.5
189.12811	4.4
189.16367	26.9
191.14282	48.4
191.17905	13.6
193.12184	5.2
193.15921	2.3
195.11699	1.6
196.12306	0.9
197.13289	5.7
199.11159	1.1
199.14807	22.0
200.15318	1.1
201.12660	3.0
201.16356	100.0
202.16719	1.4
203.14294	27.5
203.17926	63.5
205.15865	19.6
205.19514	3.1
207.13765	1.3
207.17470	1.8
209.13301	2.4
211.14832	6.2
213.03906	13.5
213.12856	0.9
213.16354	17.2
215.14345	3.6
215.17888	11.1
217.15845	10.8
217.19458	3.1
219.13893	1.8
219.17403	8.8
221.15334	41.9
221.18721	1.7
223.14807	2.1
223.16971	3.2
225.16316	3.9
227.14299	1.4
227.17921	5.7
229.15840	6.8
229.19371	4.3
231.04936	12.0
231.17397	6.9
231.20981	1.5
233.15366	2.5
235.16879	8.5
237.16542	1.1
239.16351	4.6
239.18135	2.8
241.16005	1.1
241.19478	3.9
243.17482	1.6
243.21094	1.5
245.15356	2.7
245.18941	1.3
247.16887	33.3
249.06033	2.5
249.14896	1.4
249.18466	4.7
251.18011	1.8
253.19557	2.1
255.17346	1.3
255.21074	2.2
257.19000	1.5
257.22525	1.1
259.16925	2.4
261.18417	2.0
267.21030	2.3
269.18918	0.9
269.22604	2.9
273.18579	1.3
275.20111	1.5
279.20999	1.2
281.22708	1.8
283.20453	1.0
285.18207	1.0
291.20914	1.2
305.22610	0.9
307.24167	1.1
319.24005	1.0
327.23184	1.2
347.27332	2.2
349.29242	1.0
365.28403	2.8
375.30453	3.9
377.32175	2.3
387.30450	8.0
389.32211	4.3
393.27054	1.5
393.31808	4.1
395.33313	1.9
405.31503	32.7
407.33060	10.1
411.28638	1.5
415.29990	1.4
421.30954	4.8
423.32523	54.4
424.32739	1.1
425.34158	15.6
433.30951	13.6
439.32043	8.1
441.33636	10.6
443.34988	1.4
451.19464	0.9
451.32056	29.2
469.33160	32.9
470.33545	1.6
487.34189	14.8
537.32520	0.9
635.35303	1.4
643.78595	0.8
653.36310	2.3
655.37634	1.0
671.37646	3.0
673.38904	2.5
681.35773	2.3
699.37079	4.3
717.38409	4.9
735.39050	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.8
55.01867	14.3
55.05504	34.7
57.03433	14.6
57.07067	2.6
61.02925	6.6
65.03931	5.2
66.46607	1.7
67.05497	85.0
69.03424	13.8
69.07064	26.2
69.45717	12.2
69.46119	3.3
71.04993	9.3
73.02899	3.9
73.06547	2.4
79.05484	96.7
81.03412	38.8
81.07048	100.0
83.04978	22.2
83.08608	19.8
85.02893	12.8
85.06534	5.8
91.05471	78.7
93.07034	89.7
94.79578	1.7
95.04961	28.9
95.08590	48.0
97.02879	11.7
97.06513	22.6
97.10165	9.9
98.21434	3.8
99.04438	3.3
99.08071	2.0
103.05473	2.8
105.07020	72.5
107.04945	19.3
107.08576	43.6
109.02875	4.9
109.06533	14.3
109.10142	16.9
111.08093	5.4
115.05382	3.6
117.06998	24.3
119.04941	2.2
119.08569	54.3
121.06508	7.8
121.10132	19.7
122.54372	1.6
123.04468	2.0
123.08057	10.5
123.11701	4.8
125.09635	6.3
127.03907	8.0
128.06198	3.9
129.05487	3.8
129.06996	25.6
130.07759	1.8
131.08546	22.4
133.06506	3.6
133.10114	33.5
135.08070	7.9
135.11641	10.0
137.09615	5.4
139.11185	2.4
141.06955	4.3
143.08543	15.4
145.06419	4.1
145.10106	29.8
147.08031	6.3
147.11667	47.7
149.09610	12.8
149.13249	8.5
151.11116	3.4
155.08549	3.9
157.10104	9.6
159.08090	4.1
159.11697	13.2
161.09644	4.2
161.13229	12.5
163.11162	6.1
165.12791	2.3
169.10097	7.3
171.11670	24.9
173.04500	11.2
173.05759	2.1
173.09676	2.4
173.13263	7.1
175.11192	2.6
175.14725	1.7
177.12769	3.0
179.14270	2.0
183.11696	2.9
185.13261	2.1
187.11157	2.9
189.11221	3.7
189.12790	7.0
195.13747	2.4
197.13417	2.2
199.14714	2.6
201.12805	2.0
207.13777	31.1
211.14922	1.8
213.16382	2.8
225.14827	2.2
227.12720	12.9
239.17863	3.6
247.20543	2.9
253.14583	2.6
257.19009	9.0
267.15829	2.8
269.17578	2.2
275.20035	50.3
276.20340	2.1
281.17435	64.2
287.16309	3.7
293.21024	3.9
331.22263	1.9
337.27246	5.5
349.23737	26.9
356.79349	1.9
367.24945	3.6
377.23468	4.6
395.20486	2.3
401.23230	2.3
407.20630	2.1
413.21756	5.7
473.19501	2.2
475.30490	57.1
475.37274	3.1
511.29056	2.3
515.33813	2.8
527.37195	3.4
537.35663	4.7
555.36810	56.4
565.19318	2.1
573.37695	14.8
619.34589	15.6
699.40613	3.6
717.41888	3.7
735.41681	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	737.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.8
55.01863	13.5
55.05504	37.6
57.03422	16.2
57.07054	1.4
61.02887	1.8
65.03927	3.4
67.05495	57.6
69.03423	25.1
69.07057	19.8
69.54169	12.4
71.04982	10.1
73.02894	1.7
73.15972	1.4
79.05479	51.5
81.03406	100.0
81.07044	94.7
83.04967	34.2
83.08614	32.4
85.02883	23.1
85.06532	4.6
86.09732	1.4
87.04482	1.6
90.32513	1.8
91.05469	48.5
93.07030	39.5
94.42780	1.5
95.04955	47.6
95.08593	27.0
97.02870	25.3
97.06508	14.6
97.10149	22.9
99.04453	8.6
99.08083	4.4
105.07015	38.8
107.04926	17.5
107.08574	27.2
109.02863	17.8
109.06507	20.7
109.10164	12.1
111.04429	25.2
111.08060	17.4
113.06007	3.8
115.05431	3.5
117.06993	15.4
119.04908	2.2
119.08560	39.6
121.06485	13.8
121.10143	20.5
123.04415	4.2
123.08051	22.6
123.11746	2.1
125.05999	2.9
125.09610	16.7
127.03899	12.3
128.06226	2.0
129.05475	6.5
129.06981	15.3
131.04919	2.3
131.08551	23.5
133.06485	5.6
133.10104	16.0
135.04422	2.0
135.08040	12.9
135.11684	13.0
137.05956	2.1
137.09596	9.9
139.03914	3.9
141.06982	2.2
142.07750	3.5
143.08522	9.4
145.06468	5.7
145.10100	18.8
147.08028	16.0
147.11676	18.9
149.05968	3.1
149.09595	12.7
151.11195	3.1
153.09145	3.1
153.12694	10.5
155.08536	2.6
157.10095	18.3
159.08096	3.5
159.11646	6.5
161.06007	2.3
161.09621	9.0
161.13211	2.8
163.07458	2.1
163.11153	22.3
165.05521	1.8
165.09100	5.7
165.12761	3.6
167.08562	1.4
169.10161	2.8
171.08078	1.5
171.10240	1.5
171.11684	5.5
173.04617	1.5
173.09645	6.7
173.11783	1.8
173.13225	1.5
175.11162	15.0
177.12749	2.5
181.09956	1.7
181.12215	12.7
183.06487	1.8
183.11708	1.9
185.09644	3.6
185.13261	2.6
187.11095	2.7
187.14818	1.5
189.09673	1.8
189.11224	13.5
189.12733	2.8
191.10580	8.0
193.12219	37.3
199.11188	1.9
201.12662	1.7
203.14352	1.7
205.12141	2.3
207.13896	2.3
209.11659	3.5
211.13240	53.8
215.11142	1.6
217.15910	1.9
223.13249	4.0
226.21086	1.5
227.12738	20.5
229.14301	4.7
245.18999	3.6
249.14865	2.7
255.17474	3.0
265.14441	2.1
267.15857	15.9
267.44379	1.3
269.10385	2.1
271.13776	2.2
271.16757	2.2
273.18420	34.0
275.20197	1.5
283.15448	5.2
285.16901	19.7
287.11252	2.0
291.19498	73.3
292.19937	2.3
309.20575	6.7
319.15372	2.5
329.21008	2.3
331.22827	1.8
337.16565	2.1
347.22180	8.5
355.17529	6.7
365.23172	35.2
381.20251	3.5
383.24353	3.2
393.18924	2.3
399.21588	4.7
406.19217	1.6
411.20242	6.6
429.21198	17.2
465.29681	3.1
473.25543	1.9
490.28427	1.8
491.26385	2.1
539.33533	6.5
557.34766	26.3
558.34747	1.7
575.35712	32.4
581.28156	1.8
593.36597	5.8
651.22699	1.6
665.36768	3.4
683.37805	4.1
701.39148	10.4
719.39911	29.9
737.41052	18.1
738.41168	2.0
767.30017	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01866	6.5
55.05255	1.2
55.05505	16.3
57.03426	8.5
57.07070	1.3
59.04988	0.8
61.02918	1.2
64.49023	0.6
65.03925	2.5
66.04743	0.7
67.05495	28.9
69.03418	11.9
69.07055	9.9
69.46233	0.6
71.04977	4.2
71.62431	1.2
73.02884	1.2
76.78735	0.6
77.93329	0.6
79.05484	42.1
81.03408	44.3
81.07047	100.0
82.07387	1.0
83.04972	15.1
83.08604	14.5
85.02889	12.5
85.06522	1.9
87.04446	0.8
91.03951	0.7
91.05469	28.4
93.06454	1.5
93.07034	22.8
95.01305	1.2
95.04955	23.2
95.08598	15.4
97.02879	11.2
97.06526	6.1
97.10161	7.4
97.62905	0.6
99.04426	4.7
99.08101	1.0
101.02333	0.7
103.05463	1.5
105.04487	0.7
105.07017	21.6
107.04944	11.2
107.08582	14.5
109.02870	4.7
109.06503	54.8
109.10142	8.2
111.04435	12.6
111.08054	7.4
112.04781	0.7
113.06010	2.3
115.05486	2.1
116.06227	0.8
117.06995	11.3
119.04968	1.8
119.08565	27.8
121.06492	7.8
121.10125	12.2
123.04444	1.5
123.08032	6.0
123.11684	1.6
125.05987	1.1
125.09615	5.8
127.03893	4.3
128.06238	1.7
129.05484	2.5
129.06993	10.2
130.07689	0.9
131.08562	15.8
133.06499	4.7
133.10101	9.2
135.04494	0.7
135.08032	7.5
135.11656	6.6
137.09608	4.1
139.03851	1.2
141.06987	1.6
141.09042	0.7
142.07782	2.4
143.08540	5.3
145.06491	2.3
145.10103	12.8
147.08015	10.8
147.11665	9.3
149.05916	1.0
149.09592	7.8
149.13287	1.2
151.11197	0.7
153.09109	0.6
153.12766	2.4
155.08597	1.9
157.06494	1.1
157.10118	8.4
157.11322	1.0
159.08070	2.5
159.11644	4.4
161.09596	11.0
161.13264	1.6
163.11168	9.4
165.09059	3.3
165.12724	1.1
167.08556	1.2
169.10153	1.8
171.08105	1.0
171.11612	3.7
173.04453	1.7
173.09621	2.6
173.11861	1.4
173.13213	1.5
175.11156	7.9
175.91765	0.7
177.12775	1.1
181.12177	3.6
183.10127	1.0
183.11681	1.0
185.13321	1.4
187.11172	1.6
189.09726	0.6
189.11247	3.3
189.12764	1.2
191.10703	3.0
191.14279	0.7
193.12215	15.7
199.11189	1.2
203.14301	0.8
205.12207	1.3
209.11665	1.3
211.13263	19.2
211.15207	1.3
213.12759	1.1
217.15982	0.9
223.13268	2.8
227.12761	4.5
227.17876	1.1
229.14383	2.3
229.19202	0.8
231.13783	0.9
237.16374	1.1
245.19058	2.2
249.14766	3.8
255.17459	2.5
265.14322	1.0
267.09052	0.7
267.15878	19.5
273.15390	1.5
273.18451	25.7
274.18845	0.7
275.20123	3.7
283.15509	2.6
285.16901	7.7
291.19504	83.3
292.19983	1.7
309.20688	2.5
329.21222	0.9
337.16394	1.0
341.89151	0.7
347.22122	12.7
349.23718	1.8
355.17657	1.7
365.23218	21.5
373.14783	0.9
411.20084	2.9
421.26071	0.9
429.21124	13.4
447.29404	0.8
457.57153	0.7
474.63824	0.7
485.22162	1.5
537.26862	0.8
539.33594	9.8
557.34668	34.3
558.35052	1.8
575.35730	12.1
620.65106	0.7
683.37494	1.5
701.38782	4.4
719.39966	15.2
737.39026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
53.36445	1.4
55.01860	6.6
55.05259	1.8
55.05506	28.7
57.03431	12.3
57.07063	3.1
61.02919	21.1
65.03935	3.0
67.05500	62.4
69.03419	13.3
69.07061	24.8
69.99919	6.2
71.04989	13.8
73.02906	11.0
79.05046	2.6
79.05486	41.2
81.03406	21.3
81.07053	49.8
83.04975	14.7
83.08612	20.1
85.02896	21.8
85.06519	7.0
86.09703	1.5
91.03953	11.7
91.05475	42.3
93.06454	2.8
93.07041	48.0
95.04967	13.6
95.08092	1.4
95.08596	38.1
97.02892	17.7
97.06530	7.7
97.10162	16.9
99.04443	2.8
99.08084	5.4
101.02329	1.5
105.07020	42.9
107.04942	7.0
107.08585	30.5
109.02861	4.3
109.06532	8.0
109.10152	25.1
111.04449	2.4
111.08067	6.2
115.03920	1.9
115.05441	4.2
116.36018	1.4
117.07009	24.0
119.07774	2.7
119.08572	39.0
121.06476	7.5
121.10128	21.0
123.08076	7.7
123.11727	7.0
125.09603	13.8
127.03899	5.4
128.06195	6.2
129.07004	19.9
131.08551	34.4
133.06470	4.2
133.10115	29.0
135.08043	6.2
135.11681	11.1
135.12640	1.9
136.24513	1.6
137.09586	3.6
137.94991	1.5
139.11192	2.2
141.06970	6.8
142.07777	6.7
143.08549	22.9
145.06441	4.7
145.10109	31.2
147.08067	4.3
147.11682	14.8
149.09605	6.6
149.13217	4.1
151.11185	4.6
153.07019	1.7
153.09103	2.3
154.07727	2.2
155.08571	15.0
156.09341	2.8
157.06494	2.6
157.10121	18.7
159.07986	5.1
159.11667	23.4
159.74469	1.3
161.09616	6.4
161.13234	8.4
163.11176	5.5
165.06972	1.7
165.12794	2.2
166.07692	1.5
167.08549	5.6
168.09361	2.0
169.10146	12.2
171.08141	1.8
171.11671	17.8
173.09628	4.7
173.11842	2.6
173.13235	13.5
175.11118	7.4
175.14902	3.1
179.08585	2.7
181.10110	9.1
181.12102	2.5
183.11691	13.7
185.13232	10.8
187.11157	2.9
187.13345	1.8
187.14851	4.8
189.11176	7.3
189.12715	4.3
189.16351	2.2
191.10568	2.1
191.14255	2.3
193.10210	3.4
193.12254	6.6
195.11649	9.2
197.13240	9.2
199.11215	2.7
199.14787	6.4
201.12671	3.4
201.16397	2.0
203.14307	1.9
205.10104	1.6
207.11685	2.9
209.13211	8.5
211.11301	1.9
211.13197	4.3
211.14830	6.4
213.12672	2.9
213.16338	2.9
215.14268	1.6
217.15829	2.8
219.11601	1.8
221.13243	2.3
221.15388	1.7
223.14807	5.3
225.16360	3.5
227.12633	12.3
229.14264	2.4
231.13680	2.5
233.18983	1.8
235.14825	2.5
235.16962	2.5
237.16278	1.8
253.09315	1.6
253.14316	2.3
259.20621	2.3
261.18524	2.0
265.19781	2.1
267.15878	3.7
269.22632	1.5
271.16818	2.4
273.18594	8.3
275.20145	3.3
283.20392	3.2
285.16846	2.4
285.22156	3.0
287.19992	2.5
291.19470	8.0
297.21939	4.0
299.20178	2.6
299.23663	7.7
301.21603	4.5
309.21878	1.9
311.20065	2.4
321.22076	3.6
335.23657	2.3
336.77121	1.6
337.21619	1.8
339.23331	2.2
347.22150	3.5
351.23007	2.4
353.24719	2.7
357.24185	2.2
365.23349	4.1
371.25711	3.5
405.31638	1.8
415.29688	4.9
421.25665	3.6
429.21176	1.8
431.28027	1.7
433.31024	14.3
434.70590	1.6
443.27710	3.4
447.27032	1.7
447.44223	1.8
451.32037	11.7
453.33707	4.0
461.28970	2.6
469.33182	7.3
471.31589	1.9
483.34476	3.1
499.33566	2.6
507.34409	8.9
517.35138	19.0
525.35699	82.4
539.37274	3.3
543.36786	100.0
544.36877	2.4
557.38629	25.2
567.37097	1.9
575.39520	38.0
577.35455	1.6
633.37128	2.5
651.38708	2.9
679.40399	3.6
687.40472	5.2
705.41522	5.6
719.39813	6.4
737.44171	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	738.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05257	0.9
55.05504	12.3
57.03431	6.8
57.07070	2.0
61.02908	0.7
62.68890	0.7
65.03925	2.0
67.05495	44.9
69.03397	0.9
69.07059	12.1
69.89307	3.4
71.04978	2.6
73.06540	1.0
78.80130	0.8
79.05479	51.5
81.03397	6.2
81.07045	41.8
83.04972	9.1
83.08607	6.2
85.02872	1.2
85.06543	2.2
86.32715	0.7
91.04885	1.5
91.05466	40.0
93.07030	55.7
95.04952	13.7
95.08591	29.9
97.02896	1.0
97.06481	3.6
97.10139	2.9
99.08098	1.1
102.75870	0.7
105.04536	1.2
105.07017	28.0
106.30389	0.7
107.04952	3.3
107.08580	18.3
109.06496	4.4
109.10139	10.1
111.08089	1.5
117.06992	5.4
119.08559	18.6
121.06491	1.4
121.10132	10.0
123.08052	3.8
123.11690	1.1
127.07612	0.9
128.06178	1.1
129.07004	10.1
131.08551	5.1
133.10106	9.3
135.11668	4.9
143.08543	6.3
145.10094	7.7
147.08032	1.2
147.11667	24.3
149.13274	3.4
159.11705	2.5
161.09619	2.8
161.13237	7.6
163.14832	1.0
169.10085	1.4
171.11649	18.8
173.13297	2.8
175.14850	0.9
177.67531	0.8
179.14217	1.3
189.12721	7.7
207.13786	19.2
225.14815	1.1
229.15663	0.7
243.21054	1.0
256.85248	0.7
259.20340	0.7
261.22070	4.3
279.15891	2.4
281.17429	56.3
317.24744	1.4
335.25754	45.4
336.26028	1.7
449.34265	1.2
506.40686	0.9
541.38818	100.0
542.39050	3.7
559.39655	2.8
663.35138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73956	0.1
54.49587	0.1
56.05043	0.7
57.03422	0.2
57.07068	0.3
58.06363	0.2
58.06618	0.4
59.07395	0.1
60.08156	6.1
64.40684	0.1
67.05480	0.2
69.07073	0.2
70.06573	0.2
71.07364	3.5
71.08622	0.3
71.63799	0.2
81.03396	0.4
81.07056	0.4
86.09694	29.5
95.08569	0.3
98.98446	2.6
104.10732	2.1
124.99990	20.3
128.78773	0.1
141.11147	0.1
143.01004	0.4
157.09962	0.1
166.02670	0.2
184.07317	100.0
185.07642	0.2
236.52974	0.1
267.15836	0.5
313.27295	0.5
335.49612	0.2
344.86823	0.2
505.38458	0.3
688.45435	10.3
689.44458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01861	1.1
57.03413	0.7
61.02916	1.1
63.98144	0.2
65.03915	0.7
65.04252	0.2
67.01841	0.4
67.05482	0.4
68.99771	1.6
69.03423	2.9
69.80777	0.9
71.04980	0.5
73.02888	0.5
79.05457	0.3
79.85701	0.2
81.03398	1.3
83.04960	0.7
85.02896	7.9
87.04469	0.3
87.91029	0.2
91.03956	0.4
91.05451	0.4
93.03388	0.8
93.07018	0.2
95.04955	0.3
97.02873	2.7
98.20733	0.3
99.04442	0.4
107.04928	0.3
109.02817	0.9
111.00795	0.3
111.04437	3.2
115.05399	0.3
121.02881	0.3
123.04415	0.7
127.03918	1.3
131.04907	0.2
135.04408	1.7
137.02298	0.4
139.03882	100.0
140.04192	1.0
145.04945	1.0
147.04382	0.3
149.05974	0.5
151.03883	2.4
153.01813	10.5
154.94388	0.2
159.04387	0.2
163.03894	3.7
165.01859	0.5
167.03479	0.2
167.04990	0.2
171.03003	0.2
171.04385	0.4
173.05994	0.6
175.03960	0.4
177.05414	1.1
179.03384	1.7
181.01303	0.5
181.04936	5.8
183.02879	0.3
183.04382	0.4
185.05881	0.2
187.03893	0.6
189.05475	0.7
191.03377	0.7
195.02863	0.7
195.04527	0.3
199.03923	1.0
200.04703	0.5
201.05414	1.6
203.03329	0.4
205.04947	4.5
207.02864	1.7
211.03909	0.7
213.05484	0.8
215.03371	1.3
217.04955	0.7
219.06561	0.3
223.03712	0.2
225.05458	0.8
227.03386	1.0
228.04160	0.4
229.04935	3.3
231.02844	0.7
235.02333	0.3
235.05975	1.5
237.05426	0.5
239.03424	0.8
241.05000	0.9
245.04419	1.4
247.06036	1.1
249.05434	0.2
251.03426	0.2
251.06946	0.3
253.04887	1.2
255.02780	3.7
255.06563	0.2
256.03506	0.6
257.04352	1.6
263.07050	0.3
265.04688	0.2
265.07141	1.3
267.02823	0.6
267.06549	0.3
269.04459	1.0
270.05292	0.4
277.04974	0.2
279.03629	0.3
279.06409	1.2
281.04398	0.6
281.07959	0.2
283.08173	2.1
289.05023	0.4
291.06509	0.7
293.04480	0.5
295.02344	1.9
295.05933	0.5
301.09152	3.3
303.06348	0.3
306.05103	0.3
307.02615	0.4
307.05893	1.6
309.07611	0.4
311.05487	0.3
313.03387	2.2
317.04044	0.3
319.05908	1.8
321.03925	0.5
323.05383	0.3
325.07074	0.5
329.04578	0.3
330.05322	0.2
331.05887	0.2
335.05478	2.7
336.05896	0.2
337.07068	1.1
347.05435	2.5
349.07135	0.4
351.04996	0.5
353.06564	1.7
355.04388	0.3
357.03784	0.3
363.04898	6.0
364.05447	0.3
365.06485	2.4
375.04984	1.8
377.06458	0.4
378.03250	0.3
379.04489	0.3
381.06003	12.0
382.06491	0.6
387.05020	0.3
391.04449	4.6
392.05054	0.4
393.05954	2.3
394.06082	0.2
397.05600	0.3
403.04337	1.5
405.05807	0.4
409.05487	38.7
410.05966	2.0
411.07086	0.5
415.04996	0.3
420.04721	0.4
421.05469	6.7
422.06058	0.3
433.05402	0.8
439.06561	24.3
440.06827	0.8
451.06393	0.4
541.07788	0.2
559.00751	0.3
559.08710	3.9
577.00458	0.4
577.09656	7.6
601.10498	0.2
762.45184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01853	3.2
55.05249	1.3
55.05500	17.4
57.03435	10.7
57.07053	2.7
61.02905	1.4
65.03928	2.4
67.05494	48.9
67.56413	0.7
69.03425	2.4
69.06715	1.0
69.07060	14.3
69.35998	8.2
70.81106	0.6
71.04972	4.1
73.02905	1.7
77.03921	1.0
78.97907	0.6
79.05482	43.6
81.03397	2.8
81.07047	50.3
83.04966	5.3
83.08131	1.1
83.08610	12.8
85.02908	1.8
85.06523	1.5
91.05466	16.6
93.03393	0.8
93.07030	64.2
94.07356	0.9
95.04963	9.7
95.08591	63.8
96.08932	0.8
97.02877	5.5
97.06512	5.0
97.10159	2.2
99.04450	4.5
102.50598	0.7
105.07014	15.4
107.04945	9.2
107.08581	43.8
109.02880	0.8
109.06479	3.0
109.10132	12.8
111.04441	1.4
111.08060	1.7
117.07011	11.1
119.08567	18.7
121.06492	6.9
121.09291	1.5
121.10127	23.9
123.11705	3.6
125.05978	3.9
125.09596	0.9
129.06929	0.7
130.07733	2.0
131.08562	6.0
133.10120	8.5
135.08026	2.7
135.11676	60.7
137.09610	1.1
139.07507	1.8
143.08522	1.3
145.10098	36.1
146.10460	0.9
147.11668	4.1
149.13231	2.6
153.12801	0.8
159.11647	2.4
161.09619	0.7
161.13234	2.1
163.11156	70.2
164.11595	1.1
173.09563	1.5
173.13228	2.0
175.14812	0.8
177.16331	0.8
181.12206	10.2
184.07326	1.5
187.14844	1.0
190.34190	0.6
209.11575	2.0
227.12749	84.3
228.13139	1.0
232.35362	0.7
243.21075	2.2
255.76361	0.8
261.22122	7.8
277.01984	0.9
280.89194	0.8
283.15356	100.0
284.15775	0.9
317.24631	2.6
335.25745	93.4
336.25800	1.6
351.13467	0.7
364.33746	0.9
439.14993	0.8
543.36743	86.6
544.36975	4.2
561.37842	0.8
663.44879	0.9
742.29926	0.9
756.43451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.1
55.01863	2.5
55.02084	0.6
55.05507	11.8
57.03431	8.9
57.07044	1.1
59.04974	0.6
61.02893	0.6
65.03906	1.8
67.05498	39.0
69.03387	1.6
69.07060	11.5
70.20864	1.9
71.04987	2.4
73.02890	1.0
77.03891	0.5
79.05484	33.3
81.03379	1.8
81.07048	39.8
82.07339	0.5
82.48192	0.5
83.04963	3.1
83.08609	8.2
85.02861	0.8
85.06510	1.0
91.05466	13.2
93.03349	0.4
93.07034	44.7
94.07360	0.5
95.04441	0.5
95.04957	6.2
95.08595	46.7
96.08857	0.5
97.02879	3.0
97.06533	3.3
97.10129	1.8
99.04429	2.3
99.08070	0.5
103.05457	0.5
105.04479	0.6
105.07017	10.9
107.04954	6.3
107.08582	30.8
109.06522	2.0
109.09454	0.7
109.10143	12.7
111.04431	0.8
111.08042	1.2
113.05972	0.7
113.09589	0.5
117.06224	0.5
117.07007	7.9
119.08564	12.4
121.06499	4.0
121.10130	19.3
123.08018	1.1
123.11713	2.9
125.05973	2.6
127.07549	0.5
129.06886	0.5
130.07747	1.1
131.08556	4.6
133.10110	6.1
135.08064	2.1
135.11678	40.7
137.13177	0.9
139.07478	1.1
143.08496	0.6
145.10109	22.5
147.11665	3.0
149.13271	2.9
153.12656	0.8
159.11751	2.2
161.13225	1.9
163.11168	43.1
163.14784	1.4
164.11426	0.8
173.09570	0.9
173.13234	2.1
175.14755	1.1
177.16270	0.5
179.78563	0.4
181.12213	7.4
184.07224	1.3
187.14780	1.4
201.16463	0.6
209.11719	1.0
227.12755	51.0
228.13095	0.7
243.21114	2.2
261.22104	7.0
283.15369	54.2
284.15747	1.1
299.23663	0.5
317.24701	1.8
335.25760	100.0
336.26089	3.2
543.36761	85.9
544.37006	4.3
610.68274	0.5
719.45404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.01867	5.2
55.05506	17.0
57.03441	11.3
57.07058	1.4
59.04987	1.6
60.08160	2.5
60.78323	1.0
61.02911	3.2
65.03934	1.5
67.05499	34.4
69.03386	1.3
69.07064	7.2
71.04983	2.1
73.05840	1.1
79.05486	26.2
81.03400	8.9
81.07048	36.4
83.01343	6.9
83.04977	8.1
83.08607	12.8
85.02888	6.4
85.06522	1.8
86.09709	13.5
87.10026	2.6
91.05472	20.0
93.06457	2.4
93.07032	35.8
95.04948	7.4
95.08601	25.8
97.02879	4.8
97.06516	3.7
97.10155	4.3
99.04431	2.6
101.30534	1.0
101.51363	1.1
104.10717	1.1
105.07017	15.3
107.04920	4.9
107.08589	21.3
109.06503	4.2
109.10144	13.1
111.08098	2.4
117.06985	7.7
119.08575	12.6
121.06441	2.0
121.10139	16.0
123.08063	4.4
123.11697	4.0
124.99969	9.2
125.06057	1.7
125.09615	3.4
129.07008	1.4
131.08536	7.5
131.09351	1.2
133.10130	5.8
135.08005	1.3
135.11702	14.5
143.82875	1.2
145.03351	1.3
145.04544	1.1
145.10097	16.3
147.11676	4.1
149.09601	1.8
149.13197	4.3
153.12762	2.4
157.10123	1.5
159.11662	4.4
161.13217	3.1
163.11176	18.4
163.14781	2.9
171.11649	1.6
173.09650	2.7
173.13216	3.6
181.12186	2.5
184.07324	43.9
184.08975	2.2
185.07677	9.8
186.07739	3.6
187.14841	2.0
189.11342	1.5
191.10649	3.0
192.46584	1.2
193.12207	1.7
201.16263	1.4
209.11685	6.4
227.12732	7.7
243.21126	4.1
259.20630	1.6
261.22137	11.6
267.15829	1.6
283.15369	100.0
296.74612	1.3
299.23611	4.3
317.24701	4.0
333.24313	1.4
335.25763	67.6
369.66260	1.1
433.31058	1.6
451.31940	2.9
469.33426	2.6
525.35547	4.9
543.36774	49.9
544.37347	1.5
561.37720	3.5
690.46582	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	741.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01854	1.3
55.05508	5.6
57.03167	1.2
57.03431	11.4
57.04682	0.6
59.04994	1.1
61.02909	1.4
62.20903	0.6
63.57324	0.7
67.01858	0.8
67.05494	2.3
68.99776	0.9
69.03069	0.9
69.03421	13.7
71.01346	2.2
71.04984	74.3
71.61407	1.2
73.02905	10.0
75.04469	4.4
79.05452	0.8
80.61041	0.7
81.03411	2.1
83.04465	1.5
83.04969	30.2
85.02893	98.1
87.04469	2.9
95.04957	4.5
97.02898	1.5
97.06519	1.1
99.04445	6.4
100.70486	0.8
101.06005	1.1
103.04031	0.7
105.07006	0.9
107.05004	0.9
109.02879	2.2
111.00805	1.0
111.04431	22.3
113.06012	3.4
117.05492	8.5
121.02879	1.3
121.06491	1.7
123.04413	1.9
125.00011	0.9
127.03902	3.3
129.05466	31.3
129.44395	0.8
130.57339	0.7
135.04347	1.1
137.02315	10.7
137.05978	2.0
139.03886	1.1
145.05054	1.1
147.06517	9.4
153.01823	3.4
153.05408	6.8
157.04935	1.5
159.06548	1.3
163.03896	1.7
163.05995	9.0
165.01811	1.9
165.05510	0.7
171.06490	3.6
179.07091	0.8
183.06621	1.5
184.07336	3.0
191.03444	1.0
193.08554	0.9
195.02832	1.4
195.06493	0.9
201.05466	1.2
201.07562	2.3
203.06931	0.8
213.07585	1.9
221.08067	1.1
229.04912	3.3
231.08516	1.0
239.09114	11.3
243.06432	0.9
245.04167	1.1
247.06032	1.3
257.04446	2.6
257.10162	4.1
259.05920	0.9
271.05997	0.8
275.11191	5.0
285.03946	1.5
287.05469	3.3
293.12317	1.9
299.05463	2.6
302.04147	2.7
303.04956	100.0
304.05167	1.3
315.04919	17.8
316.05771	2.8
327.04926	6.1
341.06671	2.8
345.06000	33.0
347.40659	0.8
353.06500	1.2
357.05951	1.1
365.43286	0.8
367.08090	1.7
369.05945	9.0
371.07880	1.0
375.07037	1.0
387.07813	0.9
395.07413	5.6
409.08978	0.8
413.08627	16.6
431.09659	11.2
437.08890	1.0
449.10745	32.5
450.10663	0.7
455.08673	0.8
473.10654	2.8
491.11731	1.1
493.72662	0.8
541.13086	1.9
559.13940	2.0
577.15228	2.0
595.06757	1.1
595.16449	18.4
741.25732	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01866	2.8
55.05508	6.2
57.03432	6.6
62.91931	0.7
65.03943	1.3
65.38728	0.6
67.05499	14.6
67.05856	0.9
69.03425	7.7
69.07065	7.4
70.62830	2.1
71.04985	45.0
73.02895	1.7
75.04479	1.9
76.47704	0.6
79.05485	11.6
81.03399	3.1
81.07047	29.4
83.04974	4.1
83.08612	3.1
85.02893	44.7
85.06531	1.6
87.04466	1.3
91.05467	6.8
93.07027	5.3
95.04969	4.2
95.08602	5.6
97.02919	1.1
97.06528	1.5
98.06107	0.6
105.07025	6.3
107.04947	1.4
107.08578	3.3
109.02840	0.7
109.06508	2.1
109.10140	2.1
117.07013	2.3
119.08574	5.0
121.02850	2.3
121.06462	1.1
121.10155	2.9
123.04416	1.1
123.08054	2.1
123.11694	1.8
125.09644	0.7
127.03872	1.1
129.05476	8.8
131.08568	2.8
133.10133	2.8
135.11716	1.6
137.02324	34.3
140.73656	0.7
145.10072	1.4
147.06561	1.0
147.11668	4.5
149.09631	1.3
149.13269	1.0
153.01753	1.0
159.11714	1.4
161.02405	0.8
163.03929	2.6
163.11247	1.3
165.01888	2.3
165.12744	1.0
183.02887	1.9
185.06012	0.8
187.03932	1.3
187.14783	0.7
189.01822	1.4
191.03415	2.0
201.05385	0.8
203.03365	1.3
205.04985	0.8
207.02962	1.1
213.05371	1.6
217.04944	1.7
229.04967	2.8
237.05458	0.9
239.07086	0.7
241.04932	2.0
245.04428	2.3
257.04364	0.7
259.06024	2.0
267.06485	1.3
269.04407	0.9
273.03912	1.7
275.20102	2.8
283.05960	1.5
286.04807	1.2
287.05515	3.5
293.20728	0.8
295.05978	1.0
299.05450	8.7
302.04251	2.2
303.04941	19.6
304.05200	0.9
311.05328	2.0
312.06314	1.1
313.07025	3.3
315.04944	80.2
316.05554	6.0
323.05518	2.3
325.07129	2.2
325.57626	0.9
326.04297	4.0
327.04926	12.1
327.08563	0.8
328.05359	1.2
329.03049	1.1
329.06628	7.0
337.07147	2.7
339.04941	19.7
340.05630	4.1
341.02829	3.6
341.06613	14.2
341.10275	1.3
342.03473	1.0
343.04449	5.1
351.08713	1.5
352.05768	1.8
353.06549	14.1
354.07382	0.8
355.04324	1.6
355.08209	1.5
357.06113	1.8
363.09039	0.9
365.06448	7.8
365.10095	0.9
366.07425	2.1
367.04065	0.9
367.08215	2.3
369.05927	1.2
377.06522	1.8
378.07468	0.9
379.08142	7.7
379.11969	1.5
380.08835	0.9
381.06091	3.0
383.06631	1.0
383.11261	19.2
385.12692	7.7
389.06366	1.1
391.08170	1.6
393.09814	3.4
394.10477	2.2
395.11243	35.0
396.11392	1.1
403.07620	0.8
405.09598	1.7
407.07483	2.0
407.11566	14.2
409.12784	1.4
411.10815	2.9
419.11331	1.3
425.12128	1.3
433.13058	0.9
435.27188	0.8
437.12250	3.7
449.12280	1.0
459.14688	1.3
461.28912	2.7
462.29434	3.0
463.17667	1.6
475.17511	1.0
479.16977	2.0
487.13858	2.8
491.16974	4.6
503.17007	2.3
505.14032	4.4
507.16522	1.1
508.17468	0.8
509.18027	3.0
515.17078	2.0
521.18146	12.3
522.18420	1.0
523.19586	2.4
543.23853	2.1
549.24750	1.2
551.19031	0.8
559.14642	1.4
559.23145	19.5
561.24585	4.7
577.24274	100.0
578.24762	4.7
579.25989	2.4
583.21356	2.0
589.24084	2.8
595.25281	45.4
596.25775	3.1
601.24518	8.1
619.25671	6.9
625.24377	1.6
636.87213	0.9
643.25043	4.5
651.25513	3.3
661.25861	3.4
669.26813	9.7
670.27594	1.0
687.27887	9.9
705.28607	3.3
723.29730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01854	4.9
55.05503	21.5
57.03429	11.5
57.07054	1.1
61.02903	1.3
65.03943	1.8
67.05497	21.8
68.99809	1.7
69.03422	11.8
69.07063	8.9
71.04986	66.8
71.37042	2.6
73.02881	1.7
75.04460	1.7
79.05483	15.3
79.64597	1.1
81.03407	4.3
81.07050	19.0
83.04983	6.2
83.08614	12.2
85.02895	66.5
87.04453	2.9
91.05468	11.8
93.07028	14.2
95.04957	10.4
95.08595	12.7
97.06502	2.2
105.07002	10.3
106.15206	1.1
107.04958	4.5
107.08578	6.5
107.14545	1.0
109.02846	1.4
109.06505	1.9
109.10153	6.0
111.04427	3.0
111.08030	1.2
117.06994	3.8
119.08591	6.9
121.02845	4.8
121.06491	1.8
121.10122	4.3
123.04407	2.6
123.08090	1.5
123.11692	1.2
127.03901	3.3
129.05470	12.5
129.06995	1.3
131.08545	3.9
133.10138	5.8
135.04433	1.2
135.11676	2.7
137.02324	47.7
137.09608	1.5
143.08536	1.8
145.10132	5.4
147.04350	1.0
147.06483	1.8
147.11691	2.5
149.09575	3.4
153.01797	5.7
157.10193	1.3
159.11687	2.4
163.03909	5.6
163.11179	3.5
165.01854	3.5
165.12782	1.5
175.03864	2.1
177.01866	2.3
183.02826	2.7
185.05972	1.5
189.01776	2.2
191.03477	2.2
197.06026	2.4
199.03935	1.7
201.05525	2.5
203.03371	1.6
205.05052	1.8
207.02769	1.5
213.05431	2.6
215.03502	1.5
217.05017	1.9
225.05510	1.3
229.04921	6.9
239.06868	1.3
239.17905	1.6
243.06401	1.2
245.04401	1.7
247.05830	1.3
253.04836	2.2
255.06465	1.2
257.04459	3.9
259.05920	1.4
265.04706	1.3
273.03854	1.8
274.04620	2.3
275.20038	6.9
279.06479	1.7
283.06253	1.6
285.03903	2.4
287.05444	7.4
297.03705	1.4
299.05460	7.9
302.04242	3.2
303.04950	93.5
304.05267	1.9
311.05475	4.1
313.07056	3.3
315.04935	76.3
316.05515	2.7
316.90964	1.3
323.05386	2.0
325.07059	2.6
326.04208	4.6
327.04938	22.9
329.03165	1.3
329.06418	7.0
337.06958	2.8
339.04938	23.4
339.08267	1.4
340.05756	4.2
341.02811	1.7
341.06549	18.2
343.04562	1.5
345.06067	4.0
353.06540	17.0
354.07364	1.1
355.04285	1.4
355.07999	3.6
357.05963	2.6
363.08450	1.2
365.06461	10.5
366.07330	2.0
367.04263	3.1
367.08231	5.1
368.05042	2.2
369.05865	2.3
377.06534	3.5
378.07202	2.9
379.03976	1.8
379.08136	18.3
381.05945	3.0
391.08090	2.7
392.08618	2.5
393.09827	3.1
395.07462	4.5
403.08041	2.4
405.09540	3.2
407.07529	3.4
409.12729	4.4
421.08820	1.3
421.12943	13.2
423.14310	3.3
425.12323	5.7
445.08719	1.2
449.16492	2.3
461.15656	1.5
465.15131	3.6
467.16959	32.3
468.17505	1.2
485.18210	15.5
489.15479	3.3
491.17068	6.4
507.16443	17.5
509.17877	4.8
513.15881	1.4
521.17767	1.8
531.16199	1.4
543.23761	1.7
551.18365	1.7
559.23352	19.6
561.24518	5.6
577.24310	100.0
578.24475	4.3
579.25690	3.4
583.22919	4.0
589.24152	9.2
595.25336	95.1
596.25592	4.1
601.24261	11.1
617.20129	2.6
619.25281	14.4
643.25085	3.7
651.25940	9.1
653.11542	1.2
661.26038	7.7
669.26831	21.1
687.27911	17.4
705.28925	3.9
723.29755	2.2
741.34558	7.1
744.06598	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.1
55.01868	2.0
55.02060	0.5
55.05511	3.7
57.03429	7.4
57.08033	0.4
61.02898	0.4
65.03883	0.5
67.05499	6.4
69.03377	1.5
69.07059	3.6
70.67714	0.7
70.68044	0.9
71.04984	46.4
71.05350	1.6
73.02866	0.9
73.05793	0.4
75.04428	1.7
77.23276	0.4
79.05484	5.0
81.03378	1.0
81.07049	11.5
83.04992	2.0
83.08559	1.4
85.02895	45.9
87.04424	1.3
90.17661	0.4
90.94230	0.4
91.05469	3.3
93.03374	0.4
93.07049	2.9
95.04915	1.7
95.08601	3.6
97.06477	1.2
105.07014	3.6
107.04929	0.7
107.08537	1.7
109.06495	1.0
109.10105	1.3
111.04383	1.2
117.06988	0.4
119.08553	2.7
121.02813	1.3
121.10137	2.3
123.04346	0.4
123.08015	1.6
123.11675	1.8
129.04604	0.6
129.05467	9.2
129.06940	0.8
131.08517	0.6
133.10046	0.7
133.73531	0.4
135.11673	0.4
137.02318	15.1
137.03386	0.8
141.01750	1.6
141.07013	0.5
145.10060	0.5
147.06514	1.0
147.11632	1.8
149.02252	0.4
149.05988	0.5
151.03854	0.4
153.01802	0.8
163.03825	1.7
165.01741	1.6
165.12784	0.6
173.05899	0.5
175.03845	0.6
177.01859	0.7
183.02852	1.9
185.05913	0.5
187.03752	0.9
189.01808	0.5
189.05435	0.6
191.03403	0.7
197.05894	0.4
203.03470	0.8
205.04785	0.4
207.02844	1.1
221.04248	0.7
223.07346	0.5
229.04889	0.8
231.06456	0.7
239.06950	0.7
241.04921	2.0
259.05997	0.7
267.06403	0.6
273.03870	0.8
275.19989	0.9
283.05875	1.4
285.03922	0.7
287.05481	1.5
293.21130	0.6
295.06027	1.0
299.05374	1.4
302.04144	1.0
303.04929	7.0
307.06140	0.6
311.05432	2.6
313.06982	1.0
314.04117	0.6
315.04944	100.0
316.05276	3.1
323.05487	0.7
324.06232	0.4
325.06894	1.0
326.04251	1.1
327.04938	7.1
328.05719	0.7
329.02872	0.7
329.06433	5.4
337.06836	1.2
339.04950	14.2
340.05750	3.3
341.02859	1.8
341.06534	12.6
342.07037	0.6
343.04443	0.9
343.08292	0.6
349.07013	0.7
351.08527	0.8
353.02911	0.3
353.06552	9.1
354.07202	0.7
355.04291	1.0
355.08157	1.4
357.06058	5.4
361.06497	0.6
365.06522	3.2
366.07108	1.4
367.08170	1.9
369.05896	0.9
377.06558	1.3
378.07242	0.7
379.08044	5.1
380.08850	0.5
381.05933	1.5
383.11258	16.9
384.11813	0.5
385.12784	1.7
391.08044	1.8
393.09732	2.8
394.10251	1.0
395.11252	32.2
396.11594	1.2
403.07867	0.7
405.09656	1.2
407.07599	0.7
407.11530	6.1
411.10834	3.3
419.11276	1.1
421.12912	0.6
425.08154	0.7
425.12958	0.6
433.12811	0.8
435.14529	0.6
437.12158	2.0
449.12430	0.7
463.17435	3.3
475.17880	0.9
479.17368	0.9
481.19604	0.5
485.15994	0.6
491.17035	10.0
492.17239	0.5
493.15488	0.5
503.17087	1.6
505.18713	0.9
509.17990	4.4
511.16263	1.7
521.18140	3.3
523.19385	1.8
531.23920	1.4
533.17578	0.5
559.23254	15.4
577.24274	85.0
578.24646	3.6
583.22443	0.5
589.24274	1.6
595.25311	59.3
596.25726	2.0
601.24341	2.2
619.25458	7.7
637.25012	2.2
643.24933	1.9
661.25800	1.1
669.26703	1.6
687.27765	3.8
705.28564	3.9
723.29675	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	741.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01854	1.3
55.05260	0.3
55.05507	5.1
57.03432	3.1
57.35024	0.3
59.04379	0.3
59.04979	0.5
61.02923	0.4
62.83905	0.3
63.94067	0.3
65.03913	0.7
67.05164	0.4
67.05501	6.6
68.99799	0.8
69.03431	2.4
69.07068	2.0
70.83840	0.6
71.04987	21.4
73.02905	0.4
75.04462	0.8
79.05479	4.8
81.03401	1.7
81.07052	4.9
83.04984	1.5
83.08612	3.2
85.02898	21.4
87.04455	0.6
87.73140	0.3
91.05467	3.8
93.03395	0.4
93.07037	4.4
93.73710	0.3
95.04431	0.5
95.04970	7.0
95.08601	3.8
97.06515	1.0
97.10149	1.0
99.04451	0.4
103.05475	0.3
105.04531	0.3
105.07015	4.0
107.04961	1.6
107.08607	2.6
109.02860	0.9
109.06512	1.0
109.10146	1.9
111.00789	1.0
111.04446	0.8
111.08087	1.3
117.07008	1.8
119.08579	3.2
121.02848	1.3
121.06486	0.7
121.09569	0.2
121.10156	2.3
123.04400	1.2
123.08072	0.7
123.11657	0.3
125.09619	0.8
127.03881	1.7
129.05472	4.3
129.06932	0.6
130.68478	0.3
131.08574	1.6
133.06471	0.5
133.10109	2.8
135.08018	0.7
135.11737	1.6
135.12537	0.3
137.02328	11.1
137.03392	0.6
137.09644	0.4
139.11128	0.4
143.08508	0.4
145.06473	0.5
145.10109	3.1
147.06583	0.6
147.08028	0.7
147.11707	1.8
149.02345	0.7
149.09616	4.4
151.11188	0.4
153.01813	4.6
153.08994	0.4
155.08510	0.6
157.10187	0.4
159.08133	0.3
159.11676	1.7
161.05980	0.6
161.09573	0.3
161.13283	0.3
162.19829	0.3
163.03911	1.5
163.11166	4.3
165.01837	3.1
165.12732	0.7
169.10190	0.5
171.02866	0.4
171.11723	0.4
173.05864	0.5
173.09520	0.4
173.13165	0.6
175.11267	0.3
177.12714	0.6
178.09700	0.3
183.02960	1.5
183.04366	0.6
184.07375	0.4
187.03876	0.8
189.01790	0.3
189.11179	0.4
189.12723	0.4
191.03331	0.4
195.02856	0.5
199.03751	0.3
201.05473	2.4
205.12225	0.3
207.02823	0.5
223.13245	2.2
228.04199	0.5
229.04958	5.4
239.17944	0.9
241.04951	0.4
247.05928	0.7
247.20471	0.4
257.04419	4.1
257.19064	1.5
271.06036	0.4
273.03900	0.5
274.04614	2.2
275.20053	5.9
285.03732	1.6
287.05252	0.3
293.21133	2.7
299.05444	1.0
301.03284	0.4
302.04205	3.7
303.04971	100.0
304.05368	2.1
311.05600	0.5
313.06927	0.6
315.04950	12.1
316.05682	1.4
325.07208	0.3
326.03845	0.4
327.04984	4.0
329.06482	1.2
339.05014	3.6
340.05853	0.6
341.06564	1.7
343.04453	1.0
345.06033	8.3
353.06509	2.6
357.05835	1.6
367.08115	1.2
369.06152	2.0
377.06512	0.6
379.08026	1.7
393.09732	0.4
395.07639	1.8
409.12799	0.4
413.08609	4.0
421.12921	0.6
423.13885	0.3
431.09860	2.3
433.12976	0.3
449.10785	2.0
451.13919	1.2
467.16971	1.3
469.14551	0.8
485.17844	0.8
489.15656	0.5
491.16721	0.4
507.16470	9.8
509.17572	0.4
543.37024	0.4
549.17249	0.5
559.23169	4.4
577.24292	29.7
578.24310	1.1
581.05255	0.4
589.24017	0.4
595.25323	10.4
596.25415	0.6
601.23975	1.4
607.25256	0.4
619.25531	2.7
637.26019	0.4
643.25397	0.4
669.25555	0.5
687.27417	1.3
705.28461	1.5
723.30103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
54.20264	1.0
54.50650	0.8
55.01863	3.5
55.05505	8.0
57.03435	7.0
60.79810	0.9
65.03917	2.2
67.05499	21.2
68.99778	2.1
69.03419	4.2
69.07060	8.5
70.84841	3.7
71.04984	35.0
75.04465	1.2
79.05481	14.9
81.03402	2.2
81.07045	40.3
83.04967	4.0
83.08611	3.1
83.77866	1.0
85.02892	32.2
85.06548	1.4
87.03101	1.0
91.05466	11.0
93.07034	11.6
95.04950	4.7
95.08595	11.9
97.02909	1.7
97.06482	1.6
105.07019	11.3
107.04954	3.1
107.08579	5.4
109.02868	1.6
109.06550	5.2
109.10116	5.3
111.04423	2.0
111.08023	1.7
115.94682	1.0
117.07015	2.9
119.08546	7.6
121.02878	2.8
121.10101	6.8
123.04439	1.7
123.08047	1.1
123.11708	3.2
127.03906	3.5
129.05478	5.9
129.06990	1.3
131.08562	4.6
133.10095	3.1
135.08023	1.0
135.11696	1.7
137.02324	22.3
137.03334	0.8
138.02811	1.2
145.10114	2.9
147.06473	1.2
147.11668	5.0
149.02327	1.5
149.09648	1.9
151.11165	1.1
153.01819	6.6
157.10103	1.4
159.11658	1.6
160.85135	1.0
163.03966	2.9
165.01846	3.5
165.12717	1.1
171.02785	1.8
171.11633	1.3
175.11212	1.6
183.02885	2.2
188.04150	1.0
195.02904	1.5
201.05400	3.1
203.03273	1.4
207.02907	1.5
217.05042	1.3
219.06540	1.4
229.04907	5.6
245.04591	1.9
247.06024	1.3
257.04471	4.0
259.05981	1.3
273.04044	2.7
274.04623	2.3
275.20056	6.6
285.03912	3.5
287.05408	5.7
299.05566	3.2
301.03381	3.8
302.04202	3.3
303.04956	100.0
304.05334	2.4
313.06912	2.2
314.04480	1.1
315.04904	26.2
316.05609	2.0
326.04123	1.9
327.04984	14.6
329.02899	1.9
329.06491	2.2
339.04922	7.7
340.05908	1.9
341.06567	6.2
343.04584	1.8
345.06021	8.4
353.06494	6.3
355.04352	1.5
357.06064	1.6
365.06418	2.3
367.08163	2.3
369.05988	4.0
377.06439	1.3
379.08206	2.7
383.11163	2.4
393.09604	2.3
395.07413	3.3
395.11505	22.2
407.11310	8.7
411.10690	4.9
413.08493	3.5
437.12308	3.2
449.12360	1.2
463.17056	1.6
491.16782	3.2
509.18073	1.8
559.23163	12.6
561.37280	1.4
577.24261	84.2
578.24603	2.4
589.24048	3.3
595.25287	45.0
596.25452	1.9
601.23999	7.5
607.25073	3.9
619.25214	19.8
625.24243	1.6
637.26459	1.3
643.25165	3.2
661.26538	2.7
667.81287	1.4
669.26862	5.1
687.27887	5.3
705.28723	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01863	1.8
55.05505	17.4
57.03439	4.3
59.04997	0.5
65.03938	0.6
65.15135	0.5
67.05502	6.4
69.03426	2.7
69.07062	4.4
70.46490	1.9
71.04984	27.3
72.59598	0.5
75.04468	0.7
79.05484	5.0
81.03405	0.8
81.07048	7.0
83.04974	1.5
83.08610	9.2
85.02895	25.7
87.04449	1.0
91.05471	3.4
93.07043	4.3
95.04970	2.6
95.08599	8.8
97.06517	0.7
98.21329	0.7
98.63183	0.5
99.59441	0.5
105.06985	2.6
107.04945	1.1
107.08597	1.7
109.06541	1.0
109.10137	2.1
111.04427	0.7
111.08036	0.9
113.09637	2.4
115.61365	0.5
117.07079	0.8
119.08592	1.7
121.02860	1.4
121.06492	0.5
121.10151	1.7
123.04468	0.8
123.08038	0.6
127.03907	0.6
127.53004	0.6
129.05472	4.7
129.06981	0.6
131.08574	1.0
133.10081	1.3
137.02328	18.2
137.03339	0.7
140.08589	0.5
140.89934	0.5
145.10114	1.1
147.06538	0.5
147.11667	1.2
149.02328	0.7
149.09605	0.9
153.01845	1.1
159.11658	0.9
161.02361	1.0
163.03918	0.9
163.11221	1.0
165.01816	1.0
165.59503	0.5
167.03308	0.5
175.03864	0.7
179.03528	0.5
181.34584	0.5
183.02960	0.7
187.03850	0.7
189.01843	1.8
191.03407	1.1
201.10481	0.6
203.03383	1.2
207.02762	0.8
217.05008	1.1
229.04980	1.4
229.80508	0.5
237.05560	0.7
238.50810	0.5
257.04425	0.7
259.05981	0.9
265.04956	1.3
267.06509	0.7
273.03796	0.7
275.20105	1.1
283.06036	2.2
286.70782	0.5
287.05469	1.4
298.04529	0.6
299.05466	7.6
301.03387	1.7
302.04205	1.9
303.04926	11.9
311.05435	3.7
313.03650	0.7
313.07098	2.1
315.04944	19.1
316.05511	1.2
323.05627	1.1
325.03467	0.6
325.07074	2.2
326.04214	0.9
327.05008	7.2
327.08578	0.9
329.03073	0.8
329.06509	3.7
337.06921	0.8
339.04953	35.3
340.05719	3.0
341.06531	12.0
341.10657	0.6
342.07007	0.6
343.04147	0.6
343.08035	1.2
345.06110	2.1
352.05676	1.0
353.06509	10.7
355.08041	1.0
365.06369	3.0
367.08200	2.3
369.05908	1.1
377.06409	0.9
379.08224	2.3
381.05911	1.4
395.07553	1.5
395.15036	1.4
407.07593	1.1
423.14334	2.8
433.13324	1.0
435.14169	0.8
439.17627	1.4
451.13837	24.9
452.14288	1.3
463.13785	0.7
465.15292	3.5
467.16992	3.8
469.14890	5.7
475.13889	3.4
481.15030	2.1
483.16495	1.5
489.15579	0.7
491.17120	2.3
493.15018	2.0
507.16272	1.4
509.18289	0.8
515.16876	0.9
517.14435	0.6
543.16699	0.8
549.25232	1.1
559.23254	1.7
561.17279	0.7
568.45776	0.6
577.24286	30.9
578.24475	1.0
579.26135	0.8
589.24475	2.4
595.25299	100.0
596.25586	4.9
601.24365	4.6
607.25287	6.7
619.25317	10.5
619.34442	0.4
637.26294	14.8
638.26648	0.8
643.25726	1.7
661.26196	8.4
662.26459	0.6
669.27161	2.9
687.27820	9.8
705.28955	8.6
723.29321	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	741.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43811	0.5
53.03931	1.7
55.01849	1.8
55.05505	13.5
57.03431	6.5
59.04987	0.5
61.02907	0.9
67.05499	9.3
69.03416	1.9
69.07056	3.3
71.04984	47.0
71.61633	0.8
73.02898	1.3
75.04454	1.5
78.15336	0.6
79.05482	6.5
81.03396	2.1
81.07042	9.6
83.04968	3.1
83.08603	7.2
85.02893	46.8
85.06545	0.5
86.09708	0.8
87.04457	1.6
91.05465	6.0
93.07040	7.9
95.04962	4.3
95.08595	4.6
97.06489	1.3
101.05989	0.5
105.07023	4.9
107.04939	1.6
107.08589	4.0
109.02807	0.7
109.06507	1.1
109.10128	2.8
111.04430	1.6
111.08035	1.0
117.07005	2.1
119.08553	3.9
121.02858	1.5
121.06449	0.8
121.10122	1.9
123.08040	0.6
125.09637	1.0
127.03903	0.7
129.05484	8.4
129.06960	1.1
130.07605	0.6
131.08536	2.3
131.25310	0.6
132.27351	0.7
133.10100	2.7
135.04395	1.0
135.11696	1.1
137.02332	13.1
137.03387	0.9
137.09564	0.7
141.01791	1.6
143.08545	0.6
145.10095	2.6
147.06480	1.4
147.11647	1.1
149.02267	0.6
149.09584	1.8
153.01743	1.4
159.11691	2.0
163.03893	2.3
163.11098	1.1
165.01840	2.2
171.11674	1.0
183.02869	2.2
184.07390	1.2
187.03802	0.8
191.03271	0.9
200.25342	0.6
201.05487	1.0
203.03336	0.7
207.02869	0.7
213.05461	1.7
217.04918	0.6
225.05357	0.7
229.04921	2.7
233.04306	0.6
241.04918	1.6
246.82458	0.6
247.06100	0.7
257.04364	1.1
259.05865	1.1
275.20065	2.4
283.05829	1.0
287.05423	2.0
293.21039	1.1
299.05533	1.4
302.04227	1.1
303.04953	23.8
304.05225	0.8
311.05417	2.2
315.04941	100.0
316.05429	3.7
325.07040	1.5
327.05020	7.9
328.05542	1.5
329.02826	1.5
329.06516	6.5
331.04446	0.7
337.07175	0.9
339.04950	13.3
340.05566	2.1
341.02771	1.4
341.06497	8.3
345.06055	1.8
351.08548	1.0
353.06488	11.6
354.07178	0.7
355.04376	1.5
355.08289	1.2
357.05963	7.2
365.06476	4.4
366.07059	0.8
367.04245	1.9
367.08035	1.9
368.05191	0.6
369.05914	1.0
371.07471	0.6
377.06558	1.8
378.07083	1.1
379.08081	11.5
379.12662	0.9
380.08453	0.7
381.05917	1.8
381.10022	1.3
383.07343	1.3
391.08112	2.1
392.09000	0.7
393.09586	2.6
395.07468	1.1
403.08188	0.9
405.09808	1.8
407.06708	1.0
407.11786	2.6
409.12717	5.5
419.11487	0.8
421.12955	5.9
425.08264	0.9
447.14346	1.4
449.16000	2.0
461.15997	0.8
465.15411	0.9
467.16989	10.8
471.14676	0.6
473.16138	0.9
477.15311	0.8
479.16986	0.7
485.11792	0.7
485.18039	8.4
489.15424	2.6
491.16901	1.4
507.16406	5.0
509.17725	1.4
531.24048	0.9
541.22205	0.9
549.17255	0.9
559.23163	16.5
560.23346	0.9
577.24255	69.6
578.24750	3.2
589.24597	1.2
595.25299	70.2
596.25464	2.3
601.24188	2.7
613.22577	1.3
619.25269	8.4
637.26428	4.1
643.24854	1.3
661.25824	1.3
669.26312	1.7
687.27716	4.3
705.28656	4.8
723.30048	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	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01852	2.5
55.05507	25.3
57.03429	17.2
57.07073	2.9
61.02933	3.3
65.03925	4.3
66.71494	1.8
67.05497	81.5
69.07066	27.9
71.04987	4.3
71.61778	3.1
73.02905	2.6
73.06537	1.9
79.05485	66.0
81.03414	10.2
81.07048	100.0
82.07368	2.0
83.04963	8.5
83.08615	22.5
83.94952	2.0
85.02891	5.1
85.06531	4.0
86.09707	5.4
91.05470	63.5
93.07034	72.5
95.04951	13.8
95.08595	42.7
97.02868	2.3
97.06504	9.9
97.10191	3.2
99.04442	2.1
99.08066	4.5
105.04538	1.9
105.07018	51.8
107.04955	2.4
107.08574	45.4
109.06506	5.0
109.10135	13.3
111.08084	5.3
115.05460	3.1
117.06998	23.3
119.08572	43.5
121.06521	5.0
121.10128	25.9
123.11741	9.0
125.00015	3.0
129.07007	7.3
131.08554	29.4
133.09117	2.3
133.10118	46.9
135.11674	21.8
142.07654	1.8
143.08542	11.1
145.10117	17.0
147.08170	2.0
147.11678	36.6
149.09546	4.1
149.13234	22.5
151.11220	2.3
157.10089	9.9
159.11670	26.0
161.13228	17.7
163.11127	2.6
163.14801	3.1
165.12718	2.7
171.11629	9.0
173.13232	11.0
175.11237	2.8
175.14830	8.8
177.12778	4.7
183.11719	2.9
184.07350	14.1
185.13271	6.3
187.14833	4.1
189.16350	2.2
195.13785	19.3
199.14774	5.7
213.14781	3.5
231.21077	5.6
241.19525	24.1
259.20541	76.8
260.21057	2.0
261.22235	4.0
267.15842	18.4
269.17444	92.3
270.17966	3.3
285.16953	5.3
311.25885	4.3
313.49838	2.2
315.23123	5.6
333.24203	87.0
335.25873	15.1
417.31427	2.6
435.32565	4.9
453.33527	4.3
509.36227	3.2
527.37238	77.6
545.38318	29.8
611.01422	2.3
635.39172	2.8
671.41406	2.6
742.41803	3.7
764.96710	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91878	0.4
53.03943	1.9
55.01867	2.1
55.05506	17.8
56.88810	0.4
57.03429	14.6
57.07061	1.6
61.02913	4.4
65.03922	2.1
66.04710	0.4
67.05495	50.5
69.03416	3.9
69.07057	13.7
71.01356	0.5
71.04980	4.4
71.08636	0.5
71.62698	0.6
71.63104	0.6
73.02919	0.9
77.03922	0.7
79.05482	38.9
81.02914	1.0
81.03407	43.7
81.07045	56.5
83.04969	11.5
83.08608	19.0
85.02892	18.5
85.03421	0.6
85.06543	2.6
85.06982	0.5
86.09711	0.6
91.03939	1.7
91.05466	31.8
93.07030	39.6
95.04956	19.9
95.08592	32.8
97.02877	4.9
97.06516	4.1
97.10147	4.5
98.21349	0.5
99.04437	0.4
99.08086	1.8
105.07015	23.0
107.04935	4.2
107.08578	21.6
109.06499	5.0
109.10139	14.1
111.04443	1.9
111.08070	8.1
113.05965	1.9
115.05451	1.6
117.07002	4.6
119.08564	18.8
121.06509	1.7
121.10123	18.9
123.08054	3.1
123.11676	5.3
124.99975	0.8
125.09623	1.6
127.03909	0.7
127.07529	0.6
128.06186	0.6
129.05482	0.6
129.06990	8.5
131.08557	13.9
131.34323	0.4
133.06519	2.0
133.10114	12.1
135.08090	0.9
135.11678	8.2
137.09608	1.6
137.13235	1.3
142.07729	1.9
143.08539	0.7
145.10101	5.6
147.08018	2.3
147.11665	14.3
149.09583	5.1
149.13261	4.4
151.11200	0.8
151.14778	0.4
153.12804	0.5
155.08528	0.8
157.10107	12.3
159.11649	4.5
161.13225	3.3
163.11192	1.2
163.14821	1.4
165.12723	2.6
171.11655	0.7
173.11855	0.7
173.13225	3.5
175.11151	9.5
175.14825	0.9
177.16347	0.5
179.14388	0.5
184.07304	2.4
185.13263	0.7
187.14815	1.9
193.12215	29.3
201.16386	0.4
206.79880	0.4
209.15617	0.5
211.13263	43.7
227.12749	0.6
233.22702	0.7
241.19659	0.4
243.21097	3.1
245.13667	0.4
259.20575	0.4
261.22113	9.8
267.15875	13.3
269.17404	0.5
269.82797	0.4
285.16919	47.7
299.23544	0.8
301.25232	1.2
317.24689	2.2
333.24460	0.5
335.25751	83.6
336.26166	1.2
435.32513	1.7
453.33826	2.0
456.40335	0.4
471.34528	0.6
473.32745	0.5
509.36398	0.7
527.37238	13.2
545.38312	100.0
546.38678	1.8
563.39606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
54.50538	0.7
55.01854	2.9
55.05260	1.4
55.05503	18.5
56.43301	0.9
57.03429	16.1
57.07057	1.6
59.04992	0.8
61.02921	6.2
63.12330	0.9
65.03927	1.9
67.05494	48.8
67.56420	0.7
69.03416	3.6
69.06715	1.0
69.07059	12.8
71.04984	4.6
73.02927	0.9
77.03873	0.9
79.05482	39.3
81.03407	52.2
81.07047	53.3
83.04975	12.4
83.08125	1.5
83.08607	24.7
85.02892	22.8
85.06531	3.0
91.03933	1.0
91.05468	32.3
93.07034	42.4
95.04954	28.1
95.08592	33.0
97.02864	3.4
97.06506	4.8
97.10169	4.7
98.21113	5.0
99.08092	1.3
105.07016	28.4
107.04935	5.9
107.08577	20.7
109.06503	4.7
109.10148	12.2
111.04391	2.2
111.08070	9.8
113.05980	2.6
115.05458	2.0
117.06989	3.4
119.08569	21.4
121.06508	1.1
121.09305	1.3
121.10128	19.1
123.08067	2.6
123.11690	5.4
125.09627	1.5
127.03834	1.0
127.07506	0.9
129.06981	9.4
129.12819	0.8
131.08556	16.6
133.06458	2.3
133.10121	13.9
135.11676	7.5
137.09579	2.3
137.13216	1.2
142.07774	1.9
143.08516	1.7
145.10117	6.8
147.08020	1.8
147.11667	15.2
149.09563	5.2
149.13246	4.4
157.10103	13.4
159.11674	3.6
161.13226	2.5
163.11172	1.4
163.14748	1.9
165.12772	2.8
173.13258	3.4
175.11182	13.4
175.14857	1.3
176.11623	0.8
187.14798	1.6
189.16360	0.9
193.12215	41.0
194.19507	1.0
211.13266	74.6
212.13692	1.2
227.12724	0.9
243.21083	3.9
261.22141	9.8
267.15875	13.7
285.16919	81.9
286.17346	2.0
301.25241	1.3
303.28879	1.0
317.24722	2.8
335.25751	79.3
336.26215	1.9
359.25522	0.9
377.58908	1.0
417.31326	1.1
435.32300	1.8
453.33267	2.7
503.52875	0.9
509.36157	0.9
527.29730	1.3
527.37311	12.8
545.38312	100.0
546.38519	6.4
585.70459	0.8
773.71490	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01855	1.9
55.05503	21.0
56.56315	1.5
57.03429	14.7
57.07069	5.1
59.75427	1.6
61.02913	2.7
61.69170	1.3
64.09312	1.3
65.03934	3.2
67.05495	83.4
68.42003	1.3
69.07059	29.4
69.64375	7.6
69.64795	4.1
71.04973	6.6
71.08633	2.6
79.05482	62.2
81.03412	5.9
81.07045	100.0
83.04970	7.2
83.08602	19.5
85.02917	3.7
85.06543	4.9
86.09723	3.8
91.04881	2.0
91.05467	66.9
93.07030	83.7
95.04961	9.0
95.08590	39.5
97.02905	2.5
97.06525	10.8
97.10147	5.3
98.21313	4.1
99.08086	4.0
105.07015	58.9
107.04885	2.1
107.07848	2.7
107.08575	53.6
109.06497	5.1
109.10152	12.5
111.08068	6.2
113.09659	1.6
115.05445	1.7
117.07003	21.9
119.08563	50.8
121.06477	1.9
121.10123	30.8
123.08025	1.9
123.11678	5.5
124.99994	2.9
125.09651	1.9
128.06213	3.2
129.06966	7.6
131.08549	29.6
132.79518	1.5
133.10114	48.4
134.80571	1.5
135.08046	2.9
135.11667	22.7
139.11171	2.3
139.63223	1.7
142.07721	1.8
143.08553	9.6
145.10106	17.9
147.10504	2.3
147.11667	43.9
149.09561	2.3
149.13242	32.5
151.11105	2.0
157.10095	7.9
159.11682	26.3
161.13251	31.2
163.11156	1.8
163.14809	3.7
164.37376	1.7
165.12727	2.9
169.10033	1.9
171.11665	14.0
173.13258	12.6
175.14784	13.2
177.12730	7.7
184.07286	12.5
185.13205	12.5
187.14848	2.6
195.13799	14.2
197.13249	2.8
199.14839	6.7
201.16435	2.0
204.47293	1.5
213.14517	1.8
213.16425	3.1
215.17790	1.9
231.21037	6.1
235.06032	1.3
241.19495	27.3
241.21933	2.0
243.15433	1.6
243.21010	1.9
257.18933	1.9
259.20544	77.7
261.22217	2.0
267.15900	14.5
269.17441	92.3
291.46930	1.5
298.20544	1.4
311.25726	3.0
315.23056	5.7
333.24173	59.3
335.25793	2.2
435.32462	4.5
453.33569	5.0
471.34512	2.4
509.36166	3.5
517.38623	2.5
527.37250	82.3
545.38196	20.6
660.06903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05513	1.5
57.03433	1.7
61.02922	5.0
67.05500	4.7
69.03417	3.1
69.07076	1.5
73.01553	0.6
73.02907	3.3
79.05489	4.8
81.03442	1.0
81.07054	6.0
83.04977	0.8
85.02908	5.9
91.03940	3.3
91.05474	3.9
93.07043	4.9
95.04958	0.7
95.08596	4.1
97.02878	5.0
99.04470	0.9
101.02372	1.8
105.07048	2.5
107.08597	1.5
109.02859	0.9
109.10167	1.3
113.23896	0.6
119.08627	1.8
121.10161	1.8
127.03906	0.9
133.10185	1.1
145.10100	1.1
147.11719	1.0
161.13260	0.8
171.11707	0.8
185.07625	0.7
229.46063	0.8
243.08521	1.8
247.13145	1.4
375.19785	0.7
465.20950	3.7
519.29205	7.6
743.43347	100.0
744.43347	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	744.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.1
55.47591	1.3
57.03436	8.2
57.07055	3.1
59.04994	3.1
59.27032	1.0
61.02910	3.2
67.05498	86.4
69.07050	8.2
70.81919	3.0
70.82276	2.1
71.04979	20.1
73.02905	1.6
79.05483	26.7
81.03413	2.9
81.07046	36.1
83.04961	4.3
83.08624	6.2
85.02892	3.7
85.06527	3.9
86.09683	2.2
91.05473	18.9
93.07029	36.6
95.04948	4.7
95.08596	28.8
97.06520	4.4
97.10162	2.9
105.07009	9.3
107.08577	18.8
109.06490	2.8
109.10143	63.6
111.08046	3.4
117.06993	4.2
119.08569	14.4
121.10134	16.9
123.11675	2.0
125.09652	1.3
131.08543	5.1
133.10123	6.5
135.11682	13.7
137.09613	8.4
145.10144	7.8
147.11674	3.4
149.13249	2.7
155.10649	2.2
156.87700	1.3
159.11671	2.8
159.23314	1.2
161.13318	1.9
163.11201	2.9
168.09489	1.3
173.11723	8.1
173.13245	3.0
181.12053	2.1
184.07301	3.5
187.13220	1.6
187.14816	1.6
206.48866	1.2
211.13359	1.3
213.14946	1.7
214.59550	1.1
227.12778	1.7
243.15907	1.8
255.15941	5.3
261.22055	4.3
266.10132	1.2
269.17426	1.5
287.18488	18.8
313.27167	1.5
335.25778	31.1
384.57422	1.4
443.08676	1.4
471.35156	2.8
489.35699	100.0
490.36069	3.1
503.36887	2.0
515.37213	12.6
533.37860	2.2
547.39880	78.3
548.40125	4.3
683.27667	1.5
744.45947	1.9
745.40564	3.7
772.27051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96108	0.3
53.03937	0.6
55.01875	0.4
55.05493	1.1
57.03434	2.3
57.07050	0.3
59.11295	0.3
61.02919	6.1
67.05496	5.6
69.03418	2.9
69.07064	1.5
71.01350	0.6
71.04990	0.8
73.02905	3.9
73.50033	0.3
75.04487	0.4
79.05482	3.5
81.03410	2.8
81.07051	4.8
83.08604	1.1
85.02895	5.6
87.04479	0.4
91.03951	4.2
91.05464	2.5
93.07041	4.2
95.04958	1.1
95.08606	3.6
97.02874	4.9
97.06436	0.3
97.10161	0.4
98.20907	1.4
99.04461	1.1
101.02360	2.1
105.07018	1.9
107.08575	1.8
109.02867	1.0
109.10149	1.4
111.08063	0.4
115.03934	0.4
117.07008	0.7
119.08572	1.6
121.10136	1.9
123.08044	0.3
123.11712	0.3
127.03898	1.7
129.07007	0.6
131.08548	1.3
133.10162	1.3
135.11714	0.8
136.68964	0.2
145.05032	0.3
145.10124	0.7
147.11696	0.8
149.09669	0.5
149.13232	0.4
157.10149	0.3
159.11732	0.3
162.86037	0.3
173.22287	0.2
175.11223	0.3
184.07387	0.8
185.04153	0.5
193.12303	0.6
203.03508	0.3
203.05313	0.4
216.88173	0.3
243.08369	2.2
251.12660	0.9
335.25906	0.7
428.82977	0.3
469.20410	4.1
498.29654	0.3
519.29224	7.3
530.54102	0.3
747.42798	100.0
748.42944	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	747.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
53.65058	0.2
55.05503	1.2
57.03435	2.2
61.02922	5.2
65.61146	0.3
67.05497	4.3
69.03426	3.6
69.07069	1.5
71.01345	0.5
71.04972	0.6
73.02913	3.5
79.05488	3.2
79.42039	0.3
79.97776	0.3
81.03415	4.0
81.07048	4.3
83.08611	1.2
85.02896	7.2
91.03953	3.9
91.05471	3.1
93.07040	3.4
95.04944	1.6
95.08600	3.2
97.02882	4.2
97.10194	0.4
97.48367	0.3
99.04464	1.0
101.02376	2.1
105.07016	2.5
107.04967	0.6
107.08603	1.5
109.02864	0.8
109.06519	0.5
109.10160	1.3
111.08087	0.5
115.03926	0.3
117.07014	0.6
119.08575	1.7
121.06480	0.3
121.10128	1.5
123.08079	0.5
123.11729	0.5
127.03910	1.3
129.07011	0.6
131.08557	1.2
133.10118	1.4
135.11687	0.6
145.04939	0.3
145.10127	0.8
147.11716	0.9
149.09647	0.7
149.13295	0.3
157.10141	1.0
175.11128	0.7
184.07376	0.9
185.04236	0.9
193.12283	1.2
203.05180	0.4
211.13377	0.8
229.72035	0.4
243.08423	2.0
251.12689	1.4
260.29068	0.3
284.21140	0.3
307.15012	0.4
335.25711	0.5
469.20386	8.7
519.29309	4.5
747.42822	100.0
748.43011	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	748.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01875	2.3
57.03436	0.6
57.42334	0.4
58.84785	0.4
65.03934	4.0
65.47885	0.4
67.05492	1.8
69.03421	1.6
69.48789	0.7
69.49200	2.3
71.04995	0.8
75.04472	2.2
76.59947	0.3
77.03928	0.6
77.13634	0.3
78.04704	1.6
79.05476	4.1
81.03410	1.8
82.04202	0.6
85.02897	4.6
86.09692	1.7
89.03892	0.8
89.06037	0.7
91.05472	7.9
93.03393	7.8
93.07027	3.2
95.04962	5.0
97.02915	0.5
97.06500	2.3
98.20923	1.2
103.05458	17.1
105.03345	1.8
105.04518	0.7
105.07011	7.2
105.44974	0.4
105.75122	0.4
106.04166	12.6
107.04944	9.2
107.08583	0.7
109.06513	1.4
110.03658	2.1
111.04414	1.5
115.05433	4.0
116.06236	0.8
117.03322	0.4
117.07005	3.4
118.04159	4.2
119.04942	2.4
119.08587	0.8
120.05721	0.6
121.06496	16.2
122.03633	0.5
123.04421	3.9
123.08057	0.5
124.05193	2.0
125.00001	1.1
125.05987	6.7
129.06989	1.1
130.04115	1.0
131.04913	18.5
131.08560	1.3
132.05704	1.8
133.02834	1.3
133.06480	8.3
134.03638	2.4
135.02699	0.4
135.04413	1.5
135.08051	3.1
137.05960	4.6
138.03087	1.0
139.03876	1.1
139.07524	1.7
142.02605	1.1
143.04938	0.9
144.05684	1.4
145.02814	0.7
145.06483	5.5
146.03645	0.9
146.07259	0.6
147.04367	2.2
147.07983	1.9
148.05176	9.6
149.05969	24.4
151.03893	3.3
151.07483	2.7
152.04681	1.1
153.05450	3.8
153.09091	7.7
155.07074	0.6
156.05708	0.7
157.06473	1.3
159.04396	0.7
159.08037	1.9
160.05194	1.0
161.05978	8.6
162.01318	1.4
162.06732	0.5
163.02283	0.4
163.03951	2.4
163.07530	19.3
165.05450	1.5
165.09109	0.6
166.02678	0.4
166.06232	1.0
167.07024	50.0
168.07353	0.8
171.04337	0.6
171.06544	3.9
172.05199	0.4
173.05981	5.2
174.06763	0.7
175.07524	2.8
176.04645	2.8
177.05455	18.1
177.09026	0.9
179.01604	1.2
179.07024	1.2
179.08514	0.6
181.04944	64.2
181.08519	14.0
182.05185	0.8
183.06564	0.5
184.07326	6.0
187.07529	2.9
189.05388	0.9
189.09065	1.3
190.00859	0.8
190.06316	1.1
191.07008	85.0
192.07793	2.3
193.04953	1.6
193.08611	3.3
195.06480	4.9
195.07994	0.5
201.05452	1.3
202.06244	0.9
203.06975	2.8
205.06639	0.7
205.08580	3.4
206.05626	0.5
207.06448	1.1
207.08208	0.7
207.10170	1.1
208.01846	1.1
209.08067	100.0
210.08385	1.2
213.05505	0.6
217.08606	2.0
219.06363	0.6
219.08144	0.6
219.10088	5.4
221.06104	0.5
221.08099	1.0
222.06783	0.6
223.04225	17.0
225.07581	1.3
227.07094	0.4
229.08583	1.0
231.06445	0.7
233.05847	0.7
233.08057	4.9
235.07489	1.8
235.09637	5.3
236.08270	0.6
236.56720	0.4
237.09036	0.6
243.09958	0.4
245.08054	1.6
247.07495	1.0
249.05507	0.6
250.72377	0.4
251.06931	0.6
251.09232	0.4
252.07825	0.8
257.08221	0.5
261.11426	0.7
262.06125	0.6
263.09125	23.5
265.08582	1.0
267.10080	3.4
277.08707	0.5
279.06772	0.4
279.10040	1.0
281.07993	0.5
287.08856	0.4
292.07376	0.4
293.07928	0.5
294.08826	0.4
295.09589	1.4
297.11151	2.0
307.09561	1.3
309.11060	0.4
310.31915	0.4
312.09024	2.8
313.10461	0.7
322.08185	0.8
323.08954	0.7
325.10709	2.8
327.12225	1.3
329.13864	0.9
330.09979	0.8
331.11627	0.6
335.09085	0.7
337.10559	0.8
339.12228	1.2
353.09897	0.7
355.11572	1.0
357.13339	6.0
359.14792	0.8
367.11783	2.0
369.13217	1.4
371.14966	0.9
381.13345	0.7
385.07849	0.6
385.12753	11.0
386.13126	0.7
387.14462	1.8
389.15952	1.0
399.14227	3.6
417.15417	18.4
418.15732	0.5
446.77853	0.4
577.20459	0.7
609.22833	1.1
714.95679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
53.11909	1.2
54.10447	1.3
55.01850	4.8
55.05500	10.0
57.03417	4.7
57.07060	3.5
59.19811	1.3
61.02919	4.2
65.03944	1.4
67.05495	13.0
68.99773	2.3
69.03422	34.1
69.07050	7.7
70.22496	4.6
70.22899	1.9
71.04970	5.9
73.02900	3.0
79.05483	16.3
81.03409	24.7
81.07047	28.8
83.04950	5.0
83.08572	7.8
85.02892	43.7
85.06527	2.2
87.00809	12.4
91.05466	21.8
93.07032	33.0
95.04953	10.2
95.08595	40.1
97.02876	31.3
97.06506	5.3
97.10160	1.6
98.21424	1.7
99.04436	11.4
99.08066	6.5
103.05454	2.5
105.01858	12.3
105.07016	50.7
107.04945	3.8
107.08579	51.9
109.02864	26.0
109.06493	10.9
109.10130	17.6
111.04442	10.6
111.08086	1.7
113.06008	2.8
115.03905	13.2
115.05405	1.9
117.07003	11.2
119.08565	100.0
121.06480	12.5
121.10130	36.6
123.04445	2.8
123.08078	7.9
123.11693	8.5
125.05990	3.2
127.03901	31.5
127.07528	3.9
128.06212	4.1
129.01814	3.0
129.05528	1.6
129.06990	8.4
131.08549	39.9
133.06474	6.6
133.10107	42.5
135.04349	2.2
135.08047	11.4
135.11667	25.0
137.05960	10.1
137.06877	1.3
137.09618	2.2
137.13211	1.5
139.07478	3.6
141.06937	3.6
142.07748	4.7
143.08539	23.2
144.09357	4.3
145.04926	5.4
145.06445	4.2
145.10098	77.7
147.04527	1.7
147.08015	12.9
147.11656	37.9
149.05962	3.4
149.09599	5.6
149.13232	9.1
151.07536	4.1
151.11063	1.6
153.06836	1.4
155.07176	3.3
155.08525	8.4
156.09317	7.8
157.10114	32.8
158.10785	3.2
159.02882	4.1
159.08054	6.9
159.11667	51.6
160.12019	1.6
161.09598	13.0
161.13219	24.3
163.07492	9.6
163.11189	6.0
163.14786	8.1
165.09018	1.8
165.12778	1.5
167.07080	1.7
167.08554	3.4
169.10126	12.4
170.10818	6.0
171.08005	3.9
171.11658	31.7
172.12419	1.9
173.09619	7.2
173.13234	49.6
175.07475	2.6
175.11180	9.1
175.14792	23.3
177.09088	4.5
177.12692	5.2
177.16380	6.1
179.08717	1.6
179.14264	2.0
181.08640	2.3
181.10127	3.9
182.10895	3.3
183.11681	16.3
184.12509	1.5
185.09583	5.1
185.13242	31.4
187.07655	1.6
187.11259	8.4
187.14798	64.2
188.15054	2.0
189.12720	26.3
189.16331	16.1
191.10582	1.3
191.14294	4.9
191.17903	2.1
193.10170	3.8
193.12155	2.5
195.11655	5.6
196.12389	1.7
197.09630	1.7
197.13216	12.7
199.11139	5.0
199.14801	40.6
200.15173	1.8
201.12746	12.7
201.16350	48.0
203.10588	2.1
203.14224	10.2
203.17935	6.9
205.12265	8.5
205.15813	2.4
207.11848	2.5
207.13832	4.0
208.12456	1.6
209.13258	6.1
211.11166	3.0
211.14861	9.2
213.03943	6.0
213.12756	10.8
213.16330	19.8
215.10930	2.3
215.14308	13.7
215.17906	5.1
217.12178	4.1
217.15839	4.3
219.11685	2.2
219.13683	9.6
219.17271	1.6
221.13298	2.2
221.15323	3.3
223.14806	4.7
225.12753	3.2
225.16356	5.7
227.14279	5.7
227.17793	6.8
229.12169	3.0
229.15883	4.6
229.19571	3.0
231.04964	5.5
231.13693	7.0
231.17365	2.5
233.15324	10.0
235.14902	3.1
235.16998	2.3
237.16391	4.6
238.16942	1.4
239.14294	2.6
239.17960	4.9
241.15921	2.7
241.19452	3.6
245.15346	12.6
247.14699	1.9
247.16994	6.1
251.17863	4.9
253.19493	4.0
259.16931	7.8
263.17688	1.5
265.19388	2.0
267.21149	2.6
271.16928	3.0
273.18582	2.8
277.19440	2.0
279.21036	2.8
295.20703	1.6
297.18488	2.1
299.20120	2.6
305.22528	1.5
307.20673	1.5
307.24152	3.6
309.25647	2.0
323.27194	1.9
325.21698	1.6
333.21976	1.7
333.25723	2.7
335.23685	1.6
339.22983	1.8
353.24625	2.4
355.26215	3.1
363.26733	2.1
369.27756	3.0
371.27029	2.6
373.28821	1.4
379.26306	4.2
383.27060	2.3
389.28394	17.1
391.29861	4.8
401.28265	8.8
403.29861	3.9
407.29370	22.9
409.31155	2.0
417.27484	3.8
419.29379	33.7
421.30865	4.7
423.28812	2.3
435.16498	3.0
435.28943	32.4
437.30371	25.8
439.32385	2.5
447.28882	13.5
449.30154	2.1
453.29956	71.7
453.72485	1.8
454.30292	1.8
455.31418	5.8
465.29956	50.4
466.30103	2.6
467.31512	8.0
471.30646	1.8
483.31000	42.0
484.30984	2.6
501.32117	28.0
511.30582	2.1
519.31335	2.9
543.72058	1.5
545.32391	1.6
586.19873	1.6
591.33020	7.1
609.33795	2.1
637.33344	3.6
649.33569	2.4
665.32794	3.0
667.34656	3.2
677.33154	2.5
683.33405	6.9
685.35559	2.9
695.34076	6.2
701.34882	3.8
713.34546	4.0
749.34833	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	749.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68617	1.7
53.03934	6.8
55.01862	8.6
55.05499	8.3
57.03421	7.6
57.07058	2.6
58.40368	1.9
60.59754	1.7
61.02909	3.3
65.03934	5.6
67.05497	17.9
68.99780	3.3
69.03069	2.1
69.03422	26.6
69.07057	11.5
69.41785	10.1
69.42211	7.4
70.06585	2.9
71.04980	16.8
73.02888	2.6
79.05489	20.3
80.05815	2.1
81.03409	22.0
81.07052	33.8
83.04973	8.0
83.08628	4.6
85.02413	3.6
85.02895	49.6
85.06505	2.3
86.09686	8.1
87.00817	14.4
87.93108	1.8
91.05467	39.0
93.03403	3.3
93.07038	40.5
95.04970	13.8
95.08603	42.4
97.02878	12.1
97.06525	11.2
99.04453	10.1
103.05472	10.1
104.05784	2.0
105.01862	8.4
105.04505	2.8
105.07019	63.6
106.04166	4.2
107.04993	9.2
107.08583	43.0
109.02876	12.6
109.06521	8.5
109.10136	17.5
111.04438	4.8
111.08056	5.9
113.05976	3.2
115.05451	7.3
117.07001	22.5
119.04904	3.9
119.08567	88.2
121.06494	16.8
121.10134	32.0
123.04417	5.2
123.08059	8.8
123.11705	4.8
124.99983	3.4
125.05988	5.1
127.03909	22.7
128.06190	8.1
129.06973	13.2
130.07802	2.2
131.04892	10.2
131.08551	48.1
132.05229	2.0
133.06476	8.0
133.09109	2.3
133.10115	43.4
134.10500	2.0
135.08022	10.4
135.11708	9.8
135.22545	2.2
137.05995	11.1
137.09610	6.0
137.13161	2.8
139.03905	8.1
141.07021	4.6
142.07788	14.1
143.08553	34.9
144.09286	5.8
145.04961	5.2
145.06516	3.6
145.10107	87.1
147.04358	2.7
147.08017	13.4
147.11673	30.5
148.05183	5.7
149.05989	10.3
149.09584	6.9
149.13251	12.8
150.06323	2.7
151.03891	3.6
151.11273	2.1
153.01775	3.8
153.05434	3.1
153.06871	1.9
153.09055	4.6
154.07770	2.4
155.08476	14.6
156.09337	9.0
157.10114	49.7
158.10808	4.7
159.02919	3.0
159.08057	6.0
159.11679	56.7
159.13000	2.7
160.12015	2.6
161.05972	7.1
161.09618	14.8
161.13223	27.0
163.03879	3.3
163.07536	12.3
163.11157	7.4
163.14810	11.2
164.07886	2.5
165.05545	1.9
167.07027	34.4
167.08449	3.3
168.07404	8.2
168.09346	4.5
169.10085	23.1
170.10866	9.0
171.06602	3.2
171.11655	37.9
173.05913	3.8
173.09567	4.2
173.13242	44.2
175.07539	4.0
175.11177	8.8
175.14816	20.8
177.05482	8.7
177.12741	11.3
178.05884	3.0
179.06932	2.5
179.08495	2.5
179.10661	2.9
181.04938	33.9
181.08551	6.0
181.10133	9.9
182.05290	10.9
182.08850	3.9
182.10864	3.5
183.11694	27.7
184.07300	13.2
184.12460	2.4
185.07681	2.8
185.09608	3.4
185.13231	46.0
187.05998	3.7
187.11212	6.3
187.14798	62.1
189.09096	3.6
189.12726	26.3
189.16328	10.5
191.07002	37.7
191.14282	10.3
192.07355	15.2
193.10237	2.8
193.12132	3.3
195.06441	2.6
195.11674	10.2
197.13239	28.5
199.11166	5.4
199.14810	45.2
201.12743	14.4
201.16379	31.5
203.14273	33.9
203.18030	3.3
205.12209	2.6
205.15892	7.5
207.11864	4.7
207.13824	7.3
209.06248	3.8
209.08081	37.8
209.13301	9.3
210.08400	15.9
211.14775	17.1
213.03958	8.1
213.12732	4.4
213.16347	17.8
215.14305	20.6
215.17929	3.2
217.15834	20.2
219.10094	3.0
219.13762	7.5
221.13478	3.4
221.15372	9.6
223.04257	8.8
223.14804	8.1
224.04613	3.8
225.12679	2.2
225.16371	7.5
227.14273	6.3
227.17934	5.3
229.12051	2.7
229.15875	8.5
231.04959	7.2
231.17375	3.5
233.13257	3.2
233.15367	11.7
235.09569	2.8
235.14722	4.6
237.14536	2.4
237.16452	5.7
239.17975	8.4
241.19543	4.0
245.15363	5.9
247.17020	5.3
249.16403	4.9
251.17905	7.7
253.19405	5.2
257.12857	3.5
257.15363	4.8
258.99490	2.3
259.17026	2.5
263.09137	10.9
264.09479	6.0
265.19522	2.9
277.19141	2.0
279.20953	2.2
302.22577	2.1
303.04843	3.4
305.22626	2.0
351.23364	1.9
357.13232	3.6
358.13611	3.5
373.28940	2.7
373.71777	2.1
383.27203	2.4
385.12585	3.9
386.13065	3.6
389.28183	8.6
391.29953	10.6
401.28448	12.2
403.29822	9.0
407.29514	12.0
417.15271	4.6
417.27676	4.4
418.15747	5.1
419.29404	25.4
421.31088	12.6
429.27972	3.2
435.28922	100.0
436.29218	6.2
437.30429	11.3
439.32062	4.0
447.28915	21.4
453.29956	45.1
455.31137	3.6
457.33267	4.3
465.29968	56.0
476.31760	4.0
483.31064	73.4
484.31088	4.2
501.32144	30.0
585.19543	7.4
713.34650	3.9
749.34723	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	749.443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67249	0.3
53.03936	0.8
55.01862	0.5
55.05500	1.8
57.03430	1.8
57.07063	1.6
61.02921	4.8
67.05497	5.6
69.03426	2.9
69.07072	1.5
71.01343	0.6
71.04974	2.6
71.08628	1.2
73.02906	3.2
78.11030	0.4
79.05482	3.4
79.78606	0.3
81.03406	3.7
81.07047	5.2
83.04990	0.6
83.08611	1.4
85.02893	6.3
87.04439	0.5
91.03943	3.5
91.05474	3.1
93.07038	3.6
95.04973	1.4
95.08600	4.3
97.02876	4.7
97.06542	0.7
97.10171	0.4
99.04442	0.9
101.02367	1.9
103.04004	0.3
105.07042	1.5
107.08588	2.6
109.02900	1.0
109.06525	0.4
109.10145	2.7
111.08098	0.6
117.07018	0.4
119.08547	2.2
121.10114	1.8
123.11678	0.5
125.00041	0.5
127.03893	1.7
129.92656	0.4
131.08594	1.0
133.10146	0.9
135.11696	1.8
137.09630	1.2
137.13237	0.4
145.05040	0.5
145.10120	0.7
147.11696	0.7
149.09682	0.6
155.10760	0.4
157.10190	0.6
159.11700	0.4
173.11734	0.4
173.13226	0.3
175.11302	0.5
184.07297	0.7
193.12283	1.5
194.05544	0.3
203.05238	0.3
211.13338	1.4
224.64581	0.4
239.23628	0.5
240.93671	0.3
243.08354	2.1
253.14171	1.5
267.15955	2.0
285.17044	0.4
313.27292	3.7
333.96115	0.5
335.25879	0.8
439.19388	0.4
471.21884	4.7
478.27072	0.4
493.17700	0.8
505.38919	1.9
519.29254	7.3
523.40051	1.5
539.27863	0.4
707.45636	0.4
724.70276	0.4
749.44336	100.0
750.44739	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	750.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.1
55.01840	0.1
55.77655	0.1
57.03424	0.1
62.87416	0.1
65.03928	0.2
67.05491	0.2
69.03420	0.3
70.06546	0.1
70.96861	0.3
71.04987	0.2
72.16517	0.1
73.02870	0.2
78.04707	1.1
79.05093	0.1
79.05479	1.0
81.03397	0.4
81.07034	0.5
83.08620	0.1
85.02898	0.6
86.09688	0.1
86.50631	0.1
91.05459	0.7
93.03383	0.1
93.07021	0.4
95.04932	0.5
95.08581	0.2
97.02867	0.2
97.46304	0.1
98.91100	0.1
103.05450	0.4
105.07017	1.6
106.04163	0.6
107.04940	1.3
107.08573	0.3
108.63000	0.1
109.02875	0.2
109.06496	0.1
109.10157	0.2
111.08083	0.1
115.05355	0.3
117.07006	0.3
119.04935	0.3
119.08567	0.4
121.06470	0.8
121.10096	0.2
122.03603	0.1
123.04406	2.7
124.05199	1.2
125.05966	0.2
127.03847	0.3
129.06992	0.3
131.04948	0.3
131.08557	0.3
133.06476	1.2
133.10139	0.3
134.03578	0.3
135.04404	0.3
135.08029	0.3
136.05244	0.1
137.05957	0.7
139.03867	0.5
139.07527	0.1
143.08577	0.2
144.09100	0.1
145.06389	0.2
145.10069	0.2
147.04404	0.1
147.08092	0.2
147.11710	0.1
148.05055	0.1
149.05963	1.0
149.13321	0.1
151.03859	0.5
151.07501	0.8
152.04657	0.8
153.01900	0.1
153.05435	0.2
157.06482	0.2
159.11641	0.3
160.05304	0.1
161.05972	1.6
161.09612	0.2
161.13168	0.2
162.06696	0.1
163.03893	0.3
163.07542	0.3
165.05414	0.1
165.09103	0.2
166.06229	0.4
167.07018	100.0
168.07361	1.4
173.05954	0.3
175.07556	0.7
177.09087	6.9
179.06995	0.5
181.04944	0.2
181.08553	2.5
189.09030	0.8
191.07027	0.4
193.08582	8.5
194.08952	0.1
195.10165	0.3
198.87767	0.1
203.10690	0.1
205.08592	0.3
207.10159	0.4
209.08107	0.1
209.11754	0.2
211.09625	12.1
212.09964	0.1
217.08521	0.2
219.10243	0.2
221.11723	1.5
223.09599	0.3
253.08461	0.1
257.11694	0.1
283.09702	0.2
285.11026	0.3
343.15338	0.3
345.13202	0.2
357.13351	0.3
357.17105	0.2
359.14581	0.2
361.16391	3.8
371.14810	0.5
373.16550	0.4
375.18073	0.2
382.85229	0.1
385.16806	0.2
387.18188	0.2
389.15952	0.2
399.18039	0.5
417.19394	0.2
466.30371	0.1
484.31287	0.1
502.32364	0.3
502.64883	0.1
553.23907	0.3
586.19867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
53.55073	1.2
55.01859	2.9
55.05498	7.6
57.03427	3.3
57.07056	2.8
57.87427	1.3
61.02909	3.2
67.05495	10.1
69.03420	15.4
69.07045	6.2
70.81727	2.8
70.82069	1.3
71.04981	2.9
73.02902	1.8
79.05480	11.2
81.03409	13.5
81.07051	22.4
83.04968	4.0
83.08624	5.3
85.02898	26.3
87.00810	9.7
91.05469	16.5
93.07039	27.7
95.04930	7.6
95.08596	36.3
96.08931	1.2
97.02885	8.7
97.06529	3.8
97.10155	1.8
99.04434	6.9
99.08079	5.4
103.03973	1.5
103.05430	1.5
105.01855	9.2
105.07015	40.9
107.04935	1.7
107.08583	41.8
109.02875	10.6
109.06495	4.4
109.10139	18.3
111.04421	1.3
111.08092	3.1
113.05996	2.1
115.05415	1.5
117.07008	9.2
119.08563	70.1
121.06481	4.6
121.09290	2.4
121.10126	27.4
123.04445	1.3
123.08047	6.9
123.11668	5.6
125.09607	2.2
127.03905	19.3
128.06218	1.5
129.01804	1.6
129.06995	4.1
130.07758	1.4
131.07571	1.9
131.08551	36.0
131.09497	2.4
133.06467	2.5
133.10106	37.3
133.11061	2.5
135.08051	4.3
135.11667	13.8
137.09576	3.1
141.07037	1.8
142.07788	4.4
143.08553	17.6
144.09384	3.1
145.04999	3.0
145.10106	54.1
147.08022	6.8
147.11668	27.2
149.09644	4.8
149.13246	8.8
151.07576	1.8
151.11197	2.1
153.09122	1.6
155.08510	7.1
156.09328	5.4
157.10107	24.2
158.10922	2.3
159.02885	2.6
159.08049	2.4
159.11665	38.9
161.09541	6.3
161.13257	17.2
163.07504	2.3
163.11127	4.2
163.14819	7.4
165.09044	1.9
167.07056	13.0
167.08438	2.8
168.09306	1.7
169.10086	10.0
170.10924	4.2
171.08029	2.1
171.11664	21.6
172.12450	1.7
173.09622	4.0
173.13243	31.6
175.11243	6.1
175.13293	1.4
175.14803	25.6
177.09109	1.3
177.12749	2.6
177.16347	5.0
179.14351	1.6
181.10110	3.2
182.10965	2.3
183.11646	12.8
185.13232	23.1
186.13965	1.5
187.06033	3.6
187.11201	2.7
187.14793	43.4
189.12727	25.0
189.16341	11.0
191.14284	5.0
191.17934	4.5
193.12057	1.3
195.11684	4.6
197.13199	10.7
199.14790	29.0
201.12724	5.9
201.16351	40.6
203.14305	18.4
203.17957	15.1
205.15929	5.4
207.11850	1.9
207.13817	5.5
209.13214	5.4
211.09569	1.4
211.14839	9.1
213.03954	4.7
213.12830	2.6
213.16353	18.3
213.18288	1.4
215.14325	11.1
215.17984	4.4
217.15836	6.3
219.13904	6.9
219.17424	1.5
221.13393	1.8
221.15373	7.0
223.14832	4.6
225.16325	5.5
227.14339	2.0
227.17992	5.8
229.15837	8.3
229.19395	1.8
231.04956	4.7
231.17413	2.8
233.15381	5.1
235.16934	3.0
237.14574	2.1
237.16597	2.3
239.17944	4.7
241.15750	2.0
241.19473	5.9
243.17390	2.9
245.15347	3.9
245.19080	1.3
247.16930	9.1
251.18114	2.6
253.19527	4.7
255.17372	1.7
255.21121	3.0
257.18848	1.6
259.16959	2.4
261.16367	2.0
263.18039	1.6
265.19568	2.4
267.21017	2.9
273.18549	1.7
275.18109	1.5
279.21100	2.4
281.22595	2.4
283.20782	1.9
297.22458	1.5
299.20059	1.6
373.28696	2.1
375.30432	1.8
385.28961	3.5
387.30377	2.0
391.30020	14.5
393.31769	2.9
401.28708	1.5
403.29968	16.4
405.31451	5.3
409.31030	7.2
419.29404	4.9
421.25836	2.1
421.31000	24.9
423.32471	5.1
431.29398	5.7
437.30466	100.0
438.30838	5.0
439.31970	12.2
440.32703	1.5
441.33545	1.4
449.30566	21.1
455.31494	43.9
456.31967	2.7
457.32925	4.1
467.31546	75.4
468.31833	4.9
478.33194	2.5
485.32584	80.9
486.32874	5.1
496.33777	1.5
503.33658	29.2
504.34552	1.9
593.34991	1.6
653.36859	1.3
697.35657	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01863	9.6
55.05498	9.3
57.03420	6.9
57.07056	3.3
61.02906	9.3
61.76797	1.7
66.28911	1.8
67.05500	13.9
68.99765	3.5
69.03422	30.4
69.07053	8.5
69.53691	15.3
71.04982	12.1
73.02892	8.9
77.53867	2.2
77.75284	1.6
79.05482	17.2
79.93092	1.7
81.03409	36.7
81.07044	29.8
83.01346	2.5
83.08625	5.3
85.02894	79.2
85.06492	2.2
87.00817	26.0
91.03921	2.8
91.05452	17.1
93.07034	27.7
95.04974	4.0
95.08028	3.8
95.08595	39.8
97.02875	35.3
97.06513	5.2
98.20920	6.8
98.21482	2.6
99.04413	17.2
105.01860	30.0
105.07012	41.3
107.08577	46.6
108.04476	8.5
109.02869	35.1
109.06495	9.1
109.10142	24.6
111.08049	4.3
115.05445	2.6
115.72472	1.9
117.07008	6.0
119.08565	60.3
121.06510	3.3
121.10133	32.5
123.04459	2.2
123.08026	5.0
123.11691	7.9
125.09644	9.7
126.05485	2.6
127.03902	53.8
127.07542	3.0
128.06277	2.5
129.01802	3.3
129.07019	2.7
131.08554	33.5
133.09154	1.3
133.10118	40.7
135.08047	7.7
135.11670	13.5
137.09587	5.5
139.03888	6.4
143.08588	10.1
145.04941	18.3
145.10110	58.1
146.10477	2.3
147.02908	3.2
147.08012	2.6
147.11671	24.9
149.09645	5.9
149.13252	14.4
151.11176	3.1
153.09050	2.7
154.49071	1.9
155.08470	2.4
156.09334	4.3
157.10135	15.8
158.10909	2.6
159.02887	17.4
159.11670	43.4
161.09619	5.1
161.13228	28.9
163.11154	8.5
163.14799	16.6
169.10095	5.0
170.10786	3.3
171.11650	21.7
173.11740	4.4
173.13234	64.7
175.11241	3.2
175.14789	34.5
177.12692	2.8
177.16348	13.8
183.11636	7.7
185.13239	18.2
187.14799	60.0
189.12755	3.8
189.16354	15.0
191.14287	71.9
191.17857	3.7
193.15842	3.6
195.11710	2.8
197.13220	5.1
199.14757	19.2
201.16354	100.0
202.16646	2.9
203.14275	19.8
203.17906	35.5
205.15868	20.5
209.13094	2.6
211.14778	6.3
213.03824	9.9
213.16379	13.3
215.17896	6.0
217.15816	7.1
219.17525	3.5
221.15321	54.7
223.16982	6.7
225.16299	3.5
227.17867	5.0
229.07417	2.1
229.16019	2.8
229.19481	2.5
231.04906	9.6
231.17430	5.7
235.16893	5.0
239.16420	7.4
245.15306	3.3
247.16911	48.2
248.07684	6.5
249.18501	3.6
251.17923	3.4
253.19427	2.4
255.20964	2.4
259.16888	5.7
265.19592	2.7
266.08685	5.7
371.26605	2.4
375.30411	3.3
387.30444	8.7
393.31537	3.9
405.31470	23.2
407.33118	4.5
421.30862	7.3
423.32516	95.8
425.34152	4.4
433.31082	16.7
438.30502	3.8
439.32004	5.3
441.33524	29.1
451.32010	36.0
467.32037	2.3
469.32986	45.9
486.32813	2.6
487.34326	5.2
646.84802	2.5
653.37305	2.9
739.53833	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	752.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01617	0.7
55.01867	9.2
55.05260	0.6
55.05506	8.1
57.03429	2.5
57.07067	0.7
61.02890	0.4
61.42149	0.4
65.03925	1.2
67.05498	21.2
69.03406	0.8
69.07059	13.3
71.04979	1.3
73.02892	0.4
73.06549	0.8
74.77615	0.4
79.05484	24.5
81.03407	4.2
81.07047	27.1
83.04971	5.7
83.08176	0.5
83.08608	4.1
85.02932	0.4
85.06522	1.3
91.05470	30.0
93.07030	24.0
95.01312	3.7
95.04960	8.4
95.08594	16.0
95.09066	0.4
97.02896	0.6
97.06517	19.4
97.10148	1.3
98.21307	1.8
103.05452	0.6
105.04528	0.6
105.07018	35.1
106.07334	0.4
107.04934	7.7
107.05610	0.7
107.08580	9.2
109.06496	2.7
109.10153	3.6
111.08054	1.2
115.05462	0.7
117.07003	7.2
119.08568	18.7
121.06498	2.0
121.10132	4.1
123.04411	1.1
123.08054	3.7
123.11630	0.5
125.09608	0.9
128.06204	1.0
129.06984	4.7
131.08551	7.9
133.06505	0.5
133.10114	16.6
135.08044	1.9
135.11653	3.0
137.09613	0.7
139.07539	0.8
139.11139	0.3
141.06947	0.9
142.07655	0.3
143.08545	2.8
145.06485	0.8
145.10097	8.5
147.07977	0.7
147.11674	12.9
149.09604	4.6
149.13251	1.4
151.11143	1.0
155.08492	0.5
157.10120	1.3
159.11667	4.5
161.09625	1.1
161.13246	4.8
163.07602	0.4
163.11212	2.5
165.09137	0.8
169.10136	1.3
171.10199	0.6
171.11644	5.9
173.13271	1.6
175.11249	0.6
177.12709	1.7
179.14296	5.6
183.11690	0.6
184.07330	0.6
185.13193	0.4
187.11182	0.9
189.12758	2.5
197.13284	1.0
201.12802	0.4
205.12267	0.4
207.13742	4.8
229.19351	0.6
239.17902	0.6
241.14352	0.5
247.20596	1.2
257.19043	1.9
259.20605	1.1
263.16476	1.0
275.20032	35.5
279.15775	3.2
281.17435	23.6
293.21201	2.0
331.22913	0.4
349.23706	15.0
367.25580	0.4
476.53326	0.5
537.35626	2.3
555.36749	100.0
556.37213	1.6
573.37964	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01865	2.6
56.96540	0.4
57.03415	1.2
65.03921	0.8
67.01849	1.5
67.05487	1.0
68.99773	3.9
69.03074	0.5
69.03419	8.6
70.23827	1.8
71.04978	7.1
73.02892	0.3
77.03905	0.4
77.47594	0.4
79.01818	0.7
79.05499	1.8
79.29408	0.4
81.03381	1.1
83.01317	0.7
83.04971	1.0
85.02412	0.7
85.02893	9.3
91.05460	1.2
93.03387	1.6
93.06992	0.6
95.04937	2.4
95.05450	0.4
97.02879	1.5
99.04425	1.7
103.05445	0.9
105.07010	1.3
107.04938	3.9
109.02859	1.1
111.00791	1.2
111.04430	11.3
115.05437	0.9
117.06977	0.5
119.04968	0.6
121.02864	2.2
121.06483	2.4
123.04414	2.8
125.02316	0.7
125.05972	0.8
127.03881	1.0
128.06242	0.7
129.05460	1.2
129.06963	1.0
131.04933	1.9
133.02788	0.6
133.06467	1.4
135.04393	12.9
135.08015	0.4
137.02353	0.6
139.03885	25.5
141.01802	0.6
143.04900	0.6
145.06456	2.3
147.04381	2.4
147.08034	0.5
149.05962	3.8
151.03885	14.3
153.01808	87.0
154.02145	1.1
155.03374	1.3
155.04886	2.2
157.06429	2.2
159.04393	2.0
160.05112	0.4
161.05991	2.2
163.03883	43.8
164.04312	0.7
165.01782	1.1
165.05431	1.5
167.03401	0.5
171.02840	1.2
171.04375	1.0
173.05956	5.2
175.03886	6.6
175.07474	1.1
176.04645	1.1
177.01897	0.7
177.05457	14.2
179.03363	5.0
179.04848	0.5
179.07004	1.3
181.01324	6.5
181.04938	18.2
183.02867	0.9
183.04366	5.2
184.05180	0.5
185.05933	3.6
187.03874	19.5
189.05426	8.0
191.03374	2.8
193.04984	1.7
195.02864	1.2
195.04448	0.5
197.05931	1.4
199.03864	1.7
200.04631	3.0
201.05441	9.4
203.03406	0.8
203.07025	4.0
205.04932	24.5
207.02760	0.6
207.06467	1.0
211.03876	4.3
212.04604	0.8
213.05444	9.4
215.03369	3.2
215.06960	0.7
216.04042	0.4
216.96477	0.5
217.04947	1.6
223.03851	1.2
225.05478	2.2
227.03365	1.4
227.07011	1.5
228.04111	1.1
229.04930	20.1
231.06485	17.0
237.05429	1.2
239.03365	15.8
241.04901	9.2
243.02829	3.8
243.06548	1.2
245.04408	4.9
246.05222	1.5
249.07559	23.6
251.07121	0.4
253.04922	2.3
255.02814	1.2
255.06482	3.6
257.04407	5.7
258.05264	2.1
259.05945	4.0
260.03159	0.4
261.03870	7.5
265.04877	2.2
267.02740	0.4
267.05878	0.7
267.08627	13.2
269.04343	2.0
271.05981	4.2
273.03903	6.6
273.07529	3.0
274.04691	1.5
275.05396	5.3
279.06412	0.9
281.04276	2.3
282.05096	0.5
283.05917	1.1
285.03915	100.0
285.09543	33.2
286.04181	1.8
286.09857	0.6
287.05316	0.9
291.09009	0.6
293.04581	0.5
295.02786	0.5
295.05884	0.8
297.03961	3.1
299.05508	0.8
303.06372	2.0
305.04370	0.4
307.02658	0.5
307.06094	1.1
309.03925	2.9
311.05420	1.8
313.03363	3.2
317.04175	0.5
319.05865	1.4
321.07605	0.7
323.05585	1.0
325.03424	1.4
331.05963	2.6
331.42795	0.4
332.06577	0.7
333.07361	0.6
335.05511	1.6
337.03351	2.2
337.06815	0.8
339.04544	0.4
343.05841	0.5
347.05493	1.2
349.07095	2.3
351.05081	0.6
355.04803	0.4
359.05429	2.3
360.06143	0.4
361.06998	1.0
363.04755	1.9
365.06461	0.8
367.05612	0.4
371.05374	0.8
375.05011	1.6
377.06635	2.7
379.04559	0.7
387.05017	4.2
388.05640	0.8
389.06461	0.9
391.04251	0.4
393.06033	2.8
403.04303	1.5
404.05127	1.9
405.06033	3.9
409.05511	1.6
411.06909	1.2
415.04514	2.2
416.04959	0.6
417.05948	1.1
419.03833	1.1
421.05475	8.4
423.07269	0.8
427.06580	7.1
433.05460	5.1
435.06824	0.6
437.04929	1.2
439.06549	14.4
440.06931	0.5
445.06076	0.4
451.06516	7.5
463.06454	2.7
469.07614	17.8
481.07666	0.9
496.86374	0.4
531.08612	0.4
573.09949	0.5
583.08685	1.1
589.09717	17.3
601.09772	9.1
613.09668	13.6
615.12885	0.7
631.10553	2.2
637.09021	0.9
655.10712	10.3
656.11493	0.6
681.12335	5.2
699.12915	1.1
717.14282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22342	0.5
54.21435	0.5
55.01859	1.6
56.96550	0.9
57.03412	1.5
61.02915	0.8
65.03921	0.9
67.01863	0.9
67.05486	1.1
68.99783	3.0
69.03421	4.8
71.04986	10.9
71.61140	0.7
71.82429	0.5
79.05466	0.9
81.03419	0.9
83.04969	1.1
85.02891	12.4
91.05475	1.6
93.03343	0.7
93.07034	0.9
95.04939	1.2
97.02863	1.3
99.04436	1.0
99.08069	2.1
105.07027	0.9
107.04953	1.6
109.02860	0.9
111.00791	1.1
111.04422	7.4
119.08539	0.6
121.02839	1.8
121.06512	0.9
123.04424	2.7
127.03876	1.9
129.05464	1.7
131.04901	1.1
133.06488	1.0
133.10112	0.9
135.04408	6.0
137.02269	0.8
137.05965	1.5
139.03880	23.5
145.06537	0.8
147.04416	1.2
149.05927	1.7
151.03864	6.0
153.01808	71.3
155.03340	1.0
155.04895	2.0
157.06470	1.8
159.04347	0.6
161.05951	2.4
163.03886	50.6
165.01831	0.6
165.05493	0.7
171.02870	1.4
173.05986	2.9
175.03917	3.4
177.05453	7.4
179.03366	3.9
181.01302	6.9
181.04912	6.3
183.04384	2.8
185.05960	3.4
187.03883	10.5
189.05484	3.8
191.03387	1.4
193.05006	1.0
195.02913	1.1
197.05936	1.3
199.03831	1.3
200.04652	1.9
201.05424	5.6
203.06992	2.0
205.04918	11.6
205.06677	1.1
211.03864	2.1
213.05438	7.4
215.03387	2.7
215.06851	0.7
217.05008	0.9
223.03874	1.5
225.05513	1.3
227.03365	1.3
227.06969	0.8
229.04912	14.2
231.06482	9.1
237.05412	1.3
239.03391	10.4
241.04950	7.6
243.02809	3.6
243.06508	1.3
245.04367	4.5
246.05273	1.2
249.07561	11.4
253.04916	1.7
255.02975	0.9
255.06500	2.3
257.04391	5.2
258.05191	1.7
258.08112	0.6
259.05908	4.3
261.03876	6.1
265.05038	0.9
267.08627	7.2
269.04395	2.0
271.05905	4.0
273.03925	7.8
273.07495	2.2
274.04626	1.6
275.05353	3.5
279.06644	0.9
281.04391	1.8
283.05850	1.1
285.03906	100.0
285.09149	11.9
286.04312	2.1
287.05362	0.9
293.04224	0.8
295.05969	0.8
297.03989	2.9
303.06540	1.0
307.05905	0.8
309.03876	1.9
311.05396	1.4
313.03427	2.7
319.05682	0.9
325.03415	0.7
331.05914	1.5
335.05472	1.7
337.03360	2.0
337.07062	1.1
347.05505	1.3
349.07050	1.5
359.05417	2.0
361.07236	0.9
363.04980	1.4
363.11911	4.7
363.62064	1.3
375.04904	1.5
376.05557	0.7
377.06519	2.9
379.04449	0.6
387.05176	2.9
387.10071	0.5
387.16583	0.6
389.06396	1.3
393.05954	2.5
403.04294	1.3
404.05310	1.4
405.05856	4.7
409.05505	1.7
411.06955	1.0
415.04324	1.7
416.04791	0.7
417.06119	0.9
421.05460	8.2
423.07068	1.0
427.06589	7.3
433.05499	4.8
439.06555	14.8
445.05502	1.2
450.21118	0.6
451.06671	6.1
463.06668	1.5
469.07623	20.3
481.07471	0.7
558.22839	2.0
558.72791	0.6
589.09692	29.9
590.09650	0.9
601.09558	5.2
613.09937	7.2
615.12549	0.8
631.10413	1.1
655.10828	6.1
663.10852	0.9
681.12415	3.2
699.12628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01865	1.3
55.05511	6.0
57.03432	1.4
57.07052	2.4
60.15499	0.8
63.59473	0.8
65.03949	1.0
67.05494	6.9
68.99788	0.7
69.03416	10.1
69.07063	10.4
69.55873	6.1
71.04986	2.4
72.77567	0.7
73.02914	1.1
75.88370	0.7
79.05482	9.3
81.03420	4.2
81.07050	26.4
82.18727	0.7
83.04948	2.3
83.08603	5.4
85.02897	13.4
85.03398	1.1
85.06478	0.7
87.00822	6.6
91.05467	12.3
93.07031	25.0
95.04979	5.0
95.08595	39.4
97.02887	5.0
97.06512	3.9
97.10152	3.5
98.20766	1.7
99.04436	2.8
99.08005	0.8
103.05421	1.1
105.01855	2.8
105.07019	47.4
107.08580	42.2
109.02857	4.1
109.06521	4.4
109.10146	20.1
111.08062	2.5
115.05437	1.4
117.06992	5.6
119.08568	64.3
120.08868	0.8
121.06487	6.3
121.10127	31.6
123.08033	4.5
123.11704	5.2
125.09598	1.9
127.03881	6.8
128.06204	1.2
129.06979	3.3
130.07739	1.7
131.08553	41.3
132.08908	1.0
133.06537	0.9
133.10115	52.1
134.10432	1.4
134.85999	0.9
135.08047	8.1
135.11671	14.2
137.09586	3.5
137.13225	1.1
142.07788	2.7
143.08557	8.2
144.09341	2.5
145.04919	2.8
145.10106	58.3
146.10814	1.0
147.08041	3.9
147.11668	32.9
149.09587	4.8
149.13232	14.7
151.07469	1.1
151.11176	1.9
153.09055	1.3
155.08539	1.7
156.09315	2.3
157.10106	15.3
158.10860	2.9
159.02852	1.4
159.08089	1.6
159.11678	45.2
161.09618	9.4
161.13234	25.1
163.07385	0.9
163.11183	8.0
163.14796	22.9
165.09129	1.6
165.12724	2.1
167.10603	1.9
169.10129	3.2
170.10835	2.6
171.11678	12.5
172.12444	2.2
173.13242	62.1
174.13754	1.0
175.11166	5.7
175.14812	41.6
176.11890	0.9
177.12775	5.3
177.16356	19.4
179.10640	1.8
179.14204	1.5
183.11665	5.7
184.12440	0.9
185.13237	16.1
186.14008	1.0
187.06056	2.6
187.14803	71.0
188.15125	2.1
189.12746	5.8
189.16362	22.5
191.14285	83.3
191.17906	12.3
192.14575	1.4
193.12268	2.7
193.15907	3.8
195.11650	0.8
197.13191	4.0
199.14818	16.3
201.12631	2.9
201.16357	100.0
202.16644	2.9
203.14310	31.6
203.17934	74.2
204.18292	2.0
205.15863	18.1
205.19453	3.1
207.13727	1.1
207.17513	1.1
209.13228	1.1
209.15277	0.9
211.14828	4.8
213.03957	3.7
213.16376	15.7
215.14337	2.5
215.17932	11.1
217.15855	7.0
217.19417	4.0
219.13757	1.6
219.17412	8.2
221.15338	60.9
222.15710	1.4
223.14885	1.5
223.16948	4.1
225.16364	1.9
226.44562	0.9
227.17876	4.6
229.15871	4.0
229.19547	3.8
231.04951	2.4
231.13687	1.2
231.17448	4.7
231.20923	2.0
233.15277	1.8
235.16885	5.4
239.16295	12.2
241.19458	2.4
243.17451	2.9
243.21080	1.9
245.15273	1.0
245.19116	0.9
247.16913	48.1
248.17166	1.1
249.06030	1.2
249.18575	4.6
251.17917	1.0
255.21101	1.2
257.18991	1.5
257.22586	1.5
261.18494	3.0
265.17856	1.4
267.21103	1.2
269.22482	1.8
275.20111	1.8
336.71756	0.9
347.27444	0.9
365.28427	2.4
375.30508	2.8
377.31985	1.6
387.30536	5.0
389.32034	1.5
393.31592	4.6
395.32901	1.3
405.31485	24.3
406.31870	1.7
407.32990	5.8
411.32529	3.1
415.29837	1.5
421.30933	3.9
423.32535	66.9
424.32861	2.9
425.28961	1.3
425.34180	22.6
433.30884	8.2
439.32117	9.5
441.33636	19.2
442.34164	1.1
443.35193	2.6
451.32028	25.0
457.33276	1.9
469.33109	39.3
470.33203	2.0
487.34229	13.6
505.35129	7.3
673.38635	1.4
692.77362	0.9
699.36743	1.1
717.37866	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01865	3.2
55.05504	12.7
57.03424	2.3
57.06763	1.4
57.07048	2.4
59.05006	2.4
61.02917	3.5
65.03939	1.9
67.05495	11.9
69.03424	16.9
69.07065	12.0
69.95402	1.2
71.04996	4.4
71.61040	2.5
73.02923	1.7
79.05486	10.6
81.02931	1.7
81.03400	12.3
81.07049	34.4
83.04974	30.8
83.08630	8.5
85.02895	35.9
85.03416	1.9
85.06535	1.9
87.00828	12.4
91.05479	10.9
93.07036	31.4
95.04958	7.2
95.08598	43.6
97.02876	10.9
97.06544	2.0
99.04450	4.8
99.08102	2.7
102.64201	1.4
105.01863	11.4
105.07021	47.7
107.04958	2.3
107.07853	2.3
107.08585	46.1
109.02873	10.3
109.06493	6.9
109.10146	24.1
111.04408	4.8
111.08083	5.0
117.07035	7.1
119.08573	65.9
121.06496	3.7
121.10131	34.6
123.04408	3.4
123.08081	7.4
123.11694	10.8
125.06046	1.5
125.09600	14.4
127.03905	22.3
129.07016	5.2
130.62555	1.4
131.04942	1.8
131.08559	29.7
131.09491	2.1
133.10123	47.3
135.08080	1.9
135.11699	17.0
137.06030	2.3
137.09642	2.1
137.13274	2.2
139.03868	8.8
141.06917	2.2
142.07787	4.5
143.08556	12.2
144.09361	1.6
145.04944	3.2
145.10112	51.8
147.04326	1.6
147.08038	1.9
147.11671	34.2
149.09610	2.7
149.13242	18.7
151.07506	2.8
151.11140	1.4
151.14761	1.7
153.09088	3.2
155.08589	2.2
156.09396	2.4
157.10114	14.7
158.02805	1.4
158.10915	1.9
159.02905	3.3
159.08043	1.7
159.11673	35.8
160.12288	1.4
161.09619	3.1
161.13248	33.1
163.03903	5.0
163.07549	2.6
163.11188	2.8
163.14809	17.8
165.09160	1.9
167.07066	2.7
169.10130	4.1
171.11693	12.2
172.12517	1.6
173.13254	33.3
174.13968	1.6
175.11197	3.9
175.14804	33.4
175.16238	2.2
177.05461	1.6
177.09090	1.7
177.12732	3.9
177.16353	14.8
179.10547	1.4
179.14322	1.6
183.11702	4.0
184.12425	2.3
184.75334	1.4
185.13243	20.3
187.11177	2.6
187.14810	49.4
187.16403	2.8
189.12776	2.0
189.16362	25.3
190.16748	1.6
191.10782	1.6
191.14258	14.2
191.17934	8.1
193.12241	2.0
193.15875	1.9
195.11714	1.7
197.13261	5.3
199.14825	19.8
201.16371	69.8
202.16589	2.1
203.14326	18.2
203.17931	29.7
204.18375	1.9
205.15858	30.9
209.13274	2.6
211.14883	5.4
213.03905	4.3
213.16359	16.4
215.14334	4.1
215.17902	8.6
217.15872	11.6
219.10098	1.8
219.17441	9.3
221.15356	16.6
225.16341	5.5
227.18001	5.0
229.15878	5.2
229.19531	4.8
231.04973	4.4
231.13763	2.4
231.17383	7.1
233.15341	3.2
235.16940	5.2
237.16475	2.1
239.17976	2.4
241.19452	2.5
245.15352	4.6
247.16904	33.2
249.05934	1.5
249.14839	6.2
249.18507	2.9
259.16882	2.7
261.14935	2.2
261.18616	2.9
267.21091	2.4
272.49509	1.4
281.22565	2.3
301.09317	2.1
347.27328	2.5
369.27844	3.9
377.32010	2.7
387.29715	6.9
389.31799	3.4
393.27722	5.6
395.33185	1.5
397.36066	1.5
405.31491	29.0
406.31738	2.3
407.33099	14.3
411.28824	6.0
421.31015	4.3
423.32547	31.7
424.32712	3.8
425.34482	7.6
433.30908	17.1
439.31989	5.0
441.33609	15.6
447.18079	1.8
451.32043	50.6
452.32150	4.0
454.21506	1.6
469.33130	100.0
470.33615	7.0
487.34109	16.0
503.33585	1.8
504.34229	1.9
505.34570	4.3
521.21472	2.9
539.22296	3.9
623.75696	1.5
670.50531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01863	7.1
55.05505	4.7
57.03429	5.1
61.02913	4.5
63.74691	1.6
67.05492	11.9
67.32932	1.5
68.99802	2.7
69.03424	19.4
69.07063	10.2
71.04966	5.3
71.63506	2.7
73.02898	4.9
79.05484	8.6
79.73658	1.7
81.03408	22.7
81.07043	24.1
83.04969	3.5
83.08618	4.8
85.02898	53.2
85.03417	3.0
85.06570	1.6
87.00819	20.6
89.67796	1.6
91.03944	1.9
91.05470	9.7
92.50665	1.6
93.07028	21.7
95.04958	7.7
95.08598	43.8
97.02875	23.6
97.06538	3.5
97.10156	3.0
97.56668	1.8
99.04440	9.6
102.61835	1.7
105.01853	16.2
105.07015	30.3
107.08580	37.7
107.09283	2.8
108.04474	4.1
109.02872	24.1
109.06534	4.2
109.10132	26.2
110.38830	1.7
111.04424	1.9
111.08084	2.1
117.01857	1.8
117.07015	4.0
119.08562	34.1
119.09345	2.9
119.71495	1.5
121.06513	2.7
121.10130	28.5
123.04366	2.5
123.08041	3.7
123.11701	7.9
124.01685	1.6
125.09613	6.0
125.46437	2.0
126.05499	3.1
127.03904	32.5
129.01857	2.0
129.07007	2.2
131.08569	20.9
133.10124	31.6
135.08018	5.0
135.11699	14.5
137.09616	3.1
139.03848	2.8
143.08543	5.5
145.04935	12.1
145.10107	31.8
146.10429	1.8
147.04300	1.9
147.11673	24.4
149.09636	3.9
149.13252	19.9
151.11107	2.4
153.01753	2.2
153.09076	3.1
157.10091	9.5
159.02885	12.3
159.11656	23.8
161.09592	4.7
161.13251	21.4
163.11163	6.4
163.14792	22.5
167.10651	1.9
169.10181	1.9
171.11647	8.1
173.04478	3.1
173.13231	25.7
175.11241	3.6
175.14813	29.7
177.12779	4.3
177.16348	21.1
182.09647	2.0
183.11644	1.8
184.07417	1.9
185.13286	7.5
187.14807	42.8
189.16368	29.1
191.14278	28.7
191.17967	8.5
193.12178	3.7
193.15950	4.5
199.14783	10.2
201.16370	42.7
203.14313	10.5
203.17923	94.5
204.18431	1.7
205.15860	24.2
205.19518	3.5
207.17500	5.2
213.03955	5.9
213.16391	9.6
215.17953	10.0
217.15831	5.7
217.19493	4.2
219.17453	4.1
221.15337	21.7
223.16910	7.7
225.16258	1.9
227.17963	4.6
229.19495	3.9
231.05014	7.6
231.17288	4.1
231.21048	2.2
233.19354	1.9
235.16760	2.2
239.16272	2.6
241.19421	2.4
247.16823	9.6
248.07599	4.1
249.18437	19.5
253.63170	1.7
261.18317	3.8
267.15814	2.3
300.90561	2.1
377.32071	2.9
389.32013	9.1
395.28925	2.4
407.33099	42.3
409.34592	7.0
423.32492	7.3
425.34079	100.0
426.34387	2.7
427.36185	2.7
435.32516	18.1
441.33487	2.3
443.35223	15.4
453.33664	40.6
471.34668	51.0
475.26901	2.8
489.35739	3.0
532.31702	1.8
555.62573	1.9
611.50244	1.8
637.35742	2.0
701.38544	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01863	7.1
55.05505	4.7
57.03429	5.1
61.02913	4.5
63.74691	1.6
67.05492	11.9
67.32932	1.5
68.99802	2.7
69.03424	19.4
69.07063	10.2
71.04966	5.3
71.63506	2.7
73.02898	4.9
79.05484	8.6
79.73658	1.7
81.03408	22.7
81.07043	24.1
83.04969	3.5
83.08618	4.8
85.02898	53.2
85.03417	3.0
85.06570	1.6
87.00819	20.6
89.67796	1.6
91.03944	1.9
91.05470	9.7
92.50665	1.6
93.07028	21.7
95.04958	7.7
95.08598	43.8
97.02875	23.6
97.06538	3.5
97.10156	3.0
97.56668	1.8
99.04440	9.6
102.61835	1.7
105.01853	16.2
105.07015	30.3
107.08580	37.7
107.09283	2.8
108.04474	4.1
109.02872	24.1
109.06534	4.2
109.10132	26.2
110.38830	1.7
111.04424	1.9
111.08084	2.1
117.01857	1.8
117.07015	4.0
119.08562	34.1
119.09345	2.9
119.71495	1.5
121.06513	2.7
121.10130	28.5
123.04366	2.5
123.08041	3.7
123.11701	7.9
124.01685	1.6
125.09613	6.0
125.46437	2.0
126.05499	3.1
127.03904	32.5
129.01857	2.0
129.07007	2.2
131.08569	20.9
133.10124	31.6
135.08018	5.0
135.11699	14.5
137.09616	3.1
139.03848	2.8
143.08543	5.5
145.04935	12.1
145.10107	31.8
146.10429	1.8
147.04300	1.9
147.11673	24.4
149.09636	3.9
149.13252	19.9
151.11107	2.4
153.01753	2.2
153.09076	3.1
157.10091	9.5
159.02885	12.3
159.11656	23.8
161.09592	4.7
161.13251	21.4
163.11163	6.4
163.14792	22.5
167.10651	1.9
169.10181	1.9
171.11647	8.1
173.04478	3.1
173.13231	25.7
175.11241	3.6
175.14813	29.7
177.12779	4.3
177.16348	21.1
182.09647	2.0
183.11644	1.8
184.07417	1.9
185.13286	7.5
187.14807	42.8
189.16368	29.1
191.14278	28.7
191.17967	8.5
193.12178	3.7
193.15950	4.5
199.14783	10.2
201.16370	42.7
203.14313	10.5
203.17923	94.5
204.18431	1.7
205.15860	24.2
205.19518	3.5
207.17500	5.2
213.03955	5.9
213.16391	9.6
215.17953	10.0
217.15831	5.7
217.19493	4.2
219.17453	4.1
221.15337	21.7
223.16910	7.7
225.16258	1.9
227.17963	4.6
229.19495	3.9
231.05014	7.6
231.17288	4.1
231.21048	2.2
233.19354	1.9
235.16760	2.2
239.16272	2.6
241.19421	2.4
247.16823	9.6
248.07599	4.1
249.18437	19.5
253.63170	1.7
261.18317	3.8
267.15814	2.3
300.90561	2.1
377.32071	2.9
389.32013	9.1
395.28925	2.4
407.33099	42.3
409.34592	7.0
423.32492	7.3
425.34079	100.0
426.34387	2.7
427.36185	2.7
435.32516	18.1
441.33487	2.3
443.35223	15.4
453.33664	40.6
471.34668	51.0
475.26901	2.8
489.35739	3.0
532.31702	1.8
555.62573	1.9
611.50244	1.8
637.35742	2.0
701.38544	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01866	3.5
55.05502	24.4
57.03428	12.0
57.07060	3.9
61.02916	2.3
65.03936	4.7
67.05495	69.3
68.18281	0.9
69.03416	2.3
69.07058	19.1
69.78487	3.2
69.78900	2.4
69.98715	0.9
71.04980	5.2
71.08620	1.4
72.21498	0.8
73.02913	1.2
73.06555	2.0
77.03903	1.9
78.04684	0.8
79.05482	94.2
81.03415	9.2
81.07045	66.8
83.04966	12.2
83.08604	12.2
85.02890	2.5
85.06551	5.3
88.67565	0.9
91.05468	94.0
92.05808	1.0
93.07030	95.9
95.04957	25.8
95.08592	49.6
96.08976	1.0
97.02882	3.2
97.06537	6.4
97.10152	4.1
98.20745	1.1
99.08086	3.4
103.05454	3.0
105.04541	2.0
105.07015	82.9
107.04932	8.3
107.08577	36.9
109.06496	6.7
109.10139	12.7
111.08067	3.0
112.95193	0.9
113.09669	1.2
115.05437	2.1
116.06225	1.1
117.06997	22.6
119.08559	66.2
121.06490	4.0
121.10124	19.2
121.10950	0.7
123.08060	7.6
123.11701	2.8
125.09583	1.9
127.07585	1.5
128.06181	5.2
129.06985	24.0
130.07855	1.2
131.08560	23.4
133.06447	1.3
133.10112	43.3
135.08028	2.7
135.11674	17.2
137.09621	2.7
141.06931	1.8
141.09035	1.3
142.07802	1.6
143.08542	17.1
145.06442	1.4
145.10100	27.5
146.10519	1.3
147.08083	2.0
147.11665	66.5
148.12083	1.3
149.09552	2.4
149.13222	10.6
151.11142	1.9
155.08569	1.8
156.09343	1.4
157.10112	10.9
159.11670	18.9
161.09601	4.0
161.13225	38.1
163.11139	2.4
163.14780	2.7
165.12669	1.2
169.10089	4.6
171.11662	36.8
172.12135	1.0
173.13232	10.6
175.11116	1.4
175.14818	13.7
177.12741	3.3
181.10112	1.9
183.11687	3.4
184.07271	1.6
185.13222	9.9
187.11160	2.7
187.14819	2.7
189.12697	10.9
189.16333	1.1
195.11740	1.3
195.13705	1.0
197.13242	3.3
199.14859	5.6
199.43350	1.0
203.14296	1.6
205.12221	1.1
207.13774	21.6
209.13156	1.3
213.16389	4.1
215.17935	1.4
217.19510	1.6
223.14816	1.2
225.14680	1.1
231.17232	1.0
231.21062	5.7
239.17929	1.9
241.14397	1.5
241.19469	34.4
243.21051	2.5
257.18979	4.0
259.20541	67.8
260.20932	1.4
261.22113	4.1
275.20148	1.7
277.21704	1.2
279.15857	19.2
281.17441	77.4
282.17859	2.1
297.16925	2.8
311.25763	2.2
313.21603	1.5
315.23172	8.2
325.21716	1.1
331.22733	1.1
333.24197	53.8
349.17035	1.1
349.25467	1.1
365.15341	1.1
367.17917	1.3
419.33649	1.1
429.31299	2.9
447.32407	9.7
465.33752	8.8
483.34775	5.1
501.35745	1.0
504.26572	1.2
513.26874	2.2
513.76984	1.2
521.35944	3.8
529.38757	2.1
539.37268	100.0
540.37250	5.2
557.29553	1.8
557.38263	35.4
558.38300	1.1
647.39111	1.9
668.94623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
53.10788	1.9
55.01861	8.7
55.05505	28.6
57.03432	14.1
65.03918	3.3
67.05499	38.3
69.03416	11.3
69.07056	13.6
70.23382	8.3
71.04986	52.6
73.02911	2.2
74.05709	1.8
75.04492	2.4
79.05486	30.7
81.03424	15.6
81.07054	40.0
82.93841	1.8
83.04977	7.5
83.08614	16.0
85.02893	56.8
91.05471	33.0
93.07040	27.8
95.04958	42.4
95.08591	22.0
97.02892	5.3
97.06531	6.9
97.10145	10.6
99.04463	2.7
103.05456	3.2
105.07023	25.1
107.04939	13.8
107.08583	15.9
108.05712	2.1
109.02842	4.6
109.06506	5.6
109.10158	10.1
109.10856	2.0
111.00810	2.2
111.04436	3.1
117.06987	11.0
119.04912	3.2
119.08582	21.1
121.02867	5.0
121.06501	8.7
121.10139	8.4
123.08061	5.2
125.09618	5.4
129.05452	10.6
129.06941	9.7
131.08551	14.0
133.06496	4.1
133.10130	10.9
135.08012	5.7
135.11694	6.5
137.09613	4.5
139.03900	3.2
142.07813	2.2
143.08568	4.5
145.06451	3.4
145.10097	11.5
147.04395	2.2
147.06607	1.9
147.08034	9.6
147.11725	6.9
149.05977	2.1
149.09587	6.5
151.03879	2.6
153.01807	21.1
154.61824	1.8
155.08478	2.2
157.10106	4.8
159.11688	5.7
161.06058	2.3
161.09645	5.3
161.13234	2.3
163.03917	4.3
163.11192	10.7
165.01788	3.7
167.03435	4.7
171.11697	3.9
175.11151	5.6
177.01860	3.7
177.05452	3.2
177.12720	3.7
179.03395	2.4
183.02919	5.7
184.07303	2.3
185.05939	3.1
185.13408	2.7
187.03882	2.1
187.11214	2.2
189.11185	3.0
189.12708	2.2
191.03410	6.6
193.12279	4.2
195.02893	6.0
201.05499	3.6
203.03404	3.2
203.70662	1.9
205.01247	2.6
205.04945	6.1
205.12178	2.8
211.13208	3.9
215.03458	3.6
217.04984	6.4
219.02895	4.1
221.04390	2.3
223.13240	10.0
227.12752	2.2
229.04955	4.8
233.04469	7.8
241.05003	2.2
243.02939	3.7
243.06525	2.0
245.04471	8.2
247.05951	4.4
249.14803	4.2
257.04428	7.0
261.03937	17.2
267.15924	4.1
271.02203	2.4
271.05939	2.1
273.03989	6.6
273.18539	10.3
275.20071	7.1
281.21161	2.0
283.02872	2.4
283.15402	2.6
285.03937	5.6
285.17010	3.3
287.05502	2.7
289.03354	14.6
291.19504	20.0
292.20139	3.0
301.03433	7.5
301.16229	2.0
303.04977	8.7
313.03268	5.3
314.04330	2.8
315.05054	11.0
317.02905	67.6
318.03580	5.4
319.04346	14.7
323.05511	2.1
327.05060	4.9
329.02875	12.0
330.03662	8.5
331.04428	29.6
332.05048	2.9
339.04987	4.1
341.02768	7.6
343.04398	9.4
345.06067	2.4
349.23611	2.4
355.04449	9.6
357.05954	3.0
359.03934	32.7
359.07944	1.7
361.05530	6.6
365.23102	4.2
367.04178	4.5
369.05923	5.2
371.03851	5.0
381.06000	4.2
383.03891	5.9
383.08102	3.4
393.05856	2.8
395.03687	3.3
409.05527	5.4
411.07065	4.6
427.06509	4.2
445.07483	4.7
493.14496	2.2
521.14264	19.4
539.15283	14.1
545.14191	2.2
557.34723	3.6
563.15253	6.4
573.21094	4.3
575.35815	4.0
581.16138	6.1
591.22174	66.7
603.22247	4.9
609.23260	100.0
610.23596	2.9
615.22430	10.2
621.22882	6.1
633.23187	37.6
651.24323	63.7
657.23083	7.0
667.20264	3.5
675.23901	10.6
683.24445	4.7
701.25861	12.8
719.26758	16.7
737.27887	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	756.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04061	1.1
55.01720	1.2
55.01992	1.6
55.05346	6.1
55.05647	7.5
57.03264	2.9
57.03587	3.8
67.05312	9.1
67.05723	6.7
69.03233	1.7
69.03629	1.6
69.06868	2.6
69.07288	1.8
71.04790	2.1
71.05212	1.0
71.13974	0.8
71.14275	0.9
79.05281	11.4
79.05799	5.7
81.03204	28.9
81.03741	12.7
81.04059	1.4
81.06837	11.2
81.07380	4.9
83.04771	2.7
83.05305	1.1
83.08396	10.5
83.08962	4.2
85.02702	1.4
85.06384	1.4
87.04233	0.6
91.05251	10.4
91.05884	3.6
93.06811	11.3
93.07478	3.7
95.04734	16.5
95.05414	4.8
95.08363	4.9
95.09035	1.4
97.02706	1.4
97.03247	0.6
97.06286	2.0
97.09933	10.4
97.10637	2.9
99.07880	0.7
105.06779	8.4
105.07552	2.0
107.04705	9.2
107.05494	2.0
107.08339	7.9
107.09147	1.7
109.06265	7.0
109.07072	1.4
109.09908	3.9
109.82806	0.6
111.04243	1.0
111.07819	3.8
111.08648	1.4
113.05804	1.0
115.05251	0.7
117.06759	3.4
119.04749	1.0
119.08319	8.5
119.09227	1.7
121.06233	8.0
121.07207	1.5
121.09879	6.5
123.04233	1.5
123.07794	3.1
123.11450	1.6
125.05769	1.0
125.09351	11.9
125.10377	2.0
129.06734	7.2
129.07762	1.2
131.04698	1.1
131.08292	8.1
131.09357	1.2
133.06226	3.4
133.09853	3.7
133.10907	1.2
135.07776	4.4
135.11450	1.3
137.05742	1.0
137.09396	1.4
139.03665	0.6
139.11038	0.9
141.06699	1.1
142.07587	1.4
143.08263	2.0
145.06201	4.7
145.09833	3.9
147.07742	3.9
147.11404	5.7
149.09323	4.4
153.08803	3.5
153.12479	1.0
155.08298	1.9
157.06206	1.2
157.09833	5.5
159.07758	1.7
159.11412	2.0
161.05745	1.0
161.09390	1.4
163.10909	3.4
165.12549	1.3
167.08383	0.7
167.10414	1.1
169.09811	1.8
171.07785	2.0
171.09862	0.7
171.11394	1.9
173.09335	2.0
173.13017	1.5
175.10875	5.0
177.12526	0.8
181.09894	1.1
181.11351	0.7
183.11559	1.3
185.09497	1.0
185.13025	1.1
187.10968	1.3
187.14545	1.2
189.10915	6.2
189.12585	1.6
191.13988	1.8
193.12234	14.7
195.11447	1.7
197.09424	0.8
197.13051	1.2
199.10989	1.3
199.12759	0.8
205.11961	1.6
205.15730	1.0
209.13063	0.8
211.11053	0.8
211.13013	2.1
213.12543	1.4
215.13974	2.5
217.12132	1.1
219.13510	1.9
223.10977	0.7
223.12984	1.3
225.12506	0.9
227.12579	2.9
231.13531	1.2
233.15332	3.6
235.13103	0.7
235.55988	0.6
237.12570	1.5
239.14096	0.7
241.14110	0.8
245.15227	1.0
249.14597	1.5
255.13522	2.5
259.13007	1.3
267.15881	36.9
271.16718	0.7
273.14731	7.4
275.16370	0.8
287.16003	0.8
311.16211	0.6
321.21960	1.2
331.20044	0.6
339.22961	2.4
349.21625	4.8
349.84457	0.6
357.23941	2.3
367.18295	1.1
367.22629	14.2
385.23688	22.2
403.24719	7.8
423.25021	0.8
441.26340	9.1
459.27353	100.0
460.27768	2.1
477.28452	94.9
478.28534	1.6
491.30014	11.2
491.36105	0.4
501.28409	1.7
509.31229	5.8
517.28937	0.6
519.30072	0.8
541.34290	1.6
555.31140	0.7
567.29547	1.9
660.31293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01861	11.9
55.05508	15.4
57.03432	9.1
65.03922	1.4
66.02232	0.8
67.05498	30.0
69.03423	2.9
69.06705	1.7
69.07062	20.4
71.04554	1.5
71.04982	4.7
79.05486	28.8
81.03412	32.4
81.07048	44.1
83.04969	12.3
83.08612	15.4
85.02901	15.7
85.06528	1.9
86.09686	1.2
91.05472	48.6
93.07036	28.1
95.01322	5.7
95.04960	19.6
95.08598	23.5
97.02895	3.0
97.06521	22.8
97.10158	3.5
99.08076	1.8
103.05460	1.2
105.07021	65.7
107.04937	13.8
107.08587	15.3
109.06489	5.7
109.10149	7.0
111.04407	2.4
111.08078	6.3
113.05956	1.7
115.05446	1.5
117.07006	10.0
119.08568	36.1
121.06497	3.9
121.10130	8.9
123.04449	0.9
123.08067	4.4
123.11699	3.0
125.09620	2.9
129.06978	6.8
130.07930	0.8
131.08553	22.9
133.06444	2.1
133.10117	36.9
135.08063	2.9
135.11687	7.4
137.09595	1.8
141.07018	1.1
142.07785	2.1
143.08578	2.1
145.06485	2.1
145.10092	13.5
147.08026	2.1
147.11671	18.9
149.09584	9.5
149.13269	4.2
151.11211	1.2
155.08577	1.5
157.10118	10.3
159.11681	7.6
161.09683	1.2
161.13249	3.2
163.11153	4.4
165.09058	1.3
165.12682	1.9
169.10149	1.7
171.11687	2.1
173.13274	1.6
175.11154	8.9
177.12727	3.4
179.14334	8.1
183.11716	1.0
184.07352	1.8
187.11229	2.9
193.12230	20.6
197.13283	1.3
205.12346	0.9
211.13269	18.6
215.17859	0.9
223.21263	0.9
227.12625	1.2
239.18051	1.2
247.20547	1.1
257.19052	3.9
267.15887	32.3
275.20044	64.5
276.20370	1.3
279.15884	1.9
285.16934	61.8
293.21097	2.4
301.16333	1.6
333.24094	1.1
349.23709	32.6
461.28879	2.0
465.88824	0.9
474.75760	0.9
537.38184	0.9
541.35211	60.4
542.35468	2.6
559.36267	100.0
560.36469	3.9
577.37274	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01615	0.9
55.01868	10.4
55.05507	12.5
57.03431	9.5
57.07086	0.7
59.04968	0.8
59.52304	0.7
61.02909	0.9
61.30929	0.7
65.03934	1.4
67.05495	31.6
69.03423	3.8
69.07062	20.3
69.86747	0.6
70.80257	2.3
71.04979	3.3
73.02920	0.8
73.27280	0.6
79.05485	29.6
81.03408	29.8
81.07046	46.5
83.04970	9.6
83.08610	15.0
83.09093	1.1
85.02900	17.7
85.06529	3.1
85.15041	0.8
86.09703	1.3
89.75571	0.7
91.05469	48.2
92.05759	0.9
93.07031	29.7
94.07353	1.0
95.01332	4.6
95.01898	1.1
95.04958	18.0
95.05542	1.3
95.08592	23.3
97.02886	3.2
97.06518	20.0
97.10110	3.7
97.27595	0.7
99.08060	1.2
103.05451	1.7
105.07017	61.7
107.04942	13.1
107.08581	13.8
109.06493	5.2
109.10134	7.0
111.04453	1.4
111.08073	5.9
113.05986	1.9
113.09653	0.9
115.05433	1.1
117.06987	9.5
119.04959	1.0
119.08566	35.6
121.06525	2.9
121.10134	10.6
123.04430	2.0
123.08081	4.9
123.11720	1.8
125.09577	1.5
129.06984	7.2
131.08548	21.4
133.06476	2.1
133.10112	33.9
134.10477	1.2
135.08064	3.0
135.11667	4.9
137.09573	2.4
137.13243	0.9
139.07584	0.9
141.06972	1.8
142.07779	1.6
143.08548	3.3
145.06512	1.6
145.10094	12.7
147.08041	1.6
147.11668	19.3
147.12772	1.4
149.09602	8.0
149.13223	3.6
151.11154	1.6
155.08551	1.4
157.10104	9.8
159.11668	8.3
161.09567	0.8
161.13222	4.3
163.11163	4.1
165.09093	1.5
165.12679	1.7
169.10126	2.1
171.11632	1.0
173.13261	2.1
175.11140	7.9
177.12753	3.3
179.14275	8.7
183.11749	1.2
184.07324	4.5
185.13240	1.4
187.11214	1.7
193.12221	17.6
197.13307	1.6
205.12318	0.8
211.13246	19.2
229.19522	0.9
239.18019	2.0
247.20660	1.4
249.14923	0.8
257.18918	4.9
259.20529	1.2
267.15894	27.6
268.16199	1.2
269.17404	1.7
275.20035	54.4
276.20517	2.6
279.15921	2.0
283.15375	1.3
285.16928	56.3
286.17151	1.3
293.20926	3.6
333.24316	1.6
349.23688	35.6
350.24197	1.6
394.95160	0.8
405.54318	0.9
411.19824	0.9
429.21558	0.9
447.27640	1.3
461.28885	2.4
541.35199	57.4
542.35834	4.0
559.36224	100.0
560.36597	7.4
577.37164	2.0
703.40149	1.6
729.97241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.217
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03929	0.4
55.01851	0.4
55.05494	1.3
57.03429	3.4
59.04977	0.4
61.02911	0.5
61.93362	0.2
63.61182	0.3
63.79374	0.3
66.88063	0.3
67.05469	0.4
67.40103	0.3
68.36466	0.3
68.99776	0.4
69.03423	3.4
71.01332	0.7
71.04983	23.9
71.45810	0.8
73.02897	1.9
75.04447	0.9
78.26907	0.3
81.03390	0.8
81.07028	0.5
83.04969	7.0
85.02894	33.9
87.04440	1.0
95.04944	0.8
97.02865	1.4
97.06505	0.4
99.04465	1.8
106.25922	0.3
109.02862	1.1
111.00773	0.8
111.04424	5.6
112.58038	0.3
113.05975	0.7
117.05468	1.3
117.06943	0.3
117.14342	0.3
121.02827	0.7
121.06467	0.4
123.04382	0.4
126.01199	0.3
127.03908	1.7
129.05464	9.8
137.02309	2.4
139.03842	0.7
141.02592	0.3
145.04941	0.6
147.06505	3.3
149.02321	0.6
149.05963	0.4
149.09720	0.3
153.01805	4.5
153.05444	1.3
159.06531	0.4
163.03896	0.7
163.05948	2.1
165.00667	0.3
165.01804	1.9
171.06438	0.6
183.02876	0.8
183.06438	0.3
184.07202	0.4
187.04018	0.4
195.02934	0.4
201.05492	1.0
201.07597	0.6
213.05444	0.3
213.07526	0.6
219.03070	0.3
226.69170	0.4
229.04927	2.9
239.09007	2.0
245.04510	0.6
247.05952	0.5
257.04407	2.2
257.06674	0.3
257.10101	1.0
273.04187	0.4
274.04742	0.5
275.11179	1.2
285.03885	0.9
293.12289	0.5
303.04953	100.0
304.05182	2.1
315.04822	0.7
319.04456	13.3
331.04443	2.1
343.04501	1.3
345.06107	1.0
361.05530	5.1
373.05206	0.5
385.05438	1.3
411.07028	0.7
429.08041	1.7
447.08908	1.7
447.21368	0.7
448.21371	0.4
449.10724	2.2
465.10223	8.0
507.11395	0.3
557.12762	0.5
599.36731	0.4
611.15753	2.8
747.07159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2177
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01853	0.4
55.05500	1.1
57.03430	5.4
58.31752	0.3
59.04987	0.3
59.95288	0.3
61.02917	1.1
65.28038	0.3
68.99806	0.7
69.03426	2.8
71.01345	0.5
71.04984	31.4
71.34286	0.4
72.05344	0.3
73.02913	2.5
73.26426	0.2
75.04478	1.6
79.05460	0.3
81.03433	1.3
83.04969	4.2
85.02895	42.5
86.03250	0.4
87.04436	1.0
87.98117	0.2
91.05497	0.3
95.04932	0.7
97.02892	1.2
97.06491	0.4
99.04449	1.2
107.04925	0.4
109.02867	0.8
111.00814	0.9
111.04429	3.1
113.06026	0.6
117.05484	1.5
121.02839	2.1
121.06509	0.3
123.04411	0.8
125.05963	0.3
127.03870	1.9
129.05463	11.7
135.04428	0.6
137.02303	3.0
139.03897	0.9
145.04939	1.0
145.06490	0.2
147.04388	0.7
147.06514	3.0
149.02348	0.6
149.88472	0.3
150.11226	0.2
151.03929	0.5
153.01814	3.4
153.05423	1.3
157.04993	0.5
157.06389	0.3
158.62476	0.2
159.06511	0.4
161.05928	0.3
163.03893	1.0
163.05969	1.6
165.01797	2.5
165.05548	0.2
166.02525	0.3
167.03326	0.3
168.23724	0.2
171.06538	0.6
179.03400	0.6
183.02826	1.2
183.06396	0.3
185.05914	0.3
194.80316	0.3
201.05453	0.9
201.07349	0.3
203.03380	0.3
213.05486	0.8
215.03484	0.2
229.04932	2.5
231.06459	0.6
239.09116	1.3
241.04863	0.6
245.04289	0.3
247.06076	0.7
251.62057	0.3
257.04398	2.2
257.10190	0.5
258.05237	0.6
259.06000	0.7
274.04651	0.5
275.11157	0.8
285.03915	1.0
287.05463	100.0
288.05832	1.5
289.07059	0.4
299.05353	0.4
303.04953	86.3
304.05267	1.1
306.01068	0.3
315.04962	1.5
327.04987	0.7
329.06393	0.5
341.06723	0.4
345.06012	3.3
361.04187	0.4
369.05865	0.7
395.07382	0.8
401.10995	0.4
413.08603	1.7
431.09622	1.4
449.10748	29.2
450.10913	0.3
465.10251	27.3
479.87668	0.3
611.16180	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.4
55.01868	3.4
55.05507	7.0
56.96533	0.8
57.03428	10.0
58.12004	0.5
58.20536	0.6
59.04977	1.0
63.76289	0.6
65.03880	0.5
67.05497	13.9
68.99764	1.2
69.03422	3.2
69.07069	6.6
71.01136	0.8
71.01486	0.8
71.04984	56.1
73.02884	1.1
73.13835	0.7
75.04425	2.1
76.84595	0.6
79.05479	11.2
81.03400	3.1
81.07047	24.6
82.07346	0.7
83.04986	4.7
83.08560	2.7
85.02893	57.4
85.06503	0.9
86.03170	0.7
87.04404	2.0
87.04894	0.6
91.05472	8.7
93.03383	0.7
93.07030	8.4
95.04957	4.8
95.08056	0.6
95.08585	9.2
97.02865	0.6
97.06476	2.1
97.10111	2.6
99.04444	1.4
105.07013	8.3
107.04908	1.0
107.08570	5.5
109.02838	1.4
109.06472	2.3
109.10141	3.9
111.04461	3.1
111.08052	1.7
115.05413	0.9
117.07005	3.4
119.08573	8.3
121.02798	2.0
121.06434	1.2
121.10114	4.3
123.08009	2.9
123.11642	2.4
125.02258	0.7
125.09599	1.8
127.03811	1.7
127.86005	0.6
129.04616	0.8
129.05475	11.1
129.06943	1.9
131.08492	2.5
133.10104	4.6
135.08003	1.1
135.11610	1.9
137.02324	8.1
137.09558	1.0
139.03836	1.4
141.01779	1.5
143.03400	0.7
143.08467	1.7
145.06438	1.0
145.10077	3.0
146.10451	0.7
147.04419	0.8
147.06496	1.6
147.11678	4.3
149.02332	0.9
149.05907	0.8
149.09557	2.3
153.00703	1.1
153.01819	14.4
155.08414	0.7
157.10063	1.4
159.11629	1.7
163.03867	1.2
163.11127	1.8
165.01802	4.5
171.11655	1.3
173.05959	1.2
175.03842	1.1
175.11002	0.6
177.01797	1.0
177.05554	0.7
179.03336	1.9
183.02838	2.8
183.11685	0.8
184.07312	0.8
185.06064	0.8
185.13316	0.8
189.01796	0.8
189.11150	1.1
191.03317	1.6
199.03760	0.6
199.14784	0.9
201.05374	2.2
203.03346	1.7
207.02777	1.4
211.03896	1.2
211.13033	0.9
215.03287	1.0
215.06987	0.7
217.04909	1.6
229.04907	4.3
231.02907	0.7
241.04842	1.1
243.06721	0.7
255.06422	1.0
257.04495	4.4
257.08032	0.7
269.04388	0.8
271.05984	1.0
273.03857	1.1
273.18491	0.9
275.20010	2.6
283.05807	0.9
285.03912	2.6
287.05386	0.9
291.19504	2.6
293.21152	1.0
299.05521	2.3
301.03412	1.0
302.04187	0.9
303.04959	44.7
304.05225	2.3
311.05490	2.2
313.03442	0.7
315.04950	12.2
319.04398	6.7
327.04956	5.4
328.05719	1.0
329.02768	2.2
329.06580	2.5
331.04437	91.9
332.05051	4.5
339.05002	6.9
341.06384	2.0
342.03784	1.3
343.04495	8.0
343.08176	1.4
344.05002	2.0
345.02496	0.9
345.05957	6.1
352.05737	0.9
353.06558	4.7
355.04443	14.4
355.08011	0.7
356.05005	3.8
357.02283	1.4
357.06033	10.9
361.05353	0.9
365.06543	1.9
367.04114	0.7
367.08289	1.6
368.05005	1.2
369.05984	11.6
370.06635	0.9
371.03757	1.1
373.05405	6.4
377.06522	1.7
381.05844	3.4
382.06671	1.2
383.07434	1.6
385.05286	1.0
391.07935	1.1
393.05792	1.5
395.06903	4.9
395.11340	3.8
397.05453	1.9
398.25977	0.8
399.05701	0.8
399.10760	14.0
401.12280	2.1
405.09769	1.6
407.11456	10.2
409.09058	2.3
410.09781	1.3
411.10791	27.5
412.11069	1.0
421.09216	1.3
423.10883	6.1
424.11331	1.1
425.12677	1.4
427.10168	2.6
435.10754	0.9
437.12518	1.0
441.11911	0.9
449.12402	1.4
453.11765	2.6
455.13303	1.1
455.30640	0.7
477.15616	1.0
479.16718	4.1
489.15692	1.7
491.17221	0.9
492.31961	1.1
492.81989	1.4
495.16907	1.7
504.32904	0.7
505.14902	0.8
507.16418	10.4
513.18011	0.8
519.16467	1.8
521.17651	0.8
523.16174	1.3
525.17633	3.6
527.15405	1.5
531.30035	1.1
537.17480	2.4
539.18774	2.1
547.23553	1.5
549.17596	1.2
557.21954	2.0
559.23212	0.9
575.22675	33.5
576.22925	2.0
577.24243	1.1
593.23737	100.0
594.23999	6.9
599.22089	1.1
605.23553	1.9
611.24774	60.2
612.25006	2.8
617.23419	3.3
635.24805	9.2
636.25171	1.0
653.26019	3.5
659.24719	2.1
677.25775	1.9
685.26147	1.5
703.27155	4.5
721.27954	4.6
739.29370	3.5
740.30609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.8
53.03924	2.6
55.01864	4.1
55.05260	1.0
55.05505	19.2
57.03429	5.4
59.04990	0.8
65.03925	2.1
67.05497	21.8
68.99792	1.1
69.03425	8.6
69.07064	9.1
70.54980	2.4
71.01328	0.8
71.04986	32.7
73.02908	1.4
75.04464	1.2
79.05051	1.2
79.05484	17.0
79.20587	0.7
80.46725	0.8
81.03413	5.0
81.06565	1.4
81.07048	28.7
83.04988	4.3
83.08606	10.0
85.02895	33.5
85.06465	0.8
87.04456	1.2
90.70622	0.7
91.05474	16.9
91.59457	0.7
93.07025	14.3
95.04958	10.3
95.08593	13.5
97.02888	4.2
97.06528	3.6
97.10151	2.1
98.21427	0.7
99.04429	1.3
99.08083	0.9
103.05460	0.8
105.07013	13.8
107.04924	4.8
107.08578	9.3
109.02837	2.9
109.06502	5.1
109.10147	6.3
111.00789	2.0
111.04431	2.5
111.08043	2.6
115.05418	1.2
117.06998	6.1
119.08566	11.6
121.02850	1.5
121.06457	2.4
121.10137	6.4
123.04396	1.1
123.08041	4.2
123.11669	1.4
125.02359	0.9
125.09621	2.1
127.03883	4.9
128.06239	0.9
129.05481	4.2
129.06999	3.0
131.04906	0.9
131.08553	7.4
133.06483	1.7
133.10123	9.0
135.08029	3.0
135.11670	3.8
137.02318	5.6
137.09566	1.8
139.03899	1.8
141.06938	1.5
143.03380	0.9
143.08559	1.8
145.06561	1.4
145.10123	6.5
147.06519	1.2
147.08011	2.8
147.11652	6.9
149.09596	5.9
149.13274	2.1
151.11168	1.3
153.01805	28.3
155.08490	1.8
157.10112	3.0
159.08073	1.3
159.11636	4.0
161.09570	2.1
161.13260	1.3
163.03862	2.7
163.11198	5.1
165.01807	5.6
165.12698	1.5
167.08496	0.9
169.10065	2.0
171.11674	2.3
173.05962	1.0
173.09601	1.8
173.13225	2.8
175.03894	1.0
175.11197	1.8
177.01810	2.3
177.05499	0.9
179.03366	2.2
183.02899	2.9
183.11604	2.3
185.13167	1.1
187.11157	1.4
187.14819	0.9
189.01852	1.4
189.16380	1.1
191.03412	2.0
191.10680	0.9
193.12260	0.9
195.02867	2.1
195.11671	0.8
195.13745	0.8
197.06036	1.2
197.13120	0.9
199.04031	1.3
201.05475	2.5
203.03352	1.8
203.06937	0.9
211.14792	1.5
213.05391	1.0
215.03354	1.5
217.04950	2.6
219.02957	1.6
223.13254	1.6
225.05469	1.1
229.05083	4.9
233.04341	1.3
239.17976	1.6
241.04968	1.0
245.04428	3.1
255.06548	0.9
257.04462	3.9
257.18997	2.5
271.05887	1.1
273.03983	2.3
273.18396	1.1
274.04593	0.8
275.20026	16.6
276.20447	0.8
285.03937	1.7
289.03470	0.9
290.03909	0.9
291.19476	2.3
293.21060	6.9
295.05899	1.3
299.05579	2.0
301.03436	1.8
303.04959	100.0
304.05295	3.0
311.05569	1.6
313.03473	1.3
314.04077	1.1
315.04840	3.4
317.03098	1.0
318.03687	2.3
319.04456	30.3
320.04596	1.1
323.05618	1.7
323.09082	0.9
327.04968	3.3
329.03036	0.9
329.06729	1.2
331.04443	30.4
332.04871	1.3
339.05008	2.2
341.06476	1.8
342.03720	1.8
343.04443	6.6
345.05984	7.2
351.05188	1.2
352.05341	0.8
353.06250	1.1
355.04428	14.3
355.08456	1.3
356.05243	1.1
357.05991	7.7
361.05756	1.4
365.06808	0.9
369.06021	9.9
373.05591	1.7
375.25284	0.9
379.04184	2.0
381.05887	5.0
383.03525	0.9
383.07748	1.2
383.22119	1.5
384.04871	1.2
385.05539	2.0
393.06061	1.7
394.06784	1.4
395.07401	6.3
397.05380	1.7
401.23050	3.0
401.31702	0.8
407.07336	1.3
407.11957	1.0
411.07040	3.2
419.24283	1.5
419.33652	0.9
421.09390	1.0
423.06799	1.5
425.12292	1.5
429.07376	0.9
437.12473	4.8
439.13998	2.1
441.11734	2.1
451.14163	1.8
463.13977	1.6
467.13373	2.5
477.15820	0.8
481.15051	2.3
483.16476	14.0
491.12991	1.3
501.17438	7.0
505.14758	1.9
507.16641	1.9
509.14368	1.8
511.16342	1.0
523.15942	8.7
524.15845	1.0
525.17194	0.9
552.96143	0.8
575.22803	11.2
577.24579	3.8
593.23761	56.3
594.23645	2.9
595.25323	2.2
599.23120	1.5
605.23761	4.0
611.24829	42.3
612.24890	2.7
617.23785	11.7
635.24799	10.0
636.25458	1.3
641.23444	1.2
653.26056	1.8
657.26544	0.9
659.24469	3.9
667.25122	3.3
677.26007	3.7
685.26111	12.0
686.26117	1.0
703.27271	7.5
704.27509	1.1
721.28296	2.6
739.28632	1.4
757.40417	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01859	3.0
55.05258	0.8
55.05507	10.5
56.96569	1.2
57.03430	8.5
57.07059	1.9
61.02914	1.0
64.22080	0.7
65.03922	0.9
67.05494	16.2
68.99797	0.9
69.03417	2.0
69.07061	7.1
70.29057	2.6
71.01389	0.6
71.04984	56.2
73.02914	1.5
75.04461	1.6
79.05481	13.9
81.03405	4.0
81.06566	1.4
81.07047	25.9
82.07367	1.0
83.04965	4.5
83.08605	4.2
85.02895	54.9
85.06542	1.2
86.06067	0.7
86.09675	0.8
87.04461	3.1
88.43069	0.6
89.06016	2.6
91.05464	10.8
92.05762	0.7
93.07027	10.3
95.04970	5.9
95.08598	8.3
97.06519	2.7
97.10158	2.9
99.04449	1.2
105.07021	7.5
106.40784	0.6
107.04944	2.6
107.08584	7.8
109.02858	1.8
109.06532	3.5
109.10136	5.6
111.04435	3.0
111.08104	0.8
112.34757	0.6
117.06995	3.4
119.08571	9.7
120.08906	0.7
121.02863	1.7
121.06516	1.6
121.10132	4.6
123.04369	1.0
123.08075	3.0
123.11688	1.8
125.09627	3.1
127.03873	1.6
129.05476	10.0
129.07007	2.3
131.08575	4.3
133.08607	1.0
133.10135	4.3
135.08047	1.6
135.11713	2.3
137.02336	9.5
137.09601	1.2
139.03880	1.8
140.22736	0.7
141.01843	1.2
141.57040	0.7
143.08546	1.4
145.06462	1.0
145.10091	5.0
147.06573	1.2
147.07962	1.2
147.11711	3.4
149.02339	0.8
149.09586	2.6
151.03909	0.6
153.01810	14.6
155.08554	0.8
157.10124	1.7
159.11691	2.7
161.13228	0.8
163.03903	2.3
163.11194	2.7
164.04668	0.8
165.01823	3.9
165.12785	0.9
171.11623	1.6
171.13766	5.6
173.13274	1.9
175.03943	1.1
175.14810	0.8
179.03394	1.4
181.12292	0.7
183.02856	3.2
184.07211	1.3
185.13245	1.0
187.04005	1.4
187.14784	1.6
189.01849	0.8
189.11197	1.4
191.03441	1.4
193.12207	0.9
199.14815	1.1
201.05423	1.2
201.16333	0.9
203.03349	1.3
203.17862	0.6
205.04878	1.0
207.02957	1.5
213.05524	1.5
215.03401	0.7
217.05017	0.8
219.02895	1.1
221.04425	0.9
229.04944	4.3
233.04292	0.8
241.04866	1.5
243.02953	0.7
245.04497	1.0
247.05991	1.3
253.04938	1.0
257.04437	4.1
269.04568	1.0
271.05988	1.1
273.03995	1.5
273.18481	1.3
274.04611	0.7
275.20074	1.8
281.04422	0.9
283.05978	0.8
285.03955	2.8
291.19485	3.6
299.05566	2.2
301.03305	1.1
302.04214	0.8
303.04968	58.9
304.05386	1.2
311.05325	1.6
313.03406	1.6
315.04938	17.0
316.05658	1.0
319.04425	5.4
323.05688	0.8
326.04184	0.7
327.04990	7.9
328.05640	0.8
329.02872	2.6
329.06503	1.5
330.03513	0.9
331.04446	80.4
332.04697	3.4
339.04965	7.7
340.05780	2.0
341.06427	3.7
342.03571	0.8
343.04465	7.6
344.05295	1.2
345.02338	1.1
345.06082	5.0
347.04196	1.1
352.05750	0.9
353.06577	6.0
355.04492	15.4
356.05060	3.4
357.02271	1.4
357.06082	9.4
357.09964	1.3
359.03775	1.0
365.06198	1.7
367.04218	1.3
367.08295	2.0
368.04971	0.9
369.05942	7.7
369.09518	0.8
371.03815	0.9
373.05411	4.5
377.06390	1.3
379.08118	1.2
381.06107	2.4
383.07507	1.1
383.11642	0.9
385.05389	1.1
391.08093	1.3
393.05734	1.1
393.10254	0.9
395.07510	3.0
395.11966	3.8
397.05536	2.3
399.10797	14.4
401.12314	1.4
403.07889	0.9
407.11429	11.7
409.09122	1.9
410.10196	0.9
411.10760	26.7
412.10898	1.2
421.09146	1.6
423.10751	7.3
425.12503	1.1
427.10254	2.5
435.10660	1.4
453.11746	1.9
479.17004	3.7
489.15286	1.4
491.17261	1.2
492.31750	2.4
492.81802	2.0
493.32648	0.8
495.16302	1.6
507.16440	10.9
514.81384	1.4
519.16589	2.2
521.17981	1.1
523.16260	1.5
525.17542	3.2
527.15356	1.0
531.30206	1.5
537.17468	3.0
539.19269	1.2
547.23151	2.1
549.17700	1.0
557.21985	3.4
559.23029	0.8
575.22693	37.5
576.22919	1.8
577.24213	1.4
589.24811	1.1
593.23749	100.0
594.24402	5.6
595.25360	1.0
599.23248	1.2
605.23615	1.3
611.24786	55.7
612.25201	2.4
617.23907	4.6
635.24811	9.9
641.22986	0.9
653.25507	2.9
659.24908	1.9
677.25952	1.6
685.26312	1.9
703.27533	4.7
721.28241	3.2
736.95502	0.8
739.29541	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	757.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01858	3.6
55.05503	7.1
57.03433	6.5
59.66771	0.8
61.02897	1.3
65.03925	1.1
67.05501	15.1
69.03425	6.9
69.03767	1.2
69.07060	7.3
70.81741	0.8
70.82069	2.1
71.01350	1.0
71.04987	43.1
73.02910	1.5
75.04438	1.3
75.20993	0.7
79.05484	11.5
81.03403	2.9
81.06567	1.3
81.07050	26.6
83.04990	3.8
83.08617	2.7
85.02897	40.0
85.06532	0.9
87.04455	1.4
90.39213	0.7
91.05480	8.1
93.07050	8.0
95.04967	3.7
95.08586	6.7
97.02886	1.1
97.06507	1.4
97.10161	0.9
105.07023	6.9
107.04957	1.4
107.08568	4.4
109.02849	1.3
109.06498	2.5
109.10149	2.5
111.04462	2.0
115.05491	0.8
117.07020	2.0
119.08561	4.2
121.02859	0.7
121.06533	1.1
121.10149	3.9
123.04434	0.9
123.08102	2.0
123.11709	2.2
125.02357	1.4
129.05473	7.6
129.06972	0.8
131.08560	3.2
133.10135	3.0
135.08055	1.1
135.11707	0.9
137.02327	2.4
139.03902	2.4
143.03441	1.0
145.10133	1.7
147.08003	0.8
147.11684	3.8
149.09590	0.9
149.13281	1.2
151.03934	0.9
153.01819	27.5
159.11691	1.3
161.13414	0.8
163.03877	1.8
165.01799	4.3
165.12697	1.3
166.02522	0.8
171.11707	0.9
173.13243	0.9
175.03905	2.4
177.01814	1.3
179.03404	2.6
183.02908	2.5
187.03889	1.6
189.01926	1.2
191.03403	2.3
193.12088	0.9
201.05479	1.0
203.03456	3.2
205.04976	1.0
207.02907	1.5
211.03981	0.8
213.05577	1.2
215.03410	1.7
215.07086	0.8
217.05000	2.0
225.05534	1.8
227.06978	0.9
229.04889	3.0
233.04474	1.6
235.89983	0.8
241.05061	1.0
245.04570	1.8
245.07973	1.1
252.15453	0.8
253.05026	0.9
257.04492	2.1
258.25836	0.8
273.04050	1.8
275.20001	3.3
285.04095	1.7
289.03314	1.4
290.04407	1.0
293.08200	0.8
293.21112	1.0
295.05945	1.1
297.04153	0.7
299.05435	1.1
303.05072	2.9
311.05588	1.3
313.07074	1.0
315.04974	4.0
317.02701	0.7
318.03870	1.4
319.04462	16.6
320.04727	1.0
327.05093	1.3
329.06598	2.2
330.03699	0.8
331.04456	65.1
332.05051	2.9
333.06152	2.0
339.05338	1.3
341.06589	1.2
342.03821	2.9
343.04468	9.8
343.08191	1.0
344.05191	1.3
344.32782	0.7
345.02353	1.5
345.06119	5.4
353.06418	1.3
355.04440	18.2
355.08420	1.5
356.05249	3.7
357.02231	1.9
357.06018	12.8
358.03000	1.0
359.03940	1.8
367.08173	1.2
368.05295	2.2
369.05951	12.8
371.07629	1.2
373.05490	2.0
381.05975	8.6
381.10107	1.1
382.06683	1.2
383.07602	1.9
383.11725	1.2
385.05615	1.9
393.06213	1.8
395.07532	7.7
395.11246	0.8
397.05511	2.6
399.10776	18.9
401.12247	8.5
407.07507	2.0
408.08405	1.0
409.09149	3.6
410.09921	2.1
411.10754	28.0
421.08923	1.6
423.05859	1.1
423.11166	12.5
425.12354	1.8
427.10306	2.8
435.10968	0.9
437.12341	2.0
451.13986	1.1
453.11819	3.0
465.11465	1.0
491.13638	0.8
495.16556	2.6
503.13342	2.8
507.16333	3.6
511.16388	1.4
513.19250	1.2
519.16577	2.5
521.13770	5.4
523.15900	2.1
524.16620	1.0
525.17694	1.8
531.16339	1.5
537.17651	10.1
538.18481	1.1
539.19214	2.6
549.17297	1.0
565.24426	1.3
575.22784	19.3
575.31525	0.9
577.23969	2.8
593.23743	100.0
594.24304	4.7
595.25189	1.4
599.19684	2.1
605.23285	2.8
611.24786	38.2
612.25342	1.5
617.24023	7.5
635.25159	6.1
641.23523	1.7
659.24969	4.4
667.24896	3.2
677.25909	2.6
685.26324	10.8
703.27405	9.5
704.27502	1.1
721.28436	2.2
739.29053	1.4
757.36395	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	757.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	2.2
55.01561	0.5
55.01830	2.4
55.05502	6.4
57.03422	2.7
59.04988	0.8
61.02920	2.7
65.03897	0.7
67.05494	12.4
69.03418	7.3
69.07056	6.0
71.02591	1.5
71.04979	5.5
71.31642	0.6
73.02869	0.9
79.05481	10.1
79.73807	0.5
81.03400	4.9
81.07046	27.5
82.07340	0.6
83.04931	1.5
83.08627	2.9
85.02895	14.2
85.06495	0.8
87.04443	0.8
91.03905	0.8
91.04966	0.6
91.05462	7.2
93.07034	5.6
93.17258	0.5
95.04972	3.3
95.08596	6.5
97.02883	4.8
97.06506	0.9
97.10149	0.7
99.04386	0.8
103.05464	0.6
105.07014	6.5
107.04914	1.3
107.08579	3.8
109.02784	1.7
109.06472	2.6
109.10164	3.3
117.06973	1.2
119.08553	4.0
121.02810	1.1
121.06477	0.9
121.10132	4.1
123.04415	1.3
123.08014	2.1
123.11638	2.2
127.03876	3.4
129.05405	0.8
129.06982	1.0
131.08510	2.1
133.10068	2.3
135.07974	0.6
135.11600	1.2
137.02318	25.0
137.03369	1.4
139.03830	1.4
145.04907	1.3
145.10065	1.8
147.04353	0.9
147.11642	3.0
149.02315	0.7
149.09544	0.9
149.13234	0.8
153.01801	7.5
159.11577	0.9
159.86440	0.6
163.03853	2.5
163.11127	0.8
165.01819	2.7
167.03329	0.5
175.03748	1.4
175.07465	0.7
177.01762	0.8
179.03308	1.4
183.02873	3.0
183.04256	0.7
185.05966	0.6
189.01666	0.7
189.05453	1.5
191.03334	1.9
195.02940	0.9
199.03772	0.9
201.05434	1.0
203.03340	1.2
213.05405	1.0
217.04875	1.7
229.04900	2.2
233.04375	0.6
239.06885	0.6
241.04906	1.5
241.47322	0.6
243.06291	0.8
245.04282	1.4
255.06537	0.7
257.04285	1.4
259.05975	1.1
269.04416	1.3
271.05945	0.6
273.03830	1.9
274.04706	1.3
275.20038	2.6
285.04022	0.8
285.10303	0.8
286.04630	0.9
287.05530	2.3
288.06113	0.8
293.20963	1.3
297.04138	1.2
297.07727	0.6
299.05380	3.6
301.03366	1.0
302.04169	2.5
303.04935	23.8
304.05194	0.8
311.05490	0.9
313.03531	0.9
313.06970	2.0
315.04929	83.7
316.05600	6.0
317.06302	0.6
319.04279	1.0
323.05396	1.0
325.07028	1.1
326.04190	2.6
327.04907	6.5
328.05667	0.8
329.03024	1.0
329.06497	5.1
330.06863	0.8
331.04364	5.1
337.06915	0.8
339.01105	1.2
339.04956	13.8
339.07947	0.5
340.05597	1.8
341.02844	3.3
341.06522	15.4
342.03479	1.5
343.04413	5.5
343.08102	1.3
351.08624	1.1
352.05624	0.9
353.06552	8.9
355.04333	2.2
355.08054	1.4
357.05914	1.0
365.06357	5.9
365.09946	0.6
366.07092	1.1
367.08017	1.3
369.05911	1.1
377.06403	1.9
378.07162	1.6
379.08063	7.5
381.09781	1.2
383.11230	22.2
385.12802	9.4
391.08112	1.9
393.09595	3.1
394.10434	2.7
395.11218	38.4
396.11478	1.7
405.09396	1.3
407.11273	8.7
408.11829	0.9
409.12845	0.8
411.10645	5.4
419.11539	1.0
463.17398	1.6
467.17065	1.1
479.17053	2.5
491.16891	5.1
503.17099	0.7
505.18338	1.8
507.16333	3.3
508.17285	1.4
509.17874	4.2
521.17993	13.9
523.19507	3.8
549.24695	2.3
559.23206	27.2
560.23132	1.4
575.22345	3.1
577.24231	100.0
578.24615	4.4
589.24237	0.6
593.23773	7.7
595.25269	31.5
596.25177	1.2
611.24701	3.4
617.23267	0.8
685.26135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01860	0.7
55.05504	1.5
57.03435	1.6
61.02675	0.3
61.02925	4.0
67.05499	4.8
69.03410	2.2
69.07062	3.1
69.34373	3.4
71.01344	0.4
71.04950	0.4
73.02922	3.1
77.03928	0.3
79.05491	5.9
79.48530	0.4
79.98305	0.3
81.03422	2.6
81.07048	4.8
81.15392	0.3
81.34795	0.3
83.04972	1.5
83.08604	1.2
85.02908	4.0
91.03944	2.1
91.05470	5.6
93.07041	4.5
95.01337	0.6
95.04969	1.7
95.08606	3.5
97.02888	3.6
97.06538	0.9
101.02379	1.2
105.07018	3.9
107.04974	1.1
107.08606	1.9
109.02861	0.7
109.06521	0.7
109.10173	0.8
111.08073	0.4
117.07023	1.2
119.08571	2.9
119.42963	0.3
121.10119	0.8
123.08073	0.6
127.03949	1.0
128.06137	0.4
129.06985	0.8
131.08563	1.2
133.10130	2.2
135.11655	0.7
143.08588	1.1
145.10120	1.5
147.11676	2.1
149.09650	0.6
159.11746	0.8
161.09650	0.4
161.13254	1.1
164.19258	0.4
171.11722	1.5
179.14381	0.6
185.04179	0.4
187.11311	0.4
197.41866	0.3
203.05261	0.6
234.98885	0.4
243.08353	2.3
247.12991	0.8
275.19962	0.6
285.17969	0.4
303.15729	0.6
315.19284	4.0
371.21982	1.3
465.20880	10.5
533.27216	8.1
573.67584	0.3
595.35364	0.4
757.41211	100.0
758.41449	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01865	4.6
55.05262	1.1
55.05509	19.4
57.03436	14.0
57.07067	2.2
57.16632	0.8
61.02911	3.3
65.03938	2.3
67.05496	61.0
69.03428	5.0
69.06709	1.5
69.07062	23.9
69.72672	5.8
71.04987	6.4
71.08606	0.9
73.02906	1.2
74.18831	0.8
79.05487	44.1
81.03419	13.4
81.07049	100.0
82.07385	1.1
82.10382	0.9
83.04980	8.4
83.08611	19.5
85.02901	4.1
85.06533	4.5
86.09716	1.4
88.02351	0.8
91.03953	0.8
91.05470	29.0
93.07037	51.4
95.04955	12.2
95.08595	31.1
96.08941	0.9
97.02894	4.6
97.06516	13.0
97.10159	3.6
99.04440	1.9
99.08070	4.6
103.03941	1.0
103.05487	1.2
105.06479	0.9
105.07022	24.5
107.04931	6.2
107.08585	33.2
109.02869	1.4
109.06496	13.4
109.10139	9.6
111.08073	7.2
113.09619	1.4
115.05447	1.4
117.07011	12.5
119.08569	18.6
121.06506	4.2
121.10133	19.6
123.08066	4.2
123.11699	6.2
124.99968	0.9
125.09646	2.1
127.03898	2.6
129.06970	4.2
131.08556	15.2
133.06442	0.9
133.10115	16.7
135.08012	4.1
135.11673	11.9
137.09595	2.2
139.11177	1.3
143.08546	2.3
145.10097	9.7
147.08116	1.0
147.11655	11.3
149.09598	6.7
149.13245	21.5
151.11198	2.6
157.10138	2.5
159.11688	15.9
161.09607	1.1
161.13268	3.1
163.11169	5.4
165.12717	2.3
169.10045	0.9
171.11710	1.8
173.13269	3.4
173.38074	0.8
175.11206	2.0
177.12746	5.8
179.14304	1.6
183.11627	1.2
184.07339	3.9
185.13217	1.2
187.14774	1.4
191.14243	1.0
193.12125	2.0
195.13803	10.4
197.13103	1.6
211.13199	1.8
213.14806	1.7
224.66084	0.8
229.19449	2.0
230.95906	0.9
247.20656	1.8
251.16365	2.4
255.15759	2.0
257.18997	2.8
259.20508	1.6
261.22162	1.2
267.15945	3.3
269.17453	78.9
270.18045	1.1
275.20047	29.3
275.23083	1.6
285.17038	2.6
293.18094	1.2
293.20981	5.4
333.24359	1.0
335.25772	3.8
336.26108	3.1
337.27286	7.2
349.23669	21.5
350.24072	1.4
351.25504	2.0
363.25388	2.0
364.25693	1.3
367.24759	10.7
413.21744	1.4
417.29962	1.9
445.29196	1.1
449.28967	12.0
463.30539	41.4
464.30811	1.8
525.35852	2.4
543.36780	74.0
544.36859	2.7
561.37799	48.5
562.38153	1.5
607.34503	2.1
619.37903	0.9
717.81189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01665	0.8
55.01865	7.6
55.05255	1.6
55.05503	21.7
57.03431	15.7
57.07058	3.9
58.00678	1.0
61.02898	4.1
63.37535	1.0
64.80723	0.9
65.03925	3.3
67.05497	77.8
68.05826	1.1
69.03424	5.5
69.07060	31.7
71.04987	9.4
71.08604	1.1
71.63831	0.8
73.02902	2.2
74.20943	0.9
77.03920	1.7
79.05484	50.4
80.17315	0.9
81.03410	16.3
81.07048	94.8
83.04977	12.5
83.08142	1.2
83.08614	20.1
85.02888	6.8
85.06526	6.0
86.09677	2.8
88.13512	1.0
89.37775	1.0
91.03945	1.0
91.05468	42.4
93.07032	74.2
95.04963	16.8
95.08594	35.4
96.08877	1.0
97.02864	4.1
97.06522	18.1
97.10156	7.1
99.04453	2.7
99.08067	3.1
103.05502	1.3
105.04482	1.1
105.07017	30.7
107.04958	6.4
107.08582	43.3
109.02843	1.7
109.06511	5.7
109.10136	11.0
111.04394	1.8
111.08061	9.4
113.05949	1.1
113.09607	2.1
115.05444	1.4
117.07000	16.9
119.08562	22.6
121.06461	3.3
121.10133	25.2
123.08073	2.4
123.11662	3.9
125.00010	1.7
125.09631	5.5
127.03904	2.7
129.05473	1.6
129.06969	5.0
130.07802	0.9
131.08559	24.5
133.06453	1.8
133.10110	22.1
135.08054	5.2
135.10672	1.2
135.11676	15.1
137.09631	1.7
139.11177	1.8
143.08536	3.9
145.10106	13.2
147.11681	11.3
149.09618	10.3
149.13246	27.0
151.11147	2.4
155.08528	2.1
157.10097	5.1
159.08008	1.2
159.11665	19.1
161.09535	1.7
161.13203	4.6
163.11168	6.6
165.12671	1.7
166.94110	0.9
169.10095	2.8
171.11700	3.5
173.04453	1.5
173.13239	3.8
175.11145	2.7
175.14822	1.8
177.12749	7.5
179.14328	1.1
181.10042	1.0
181.12231	1.5
183.11658	1.4
184.07301	8.6
185.13252	1.4
187.14815	1.2
189.11180	2.8
189.12721	0.9
193.12224	4.8
195.13789	13.2
197.13252	1.5
199.15016	1.0
199.16875	3.4
204.29828	0.9
210.64735	0.9
211.13229	6.1
213.14771	2.4
223.13220	1.8
227.12766	10.1
229.14250	1.0
229.19397	2.1
233.15495	1.0
235.17000	1.2
239.18103	2.5
241.19463	3.1
247.20564	1.5
249.28400	1.0
250.79456	0.9
251.16365	1.9
255.15834	5.8
257.19009	7.2
259.20557	5.2
267.15808	3.0
269.17441	100.0
270.17761	1.2
275.20047	25.6
276.20331	1.8
285.16898	8.6
293.21082	4.9
303.04874	2.2
331.22617	3.1
333.24197	6.4
339.17871	1.2
349.23706	24.7
365.23175	1.5
367.24725	4.1
413.21558	2.3
423.27377	2.2
439.27036	5.2
445.29617	1.4
447.30887	1.2
449.28897	25.8
451.31845	2.0
463.30502	86.5
464.30740	3.3
469.32693	1.7
479.30469	1.3
503.33743	1.9
515.37097	2.4
525.35712	5.1
543.36737	62.3
544.37201	2.8
560.32391	1.0
561.37830	20.7
562.38263	1.6
579.25085	1.7
607.34717	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01868	4.9
55.05505	20.2
57.03432	15.1
57.07064	3.1
59.04988	1.2
61.02914	4.9
61.97478	1.0
65.03944	3.5
66.65850	1.5
67.05497	74.4
69.03402	7.0
69.07059	28.1
71.04973	6.7
71.63963	2.3
73.02902	2.0
79.05482	50.0
80.05813	1.7
80.71190	1.3
81.03406	13.7
81.07048	100.0
83.04974	10.2
83.08613	22.2
85.02898	9.2
85.06538	4.9
86.09687	1.9
91.03939	1.6
91.05466	41.5
93.07032	65.8
95.04944	11.4
95.08595	30.3
97.02884	6.7
97.06512	11.4
97.08533	1.3
97.10155	7.2
99.04440	2.4
99.08080	1.7
105.07024	28.1
106.07371	1.7
107.04946	4.1
107.08588	39.3
108.08907	1.5
109.02880	1.8
109.06519	5.7
109.10155	10.0
110.33351	1.3
111.04392	1.7
111.08059	6.9
117.06990	14.8
119.08573	16.0
121.06490	4.5
121.10130	21.1
123.04431	1.5
123.08073	3.2
123.11659	6.8
125.09623	5.3
127.03901	3.1
128.06223	1.4
129.05469	1.8
129.06969	3.6
131.08554	15.6
133.10109	27.9
133.11061	1.9
135.08014	4.4
135.11670	16.3
137.09618	2.4
143.08533	3.4
145.04958	1.7
145.10083	11.8
147.11644	9.7
149.09573	9.7
149.13239	20.1
151.11192	2.4
152.47495	1.3
157.10088	2.9
159.11671	16.5
161.09607	1.3
161.13245	3.3
163.11183	5.7
165.12732	1.9
169.10094	2.3
171.11626	1.6
173.13234	4.4
177.12712	6.0
179.14223	2.5
183.11725	1.5
184.07314	7.2
185.13257	1.5
189.11217	2.6
189.48277	1.2
193.12216	2.9
195.13773	14.4
197.13225	1.7
204.69411	1.4
213.14885	2.3
227.12717	10.0
229.19746	1.6
239.17943	1.9
251.16451	2.6
253.14345	2.8
255.15999	3.3
257.18893	3.1
259.20462	1.8
262.18127	1.8
267.15961	4.5
269.17441	76.3
275.20041	21.7
276.20270	1.6
283.15408	1.5
285.16953	3.3
293.21164	2.7
331.22791	2.3
333.24039	1.4
335.25742	2.2
336.26224	1.3
337.27512	2.6
349.23709	21.3
365.23047	1.7
367.24789	2.7
413.21753	2.8
423.27219	1.9
445.29355	1.6
447.30875	1.4
449.29050	25.4
463.30505	83.7
464.31085	2.6
525.35724	1.6
543.36743	42.2
561.37976	11.1
583.31360	1.8
607.34460	4.2
759.38293	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.01846	5.4
55.05260	1.9
55.05502	27.2
57.03427	19.9
57.07056	3.2
61.02908	4.4
63.47801	1.5
65.03926	4.5
67.05495	63.7
69.03412	6.5
69.07058	23.0
69.64973	12.6
71.04982	7.2
73.02918	2.6
73.05269	1.5
73.90340	1.8
79.05481	68.0
81.03406	59.6
81.06574	3.6
81.07047	70.5
83.04971	13.7
83.08609	27.8
85.02510	1.7
85.02896	22.5
85.06523	5.7
86.09697	3.1
90.99088	1.5
91.05466	88.7
92.72725	1.6
93.07031	66.2
95.04958	28.9
95.08589	40.0
96.36772	1.6
97.02861	5.7
97.06504	6.5
97.10136	7.5
98.20859	3.4
98.21458	3.1
99.08047	3.2
100.20892	1.7
103.05450	1.9
105.04505	1.4
105.07014	87.6
107.04935	7.0
107.08584	36.5
109.06511	8.8
109.10134	14.9
111.04395	3.9
111.08076	9.8
113.05984	2.3
115.05421	4.7
117.06986	20.8
119.08566	71.0
121.06467	2.9
121.10123	30.9
122.14356	1.6
123.08056	6.5
123.11678	4.4
124.99953	1.8
125.09583	5.0
127.30631	1.5
128.06190	2.7
129.06992	22.5
131.08549	37.9
133.06467	3.0
133.10117	52.6
135.08051	3.4
135.11671	18.1
137.02351	3.5
137.09590	2.8
141.07005	2.0
142.07771	4.2
143.08539	16.7
145.10094	24.7
147.08014	4.0
147.11667	55.1
149.09601	11.6
149.13206	12.3
151.11113	2.6
155.08557	2.9
157.10103	22.7
159.11655	21.6
159.87936	1.5
161.13243	26.1
163.11165	5.7
163.14821	3.3
165.12683	2.9
169.10107	4.4
171.11674	11.4
173.13232	13.8
175.11183	12.1
175.14780	12.8
177.12683	2.5
181.10045	1.9
183.11658	4.3
184.07306	13.7
185.13222	12.5
187.14813	3.9
189.12643	2.0
193.12195	35.6
195.11655	3.4
197.13153	2.5
199.14828	6.2
203.14186	3.2
211.13248	46.0
211.15199	3.1
213.16380	2.4
217.15843	2.2
227.12651	3.7
229.05099	1.9
229.14268	2.4
231.21008	7.6
241.19469	27.1
257.18915	3.5
259.20526	84.2
261.22052	3.6
267.15894	19.0
269.17447	4.0
275.20062	2.8
277.21530	4.5
283.15344	4.0
285.16910	49.4
303.04990	15.3
304.05246	13.0
315.23126	10.6
333.24188	73.0
335.25641	3.2
415.29868	3.3
433.30789	6.4
451.31934	7.3
463.30414	2.0
469.32767	3.5
515.37054	4.9
525.35638	35.4
526.36511	1.8
543.36768	100.0
544.36981	3.0
561.37225	4.4
578.24426	3.6
596.25189	2.8
651.38483	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	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01863	4.6
55.05252	2.6
55.05503	33.0
57.03184	1.4
57.03435	21.4
57.07059	4.6
59.04989	2.2
61.02907	4.9
62.37574	1.5
65.03926	4.5
67.05498	67.4
69.03418	8.5
69.06715	1.9
69.07063	23.6
70.37792	5.6
70.38129	1.2
71.04687	1.2
71.04991	14.3
73.02898	2.5
79.05486	69.1
80.05836	1.4
81.03410	73.2
81.07047	72.3
83.04971	17.7
83.08607	34.6
85.02409	2.1
85.02897	32.6
85.06529	5.8
86.09688	4.6
91.03957	2.4
91.05471	91.8
93.07036	74.1
94.07389	1.7
95.04349	2.0
95.04955	37.8
95.08036	2.5
95.08597	37.9
96.05269	1.4
96.08925	2.0
97.02874	5.9
97.06522	9.5
97.10166	9.4
98.20796	1.4
99.04416	2.0
99.08076	4.9
103.05453	2.8
105.07022	83.4
107.04942	10.8
107.08585	39.3
109.02850	2.4
109.06528	9.2
109.10141	17.4
111.04453	2.8
111.08062	14.7
113.05962	2.5
113.09639	1.9
115.05412	4.0
117.07001	19.4
119.04930	2.1
119.08569	65.0
120.08935	1.4
121.06490	3.2
121.10127	29.6
123.08053	5.3
123.11703	6.6
124.99966	2.4
125.09629	7.4
127.03903	1.8
127.07526	1.6
128.06207	3.3
129.05511	2.9
129.06995	23.3
131.07559	2.4
131.08557	41.0
133.06474	3.1
133.10120	56.8
135.08026	2.2
135.11670	19.0
137.09607	3.6
141.06982	2.2
142.07771	4.1
143.08530	10.9
145.10109	29.4
147.08035	4.9
147.11678	56.3
149.09596	12.4
149.13246	15.7
151.07446	1.3
151.11156	1.7
153.01804	4.9
155.08539	4.2
157.10120	29.7
159.11679	21.1
161.09596	2.1
161.13239	25.2
163.11143	6.8
163.14757	2.7
165.12764	4.5
169.10168	3.8
169.86473	1.3
171.11649	15.1
173.11841	2.4
173.13168	9.4
175.11174	19.9
175.14793	11.5
177.12689	3.5
181.10089	2.2
183.11661	4.0
184.07312	15.3
185.13237	12.6
187.14798	3.9
189.11128	2.2
189.12747	2.1
189.16464	1.6
191.10696	1.9
193.12219	44.7
197.13254	2.5
199.14755	5.2
201.16451	1.5
203.14304	2.0
209.13266	2.3
211.13263	67.4
213.16357	2.5
215.18004	1.7
217.16017	1.7
223.14839	1.4
227.12773	6.5
229.14331	1.6
230.84369	1.5
231.21106	5.5
241.19476	27.2
243.20938	1.7
243.33405	1.4
257.19016	2.4
259.20551	69.2
260.21045	1.6
263.17914	1.7
267.15845	27.3
269.17435	8.3
271.20502	1.6
275.19949	6.1
276.20355	2.1
277.21506	2.4
283.15393	5.1
285.16937	72.7
293.20941	1.5
297.22208	3.3
299.23557	1.9
303.04858	3.1
311.20380	1.7
315.22894	7.4
319.04492	18.8
320.04785	13.8
331.04449	3.7
331.22617	3.0
332.04764	2.3
333.24210	64.9
335.25681	3.8
349.23779	4.3
351.25204	2.2
356.05255	1.5
361.05258	1.5
362.05960	2.1
415.30170	1.5
421.25900	1.7
433.30865	9.8
439.26920	2.3
451.31897	8.1
469.33194	6.2
507.34595	2.2
514.82233	1.5
515.37122	4.2
525.35699	37.2
526.36005	1.9
543.36743	100.0
544.37207	3.0
561.38055	7.1
594.24072	7.2
596.41132	2.8
720.00171	1.6
758.45837	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	758.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
53.31524	0.4
54.23143	0.5
55.01860	1.3
55.05504	14.3
57.03426	5.6
57.07063	3.4
59.04977	1.1
61.02917	3.9
64.85883	0.5
65.03917	2.6
67.05494	66.6
67.29868	0.5
68.05838	0.6
69.03413	2.0
69.06484	0.5
69.07058	13.8
70.70519	1.7
71.04980	24.3
71.08614	0.7
73.02907	0.9
73.06538	0.9
76.72952	0.4
77.03932	0.6
79.05480	32.1
81.03397	1.4
81.07043	100.0
82.07373	1.5
83.04971	4.2
83.08605	9.3
85.02886	3.3
85.06525	9.3
85.07005	0.8
85.42317	0.5
86.09696	0.7
90.41277	0.4
91.03930	1.5
91.04878	0.9
91.05465	29.7
93.07027	40.3
95.04958	3.6
95.08589	30.6
95.83733	0.5
97.02870	1.7
97.06513	6.1
97.10163	2.8
99.04505	0.6
99.08068	1.7
105.07011	15.6
107.08578	24.0
108.08956	0.6
109.06470	2.4
109.10135	16.3
111.08041	3.3
113.09688	0.6
117.07008	5.9
119.08567	9.6
121.10122	19.7
123.08054	1.4
123.11684	16.3
125.09596	1.4
127.03880	0.5
129.06981	0.8
131.08548	9.4
131.09485	0.7
133.10117	22.8
135.08043	0.7
135.11671	12.3
137.09547	0.5
137.13216	0.9
139.11128	0.8
143.08505	0.8
145.10101	5.4
147.11690	4.6
149.09662	0.7
149.13232	8.3
150.13586	0.5
151.11148	8.2
153.12708	1.3
157.10158	1.0
159.11670	8.1
161.13213	3.0
163.14824	1.2
167.14299	0.6
169.10167	0.7
169.12254	0.8
171.11745	1.1
173.13170	3.0
175.14818	1.8
177.12755	2.9
179.14349	0.8
183.11801	0.5
183.13805	3.9
184.07353	1.9
185.13185	1.2
187.13289	5.3
187.14882	1.4
195.13783	1.8
197.13251	0.9
201.14766	1.1
201.16426	0.8
213.16595	0.5
227.16382	3.3
241.17787	0.6
243.15784	0.6
243.21030	0.8
253.18025	0.7
257.17438	2.7
259.20767	0.9
261.22137	3.2
269.17407	6.4
301.20035	21.4
302.20395	0.8
317.24484	1.2
335.25748	23.5
336.26099	1.3
363.25342	0.6
393.31598	0.8
394.15442	0.5
411.32620	1.6
419.32736	0.6
437.34509	1.0
456.07755	0.6
485.36261	4.3
503.37238	92.7
504.37625	8.4
506.41281	0.6
511.37717	1.2
517.38739	4.4
529.38776	19.7
530.38983	1.7
547.39746	0.7
561.41418	88.1
562.41730	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	759.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96280	0.5
56.96557	7.7
68.96560	0.5
74.97614	0.6
84.96025	5.8
98.97569	49.5
102.97064	0.9
105.31344	0.4
110.97550	14.3
110.98315	0.8
112.99107	0.8
116.98611	33.0
119.65268	0.4
120.23676	0.4
124.26508	0.4
124.99056	0.8
125.00888	0.3
127.00584	0.5
128.98590	30.5
130.82678	0.4
131.00153	1.7
134.99646	10.1
136.64703	0.3
140.00186	1.2
140.98581	4.2
143.00151	8.8
144.98129	0.5
145.01643	0.4
146.99637	21.5
149.01152	0.8
152.98572	2.6
153.00714	0.8
155.00156	0.7
158.01251	0.8
158.99638	22.9
161.01198	11.5
161.02534	0.5
165.00690	2.5
170.01231	0.7
170.99634	32.6
173.01213	1.7
174.17041	0.4
174.99123	1.5
177.00694	24.7
179.02240	1.6
182.99614	13.8
185.01181	0.7
189.00697	43.6
190.01073	0.5
191.02257	0.5
193.00237	0.4
194.99765	1.0
195.01752	2.6
200.02388	0.9
201.00684	57.1
202.01041	0.5
203.02234	0.9
207.01740	4.8
212.02315	2.2
213.00694	4.7
219.01746	52.9
221.02074	0.3
221.63480	0.4
224.02269	1.2
231.01736	7.1
237.02797	27.7
242.03304	1.2
243.01736	21.6
244.72711	0.4
249.02809	1.1
254.99458	1.9
255.03833	2.4
260.04291	0.5
261.02789	75.9
262.03217	1.4
273.00311	1.7
273.02826	5.1
279.03854	45.4
284.04269	0.5
291.03870	12.1
297.04840	1.2
302.05518	3.0
303.03815	1.1
309.04892	1.4
321.04889	30.5
333.04883	4.2
345.05325	0.5
351.05945	9.7
363.05881	1.4
381.06970	13.5
399.02719	0.5
399.08060	13.3
417.04663	99.5
418.04916	1.9
422.03140	0.4
422.09775	1.0
423.08328	0.7
435.05759	17.5
441.09125	100.0
442.09363	1.9
453.09161	2.2
458.07321	3.1
471.10162	4.2
495.09781	0.5
501.11191	11.8
525.11066	1.3
543.12152	4.5
561.13263	1.4
603.14374	0.5
624.06433	0.4
723.18646	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	759.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.17374	0.2
55.01871	0.5
55.05510	1.8
57.03429	2.2
57.07072	0.3
58.47203	0.2
61.02631	0.4
61.02918	4.5
67.05166	0.4
67.05494	5.9
69.03416	2.8
69.07066	1.6
71.01353	0.3
71.04973	0.7
72.01926	0.2
73.02910	3.2
73.58479	0.2
74.80955	0.3
79.05479	6.9
81.03410	2.4
81.07050	5.5
82.07376	0.4
83.04976	1.2
83.08620	1.1
85.02892	5.2
86.09716	0.7
87.04481	0.3
91.03953	2.4
91.05466	5.5
91.06001	0.4
91.54333	0.3
93.07030	7.6
95.04942	1.9
95.08594	3.8
96.38831	0.3
97.02883	3.8
97.06500	0.4
97.10176	0.6
98.21688	0.3
99.04433	0.9
101.02372	1.6
105.07023	4.6
106.07381	0.3
107.04944	0.7
107.08588	3.3
108.08923	0.4
108.27341	0.3
109.02890	0.8
109.06516	0.8
109.10143	0.9
111.04451	0.2
111.08047	0.4
117.07018	1.4
119.08555	3.5
121.10127	2.1
123.11673	0.5
125.00026	0.5
125.09671	0.5
127.03881	1.5
129.05435	0.4
129.07002	1.2
131.08540	1.6
133.10085	2.6
135.11658	1.9
143.08549	0.8
145.04913	0.3
145.10127	1.7
147.07979	0.4
147.11662	2.6
149.13269	0.4
157.10101	0.4
159.11739	0.7
161.09673	0.3
161.13228	1.3
163.11107	0.4
170.74768	0.3
171.11687	1.4
173.13225	0.4
175.10992	0.3
184.07271	2.1
185.04216	1.0
189.12714	0.4
207.13782	0.6
230.25934	0.4
241.06944	0.5
243.08360	3.4
247.13092	1.7
259.20624	0.5
267.15918	0.5
269.17331	0.3
281.17798	0.4
297.22528	0.3
301.08823	1.3
303.15689	0.6
315.10434	0.5
317.20969	0.4
335.25931	0.9
336.26120	0.8
345.16837	0.4
357.15210	0.4
373.11105	0.5
373.23563	0.4
373.65854	0.3
397.18622	0.4
429.17273	0.4
465.20920	11.0
466.21371	0.8
495.21954	0.7
517.27612	0.5
526.14917	0.3
535.28693	6.1
537.22729	1.4
544.36755	0.4
545.38837	0.4
562.38324	0.5
565.26514	0.3
621.31366	0.4
643.73944	0.3
759.42755	100.0
760.43030	7.4
760.56720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.30006	0.3
55.05471	0.4
57.03439	2.1
67.01839	1.5
68.99773	1.7
69.03427	1.6
71.01937	0.6
71.02321	0.6
71.04989	12.7
79.47526	0.3
79.51541	0.3
84.79292	0.4
85.02901	11.7
87.04441	0.4
92.33968	0.3
94.24872	0.3
97.02876	0.8
111.00793	0.7
111.04414	0.8
123.04396	0.8
127.03897	1.0
129.05470	1.9
135.00691	0.4
135.04382	0.7
137.84424	0.3
139.03859	0.5
147.04398	0.7
153.01813	88.6
154.02176	1.0
163.03915	1.0
171.02849	1.2
177.01805	0.7
179.03363	0.4
181.01302	7.1
183.02882	0.7
185.06061	0.4
191.03392	2.2
195.02887	2.2
195.04424	0.6
197.05939	1.0
199.04053	0.4
203.03430	0.9
205.01344	0.5
207.72287	0.5
213.05423	2.1
215.07080	0.4
219.02888	0.8
223.03871	2.6
225.05409	0.7
227.03441	0.6
229.04855	0.6
231.02788	2.1
241.04907	3.1
245.04539	1.1
247.02357	1.5
251.03452	3.8
253.04910	7.8
255.02811	1.2
256.03506	0.6
257.04395	0.9
258.05145	0.5
259.02402	0.8
265.05011	0.5
267.06537	0.4
269.04443	7.7
269.06985	0.3
270.04861	0.4
271.05991	2.9
273.03891	0.4
279.02835	0.7
279.06461	0.4
281.04388	4.5
283.02347	3.2
285.03833	3.0
285.06674	0.5
287.01749	0.5
293.04346	1.0
295.05667	0.4
297.03903	24.0
298.04416	1.5
299.02316	0.6
299.05475	9.1
303.06476	0.4
305.02808	5.2
307.05978	0.7
309.04047	0.7
311.01825	0.5
313.03302	2.1
314.04300	0.5
319.05994	1.0
321.03903	1.3
325.03406	61.5
326.03693	2.2
331.06030	0.7
335.05414	2.4
345.03839	0.8
347.05502	0.5
349.03326	2.1
351.04782	0.5
353.02786	1.6
358.60681	0.4
359.05515	1.4
361.06586	0.6
363.04916	2.4
373.03369	0.8
377.02780	1.3
387.05075	2.0
389.06491	0.5
391.04376	1.1
393.05774	0.4
395.03772	0.6
405.06357	0.6
409.05429	4.2
413.40918	0.4
415.04315	0.7
417.06268	0.5
419.03940	6.3
433.05664	2.4
435.07254	0.7
437.05005	28.0
438.05289	1.1
443.04105	0.5
451.06570	8.0
461.05020	4.1
479.06058	100.0
480.06445	4.0
485.04913	0.6
491.06085	0.6
497.07086	0.5
503.05716	0.5
521.06897	1.1
545.06622	0.5
589.09644	0.7
597.08789	6.4
615.10095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03426	2.8
67.01851	1.2
68.99777	1.8
69.03426	2.0
69.59998	2.0
69.60413	0.5
71.04986	14.4
71.76089	0.3
81.03410	0.4
83.04963	0.7
85.02895	16.0
97.02885	0.6
98.16498	0.4
98.20847	0.8
98.21454	0.8
107.01343	0.4
107.04913	0.6
109.02870	0.8
111.00799	0.6
111.04422	0.7
121.02854	0.4
125.02290	0.9
127.03904	0.9
128.86105	0.3
129.05476	3.2
135.00746	0.5
135.04425	1.0
139.03880	0.7
147.04352	0.6
147.06528	0.5
148.68228	0.4
153.01813	92.9
154.02171	1.2
163.03928	0.8
165.01781	1.9
167.03329	0.9
171.02843	1.4
171.04298	0.5
175.03918	0.5
177.01813	3.2
179.03409	0.7
179.04874	0.4
181.01321	7.7
183.02876	1.5
185.05986	0.6
191.03389	2.7
193.05023	0.4
195.02876	9.2
195.04440	0.9
197.05952	1.2
199.03842	0.4
201.05533	0.5
203.03345	1.9
205.01344	0.7
213.05420	2.6
215.07021	0.6
217.04939	0.4
219.02811	2.2
223.02153	0.4
223.04018	2.9
225.05516	1.3
227.03400	0.7
229.04962	0.7
230.44444	0.4
231.02928	1.7
235.03911	0.6
241.04927	3.1
245.04446	2.5
247.02336	1.3
251.03365	3.6
252.04031	0.6
253.04938	9.2
255.02859	1.5
257.04407	0.7
259.02307	1.0
263.05548	1.4
265.05014	0.5
269.04462	7.6
271.05954	3.6
279.02914	0.7
279.06247	0.5
281.04404	5.7
281.07251	0.5
283.02444	3.0
285.03882	3.5
293.04373	0.8
297.03909	27.2
298.04578	1.8
299.05466	11.2
303.06631	0.8
305.02811	6.1
307.06049	1.0
309.03876	0.6
311.01886	0.6
311.05542	0.7
313.03448	2.7
314.04111	0.6
319.06186	0.5
321.03854	1.8
323.05374	0.6
325.03394	68.5
326.03854	1.6
327.05109	0.8
331.06149	0.8
335.01874	0.7
335.05310	2.2
337.03604	0.5
345.03873	0.5
345.07889	0.5
347.05273	0.9
349.03439	1.5
351.05008	0.8
353.02832	2.0
359.05457	0.9
363.04926	2.3
367.04919	0.5
371.05612	0.5
373.03427	0.6
375.04935	0.5
377.02872	1.6
377.06961	0.5
387.04947	1.8
389.06381	0.8
391.04355	1.8
395.04007	0.5
405.06006	0.8
409.05453	4.3
415.04544	1.5
417.06161	0.7
419.03943	7.0
421.05600	0.5
433.05402	2.9
435.07135	0.5
437.05017	28.1
438.05347	0.8
443.03992	1.1
451.06546	7.9
461.05038	5.4
475.06485	0.6
479.06055	100.0
480.06387	3.0
485.05099	1.1
491.06036	2.5
493.07724	0.7
503.05951	2.5
521.07111	6.8
545.07019	2.7
547.08313	0.5
571.08429	1.1
589.09888	2.4
597.08710	12.2
598.08990	0.4
607.10864	1.8
615.09576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05503	1.1
56.96552	0.4
57.03428	2.1
59.04994	1.5
61.02926	4.6
67.05504	3.2
69.03426	3.2
69.07065	0.9
71.01317	0.5
71.04985	2.3
71.61938	0.6
73.02917	3.1
76.29740	0.4
79.05491	3.6
81.03403	5.5
81.07055	3.4
81.74957	0.4
83.04984	1.0
83.08609	1.3
85.02903	5.7
85.06551	1.1
86.23983	0.4
87.04460	1.2
89.03911	0.4
91.03966	2.5
91.05459	3.6
93.07045	2.7
95.04964	2.3
95.08596	1.9
97.02892	3.4
97.06537	1.1
98.21025	0.6
99.04449	1.0
101.02391	1.6
105.07028	2.9
107.04956	0.9
107.08599	1.9
107.30891	0.5
109.02906	0.8
109.06521	0.8
109.10164	0.5
111.04424	0.5
111.08069	0.8
119.08573	2.1
121.10126	3.1
123.04417	0.9
123.08083	0.8
123.11752	0.5
125.05939	0.4
127.03916	1.8
129.07033	1.4
131.08536	2.3
133.10144	2.2
137.05986	0.6
138.16690	0.4
139.03908	1.7
142.07857	0.6
145.10112	0.6
147.04369	0.4
147.11661	2.9
149.09604	3.3
151.03854	0.5
153.01907	0.4
157.10127	1.7
165.12871	0.4
167.07051	0.7
175.11185	1.9
183.06639	0.4
184.96556	0.5
193.12230	2.6
197.15314	0.5
211.13194	0.6
225.14911	1.0
233.11484	0.6
243.08392	2.8
253.14145	0.6
267.15955	2.2
283.06479	0.5
283.15109	7.6
316.61581	0.4
339.17816	1.9
350.97394	0.4
469.20267	1.0
501.23041	33.5
502.23373	0.6
540.32526	0.4
599.34106	0.6
726.42841	0.5
761.39197	100.0
762.39453	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01867	0.4
55.05501	0.8
57.03429	1.5
57.07055	0.4
61.02921	3.1
67.05492	4.1
67.67809	0.3
69.03432	2.5
69.07052	2.0
71.04975	0.5
73.02908	2.4
79.05488	2.8
81.03412	1.7
81.07051	5.0
83.04958	0.5
83.08599	0.9
85.02898	3.5
85.06535	0.4
91.03951	2.1
91.05480	2.8
93.07030	4.2
95.04956	1.1
95.08614	1.9
97.02885	2.8
97.06509	0.8
99.04436	0.9
101.02388	1.3
103.03938	0.4
105.07026	2.4
107.08594	2.7
109.02872	0.8
109.06519	0.5
109.10152	0.7
110.10365	0.3
111.08068	0.7
115.03918	0.4
117.07018	0.7
119.08585	0.8
121.10143	1.5
123.08083	0.5
127.03899	0.9
129.05521	0.4
131.08592	0.9
133.10159	0.8
135.11722	0.7
145.10133	0.6
147.11707	0.6
149.13295	1.4
159.11711	1.0
184.07393	1.0
185.04306	0.6
195.13857	0.3
195.63351	0.3
229.89226	0.4
235.13116	1.1
243.08388	2.1
333.20505	1.2
389.23050	0.6
390.14114	0.4
400.71240	0.4
439.19559	0.6
442.82654	0.3
453.20886	7.7
469.20609	0.9
535.28741	0.3
551.28387	4.9
605.53546	0.3
638.00623	0.5
651.96466	0.3
763.42279	100.0
764.42603	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	763.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.22088	0.5
57.03440	1.7
61.02927	3.4
67.05495	2.5
69.03417	2.2
69.07054	1.3
73.02898	2.6
74.66330	0.6
79.05495	3.4
79.12798	0.5
81.03411	2.0
81.07069	2.7
83.08607	1.0
85.02892	4.1
86.09698	1.6
90.13284	0.5
91.03945	2.3
91.05471	2.8
93.07034	3.0
93.70817	0.5
95.04965	0.7
95.08620	1.9
97.02901	2.9
98.21249	4.2
101.02373	0.9
105.07037	2.6
107.08601	1.8
109.10150	0.9
110.68369	0.5
119.08591	2.0
121.10153	1.2
122.44611	0.5
127.03904	1.3
129.06920	0.7
131.08574	1.5
133.10120	1.6
135.11685	1.0
145.10100	0.7
147.11676	1.1
157.10184	0.6
164.48750	0.5
184.07344	3.5
185.04131	0.8
193.12154	0.6
199.70586	0.5
230.06207	1.1
243.08302	2.6
251.12537	1.0
298.38089	0.5
301.09116	0.8
385.18344	0.9
469.20334	4.7
535.28894	6.1
541.22681	1.1
763.42267	100.0
764.42853	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	763.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
56.22088	0.5
57.03440	1.7
61.02927	3.4
67.05495	2.5
69.03417	2.2
69.07054	1.3
73.02898	2.6
74.66330	0.6
79.05495	3.4
79.12798	0.5
81.03411	2.0
81.07069	2.7
83.08607	1.0
85.02892	4.1
86.09698	1.6
90.13284	0.5
91.03945	2.3
91.05471	2.8
93.07034	3.0
93.70817	0.5
95.04965	0.7
95.08620	1.9
97.02901	2.9
98.21249	4.2
101.02373	0.9
105.07037	2.6
107.08601	1.8
109.10150	0.9
110.68369	0.5
119.08591	2.0
121.10153	1.2
122.44611	0.5
127.03904	1.3
129.06920	0.7
131.08574	1.5
133.10120	1.6
135.11685	1.0
145.10100	0.7
147.11676	1.1
157.10184	0.6
164.48750	0.5
184.07344	3.5
185.04131	0.8
193.12154	0.6
199.70586	0.5
230.06207	1.1
243.08302	2.6
251.12537	1.0
298.38089	0.5
301.09116	0.8
385.18344	0.9
469.20334	4.7
535.28894	6.1
541.22681	1.1
763.42267	100.0
764.42853	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	763.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
54.72956	0.8
55.01868	1.7
55.05507	9.5
57.03429	2.0
57.07071	3.9
59.04987	2.4
65.03925	1.4
67.05494	11.8
69.03414	2.9
69.06702	1.3
69.07059	17.5
69.48939	7.4
71.01338	2.7
73.02924	5.2
77.03929	1.0
79.05482	12.8
81.03400	1.0
81.07051	23.0
83.04972	8.6
83.08602	4.6
85.02895	10.1
85.06499	1.1
91.05467	23.8
93.07034	27.6
94.07430	0.9
95.01318	3.5
95.04959	6.1
95.08595	30.0
97.06531	4.2
97.10152	2.5
98.21561	1.0
101.02354	1.5
103.05452	1.4
105.04471	1.0
105.07016	35.0
107.04965	2.8
107.08579	46.1
109.06480	4.9
109.10137	21.1
111.08086	1.3
113.02374	4.1
115.05464	2.9
116.06279	1.1
117.00019	0.9
117.07021	8.6
119.08564	41.5
121.06476	6.7
121.10128	30.4
123.08070	4.8
123.11688	11.4
125.09634	0.8
128.06195	4.1
129.06976	7.3
130.07785	1.5
131.03368	3.6
131.08554	32.9
133.06502	4.7
133.07300	0.8
133.10115	36.8
135.08038	6.8
135.11668	20.6
137.05940	1.1
137.09610	2.3
137.13229	3.6
139.11104	0.9
141.01830	5.5
141.06975	3.5
142.07735	3.8
143.08533	13.5
144.05750	1.0
144.09290	2.4
145.06490	6.5
145.10104	44.7
146.07260	3.4
147.08038	21.0
147.11670	17.6
149.05940	2.0
149.09613	14.2
149.13263	7.3
151.07529	3.1
151.11165	1.7
153.06985	1.8
154.07710	1.1
155.08542	10.4
156.09325	5.3
157.06491	2.1
157.10112	16.0
158.07214	2.6
158.10907	2.2
159.02832	1.5
159.08037	22.4
159.11664	21.0
160.08873	1.1
160.12357	1.0
161.05980	1.4
161.09599	35.6
161.13216	11.5
163.07535	5.7
163.11168	3.0
163.14836	4.5
165.06976	1.4
165.09087	10.1
167.08551	3.6
168.09340	1.6
169.08653	1.6
169.10095	10.5
170.10867	5.3
171.08000	4.2
171.11671	12.8
172.08815	2.8
172.12367	1.1
173.09602	17.8
173.13237	12.5
174.10371	1.0
175.07521	6.2
175.11150	5.3
175.14801	8.1
177.09111	6.9
177.12720	1.8
177.16325	2.5
179.08534	1.1
179.10657	0.9
180.09312	1.4
181.10130	3.6
182.10895	6.8
183.08063	3.2
183.11638	7.2
184.08797	1.7
185.09564	5.2
185.13219	12.3
186.10358	2.4
187.07570	6.1
187.11182	8.4
187.14792	18.5
189.09058	2.8
189.12718	5.6
189.16364	17.9
191.10658	1.3
191.14366	1.8
191.17921	24.4
192.09344	1.1
193.10071	1.2
194.11055	1.0
195.07988	1.5
195.11655	5.2
196.12642	1.2
197.09613	1.7
197.13242	16.6
198.10382	3.6
198.13629	0.9
199.11147	6.0
199.14777	5.4
200.11948	1.8
201.09117	3.6
201.12738	9.5
201.16322	6.5
203.10603	1.4
203.14282	9.8
203.17938	13.6
205.10326	1.0
205.12271	2.0
205.15802	1.7
205.19499	2.4
207.11682	4.6
207.17374	1.7
209.13251	5.4
210.10384	3.2
211.11168	2.7
211.14790	3.3
213.12712	11.0
213.16206	4.0
215.10880	1.2
215.14287	26.7
215.17633	4.9
216.14635	1.0
217.10316	1.1
217.12236	4.6
217.15846	2.3
217.19479	3.3
219.10042	1.4
219.11899	1.0
219.13713	2.8
220.12395	1.0
221.13252	3.5
222.14072	1.5
223.11179	1.4
223.14825	2.6
225.12709	11.5
225.16385	3.7
227.10623	0.9
227.14381	2.2
227.17830	4.9
229.12233	3.2
229.15884	1.6
229.19508	8.2
231.11732	1.2
231.13759	21.4
233.13272	1.8
233.15268	10.3
235.14883	1.8
237.16354	3.3
239.14302	1.7
239.17917	2.4
241.15881	2.0
241.19508	3.1
243.13779	34.2
243.17479	1.7
245.15352	2.7
247.13014	1.4
247.15134	1.5
249.14417	4.9
251.17976	4.8
253.15840	1.6
253.19505	2.5
255.17393	2.2
255.21092	3.9
257.22589	6.5
261.14777	35.2
263.18115	1.0
265.19461	1.9
267.17401	2.7
269.18997	2.3
271.17050	1.4
275.18124	1.3
279.15851	100.0
280.16458	1.2
281.19012	1.9
285.18579	1.4
293.19128	1.1
293.22946	0.9
295.16660	1.2
297.18494	3.7
311.20129	1.9
317.22803	1.1
321.22113	1.1
331.24100	1.7
335.23636	1.7
337.21484	2.3
349.24982	1.2
355.22879	1.1
375.26477	1.2
375.30667	1.1
377.32050	1.4
385.28735	1.1
387.30374	12.0
388.30927	1.4
403.30038	6.5
405.31482	14.1
415.29688	5.2
421.30890	7.3
423.32690	3.9
433.30975	18.5
434.31485	1.0
439.32373	2.5
451.32040	27.5
452.32382	1.6
469.33081	21.1
470.33600	0.9
487.34113	9.0
581.34747	9.4
597.33960	1.6
599.35522	7.2
609.34277	1.2
615.35181	9.2
627.35217	8.0
633.36017	1.2
645.36224	14.0
663.36639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01866	1.8
55.05514	10.1
57.03419	3.2
57.07069	4.6
59.04993	2.9
65.03938	1.4
66.63646	1.3
67.05504	14.8
69.03416	4.8
69.07064	19.3
69.16031	1.3
69.52801	12.0
71.01347	3.1
71.04983	1.5
73.02906	7.2
79.05487	16.1
81.03417	2.6
81.07040	25.8
83.04978	9.1
83.08607	4.7
85.02897	16.4
91.05472	30.9
93.07041	29.3
95.01324	5.1
95.04958	8.4
95.08598	31.0
97.02876	1.6
97.06523	3.5
97.10159	3.9
98.21248	6.2
100.04080	1.5
103.03926	2.0
103.05449	3.1
105.07020	46.5
107.04963	2.7
107.08588	47.7
109.06498	5.1
109.10149	23.1
113.02362	6.0
115.05489	1.6
116.06236	2.3
117.07006	12.4
119.08572	48.6
121.06515	8.1
121.10134	34.3
123.08051	4.5
123.11718	11.5
128.06210	6.0
129.06978	7.4
130.07762	2.3
131.03386	4.5
131.08565	34.1
133.06474	5.9
133.10114	45.0
135.08052	8.1
135.11676	27.6
137.06024	1.5
137.09662	2.9
137.13264	5.9
139.03839	2.2
141.01779	7.4
141.06926	2.0
142.07750	3.1
143.08530	14.2
144.05652	1.7
144.09293	2.4
145.06456	7.2
145.10112	46.2
146.07254	5.1
147.08034	24.4
147.11665	19.5
149.05978	2.0
149.09619	15.1
149.13242	7.2
151.07550	3.0
153.06999	3.2
154.07776	2.2
155.08536	10.1
156.09381	6.0
157.10117	18.3
158.07283	3.2
159.02823	1.9
159.08049	26.7
159.11685	27.3
160.08806	2.0
161.05972	2.6
161.09613	37.8
161.13220	13.6
163.07463	7.2
163.11183	2.3
163.14819	5.6
165.07014	3.1
165.09103	10.9
167.08566	5.2
168.09320	2.6
169.10100	11.5
170.10931	6.3
171.08031	4.7
171.11682	15.7
172.08792	4.0
173.09615	20.4
173.13223	16.5
175.07564	8.2
175.11165	4.6
175.14783	9.2
177.09070	8.5
177.12733	3.4
177.16408	2.3
179.08615	2.5
179.10741	2.1
181.10103	3.9
182.07468	1.7
182.10898	9.0
183.08101	4.6
183.11670	10.0
185.09596	7.3
185.13261	13.9
186.10321	3.0
187.07565	6.9
187.11154	5.7
187.14818	22.0
189.09070	5.2
189.12730	6.3
189.16339	25.7
191.10745	3.0
191.14293	2.9
191.17949	31.2
193.10159	3.3
193.12172	1.9
195.08049	2.8
195.11655	6.3
196.12367	2.2
197.09514	2.3
197.13232	17.8
198.10390	2.6
199.11217	5.8
199.14804	8.2
200.12065	1.9
201.09160	4.4
201.12744	8.8
201.16333	7.6
203.14343	9.4
203.17917	13.9
205.12189	3.0
205.15866	3.6
205.19466	1.9
207.11693	4.3
209.13248	5.1
210.10353	1.7
211.14723	4.1
213.12704	13.1
213.16380	4.6
215.10893	1.9
215.14313	30.7
215.17995	5.4
217.12280	5.5
217.19571	4.3
219.13837	4.3
221.13348	3.3
223.14807	5.2
225.12761	11.4
225.16338	6.5
227.14365	3.8
227.17899	3.5
229.12132	2.6
229.15906	2.5
229.19484	9.0
231.13760	24.5
233.15283	13.0
234.14075	1.8
235.14946	1.6
237.12650	2.0
237.16522	3.7
239.17815	2.3
241.19482	2.9
241.23885	1.4
243.11322	2.2
243.13780	38.9
245.15399	3.8
247.14897	2.0
249.14853	6.1
251.14401	1.7
251.17905	6.2
253.16010	3.2
253.19371	2.5
255.17528	2.0
255.21111	3.1
257.22610	6.7
261.14792	39.9
265.14072	2.0
269.19080	2.6
275.17828	1.9
279.15854	100.0
280.16290	3.6
283.20465	2.7
291.21240	2.0
293.19257	2.0
297.18536	3.1
349.25290	2.5
353.25195	1.8
375.26538	2.0
381.06131	2.1
387.30435	15.0
403.30057	8.2
405.31415	17.5
415.30026	5.2
421.31024	9.0
423.32477	5.5
433.31018	23.0
437.12195	3.5
439.31970	2.8
451.32059	36.7
452.32187	2.4
469.33182	25.8
487.34259	10.3
575.25775	1.7
581.34698	10.3
597.34058	3.4
599.35583	6.8
609.33514	2.9
615.35382	13.0
627.35260	11.8
645.36194	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	766.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05476	0.2
57.03403	0.2
57.72360	0.2
61.02896	0.3
65.03936	3.7
67.05488	0.8
69.03413	0.5
70.98725	0.6
71.04979	0.3
73.62682	0.2
75.04442	0.4
79.05468	0.8
81.03395	0.5
81.07063	0.3
82.04182	0.7
83.04965	0.3
85.02899	1.6
91.05465	2.1
93.03390	1.1
93.07041	0.5
95.01327	0.5
95.04958	1.6
97.02886	0.6
97.06513	0.3
100.11208	0.2
103.05453	1.1
103.06044	0.2
105.07008	0.9
107.01282	0.3
107.04943	2.1
107.08569	0.3
109.02860	0.3
109.06516	0.4
110.03642	4.0
111.04429	8.3
115.05458	0.7
117.06991	0.7
119.04936	2.2
119.08595	0.3
121.02003	0.2
121.02859	4.0
121.06493	1.3
122.03649	0.7
123.04395	1.5
125.05978	6.3
127.03871	0.4
128.06230	0.4
129.06987	2.0
131.04922	1.7
131.08527	0.7
133.02829	3.2
133.06483	0.8
133.10039	0.2
135.04391	0.5
135.08008	0.6
137.05962	6.7
138.03094	0.4
139.03891	1.4
141.06987	0.3
143.04965	0.5
143.08473	0.3
145.05089	0.2
145.06433	1.3
147.03334	0.3
147.04395	2.5
147.08047	0.5
149.01288	0.2
149.02325	1.3
149.05954	1.3
151.03932	1.0
151.06392	0.3
151.07526	3.7
152.07845	0.2
153.05447	16.8
155.07120	0.2
157.06474	2.8
158.07245	0.2
158.33562	0.2
159.04398	0.2
159.08060	1.3
160.05159	0.3
161.05962	2.3
161.09605	1.4
162.06702	0.6
163.03848	0.3
163.07535	2.1
165.05470	1.4
165.06985	0.7
165.09070	0.4
167.07033	4.7
167.08420	0.5
169.06482	0.5
172.05109	0.3
173.05881	0.3
174.06714	1.5
175.07533	3.0
177.05449	1.6
177.06923	0.4
177.09114	0.8
178.07776	0.6
179.07007	1.6
179.08499	0.5
179.90025	0.2
181.04948	3.9
181.06468	0.8
181.08537	1.5
181.10008	0.3
182.07262	0.5
183.08002	0.3
184.05191	0.7
185.05978	0.2
186.06734	0.2
187.07603	1.4
188.08319	0.7
189.07275	0.4
189.09082	5.6
190.07744	0.2
191.06970	1.0
191.08556	0.5
191.10596	0.2
193.06654	0.4
193.08578	0.8
193.10193	0.5
194.07233	0.4
195.08006	1.9
195.09894	0.3
196.08839	0.5
197.05922	0.7
197.09590	0.7
198.06795	0.3
199.07510	0.4
201.09111	0.9
202.07721	0.3
203.06987	0.4
203.08647	0.4
205.06509	0.4
205.08594	0.6
206.07269	0.5
207.08047	1.3
207.09940	0.3
208.08928	0.3
209.05994	0.6
209.08076	1.5
209.09665	0.5
210.06689	1.4
211.07594	1.4
211.09505	0.3
212.08319	0.9
213.09061	0.7
215.07036	0.2
217.06512	0.8
217.08591	1.3
218.07195	0.5
219.08054	1.3
219.10156	4.0
220.08725	0.5
221.05975	0.9
221.08002	0.7
221.09804	2.0
222.06729	0.7
222.10339	0.9
223.07570	2.4
223.11188	0.6
224.08250	1.1
225.05521	0.5
225.09087	2.2
225.12627	0.3
226.06219	0.3
226.09921	0.3
227.07040	1.2
227.10648	0.8
229.08571	0.5
231.08083	0.5
232.08615	0.3
233.09749	0.5
234.06726	2.0
235.07570	1.1
236.08328	0.8
237.05382	0.4
237.09050	2.4
238.06210	1.5
238.09824	1.8
239.07010	2.3
239.10602	1.1
240.07774	4.4
241.08546	1.4
242.09337	0.5
246.06912	0.2
247.07497	0.7
248.08261	0.8
249.05659	0.4
249.09073	3.5
249.11258	0.9
250.06232	0.3
250.09753	0.6
251.07057	1.7
251.10753	1.2
252.07736	1.6
253.08572	11.4
253.12206	4.8
254.09343	1.4
255.06503	1.3
255.10129	2.8
256.07309	0.4
256.10806	0.3
257.08090	1.3
257.11438	0.5
261.09079	1.0
262.06287	0.3
262.09698	0.3
263.07059	1.1
263.10681	0.6
264.07813	0.7
265.08603	2.1
266.06158	0.4
266.09323	2.5
267.06558	1.0
267.10159	3.0
268.07306	1.8
268.10498	0.4
269.08038	2.3
269.11682	0.6
270.08862	1.6
270.12494	0.5
271.09909	0.3
271.13214	0.8
272.10449	0.5
277.08542	2.8
278.09378	1.4
279.06485	0.6
279.10135	1.5
280.07278	0.6
280.10812	0.3
281.05151	0.4
281.08112	3.1
281.11703	5.0
282.08841	1.2
282.11819	0.4
283.06073	0.7
283.09613	5.5
283.12778	0.4
284.10394	2.3
285.07532	0.8
285.11142	2.8
285.14764	1.5
286.08215	0.3
291.10013	0.3
293.08157	0.5
293.11606	0.6
294.08804	0.9
295.09653	3.3
296.10382	1.2
297.07925	0.4
297.11069	1.8
298.08389	0.7
298.11984	1.5
299.09430	0.2
299.12735	5.6
300.09982	1.8
301.10522	0.3
303.15836	0.8
307.09653	0.4
308.10406	0.2
309.11179	6.7
310.11951	2.1
311.09180	0.5
311.12695	1.6
312.09906	0.6
313.10663	9.3
313.14310	3.9
314.11215	0.6
315.12228	0.4
316.13031	0.4
321.11139	0.9
323.09146	0.2
323.12939	0.6
325.10782	0.5
325.14331	0.3
326.11417	0.9
327.12228	23.4
328.13004	2.2
329.13770	5.7
331.15359	3.0
339.12231	3.4
340.12784	0.3
341.13818	4.6
343.15317	2.0
344.12128	0.2
345.17093	1.2
353.13754	0.6
355.15277	0.5
357.13312	2.7
357.17181	0.2
359.14835	100.0
360.15344	2.7
361.16412	2.8
371.14838	16.9
372.15265	0.5
373.16382	0.4
375.14282	0.9
385.16382	0.3
389.15884	10.4
390.16461	0.3
397.16339	0.2
407.28864	0.2
491.20511	0.8
509.21561	2.2
521.21155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
56.00700	0.2
57.03424	0.3
61.02912	0.3
65.03928	3.3
67.05486	1.1
69.03405	1.1
70.06567	1.0
71.04971	0.8
71.61707	0.3
72.08120	0.2
78.04732	0.3
79.05453	0.9
81.03409	1.2
81.07027	0.5
82.04166	0.4
83.04955	0.2
85.02418	0.2
85.02891	2.8
86.09673	0.4
91.05460	2.1
91.26559	0.2
93.03372	0.9
93.07005	0.6
95.01294	0.5
95.04964	1.4
95.08559	0.7
97.02864	0.7
97.06504	0.6
99.04417	0.4
103.05470	1.1
105.07005	1.1
107.01310	0.2
107.04938	1.9
107.08588	0.6
108.02081	0.2
109.02842	0.6
109.06466	0.5
109.10122	0.4
110.03651	3.3
111.04430	6.6
115.05427	0.5
117.06979	0.7
118.07269	0.2
119.04943	1.9
119.08535	0.8
121.02833	3.4
121.06479	1.0
121.10089	0.5
122.03649	0.3
123.04405	2.0
123.08056	0.3
125.05969	5.6
127.03909	1.1
128.06209	0.5
129.06973	2.5
131.04922	1.8
131.08548	1.3
133.02846	2.7
133.06519	1.2
133.10127	0.4
135.04385	0.8
135.08009	1.0
137.05957	6.9
138.03098	0.4
139.03885	1.7
141.06944	0.3
143.04930	0.4
143.08501	0.5
144.05653	0.3
145.04973	0.4
145.06448	1.1
145.10109	0.5
147.04385	2.7
147.08018	0.4
149.02394	1.2
149.05969	1.9
149.09560	0.3
151.03926	1.1
151.07524	3.2
153.01871	0.3
153.05443	13.6
155.08223	0.3
157.06454	2.5
157.10062	0.4
159.04382	0.4
159.08052	1.2
159.11620	0.6
160.05176	0.5
161.05959	2.3
161.09581	1.3
162.06703	0.6
163.03883	0.5
163.07527	2.4
165.05432	1.3
165.06950	0.9
165.09145	0.3
167.07025	11.7
167.08482	0.6
169.06471	0.6
169.10037	0.3
171.06467	0.5
171.07983	0.4
171.11612	0.3
173.05963	0.5
174.06741	1.8
175.03925	0.2
175.07532	2.9
177.05446	2.2
177.09061	1.0
178.07759	0.6
179.06996	1.7
179.08472	0.6
181.04962	3.9
181.06438	0.6
181.08537	1.6
182.07230	0.5
183.07964	0.4
184.05156	0.4
184.08817	0.3
185.06053	0.3
185.13264	0.6
187.07487	1.1
187.14774	0.3
188.08267	0.5
189.05467	0.5
189.07269	0.2
189.09082	6.3
189.10727	0.5
191.07016	0.9
191.08566	0.5
191.10645	0.3
192.07542	0.3
193.06577	0.4
193.08545	1.3
193.10115	0.6
194.07211	0.3
195.08034	1.4
195.10045	0.6
196.08676	0.3
197.05898	0.5
197.09589	0.7
199.07573	0.5
201.09094	0.8
201.12619	0.3
202.07704	0.3
203.06905	0.3
203.08687	0.4
203.10522	0.3
205.06509	0.3
205.08505	0.3
206.07191	0.4
207.06389	0.4
207.08078	0.5
207.10017	0.4
208.05066	0.2
208.08730	0.4
209.05995	0.6
209.08061	1.5
209.09711	0.5
210.06694	1.3
211.07518	1.0
211.09601	0.9
212.08299	0.8
213.09029	0.6
217.06749	0.2
217.08566	1.2
218.07271	0.4
219.08038	0.8
219.10083	6.2
220.08803	0.6
221.05910	1.0
221.07988	0.7
221.09795	1.3
222.06792	0.3
222.10364	0.4
223.07552	1.8
223.11148	0.4
224.08292	0.7
225.05469	0.5
225.09003	2.2
225.12723	0.3
226.06157	0.3
227.07008	0.8
227.10631	0.6
229.08640	0.3
231.07983	0.4
231.13599	0.2
232.08824	0.2
233.09648	0.5
234.06693	0.9
235.07494	0.9
236.04552	0.3
236.08347	0.5
237.05388	0.3
237.09105	2.0
237.11334	0.3
238.06203	0.7
238.09862	1.5
239.06927	1.6
239.10512	1.3
240.07773	4.2
241.08492	1.2
242.09262	0.3
244.10704	0.2
246.06935	0.4
247.07526	0.6
248.08325	0.7
248.63113	0.2
249.05412	0.3
249.09074	2.5
249.11281	0.5
250.06099	0.4
250.09827	0.5
251.06960	1.2
251.10648	1.0
252.07764	1.3
253.08563	9.0
253.12199	3.8
254.09314	1.6
254.11679	0.3
255.06505	1.1
255.10136	2.5
256.06995	0.2
257.08084	1.4
257.11673	0.3
261.09113	1.0
262.06161	0.3
262.09692	0.3
263.06985	0.7
263.10669	0.5
264.07745	0.4
265.08539	1.7
265.12192	0.3
266.06146	0.4
266.09296	1.9
267.06586	0.7
267.10144	1.8
268.07224	1.2
268.10828	0.4
269.05112	0.3
269.08008	2.1
269.11862	0.4
270.08865	1.2
270.12311	0.5
271.09561	0.3
271.13275	0.7
272.10455	0.5
277.08517	2.2
278.09274	0.9
279.06641	0.7
279.10196	1.2
280.07291	0.4
280.10995	0.4
281.08072	2.3
281.11703	3.9
282.08740	1.0
283.06421	0.5
283.09601	5.4
283.12802	0.5
284.10312	1.9
285.07935	0.5
285.11203	2.2
285.14767	1.2
291.10019	0.6
292.10800	0.3
293.08170	0.4
293.11536	0.7
294.08871	1.1
295.09598	2.6
296.10403	1.2
297.07922	0.4
297.11200	2.2
298.08432	0.7
298.11975	1.4
299.09372	0.4
299.12689	4.2
300.09836	1.5
301.10529	0.3
303.04999	0.4
303.15924	0.7
304.05591	0.2
306.08890	0.2
307.09705	0.5
308.10489	0.4
309.11124	5.2
310.11942	1.6
311.09222	0.4
311.12708	1.6
312.09802	0.6
312.13336	0.4
313.10648	8.0
313.14301	4.0
314.11310	0.4
315.12173	0.5
316.13043	0.4
317.13885	0.4
321.11224	1.0
323.12857	0.4
326.11441	0.9
327.12216	20.2
328.12814	1.7
329.06653	0.8
329.13757	6.2
330.06647	1.1
331.15356	2.9
338.11337	0.3
339.12207	4.1
339.16077	0.2
340.12784	0.5
341.13791	4.7
343.15326	1.8
345.16879	0.8
347.15005	0.3
353.13724	0.8
355.15359	0.7
357.13290	3.6
359.14822	100.0
360.15189	3.6
361.16400	3.7
367.15326	0.4
371.14832	19.4
372.15134	0.7
373.16422	0.5
375.14346	1.3
375.18369	0.2
385.16504	0.4
389.15875	12.0
397.16483	0.2
436.29327	0.4
482.29831	0.5
491.20547	0.6
499.30676	0.5
500.30847	1.2
509.21564	2.0
517.31445	0.9
518.31946	2.2
521.21002	0.8
551.21729	0.5
578.18390	0.3
704.53778	0.2
723.72168	0.3
754.20752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	6.6
57.03434	5.3
61.02906	3.8
67.65639	2.1
69.03416	11.1
69.93304	11.5
70.06566	2.3
70.84216	2.1
73.02906	3.4
81.03423	2.6
85.02895	23.9
91.03899	2.0
96.35187	2.0
96.70459	2.2
97.02880	12.4
98.97585	13.1
106.96564	3.8
109.02843	2.3
110.23534	2.1
116.98583	10.8
119.01894	19.7
122.46269	2.1
124.97605	3.2
127.03899	15.6
128.98627	5.0
131.00153	3.1
131.01868	11.6
131.52036	2.3
132.01776	2.8
133.03465	4.5
134.99643	4.6
135.04433	2.9
137.01933	4.9
137.02878	3.5
137.51938	2.6
139.00708	3.6
139.03900	4.0
142.98671	3.7
143.00163	3.5
143.01865	20.8
143.51962	3.3
145.00722	2.4
145.03410	8.7
145.04881	5.0
146.99629	8.1
147.04372	3.4
149.01164	4.3
150.99036	2.8
153.02223	2.7
154.98640	3.2
155.01855	9.8
156.02007	3.4
157.03500	3.4
158.99652	6.8
160.01289	4.0
161.01242	6.1
161.02946	34.4
162.00134	2.0
162.02937	4.0
162.15031	2.1
163.03851	21.6
164.02422	2.3
164.04315	4.8
166.01372	2.5
166.51276	3.0
167.02011	6.5
169.03456	3.6
170.99660	3.4
171.04953	3.5
172.01396	2.3
173.02954	25.5
173.53012	4.6
174.02852	3.2
175.02902	3.7
175.04422	5.0
177.00687	6.8
178.98627	4.3
181.01759	2.4
183.05035	3.7
185.02928	33.9
187.04518	8.3
189.00693	10.6
189.06023	3.0
190.02441	4.0
190.98735	2.6
191.02225	4.2
191.03865	3.7
193.00067	3.0
196.02344	2.9
196.52536	2.5
196.99762	5.1
197.02965	16.5
198.01259	4.7
198.03763	4.0
199.99478	2.3
201.00700	10.3
201.06050	3.6
202.02386	6.4
203.00705	2.7
203.03992	22.8
203.54077	3.5
205.00063	3.4
205.05569	3.1
206.03600	2.6
207.01619	2.4
208.99677	7.9
211.02844	4.3
212.02560	2.7
213.04399	2.7
215.03979	8.1
217.05502	5.1
218.03519	3.2
219.01750	16.8
219.03824	2.7
219.04875	3.0
221.03218	3.1
221.05104	9.6
223.02876	2.6
224.54547	3.0
225.04454	8.4
226.02585	4.9
227.00777	4.8
227.04042	12.3
231.01738	6.2
232.03271	2.4
237.02890	14.6
240.02301	4.9
243.01895	4.5
244.48248	2.7
245.02492	3.6
245.05052	100.0
246.05144	5.9
251.00549	2.8
252.98457	2.7
254.55760	2.3
257.02097	3.6
257.04996	5.9
261.02789	15.0
261.05325	2.3
262.03546	2.5
263.06085	20.3
264.98642	3.7
267.01923	4.0
269.01694	14.9
275.06073	15.6
276.06107	3.1
278.05594	2.6
279.04153	10.5
279.99390	3.7
284.56769	3.4
287.03003	12.5
291.03751	2.7
291.09253	2.8
293.07053	3.2
299.02817	4.6
305.07205	14.2
306.07117	2.5
307.08801	3.6
321.04852	4.3
321.10339	12.5
329.03772	6.5
335.07974	4.4
344.06558	3.0
345.10236	6.8
347.04919	4.6
351.08887	6.7
351.58624	3.6
358.06891	6.3
358.60345	2.8
362.09570	3.3
363.05594	3.0
365.09299	37.8
365.59549	3.1
366.09262	7.3
373.08102	5.2
373.58200	4.1
381.06775	7.1
383.09991	2.9
387.05850	4.5
389.06348	3.2
391.05087	3.0
407.06406	3.2
418.03812	3.2
424.09927	3.0
424.59894	4.2
425.03809	8.4
425.11685	63.8
441.09311	2.9
443.04257	5.1
447.61771	4.0
448.08090	8.9
449.08401	11.3
455.12402	5.1
469.09903	3.8
471.10071	5.0
485.12863	6.9
499.11276	4.1
507.10037	6.5
509.09998	5.2
515.09070	9.1
529.11835	4.9
762.60712	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	767.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
55.05503	9.2
57.03413	6.2
57.07058	3.1
61.02915	4.0
67.05499	16.4
69.03423	25.6
69.07047	10.8
70.71773	8.7
71.04974	10.8
73.02900	5.1
79.05479	14.2
79.87849	2.5
81.03398	22.2
81.07051	41.4
83.04974	9.1
83.08592	4.9
85.02895	45.1
85.06519	6.1
86.09697	4.4
87.00836	17.4
91.05468	35.8
93.07027	41.2
95.04964	11.9
95.08035	3.9
95.08597	42.2
97.02874	18.3
97.06536	15.0
99.04449	6.6
99.08071	7.8
103.05453	4.7
105.01852	4.9
105.07020	70.7
107.04942	6.6
107.08578	40.6
109.02860	15.6
109.06490	11.7
109.10131	19.7
111.04460	4.3
111.08080	2.9
113.05978	6.4
115.03873	2.9
115.05395	3.7
117.07010	21.5
119.04897	2.9
119.08571	100.0
120.08933	3.3
121.06488	15.8
121.10123	36.5
123.04388	3.8
123.08057	9.3
123.11775	4.2
127.03901	25.9
128.06166	7.0
129.07008	10.5
130.07739	3.5
131.04884	3.3
131.08556	58.3
133.06473	7.4
133.10110	49.7
135.04381	2.8
135.08023	13.2
135.11674	11.7
136.07555	13.2
137.05972	10.1
137.09636	7.2
139.03871	8.0
141.06998	4.1
142.07768	11.3
143.08543	37.8
144.09233	3.7
145.04935	7.5
145.06494	3.7
145.10106	84.5
146.10477	3.9
147.04411	5.2
147.08029	19.8
147.11662	36.8
149.09590	10.4
149.13249	12.2
151.03935	6.1
151.11130	3.7
152.04289	4.0
155.08516	16.1
156.09309	6.6
157.10121	51.5
158.10748	2.9
159.02881	6.3
159.08018	7.1
159.11687	76.9
161.09584	27.1
161.13217	28.1
163.03896	5.8
163.07520	5.4
163.11159	8.6
163.14799	8.3
164.07027	6.0
165.09067	3.3
167.07039	11.3
167.08463	4.1
168.09349	5.4
169.10106	18.0
170.10826	12.1
171.08055	3.0
171.11699	37.3
172.12080	4.2
173.09586	8.9
173.11777	4.7
173.13245	67.0
174.13614	4.0
175.11189	11.8
175.14801	29.7
177.12724	9.3
179.08540	2.8
181.04948	6.1
182.11002	5.2
182.15347	3.1
183.11656	37.0
184.07291	6.4
184.12189	3.6
185.09637	3.0
185.13251	56.0
187.11162	9.4
187.14801	43.5
189.12735	45.8
189.16376	7.3
190.13069	3.0
191.07010	7.0
191.14279	23.9
192.07420	3.1
193.10381	3.2
193.12164	5.5
193.15863	3.5
195.11697	7.9
197.13211	22.7
199.03864	2.7
199.11096	5.0
199.14786	40.4
201.12737	36.8
201.16386	24.9
203.14302	43.5
205.12206	3.3
205.15831	16.9
207.11797	3.7
207.13806	8.8
209.13252	9.0
211.14790	12.7
213.12721	6.6
213.16400	11.7
215.14279	29.7
217.12332	3.0
217.15871	31.2
219.13792	8.4
221.15334	29.3
223.14905	6.1
225.16293	4.3
227.07126	2.9
227.14258	7.6
227.17978	4.8
229.15845	14.3
231.17459	4.9
233.15332	8.3
237.14857	8.8
239.18044	4.7
245.15343	7.8
247.16901	4.7
249.14594	4.3
251.18076	3.7
263.16272	4.0
283.14362	3.4
289.19128	3.5
308.06900	3.0
309.11249	3.0
339.12167	8.1
340.12561	8.2
341.13950	2.9
371.14813	17.5
372.15027	13.6
385.29047	3.4
389.28436	16.5
391.30060	4.9
401.28351	16.7
403.29770	4.2
407.29468	36.0
417.27652	6.5
419.29410	35.1
435.28867	41.6
436.29153	6.2
437.30484	27.1
439.32114	3.0
442.19791	3.4
447.28946	20.4
452.28711	4.0
453.29974	84.4
454.30405	7.3
455.31390	11.2
465.29932	39.2
466.30267	5.7
467.31540	4.3
473.32669	4.1
483.31027	91.5
484.31500	6.7
501.32065	71.8
502.32239	8.1
519.33069	17.9
520.33423	4.2
563.24915	4.1
767.25519	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	767.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88003	1.7
55.01857	6.0
55.05495	8.7
57.03416	6.9
57.07057	2.6
61.02905	2.2
65.03912	2.3
67.05494	15.0
69.03420	26.1
69.07058	11.1
70.19623	6.9
71.01336	1.8
71.04986	4.7
73.02927	3.2
79.05492	15.2
79.91854	1.6
81.03404	19.6
81.07051	32.1
83.04962	5.8
83.08611	5.9
85.02892	50.8
87.00817	19.2
91.03954	1.9
91.05463	22.4
93.07028	32.1
95.04974	11.1
95.08594	43.9
97.02878	25.9
97.06512	7.1
97.10133	3.8
99.04449	11.5
99.08060	5.4
103.05403	2.0
105.01853	13.0
105.07014	53.2
107.04942	5.3
107.08578	52.7
109.02868	20.7
109.06499	10.1
109.10134	22.7
111.04445	7.0
111.08052	3.1
113.05898	1.6
115.03916	12.5
117.06968	15.8
119.08565	93.0
120.08941	1.6
121.06492	23.4
121.10126	37.9
123.04418	2.6
123.08035	7.1
123.10833	2.0
123.11684	12.1
125.05959	4.0
127.03891	27.3
127.07507	3.4
128.06213	4.1
129.05455	2.2
129.06966	9.4
130.07816	2.6
131.08551	47.2
133.06454	6.3
133.10114	52.0
133.11058	3.4
135.04480	1.7
135.08046	16.6
135.11678	21.9
137.05978	7.7
137.09596	4.2
139.07457	2.2
141.06943	2.4
142.07742	5.7
143.08542	22.8
144.09305	3.9
145.04932	6.4
145.06439	4.7
145.10098	70.8
147.08014	21.9
147.11671	40.1
149.05986	2.1
149.09624	4.2
149.13240	13.5
151.07555	4.4
151.11177	1.7
153.09045	3.3
155.08554	6.1
156.09306	8.6
157.06523	2.4
157.10104	29.8
158.10838	5.8
159.02917	8.1
159.08060	14.1
159.11678	49.4
161.09602	26.0
161.13219	35.0
163.07553	5.5
163.11130	14.8
163.14815	16.0
165.06918	1.7
165.09071	3.8
167.08527	2.3
168.09380	2.7
169.10074	10.0
170.10895	4.7
171.07941	2.3
171.11665	29.7
172.08827	4.0
172.12347	3.0
173.09654	11.8
173.13239	50.6
175.07626	2.8
175.11201	14.5
175.14803	28.7
177.09108	7.6
177.12714	12.0
177.16376	14.3
179.14323	4.6
181.10129	4.1
182.10817	3.4
183.11671	22.8
184.12286	1.9
185.09615	6.3
185.13245	42.1
186.10382	2.2
187.11171	25.2
187.14795	100.0
188.15108	3.3
189.12721	72.1
189.16333	27.5
191.10670	3.2
191.14330	10.3
191.17928	20.2
192.18379	2.6
193.12297	3.1
193.15855	3.5
195.11751	5.8
197.09444	2.3
197.13251	9.9
199.11169	13.8
199.13072	3.2
199.14775	27.1
201.12726	24.6
201.16347	61.7
203.10654	2.1
203.14291	22.5
203.17934	37.2
205.12227	29.4
205.15823	4.7
207.13844	5.0
207.17502	2.2
209.13232	5.9
211.14780	5.4
213.03818	8.1
213.12752	11.4
213.16296	12.9
215.14281	35.7
215.17935	5.8
217.12312	8.3
217.15811	13.5
219.13823	15.1
219.17464	4.9
221.13382	3.8
221.15363	5.5
223.14880	3.4
225.12666	2.6
225.16417	5.7
227.14272	7.3
227.17870	5.6
229.12219	2.3
229.15871	9.4
229.19444	2.8
231.04913	3.7
231.13734	9.3
231.17372	4.1
233.15311	11.5
235.13254	5.5
235.16969	4.4
237.14871	5.5
239.14310	3.5
239.17918	4.5
241.15822	2.5
245.15450	11.7
247.16846	11.3
249.14668	12.6
249.18521	11.6
251.18192	2.9
253.19539	2.4
255.17450	2.3
255.20967	1.9
259.16943	4.4
261.14713	2.2
267.20877	2.4
271.16672	1.9
279.17645	1.8
279.21103	1.6
307.24152	2.9
309.25922	2.8
311.20288	2.0
323.27225	2.7
325.24954	1.7
333.25879	2.8
353.24521	3.0
355.26099	2.6
363.26746	2.6
371.26553	2.0
373.28534	3.5
377.28177	2.0
381.27820	2.0
383.26968	1.8
383.92780	2.2
389.28320	30.8
391.29999	8.9
401.28244	7.5
403.29993	5.1
407.29416	48.9
409.31012	7.7
417.27631	4.9
419.29407	30.2
420.29657	2.0
421.31113	10.8
425.30545	11.5
427.28122	8.0
435.28925	44.8
436.29257	3.0
437.30438	40.6
439.32202	10.5
447.28870	10.8
453.29950	68.3
454.30423	3.9
455.31561	24.8
457.33069	7.9
465.29968	42.3
466.30484	2.8
471.31036	45.4
473.32324	5.2
483.30988	52.1
484.31808	2.5
485.32553	4.3
501.32098	35.5
501.39105	1.5
502.32425	5.8
519.33142	21.1
545.31403	1.9
591.32770	2.7
609.34058	2.2
624.16846	1.9
637.33783	2.8
665.33160	2.1
685.35339	2.3
695.34509	3.1
713.35394	2.4
767.67419	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05505	2.2
57.03426	2.9
61.02909	1.8
63.76931	0.7
65.03938	0.9
67.05504	4.1
68.99780	1.1
69.03075	0.8
69.03428	13.1
69.07061	3.4
70.06567	1.1
71.01362	0.8
71.04982	3.1
73.02904	2.1
79.05489	5.2
81.03407	12.9
81.07049	10.8
83.04962	2.6
83.08602	1.6
85.02895	21.9
85.06566	1.0
87.00809	8.1
91.03941	1.1
91.05471	8.1
93.07030	13.7
95.04932	4.6
95.08032	1.4
95.08592	13.8
97.02881	9.4
97.06533	5.5
99.04445	6.5
99.08088	5.9
103.05428	1.1
105.01855	5.4
105.07017	19.1
107.04948	2.1
107.08585	19.5
109.02863	9.3
109.06521	3.9
109.10145	6.3
111.04411	1.2
111.08057	2.1
113.27113	0.6
115.05453	1.0
117.01849	1.9
117.07017	5.0
119.04971	0.7
119.08568	30.9
119.88374	0.6
121.05740	0.6
121.06437	3.5
121.10133	13.0
123.04393	2.0
123.08050	2.3
123.11694	2.4
125.09624	0.9
127.03909	12.3
128.06236	1.6
129.01834	1.2
129.06955	3.9
130.07794	0.7
131.04872	0.8
131.08539	17.2
131.09486	1.0
133.06503	3.9
133.10120	17.9
135.04541	0.7
135.07202	0.7
135.08049	4.4
135.11667	5.6
137.05994	3.2
137.09610	2.5
139.03868	1.4
139.07555	1.1
141.07014	0.8
142.07790	1.6
142.27307	0.7
143.08548	11.0
144.09271	1.0
145.04967	4.2
145.06406	1.6
145.10103	24.4
147.04395	1.4
147.08031	3.1
147.11674	8.7
149.06007	1.5
149.09616	6.7
149.13246	3.0
151.03914	1.1
151.07532	1.3
151.11226	1.0
153.08983	0.9
155.08560	3.2
156.09340	2.5
157.10109	11.3
158.10912	1.4
159.02892	5.6
159.08041	1.8
159.11667	19.0
160.12032	1.0
161.05992	0.9
161.09602	17.5
161.13235	7.9
163.03891	1.4
163.07512	3.4
163.11179	2.1
163.14780	2.2
165.09125	0.7
167.07045	4.4
167.08516	1.6
167.10629	0.8
169.10071	3.9
170.10907	1.9
171.11678	9.1
173.09618	2.5
173.11757	0.9
173.13245	17.0
175.07463	0.8
175.11186	3.9
175.14809	8.4
177.05475	1.1
177.09059	1.4
177.12767	1.9
177.16350	1.1
181.04898	1.0
181.10117	2.1
182.10889	1.2
183.11693	6.4
185.09515	1.3
185.13242	13.3
187.11205	4.1
187.14801	17.7
189.09096	0.9
189.12714	7.2
189.16347	4.6
191.14304	4.8
193.08542	1.0
193.10229	1.1
193.12057	0.8
195.11760	3.9
197.13222	4.6
199.11227	2.1
199.14809	7.4
201.12727	9.2
201.16367	3.6
203.14294	12.9
205.12231	1.9
205.15874	5.7
207.11858	1.1
207.13857	2.3
208.12326	0.8
209.13222	2.6
211.14830	3.2
213.12764	4.6
213.16377	2.8
215.14355	7.2
217.15878	6.6
219.10085	1.0
219.13841	3.1
220.10451	0.9
220.12521	0.7
221.13194	1.8
221.15398	3.9
223.14815	2.2
223.16904	1.1
225.16444	2.2
227.14320	2.1
229.15860	2.1
231.05016	2.9
231.11761	1.2
231.13744	5.0
231.17320	1.0
233.15315	7.7
237.14699	1.2
239.18065	1.4
241.15909	2.3
245.15282	1.9
247.13213	1.3
249.14658	5.2
251.17979	1.9
253.15627	1.0
255.17363	1.8
263.16223	1.3
267.15726	1.6
269.18997	1.0
281.18814	1.2
287.20129	0.9
303.05115	0.9
305.18710	1.0
309.21957	1.1
321.22269	0.9
329.22586	1.0
335.23611	1.2
347.23584	2.1
360.15256	1.0
363.26761	0.9
365.24689	4.0
367.26712	0.8
371.15088	2.2
372.15244	1.4
383.26111	2.0
389.28384	2.6
401.28244	3.8
407.29495	4.3
409.27417	2.0
419.29419	9.8
421.31152	0.9
425.30905	1.1
429.27957	1.1
435.28979	3.9
437.30487	15.9
438.31116	0.7
447.28885	5.5
453.29904	10.3
454.30206	0.9
455.31592	14.1
456.32111	0.8
465.30002	17.3
466.30258	1.0
471.31076	1.1
473.32617	11.6
483.31042	44.0
484.31665	1.9
501.32062	50.5
502.32254	2.1
519.33136	100.0
520.33514	2.6
605.34247	1.1
731.36548	0.8
767.38458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88003	1.7
55.01857	6.0
55.05495	8.7
57.03416	6.9
57.07057	2.6
61.02905	2.2
65.03912	2.3
67.05494	15.0
69.03420	26.1
69.07058	11.1
70.19623	6.9
71.01336	1.8
71.04986	4.7
73.02927	3.2
79.05492	15.2
79.91854	1.6
81.03404	19.6
81.07051	32.1
83.04962	5.8
83.08611	5.9
85.02892	50.8
87.00817	19.2
91.03954	1.9
91.05463	22.4
93.07028	32.1
95.04974	11.1
95.08594	43.9
97.02878	25.9
97.06512	7.1
97.10133	3.8
99.04449	11.5
99.08060	5.4
103.05403	2.0
105.01853	13.0
105.07014	53.2
107.04942	5.3
107.08578	52.7
109.02868	20.7
109.06499	10.1
109.10134	22.7
111.04445	7.0
111.08052	3.1
113.05898	1.6
115.03916	12.5
117.06968	15.8
119.08565	93.0
120.08941	1.6
121.06492	23.4
121.10126	37.9
123.04418	2.6
123.08035	7.1
123.10833	2.0
123.11684	12.1
125.05959	4.0
127.03891	27.3
127.07507	3.4
128.06213	4.1
129.05455	2.2
129.06966	9.4
130.07816	2.6
131.08551	47.2
133.06454	6.3
133.10114	52.0
133.11058	3.4
135.04480	1.7
135.08046	16.6
135.11678	21.9
137.05978	7.7
137.09596	4.2
139.07457	2.2
141.06943	2.4
142.07742	5.7
143.08542	22.8
144.09305	3.9
145.04932	6.4
145.06439	4.7
145.10098	70.8
147.08014	21.9
147.11671	40.1
149.05986	2.1
149.09624	4.2
149.13240	13.5
151.07555	4.4
151.11177	1.7
153.09045	3.3
155.08554	6.1
156.09306	8.6
157.06523	2.4
157.10104	29.8
158.10838	5.8
159.02917	8.1
159.08060	14.1
159.11678	49.4
161.09602	26.0
161.13219	35.0
163.07553	5.5
163.11130	14.8
163.14815	16.0
165.06918	1.7
165.09071	3.8
167.08527	2.3
168.09380	2.7
169.10074	10.0
170.10895	4.7
171.07941	2.3
171.11665	29.7
172.08827	4.0
172.12347	3.0
173.09654	11.8
173.13239	50.6
175.07626	2.8
175.11201	14.5
175.14803	28.7
177.09108	7.6
177.12714	12.0
177.16376	14.3
179.14323	4.6
181.10129	4.1
182.10817	3.4
183.11671	22.8
184.12286	1.9
185.09615	6.3
185.13245	42.1
186.10382	2.2
187.11171	25.2
187.14795	100.0
188.15108	3.3
189.12721	72.1
189.16333	27.5
191.10670	3.2
191.14330	10.3
191.17928	20.2
192.18379	2.6
193.12297	3.1
193.15855	3.5
195.11751	5.8
197.09444	2.3
197.13251	9.9
199.11169	13.8
199.13072	3.2
199.14775	27.1
201.12726	24.6
201.16347	61.7
203.10654	2.1
203.14291	22.5
203.17934	37.2
205.12227	29.4
205.15823	4.7
207.13844	5.0
207.17502	2.2
209.13232	5.9
211.14780	5.4
213.03818	8.1
213.12752	11.4
213.16296	12.9
215.14281	35.7
215.17935	5.8
217.12312	8.3
217.15811	13.5
219.13823	15.1
219.17464	4.9
221.13382	3.8
221.15363	5.5
223.14880	3.4
225.12666	2.6
225.16417	5.7
227.14272	7.3
227.17870	5.6
229.12219	2.3
229.15871	9.4
229.19444	2.8
231.04913	3.7
231.13734	9.3
231.17372	4.1
233.15311	11.5
235.13254	5.5
235.16969	4.4
237.14871	5.5
239.14310	3.5
239.17918	4.5
241.15822	2.5
245.15450	11.7
247.16846	11.3
249.14668	12.6
249.18521	11.6
251.18192	2.9
253.19539	2.4
255.17450	2.3
255.20967	1.9
259.16943	4.4
261.14713	2.2
267.20877	2.4
271.16672	1.9
279.17645	1.8
279.21103	1.6
307.24152	2.9
309.25922	2.8
311.20288	2.0
323.27225	2.7
325.24954	1.7
333.25879	2.8
353.24521	3.0
355.26099	2.6
363.26746	2.6
371.26553	2.0
373.28534	3.5
377.28177	2.0
381.27820	2.0
383.26968	1.8
383.92780	2.2
389.28320	30.8
391.29999	8.9
401.28244	7.5
403.29993	5.1
407.29416	48.9
409.31012	7.7
417.27631	4.9
419.29407	30.2
420.29657	2.0
421.31113	10.8
425.30545	11.5
427.28122	8.0
435.28925	44.8
436.29257	3.0
437.30438	40.6
439.32202	10.5
447.28870	10.8
453.29950	68.3
454.30423	3.9
455.31561	24.8
457.33069	7.9
465.29968	42.3
466.30484	2.8
471.31036	45.4
473.32324	5.2
483.30988	52.1
484.31808	2.5
485.32553	4.3
501.32098	35.5
501.39105	1.5
502.32425	5.8
519.33142	21.1
545.31403	1.9
591.32770	2.7
609.34058	2.2
624.16846	1.9
637.33783	2.8
665.33160	2.1
685.35339	2.3
695.34509	3.1
713.35394	2.4
767.67419	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.5
55.05507	8.3
57.03432	4.6
61.02917	3.0
67.05489	15.7
68.99778	2.2
69.03416	23.3
69.07050	9.2
69.42554	18.9
69.42953	3.1
70.06581	2.1
71.04977	8.1
73.02906	3.8
79.05492	13.6
81.03411	17.2
81.07043	36.7
83.04975	5.7
83.08607	5.0
85.02891	38.1
85.06546	4.5
86.09710	2.6
87.00813	12.1
91.05463	30.0
91.66828	2.3
93.07030	36.4
95.04953	9.3
95.08587	43.6
95.09160	3.9
95.52217	1.9
97.02887	16.6
97.06508	13.0
99.04443	10.6
99.08063	4.1
103.05457	3.7
105.01849	10.2
105.07015	62.7
106.07323	2.7
107.04956	4.8
107.08575	42.8
109.02886	14.2
109.06516	10.5
109.10137	16.9
111.04445	2.6
111.08076	5.7
113.06006	6.3
117.07001	19.0
119.04994	2.3
119.08563	91.5
121.06487	13.3
121.10107	25.5
123.04453	4.0
123.08041	11.7
123.11691	5.0
125.05975	2.7
127.03873	23.0
128.06175	3.4
129.06958	11.4
130.07802	2.0
131.08543	52.5
133.06480	8.1
133.09100	2.5
133.10117	53.0
135.08064	7.6
135.11659	12.3
136.07599	11.3
137.05972	5.6
137.09624	3.0
139.03960	4.6
142.07727	9.3
143.08539	36.0
144.09282	4.5
145.04948	5.0
145.06483	2.6
145.10100	77.1
147.04486	2.6
147.08029	15.2
147.11668	29.7
149.09592	6.7
149.13249	9.4
151.03961	2.9
151.07408	2.4
151.11134	3.5
153.07127	2.0
155.08525	13.0
156.09335	9.3
157.10103	53.5
158.10837	3.8
159.02896	6.1
159.08041	5.6
159.11670	87.5
160.12039	3.5
161.09572	23.8
161.13220	26.0
163.03938	3.2
163.07539	3.5
163.11171	8.0
163.14900	5.0
164.06989	2.3
165.09145	2.1
167.07028	6.5
167.08469	3.6
168.09358	5.5
169.10065	16.7
170.10912	7.6
171.11664	40.8
173.09619	7.3
173.13232	60.1
175.11154	14.2
175.14798	32.1
177.09131	3.7
177.12781	12.8
181.10130	4.8
182.10849	4.9
183.11693	24.0
184.07301	3.7
184.12360	2.2
185.09598	2.2
185.13237	55.8
185.14818	3.2
187.11145	7.5
187.14798	45.4
188.15193	2.8
189.12720	45.5
189.16417	6.7
191.14294	16.6
193.08580	2.5
193.12233	6.5
195.11705	9.3
197.13216	22.2
199.11177	6.0
199.14803	43.6
201.12712	36.3
201.16354	17.5
203.14275	46.2
205.15881	15.0
207.13780	7.4
209.13232	7.8
211.14819	15.6
213.03938	3.0
213.12752	6.0
213.16354	10.9
215.14278	28.8
217.15851	33.5
219.13791	8.6
219.17407	4.3
221.13321	3.7
221.15302	37.6
223.14816	6.0
225.16383	6.6
227.14307	8.9
227.17874	5.1
229.15804	16.6
231.04933	2.6
231.17482	5.7
233.13251	2.5
233.15398	6.8
235.14877	3.3
237.14810	7.4
239.17940	5.0
241.15848	3.8
241.19452	2.7
243.17470	3.4
245.15347	7.3
247.13089	3.3
247.17070	3.4
251.18007	3.1
255.17461	2.2
257.18857	2.7
259.16925	4.4
263.16440	6.3
269.19034	3.1
277.19449	3.4
293.19089	2.5
309.22244	2.5
317.22388	2.1
323.23657	3.3
335.23798	3.6
339.12189	3.7
340.12665	6.0
342.21133	1.9
359.14764	3.3
363.03424	2.4
371.14737	7.9
372.15253	9.5
389.28503	15.2
391.29871	6.3
394.54251	2.0
401.28317	15.9
407.29352	32.6
417.27817	5.5
419.29330	33.4
421.30719	4.5
429.28171	3.9
435.28973	41.5
436.28842	2.6
437.30411	27.3
447.28961	24.7
453.29953	88.3
454.30136	4.1
455.31644	15.7
465.29968	46.2
483.31000	100.0
484.31207	5.1
494.32959	2.8
501.32013	88.6
502.32727	4.9
519.33087	18.8
605.26337	4.7
643.82910	2.1
731.35321	3.5
767.38635	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	767.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.03390	0.2
65.03925	0.7
67.05210	0.2
67.05498	1.8
69.03416	1.0
69.07044	0.9
71.04974	0.2
71.62151	0.2
73.02909	0.9
79.05476	1.4
81.03392	0.5
81.07047	2.6
83.04974	3.3
83.08582	0.4
85.02882	0.2
91.05467	6.6
93.07038	3.0
95.04963	0.8
95.08594	4.0
97.02872	1.9
97.06496	0.3
97.10165	0.3
99.08101	0.1
104.77802	0.1
105.07003	3.0
107.04943	0.6
107.08578	4.3
109.06508	0.5
109.10143	2.5
111.04448	0.2
111.08059	0.4
115.03898	0.7
117.07005	0.9
119.04929	16.2
119.07770	0.3
119.08567	4.2
121.10123	2.7
123.04413	0.4
123.08057	0.5
123.11677	0.7
125.09598	1.1
128.06230	0.2
129.06982	0.5
131.08557	1.4
133.06396	0.2
133.10107	3.2
134.10545	0.2
135.08066	0.3
135.11697	1.9
137.09630	0.2
137.13223	0.2
141.07031	0.2
142.07872	0.2
143.08549	0.6
145.06442	0.3
145.10123	2.7
147.04387	100.0
147.11661	2.1
148.04729	1.5
149.09579	0.3
149.13187	0.9
151.11166	0.2
153.09103	0.3
157.10092	0.8
159.11656	2.6
161.09589	0.3
161.13222	2.0
163.11171	0.2
163.14780	0.8
165.05450	5.2
165.09137	0.2
169.06569	0.2
169.10141	0.3
171.11655	0.6
173.13197	1.3
175.14795	1.5
177.09097	0.4
177.12694	0.2
177.16357	0.6
183.11642	0.3
185.13251	0.5
187.14761	2.3
189.16377	2.1
191.14288	0.4
191.17960	1.2
193.15860	0.2
197.13255	0.2
199.14790	0.6
201.03888	0.1
201.05444	3.7
201.07149	0.3
201.16357	3.0
203.14305	0.3
203.17908	2.0
205.15837	1.4
205.19557	0.3
211.14914	0.2
213.16388	0.7
215.17914	1.7
217.15877	0.6
219.17459	0.9
221.15311	0.7
227.17935	0.3
229.19566	0.3
231.17336	0.3
233.19011	0.4
235.16917	0.7
241.19458	0.3
243.06601	0.2
243.21030	0.3
247.16913	1.4
249.18513	0.5
255.20992	0.2
261.07541	10.4
261.18454	1.0
262.07895	0.4
275.20154	0.4
279.08591	3.3
311.23871	0.3
325.28824	0.7
329.24908	0.2
347.97458	0.2
349.29007	0.2
357.27887	0.4
371.29428	0.6
379.33603	0.2
389.32007	0.5
395.29251	0.8
407.33023	3.0
423.32516	0.2
425.34143	1.3
435.32614	1.4
443.35199	0.4
453.33591	8.0
454.34052	0.5
471.34848	0.4
591.06879	0.2
605.41608	0.2
635.39569	0.2
694.25861	0.2
767.47101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
55.05494	1.0
57.03416	0.4
57.07068	0.2
65.03927	0.6
67.05492	1.4
69.03423	0.9
69.07056	0.8
69.81881	0.2
71.63669	0.3
71.64050	0.2
73.02888	0.5
79.05494	1.0
81.07042	2.9
83.04971	3.6
83.08603	0.6
85.02872	0.4
91.05470	6.7
91.54370	0.2
93.07027	3.0
94.34700	0.2
95.04958	0.9
95.08589	4.3
97.02872	1.1
97.06500	0.3
97.10173	0.3
100.65199	0.2
105.07015	3.1
107.04961	0.6
107.08578	4.2
109.06519	0.4
109.10141	1.9
110.96351	0.2
111.08035	0.4
115.03897	0.7
117.06975	0.4
119.04929	16.8
119.08559	4.0
121.10136	2.9
123.04414	0.4
123.08102	0.3
123.11697	1.1
125.09618	1.3
129.07025	0.2
131.08559	1.5
133.06422	0.2
133.10110	3.2
135.08026	0.2
135.11674	1.8
137.13269	0.3
143.08548	0.6
145.06454	0.2
145.10109	2.9
147.04388	100.0
147.11661	1.9
148.04713	1.5
149.09621	0.2
149.13293	1.1
151.11168	0.3
157.10121	0.7
159.11655	2.8
161.13235	2.3
163.11205	0.2
163.14778	0.7
163.98407	0.2
165.05449	5.0
171.11693	0.5
173.13211	1.8
175.14828	1.4
177.09148	0.2
177.12778	0.2
177.16379	0.7
185.13295	0.5
187.14810	2.3
189.16379	2.1
191.17955	1.2
197.13234	0.3
199.14798	0.6
201.05470	2.4
201.16360	2.5
203.14316	0.4
203.17906	1.8
205.15860	1.1
205.19417	0.3
213.16351	0.9
215.17934	1.8
217.15823	0.6
219.17412	0.9
221.15393	0.5
225.16519	0.2
227.17976	0.4
229.15964	0.2
229.19499	0.2
233.15297	0.3
235.16924	0.6
239.18176	0.2
241.19662	0.2
247.16948	1.8
247.45018	0.2
249.18602	0.6
255.20940	0.2
261.07550	6.5
261.18375	1.4
262.07901	0.2
267.20963	0.3
275.20071	0.2
279.08572	4.1
283.24130	0.2
293.22867	0.2
297.09744	0.2
311.23825	0.3
313.21121	0.2
325.29004	0.5
349.28818	0.3
357.28098	0.3
371.29324	0.6
389.31870	0.6
395.29233	0.8
407.33109	2.9
408.33350	0.2
423.32379	0.3
425.34003	1.6
435.32611	1.2
443.35211	0.3
453.33585	7.7
454.33792	0.4
589.69153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05502	5.9
57.03419	3.2
59.04984	2.0
60.80430	1.1
61.02913	3.4
65.03927	1.4
67.05492	8.9
68.99780	1.8
69.03063	1.4
69.03417	16.6
69.07063	7.7
69.92221	1.8
69.92633	4.2
71.04967	4.1
72.22414	1.0
73.02901	3.7
77.03934	1.2
79.05473	10.0
81.03403	17.3
81.07047	22.2
83.04979	2.6
83.08611	5.7
85.02892	35.2
85.06535	1.7
86.09689	2.3
87.00810	12.6
91.03952	1.7
91.05462	16.7
93.07031	25.9
95.04971	6.9
95.08594	30.4
96.08921	1.4
97.02887	17.7
97.06509	7.5
97.10166	2.0
98.20821	1.4
99.04435	7.5
99.08072	1.8
103.05457	1.4
105.01855	9.2
105.07017	44.9
107.04935	1.6
107.08575	37.4
108.04451	2.5
109.02869	13.7
109.06509	7.7
109.10139	20.1
111.04446	1.1
111.08060	3.3
115.03918	1.7
115.05412	2.1
117.01830	1.7
117.07007	9.9
119.08562	72.5
120.08902	1.9
121.06489	8.0
121.09283	2.2
121.10124	30.2
122.10442	2.0
123.04415	2.6
123.08071	6.1
123.11708	4.3
125.09579	3.6
126.05442	1.2
127.03891	21.0
128.06171	3.0
129.06998	6.1
130.07761	1.1
131.08553	35.4
133.06459	1.6
133.10104	36.2
135.08061	7.1
135.11673	12.6
137.09598	5.8
137.13213	2.0
139.03851	1.3
140.64049	1.1
141.06972	1.4
142.07748	4.4
143.08537	21.2
144.09291	3.4
145.04935	5.9
145.10098	61.1
146.10489	2.2
147.08080	5.9
147.11670	24.0
149.09605	6.0
149.13235	10.3
151.07521	1.8
151.11180	1.4
154.07809	1.1
155.08553	5.0
156.09297	4.9
157.10103	36.5
158.10802	4.2
159.02884	7.3
159.08009	1.8
159.11668	43.6
161.05992	1.8
161.09610	11.8
161.13222	16.4
162.09953	1.5
162.13574	1.7
163.07481	3.8
163.11156	6.5
163.14792	11.8
165.07082	1.3
165.09119	1.5
165.12726	2.2
167.07024	26.2
167.10634	1.9
168.09210	1.3
169.10112	9.1
170.10851	4.9
171.11658	23.2
172.12280	1.7
173.09593	2.6
173.13239	57.4
174.13556	1.6
175.11169	7.7
175.14796	25.7
177.12708	7.3
177.16338	5.2
181.10097	5.5
182.10875	2.8
183.11646	15.6
184.07292	4.0
184.12465	2.6
185.09569	2.2
185.13240	32.5
186.13681	1.7
187.11136	4.8
187.14793	50.6
188.15181	2.2
189.12706	9.3
189.16376	12.3
190.13046	2.5
191.14285	31.9
191.17902	3.3
193.08493	2.2
193.10127	1.7
193.12219	2.7
193.15811	2.5
194.09355	1.8
195.11635	5.8
197.13194	14.2
199.11075	2.0
199.14790	47.5
200.15375	2.0
201.12764	9.5
201.16360	30.1
202.16832	1.8
203.14285	24.5
203.17978	6.5
205.12207	3.2
205.15854	10.9
207.11697	2.5
207.17378	2.3
209.09689	1.6
209.13213	5.6
211.09615	2.6
211.14746	7.9
213.03996	2.6
213.12791	2.3
213.16365	11.4
215.14246	6.6
215.17911	4.1
217.12401	1.5
217.15865	30.2
219.13747	3.0
219.17363	2.9
221.13373	2.1
221.15335	38.2
223.14816	2.6
223.16925	4.0
225.16431	3.2
227.14374	3.3
227.17903	4.7
229.15860	4.1
229.19411	1.8
231.04965	4.8
231.13805	2.6
231.17433	4.0
233.13216	1.8
233.15337	6.4
235.14847	2.2
235.16920	4.5
237.16415	2.9
239.14311	1.5
239.16159	6.8
243.17413	1.9
245.15355	7.3
245.19179	1.3
247.16968	4.3
248.07724	1.7
249.18497	2.8
253.19383	2.6
255.17456	1.4
259.16959	1.6
263.16403	4.5
265.19534	2.2
266.08682	2.0
267.21027	1.5
289.19385	1.4
365.28387	4.0
375.30756	1.7
385.28735	5.0
390.28839	2.2
391.29895	6.8
393.31522	2.8
403.25143	1.8
403.29935	15.2
405.31412	3.7
408.29672	1.7
409.30826	3.4
419.16977	1.8
419.29456	4.3
420.29715	1.6
421.30969	29.7
423.32504	10.3
431.29309	4.7
436.29477	2.2
437.30508	7.3
438.30682	2.1
439.32016	36.1
441.33661	4.3
447.20126	3.9
449.30447	17.2
453.30103	1.7
454.30194	3.9
457.32880	4.0
466.30377	2.9
467.31531	100.0
468.31635	1.5
472.31467	3.0
484.31253	3.5
485.32538	50.7
486.33026	2.1
502.32446	3.9
503.33286	1.6
550.74823	1.4
564.83942	1.4
575.33215	1.8
651.34619	1.6
735.25861	1.5
756.68976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.4
55.05504	23.3
57.03437	6.3
57.07064	2.1
59.04993	0.9
61.02904	1.5
65.03945	5.1
67.05495	69.7
69.03423	4.5
69.07053	20.3
69.46103	6.8
69.46530	3.1
71.01337	1.0
71.04622	1.4
71.04977	6.2
71.08611	1.3
73.06548	2.2
75.66267	1.2
77.03893	1.3
79.05483	75.8
80.05822	1.0
81.03400	10.0
81.07047	77.1
82.07376	1.4
83.04977	15.2
83.08596	9.1
85.02896	1.8
85.06529	7.0
88.59911	1.0
91.05468	83.5
93.07030	78.3
95.04956	28.0
95.05531	1.3
95.08595	37.2
97.02847	2.5
97.06516	9.1
97.09589	1.1
97.10158	4.7
98.20860	2.7
98.21517	1.9
99.04453	2.3
99.08086	2.6
101.06007	1.1
103.05457	2.3
105.04523	2.0
105.07018	64.7
106.07381	1.3
107.04951	11.3
107.08580	42.2
108.08868	1.1
109.02879	1.4
109.06511	11.3
109.10139	42.4
111.04424	2.1
111.08098	4.7
113.06025	1.8
115.05428	2.9
117.07005	14.6
119.08562	31.5
121.06489	10.7
121.10139	11.6
121.52244	1.0
123.04483	1.2
123.08063	7.8
123.11694	8.7
125.09627	1.5
127.03900	1.2
127.07526	3.2
128.06258	3.6
129.06979	17.0
131.08548	16.3
131.58600	1.2
131.82864	1.0
133.06490	6.3
133.10112	62.5
135.08015	9.7
135.11659	7.7
137.09598	2.2
139.07547	2.3
141.09064	1.1
143.08533	10.6
145.06438	1.7
145.10118	15.8
147.08089	6.9
147.11668	34.3
149.09647	8.1
149.13234	1.8
151.11166	26.6
156.09280	1.5
157.10165	4.1
159.08087	1.7
159.11671	6.9
161.09618	10.8
161.13226	12.0
163.11209	3.7
165.09099	1.5
167.08614	1.1
169.10057	1.9
169.12299	2.8
171.11653	21.3
173.13164	2.1
175.11174	4.1
175.14806	1.3
177.09148	2.5
177.12807	1.8
179.10583	1.4
179.14314	1.3
183.11671	1.7
184.07298	2.3
185.13319	2.6
187.11224	1.4
189.12689	9.3
195.11646	1.4
199.11110	1.6
207.13786	22.7
213.16344	1.6
215.12759	3.0
220.16945	1.3
225.14812	2.3
245.18982	5.2
251.12762	4.3
253.14325	88.7
254.14720	1.9
255.17514	2.9
259.20615	1.8
263.16476	1.2
263.20026	4.1
273.18457	33.0
281.17438	53.4
291.19519	35.8
291.22797	1.5
304.26291	3.0
309.20587	4.3
317.24548	1.3
324.11783	1.1
333.24185	1.4
336.25266	1.6
347.22110	13.8
365.23169	29.6
473.29779	1.1
475.26819	3.0
477.28400	28.0
479.31482	1.8
527.37103	2.3
529.38599	3.0
553.35065	20.6
571.36212	100.0
572.36359	2.4
589.37506	2.0
609.45105	11.7
627.46198	3.1
650.36969	1.4
652.39081	2.6
768.47296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.05503	15.4
55.05753	0.7
56.76263	0.4
57.03436	4.0
57.07050	0.8
59.04966	0.6
61.02905	0.8
65.03899	1.8
65.38032	0.5
67.05498	29.4
69.03423	5.2
69.07062	17.4
71.04953	1.7
71.63889	0.5
71.64275	0.5
72.27666	0.4
72.74857	0.4
73.02887	0.8
73.06545	0.7
77.03891	0.7
79.05483	34.4
81.02983	0.4
81.03416	5.8
81.07047	25.5
82.07337	0.6
83.04978	7.7
83.08611	6.8
85.02868	1.8
85.06499	0.9
87.04439	0.7
91.05471	28.2
93.07033	30.4
94.07325	0.6
95.01279	0.7
95.04958	14.2
95.08599	14.1
97.02377	0.4
97.02874	5.4
97.06509	3.9
97.10156	8.7
103.05431	0.7
105.03342	0.8
105.04487	0.7
105.07019	22.0
107.04946	6.7
107.08585	13.0
109.02836	0.5
109.06495	3.7
109.10127	5.8
111.04420	0.5
111.08041	1.3
115.05405	1.1
116.06157	0.5
117.06230	0.6
117.07001	7.7
119.04891	1.2
119.08571	17.7
121.06503	2.6
121.10137	3.9
123.08051	3.8
123.11626	1.0
125.09602	6.4
128.06177	1.4
129.07001	7.4
130.07700	0.7
131.08546	4.6
133.06456	2.7
133.10130	7.0
134.07294	1.0
135.08003	1.9
135.11633	2.0
137.09550	1.4
141.06949	0.8
142.07727	0.9
143.08540	5.3
145.06464	0.9
145.10106	7.3
147.08034	4.7
147.11667	14.3
149.09584	1.9
149.13164	1.4
157.10059	2.0
159.08070	0.8
159.11664	2.4
161.09618	3.0
161.13258	4.5
163.11101	1.6
165.09059	1.2
165.12706	0.6
169.10027	1.0
171.10231	0.8
171.11665	10.5
173.13203	0.8
175.11157	1.7
177.12663	0.8
179.14267	0.5
181.10077	0.6
184.07320	1.1
185.13235	0.9
189.11159	3.0
189.12708	4.7
193.12152	0.9
195.11678	0.6
195.13754	0.6
205.12209	0.9
207.13780	10.5
217.15826	0.5
223.13269	11.3
225.14796	0.7
227.12720	5.0
237.16576	0.4
245.18855	0.5
249.14928	3.4
255.17377	0.9
262.15704	0.5
263.16388	0.8
267.15808	1.6
273.18439	12.7
275.20120	0.8
279.15958	0.7
281.17444	37.2
282.17798	0.6
286.30991	1.0
291.19507	66.7
292.19858	1.5
306.34232	0.5
309.20694	0.6
347.22141	2.1
365.23184	28.4
366.23392	0.6
451.27081	0.9
473.28915	2.9
491.30045	0.7
553.35297	3.5
571.36224	100.0
572.36584	4.4
607.43512	0.7
609.44635	1.1
657.20410	0.5
769.47247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
57.03418	3.1
65.03905	1.7
67.01821	1.2
67.05484	1.4
68.89848	1.1
68.99774	6.1
69.03419	11.2
69.79882	2.6
69.80303	4.1
71.01301	1.0
71.04980	12.4
71.68101	1.2
79.05476	2.1
83.04977	1.2
85.02894	17.3
91.05458	2.8
93.03381	1.5
93.07021	2.8
95.04939	4.1
97.02874	2.0
99.04440	2.7
99.46026	1.2
105.07085	1.4
107.04906	4.7
109.02863	1.7
111.00796	2.1
111.04414	17.8
115.05440	1.2
121.02813	2.3
121.06480	4.4
123.04408	3.6
127.03883	3.6
129.05449	1.4
131.04930	2.7
133.06451	2.5
135.04404	21.7
137.02332	1.2
139.03885	43.6
143.04877	1.2
147.04388	4.9
149.05902	6.3
151.03880	25.2
153.01807	100.0
157.06471	1.4
159.04431	3.4
161.05966	4.6
163.03883	56.4
165.05412	2.5
171.02968	2.2
171.04398	5.1
173.05997	3.4
173.12985	1.0
175.03865	9.2
175.07576	1.7
176.04610	2.7
177.05446	25.6
177.06926	0.9
179.03387	6.8
179.06989	1.4
181.01303	4.4
181.04936	30.8
183.04402	2.5
185.05923	3.1
187.03870	28.8
189.05438	16.6
191.03374	2.6
193.04945	1.6
195.02814	2.6
199.03851	10.2
200.04642	4.6
201.05449	11.1
203.03482	1.2
203.06982	8.8
205.04942	48.7
207.02765	1.4
207.06421	2.2
211.03951	2.0
213.05367	5.8
215.03381	5.6
217.04962	6.9
219.02855	1.3
222.81923	1.1
223.03893	1.5
227.03395	6.5
227.06981	1.4
229.04939	21.0
231.02917	2.2
231.06477	25.2
233.04405	1.2
239.03375	3.2
241.04889	3.8
243.02826	2.2
244.03673	3.6
245.04405	16.2
249.07558	44.4
251.03323	2.4
253.05058	2.1
255.02910	10.9
255.06378	5.1
257.04367	11.9
259.02383	5.1
261.03879	8.5
262.04645	5.4
267.02866	2.9
267.05878	1.7
267.08615	28.2
268.08734	1.1
269.04428	2.2
271.02295	2.0
273.03891	8.6
273.07462	2.6
275.05386	4.9
275.37921	1.0
277.03333	8.8
279.02927	1.6
281.04398	3.2
283.02408	2.1
285.03946	6.0
285.09671	49.6
287.05438	3.4
289.03470	3.8
290.04202	1.6
291.05682	0.9
295.02310	1.9
297.04065	5.6
299.05243	1.4
301.03387	94.3
302.03711	2.8
303.04773	5.6
309.03787	2.0
313.03287	3.9
313.07343	1.1
315.04807	1.2
319.05774	2.2
323.01834	1.2
323.05246	1.8
325.03476	5.0
327.04993	2.5
329.02756	5.6
335.05432	2.8
339.04913	1.6
341.02985	2.9
347.05438	6.6
349.03549	1.3
351.04987	2.2
353.02795	3.6
359.05493	1.7
363.05042	5.5
365.06293	1.4
375.04852	7.6
377.06470	1.7
379.04382	3.9
381.06161	1.9
391.04315	4.5
393.05853	2.7
403.04428	11.4
404.05048	1.7
409.05438	4.4
419.03781	1.9
421.05527	8.7
425.04852	1.6
427.06531	3.9
431.03848	2.9
437.04913	12.4
443.06216	7.4
449.04956	6.7
453.04434	1.2
455.06024	35.6
467.05945	9.5
479.06009	3.2
485.07117	44.5
495.05768	1.4
497.07208	2.6
527.07715	1.3
557.14343	1.1
589.10095	1.6
605.09113	17.1
617.09167	18.8
629.09131	18.2
647.09888	1.8
671.10266	15.2
679.10541	1.5
697.11560	5.4
715.13098	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.0
57.03430	2.1
62.83916	1.2
64.93945	1.3
65.03957	2.1
65.39949	1.3
67.00739	1.4
67.01852	2.8
68.99772	7.3
69.03419	10.3
71.04996	10.9
71.63094	2.9
79.05498	1.3
83.04993	1.7
85.02886	16.8
91.05470	2.7
93.07020	1.9
95.04953	3.8
97.02904	2.4
99.04475	2.8
103.05459	2.2
107.04933	6.3
107.67670	1.3
109.02841	2.9
111.00774	1.4
111.04437	16.8
115.05410	1.7
121.02824	2.2
121.06474	2.9
123.04421	8.7
127.03905	2.3
129.05437	2.2
130.98270	1.4
131.04909	2.7
133.06506	1.8
135.04387	15.7
137.02272	1.9
137.05853	1.3
139.03885	50.7
143.04967	1.3
147.04390	5.6
149.05945	7.3
151.03880	20.5
153.01801	100.0
157.06525	1.8
159.04396	3.6
161.05957	3.9
163.02524	3.0
163.03885	54.2
165.01846	2.8
165.05435	4.3
167.67068	1.4
171.04431	2.4
173.05963	5.9
175.03854	8.5
175.07555	2.6
176.81416	1.5
177.05449	24.9
179.03290	6.8
181.01335	2.5
181.04915	26.6
183.02901	1.8
183.04382	2.0
185.05981	4.6
187.03871	27.0
189.05444	14.5
191.03352	2.6
193.04967	3.2
195.02850	3.6
198.48344	1.4
199.03888	12.6
200.04672	4.9
201.05449	9.0
203.03374	2.4
203.07056	7.0
205.04922	49.3
211.03857	3.2
213.05432	5.3
215.03401	7.0
216.04097	1.7
217.04909	6.9
224.28415	1.5
227.03404	8.2
228.03999	1.8
229.04950	24.5
231.02841	3.7
231.06471	26.9
239.03465	3.7
241.04941	4.3
243.02928	3.1
244.03650	3.1
245.04369	17.9
249.07538	39.6
251.03252	1.8
253.04919	2.3
255.02872	9.4
255.06488	4.3
256.03397	1.8
257.04391	9.4
259.02402	3.8
259.05978	1.6
261.03946	8.4
262.04697	3.7
267.08627	26.6
269.04358	3.4
273.03912	7.9
273.07581	3.7
275.05389	3.0
277.03415	5.0
277.90729	1.6
281.04388	2.1
283.02274	2.0
283.05817	1.6
285.04160	9.7
285.09668	44.8
287.05310	3.4
289.03571	2.7
293.04449	1.7
297.03851	7.3
299.05331	2.6
301.03381	93.4
303.04996	5.5
307.06012	1.5
313.03421	4.0
315.04892	2.1
319.05685	4.1
325.03473	4.1
327.05054	3.2
329.02939	4.9
329.17477	2.1
335.05240	1.9
337.03281	1.8
341.02982	3.0
347.05438	5.9
351.04953	2.0
353.02917	4.0
358.05453	1.4
363.05103	4.2
365.06705	1.7
375.04919	8.0
377.06836	1.9
379.04492	1.5
391.04349	2.4
393.05988	2.9
403.04282	12.4
405.05637	1.6
409.05676	3.4
419.03775	2.3
421.05524	8.5
427.06540	4.7
431.04001	3.9
437.04947	15.5
443.06076	9.8
449.04825	8.5
451.06726	1.7
455.06003	38.5
455.12012	2.8
456.06415	2.0
467.06052	7.9
469.07880	2.1
479.05927	4.0
485.07117	41.5
495.05484	1.8
497.07108	3.6
589.10071	2.1
605.09094	17.5
617.09027	18.8
629.09302	15.8
647.10382	1.9
671.10162	16.6
697.11353	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	769.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.4
55.05494	7.5
57.03429	2.5
57.07067	1.6
61.02909	2.4
67.05505	9.2
68.99790	1.7
69.03419	22.2
69.07059	10.2
69.58861	8.0
71.04980	3.0
73.02882	2.2
77.78861	1.1
79.05482	12.3
81.03406	13.0
81.07043	23.6
83.04961	2.0
83.08602	4.5
85.02895	26.1
85.03412	1.5
85.06526	2.2
87.00822	12.8
91.05467	15.1
93.07027	26.2
94.79423	1.1
95.04940	8.3
95.08594	32.1
97.02876	11.5
97.06521	3.8
97.10168	1.5
98.20683	1.4
99.04442	8.8
99.08074	4.5
102.34985	1.1
105.01849	8.5
105.07014	41.5
107.04935	1.7
107.08578	38.7
109.02858	12.5
109.06516	5.2
109.10133	16.2
111.04487	1.4
111.08083	1.5
115.05453	1.4
117.07006	7.4
119.08562	68.3
121.06487	5.4
121.10129	23.1
121.47131	1.4
123.08049	6.4
123.11694	3.8
125.05958	1.4
125.09663	1.5
127.03893	18.7
127.07555	1.2
128.06212	2.1
129.01761	2.1
129.06992	7.3
130.07768	2.4
131.08554	36.7
131.09502	2.6
133.10109	43.0
134.90070	1.3
135.08034	4.7
135.11656	12.8
137.09627	1.4
142.07727	4.0
143.08543	19.4
144.09285	2.7
145.04933	6.7
145.06416	2.2
145.10098	57.6
147.08032	7.3
147.11673	32.4
149.09587	4.1
149.13222	10.3
152.10938	1.1
153.09041	1.7
155.08524	5.5
156.09308	2.4
157.10103	21.8
158.10915	2.4
159.02849	4.4
159.08078	3.8
159.11673	37.6
161.09605	8.8
161.13237	25.2
163.07507	1.7
163.11143	4.1
163.14771	10.7
168.09364	1.4
169.10101	8.6
170.10922	3.6
171.11659	17.9
172.12445	2.1
173.09619	3.7
173.13251	34.1
175.11163	5.2
175.14780	27.6
177.12764	2.8
177.16383	7.7
179.08577	1.7
179.10764	1.3
179.14287	2.0
181.10158	2.5
182.10876	3.4
183.11682	11.8
184.07312	1.6
184.12485	1.6
185.13232	33.1
187.11176	2.9
187.14795	44.5
189.12730	27.4
189.14528	2.0
189.14856	1.8
189.16335	16.6
191.10548	1.8
191.14275	14.1
191.17928	4.6
195.11646	3.8
195.13548	1.8
197.13239	10.1
199.11116	2.0
199.14793	25.3
199.16557	1.8
201.12675	7.5
201.16345	60.0
203.14297	38.0
203.17911	24.8
205.15849	7.0
205.19511	1.7
207.13753	3.3
209.13206	3.9
211.14804	7.4
213.03856	3.3
213.12738	2.4
213.16348	13.0
215.14282	10.6
215.17903	4.3
217.15843	10.9
219.11746	2.7
219.13747	16.4
219.17317	6.8
221.13306	1.5
221.15279	20.0
223.14798	3.0
225.16370	3.3
227.14258	2.8
227.17941	3.3
229.15842	7.8
229.19574	2.4
231.04982	3.2
231.13802	2.2
231.17461	3.8
233.15288	6.0
235.16885	3.7
237.14667	6.8
239.17987	3.5
241.15912	2.1
241.19476	3.3
243.17526	2.0
243.21089	2.0
245.15288	4.5
247.14430	2.6
247.16893	31.1
249.14835	3.8
251.16241	1.6
253.19604	3.0
255.17471	1.1
259.16940	3.3
263.17975	2.2
267.21115	1.1
293.22794	1.3
295.20853	2.3
347.27203	1.7
353.24655	1.5
365.28174	1.9
373.28751	2.9
375.30539	2.4
385.28842	3.5
391.29852	10.4
393.27377	2.7
393.31882	2.7
403.29865	18.0
405.31439	6.8
409.31058	9.6
419.29175	4.9
421.30936	26.4
423.32690	7.0
431.29291	5.9
437.30472	26.2
439.32095	16.0
441.33667	3.4
449.30347	21.4
455.31537	36.2
456.31744	1.5
457.32990	4.0
467.31467	37.1
485.32538	100.0
486.32932	2.8
503.33566	22.5
521.34418	4.3
565.33771	1.2
733.37622	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	770.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.3
56.05008	1.2
57.03427	1.4
67.05504	0.7
68.05014	1.2
68.99786	1.4
69.03400	0.7
69.75801	5.0
70.06567	0.8
71.04984	7.7
74.00644	1.7
76.03968	0.8
77.07920	0.6
82.06577	4.3
83.04978	1.2
83.06093	10.5
84.04491	14.2
85.02903	8.3
85.03385	0.9
85.03574	0.7
85.04011	8.3
85.14219	0.6
92.01700	4.8
93.89259	0.7
93.93710	0.6
95.04962	7.4
96.04470	1.6
97.02855	1.2
98.06032	1.9
99.05524	2.2
100.03951	1.3
105.07060	0.7
107.06054	3.2
108.04467	2.1
108.86018	0.6
109.02872	2.3
109.07632	7.3
110.06034	6.8
111.00767	1.6
111.04416	2.5
112.02161	2.3
112.03948	7.4
112.07584	1.2
113.03482	2.6
114.05548	0.8
123.00773	2.2
123.04435	1.3
125.02355	0.7
126.05520	2.1
126.76891	0.7
127.03956	1.3
127.05000	1.6
129.05573	1.5
129.06575	15.8
130.04990	25.4
131.04485	6.6
135.04469	1.0
135.05470	1.3
136.03922	4.8
136.07570	0.9
137.02292	0.8
139.03886	2.4
140.01642	6.3
142.04950	1.1
145.06091	1.8
147.04411	0.8
148.07542	1.4
150.09171	1.1
153.01813	8.5
153.06569	9.8
155.08150	6.2
160.00658	0.9
163.03885	2.0
165.01825	0.7
168.01100	0.8
168.05226	1.0
168.99551	1.9
176.06979	1.2
177.03273	23.6
178.08589	2.8
179.03326	0.8
180.99486	1.0
181.06110	3.5
182.00308	1.2
183.02872	0.7
185.03729	2.6
185.05280	0.8
186.06367	1.8
187.05347	2.8
191.03288	0.7
192.04161	1.7
192.99532	1.1
193.03433	0.7
193.06117	1.1
195.01151	3.3
196.99001	2.8
199.07117	9.3
207.01186	1.4
208.99084	4.6
211.07091	1.1
213.08687	0.7
215.04883	1.0
219.01038	2.4
220.99004	1.1
222.07599	9.7
223.00555	5.5
231.04546	3.9
233.05844	1.1
235.00635	0.8
236.98505	8.7
240.08601	0.9
240.97891	2.1
243.04382	5.9
247.00584	2.3
251.00079	1.8
254.99565	6.7
257.04337	0.7
257.07581	3.5
259.02563	1.5
260.03128	2.5
273.03897	1.2
275.00049	4.1
277.03467	2.0
278.99429	4.1
285.03931	1.1
287.00037	1.0
288.02496	0.8
292.19376	0.7
293.01068	12.5
297.04156	0.9
301.03760	0.8
302.99628	1.9
304.00351	1.9
316.02069	3.2
317.02869	1.5
318.03619	1.9
319.04514	22.8
321.00592	100.0
322.00885	2.7
329.02997	8.7
329.44553	0.8
330.98907	1.8
333.00525	6.4
347.02090	6.1
349.00089	45.8
350.00543	1.2
351.01636	10.4
375.01639	11.1
392.04327	3.8
458.05362	5.5
478.04407	6.9
486.04651	2.6
495.06961	56.4
496.06982	2.0
549.08063	26.9
561.07977	10.1
590.10187	0.8
606.09503	1.9
624.11218	38.7
625.10992	2.1
699.40668	0.8
711.25757	0.7
716.13574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.2
55.05495	8.2
57.03437	6.3
57.07065	1.7
59.04984	1.3
61.02910	3.8
65.03935	1.5
67.05501	11.0
68.99775	2.2
69.03063	1.7
69.03420	25.1
69.07056	13.2
69.55337	7.1
71.04986	5.9
71.08610	0.8
73.02905	7.9
77.03906	1.1
79.05483	10.0
80.05004	1.1
81.03403	28.5
81.07044	29.7
83.01332	1.1
83.04977	2.7
83.08607	7.5
85.02892	58.3
85.06551	1.0
87.00817	25.8
87.04452	1.7
91.03944	2.3
91.05453	15.2
93.07028	31.0
95.04953	5.3
95.08590	50.9
97.02876	27.6
97.06500	7.1
97.10158	3.2
99.00823	0.8
99.04435	15.5
99.08072	2.7
105.01855	19.1
105.07015	49.6
107.08578	49.9
108.04446	4.7
108.09008	0.8
109.02866	23.4
109.06495	6.8
109.10139	26.8
111.08110	4.4
113.98191	0.7
115.03919	0.8
115.05441	1.3
117.01832	3.5
117.06997	7.4
119.08563	74.5
120.08881	1.3
121.06491	5.2
121.10124	37.2
123.04417	1.2
123.08030	5.6
123.11670	7.2
125.09617	5.8
126.05511	2.4
127.03895	43.8
128.06277	1.6
129.01826	3.4
129.06990	3.4
130.07768	1.5
131.08543	45.8
133.06520	1.2
133.10112	56.9
134.10481	1.1
134.47255	0.8
135.08070	4.6
135.11664	16.7
137.09592	4.3
137.13191	1.6
139.03865	1.1
139.07483	1.0
139.11171	1.1
141.01810	0.8
142.07770	3.1
143.08530	11.2
144.09300	2.8
145.04945	15.3
145.10098	62.1
146.10571	0.9
147.02895	2.5
147.08043	5.4
147.11658	37.6
149.09593	6.7
149.13245	15.7
151.07480	1.3
151.11137	1.9
151.14798	0.9
153.09119	1.7
155.08539	2.4
156.09343	2.7
157.10104	16.5
158.10872	3.5
159.02870	13.9
159.08060	1.1
159.11665	46.2
160.11966	0.9
161.09601	7.1
161.13229	28.5
162.13510	1.3
163.11157	7.6
163.14796	25.9
165.09099	1.1
165.12729	2.1
167.10667	2.8
169.10081	4.8
170.10870	3.6
171.11681	12.6
172.12366	1.4
173.04419	1.3
173.09769	2.1
173.13237	69.0
174.13673	1.3
175.11273	5.9
175.14798	40.2
176.15100	2.0
177.09120	1.0
177.12782	5.1
177.16357	18.9
179.10660	2.7
179.14305	1.6
181.10217	1.3
183.11650	7.1
184.12471	1.7
185.13229	23.0
185.14828	1.5
186.13811	1.8
187.14795	78.5
188.15178	2.4
189.12750	6.2
189.16348	24.5
191.14275	78.0
191.17886	11.2
192.14598	1.8
193.12277	3.3
193.15839	4.0
195.11795	1.4
197.13217	6.3
198.13965	1.1
199.14787	20.8
200.15321	0.9
201.12672	3.1
201.16348	100.0
202.16681	2.4
203.14301	34.1
203.17920	76.0
204.14699	1.1
204.18256	2.1
205.15839	23.7
205.19525	3.9
207.13686	1.7
207.17433	3.0
209.13295	1.7
211.14787	4.9
213.03888	5.1
213.12917	1.1
213.16330	16.4
215.14343	3.5
215.17915	13.5
217.15872	10.8
217.19502	3.5
219.13994	1.4
219.17409	12.7
221.15331	75.5
222.15744	1.3
223.14728	2.5
223.16937	5.5
225.16405	5.3
227.17932	5.5
229.15837	6.1
229.19409	5.2
230.06616	0.9
231.04950	12.2
231.13756	1.4
231.17444	6.8
231.21062	1.8
233.15329	2.5
233.19064	1.3
235.14813	1.6
235.16853	6.7
237.16388	1.3
239.16254	18.0
241.19550	4.7
243.17500	3.1
243.21107	2.4
245.15436	3.0
245.19012	2.0
245.22598	1.0
247.16899	51.3
248.07637	4.9
248.17278	1.7
249.06038	2.2
249.14935	3.0
249.18456	5.3
253.19479	2.2
255.17563	1.2
255.21002	1.9
257.22580	1.1
259.16949	2.9
261.14902	1.2
261.18405	4.2
265.17850	1.4
266.08664	5.7
267.21124	3.0
269.19025	0.9
269.22632	3.7
273.18796	1.1
275.20004	1.3
279.20877	1.1
281.22617	1.6
289.06982	1.0
291.21024	1.3
295.24130	1.4
321.25781	1.0
325.21625	1.0
345.99438	0.9
347.27264	1.9
365.28375	1.4
375.30457	3.4
377.31964	2.5
383.29303	0.9
387.30453	7.4
389.31958	3.9
393.31662	7.4
395.33157	4.0
405.31454	36.9
406.31644	2.2
407.32993	11.0
411.33221	4.1
415.29984	1.2
421.30951	6.3
423.32523	87.7
424.32843	5.2
425.28864	1.8
425.34131	28.0
426.34351	1.5
429.30023	1.2
433.30957	12.6
439.32059	12.7
440.31421	1.1
441.33582	35.7
441.39700	1.8
442.33832	2.1
443.35364	4.9
451.32019	46.0
452.32364	2.2
457.33041	3.2
459.34415	2.8
469.33063	56.8
470.33658	1.9
487.34100	35.4
488.34534	1.5
504.34012	1.1
505.35074	10.3
506.35153	1.3
653.37396	1.0
699.37140	2.4
717.38184	2.3
756.99811	1.0
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
55.01865	5.9
55.05253	1.9
55.05504	25.0
57.03217	1.0
57.03432	10.4
57.07050	3.0
61.02918	2.2
65.03923	5.2
67.05495	79.7
68.05821	1.7
69.03416	6.8
69.07057	27.2
69.70337	4.8
69.70760	2.4
71.04974	4.1
71.08624	1.5
73.02897	1.3
73.06548	3.1
77.03898	1.0
79.05482	89.1
80.05811	2.0
81.03404	13.6
81.07047	72.7
82.07392	2.4
83.04974	19.6
83.08610	12.0
85.02888	4.2
85.06541	5.0
89.31537	1.2
91.05468	85.6
92.05784	2.5
93.07030	100.0
94.07420	1.9
95.04956	25.9
95.08594	40.8
96.08938	2.5
97.02882	3.8
97.06516	14.7
97.10136	5.2
98.21261	3.5
99.04443	2.1
99.08097	4.3
103.05443	2.5
105.04485	3.1
105.07015	71.3
106.07331	3.2
107.04931	11.7
107.08582	33.8
108.08923	1.5
109.06519	9.6
109.10134	11.7
110.10513	1.5
111.04458	1.7
111.08057	6.0
113.09623	1.5
115.05433	3.0
117.07007	19.9
119.08563	43.5
120.08898	1.3
121.06490	5.8
121.09287	1.9
121.10118	17.9
123.04385	1.4
123.08080	7.8
123.11686	3.3
125.09585	2.9
127.03899	2.9
127.07520	1.8
128.06204	3.7
129.05460	2.9
129.06995	20.5
131.08545	19.7
132.09027	1.0
133.06519	1.6
133.10112	33.6
134.10439	2.5
135.08057	5.3
135.11656	11.9
135.79559	1.1
137.09583	2.2
139.07515	1.2
141.06938	2.1
142.07745	1.5
143.08534	13.7
145.04938	1.3
145.06532	1.9
145.10107	21.7
147.08022	4.3
147.11665	50.5
148.11987	2.1
149.09616	8.0
149.13223	10.4
151.11179	5.2
151.21887	1.0
152.11485	1.3
155.08551	2.4
157.10110	4.9
159.11670	16.8
161.09592	6.5
161.13246	24.1
163.11153	6.5
169.10104	3.7
171.11679	33.0
173.04433	2.1
173.13223	7.4
175.11224	1.0
175.14810	6.1
176.18579	0.9
177.12682	5.0
179.08543	1.0
179.14265	2.6
181.10158	1.9
183.11636	3.4
184.07268	1.5
185.13260	5.1
187.14890	1.4
189.11220	1.9
189.12718	10.9
191.14189	1.3
195.11710	2.7
195.13751	4.1
197.13225	3.0
199.14771	3.2
203.14270	1.3
205.12154	1.8
207.13792	28.7
208.14145	1.6
211.14856	1.7
213.16457	1.4
214.32458	1.0
223.14764	1.3
225.14781	3.2
227.12737	3.3
229.19365	1.3
231.21014	1.7
239.17934	2.5
241.19437	8.8
253.14317	4.7
254.14714	3.8
257.18958	7.0
257.68103	1.2
259.20526	23.5
269.17401	11.8
273.18378	1.8
274.18768	1.6
275.20047	13.3
279.15753	8.6
281.17438	64.8
282.17734	3.1
283.18164	1.4
291.19547	3.3
292.19800	2.2
293.20905	5.3
313.21686	1.4
315.23178	2.2
328.42627	1.0
331.22610	1.5
333.24243	16.6
349.23740	7.9
365.23752	1.4
366.23431	1.6
447.32480	2.4
457.29108	1.5
465.33505	2.3
475.30441	47.6
476.30774	1.4
478.28888	2.0
479.28796	2.6
529.38470	1.2
537.35876	1.7
539.37323	33.1
555.36700	9.3
557.38342	10.0
572.36609	3.1
573.37085	12.2
608.43744	1.7
611.46210	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34885	0.5
55.01865	4.7
55.05256	1.1
55.05505	16.0
57.03426	6.4
57.07076	0.8
57.48482	0.6
61.02912	1.7
65.03926	1.7
67.05496	43.9
68.05852	0.6
69.03427	4.0
69.07063	14.7
71.01326	0.8
71.04975	2.9
71.61345	1.0
73.02872	0.9
77.03887	0.7
79.05483	52.3
81.03407	8.4
81.07047	47.1
83.04967	10.1
83.08607	10.0
85.02899	4.6
85.06519	2.6
86.09705	0.7
91.03951	1.5
91.05470	40.3
93.07031	58.4
94.07366	0.8
95.01339	0.6
95.04961	14.4
95.08594	24.6
97.02873	4.7
97.06520	9.0
97.10162	4.2
99.04439	1.0
99.08077	1.3
103.05451	0.6
105.04509	1.2
105.07018	30.3
107.04953	6.6
107.08581	22.0
109.02847	1.3
109.06503	5.5
109.10139	6.7
111.04447	0.8
111.08053	3.5
113.09649	0.8
115.05408	0.8
117.06999	11.6
119.08567	21.9
121.06455	3.3
121.10125	10.1
123.08060	4.2
123.11692	1.9
125.00063	0.6
125.09599	1.8
127.03908	2.3
127.07520	0.7
128.06203	1.2
129.06995	10.2
130.07693	0.8
131.08546	9.1
133.03433	1.7
133.06459	1.1
133.10117	14.4
134.10442	0.9
135.08043	2.4
135.11667	8.1
137.09598	1.2
137.13150	0.8
141.06981	1.1
143.08540	6.3
145.06473	1.0
145.10109	10.6
147.07996	1.8
147.11668	23.7
148.04723	0.8
148.11906	0.6
149.09613	5.5
149.13240	6.5
151.04544	0.9
151.11137	1.8
156.09270	0.8
157.10132	1.7
159.11658	6.5
161.02972	1.4
161.09607	2.3
161.13240	9.3
163.11174	3.8
165.12732	0.8
169.10089	1.3
171.11670	13.4
173.04442	1.8
173.09662	0.8
173.13269	2.9
175.04564	0.9
175.11115	0.8
177.12735	2.1
179.14337	1.2
183.11729	2.1
184.07359	1.9
185.13165	1.0
187.14810	0.7
189.11186	0.9
189.12662	5.8
191.14433	0.7
195.11909	0.6
195.13771	1.6
207.13779	16.3
211.14687	0.6
218.27110	0.7
225.14804	1.2
227.12746	2.0
239.17918	1.7
247.20467	1.0
251.16194	0.8
253.14316	1.4
255.15863	4.5
257.19006	4.1
261.21948	0.8
267.15839	1.1
269.15067	1.1
269.17468	13.8
269.65085	1.5
275.20016	12.7
276.20419	0.7
278.65567	0.8
279.15689	0.8
281.17432	42.1
283.15393	0.9
289.66110	1.2
301.20175	2.8
302.20282	1.4
319.21051	0.8
342.23019	0.8
347.22931	0.7
349.17194	0.8
349.23682	9.4
362.69904	0.6
367.24927	1.7
413.21930	0.9
434.63550	0.7
435.27380	2.1
445.27921	1.2
445.77908	4.1
446.28119	1.2
451.26675	1.6
457.29465	1.4
461.28928	18.2
462.29224	1.0
475.30493	100.0
476.30688	3.5
526.30493	3.1
526.80786	9.6
527.30615	3.9
527.80878	0.8
534.29303	1.5
534.79852	1.4
537.35657	1.1
538.29254	0.7
539.30322	0.6
547.44495	0.6
553.26172	0.7
555.36719	22.6
556.36938	1.1
573.38013	6.4
619.34619	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.8
55.05501	23.4
56.74173	1.0
57.03424	7.1
57.07070	1.4
59.04995	1.3
59.57395	1.0
61.02930	1.6
63.49162	1.2
65.03932	1.9
67.05498	51.2
69.03418	2.5
69.07061	20.0
71.04981	2.9
71.34997	1.1
71.35335	2.2
73.02917	2.2
73.06568	1.3
77.03954	2.0
79.05482	55.4
80.05819	1.3
81.03405	9.0
81.07047	82.1
83.04971	11.2
83.08619	14.8
83.78979	1.2
85.02894	3.6
85.06519	4.9
86.09688	1.2
91.05470	50.0
92.05798	1.2
93.07034	54.6
95.04958	19.6
95.08596	31.7
97.02845	1.7
97.06518	9.8
97.10138	6.2
99.08089	3.0
104.10691	1.3
105.04523	1.2
105.07021	42.1
107.04958	12.6
107.08589	23.7
109.06509	24.8
109.10149	10.9
111.08057	4.1
116.94410	0.9
117.06992	12.4
119.08562	33.4
121.06513	5.7
121.10136	13.5
123.08046	8.1
123.11684	5.1
125.09611	3.2
125.22662	1.0
128.06206	2.1
129.06981	13.2
131.08565	15.0
133.06491	2.5
133.10109	20.0
135.08052	4.1
135.11679	6.0
137.05949	3.1
137.09593	2.8
141.07039	1.6
142.07748	1.7
143.08524	9.9
145.10097	15.3
147.08018	4.1
147.11670	34.7
149.09572	5.9
149.13245	6.7
151.07474	1.6
151.11177	3.3
155.08493	1.8
157.10144	3.6
159.11635	8.6
161.09612	3.0
161.13231	11.6
163.11108	5.6
163.14786	2.0
164.18600	1.4
165.12758	3.2
169.10074	3.2
171.11676	16.4
173.09599	2.3
173.11797	2.4
173.13271	4.4
175.11185	2.4
177.12772	3.0
183.11676	3.1
184.07349	4.4
185.13269	3.6
187.11191	1.5
189.12688	7.2
193.04927	1.8
193.12305	2.0
197.13266	1.6
199.14764	1.5
207.13788	9.8
223.13232	4.2
227.12704	1.1
229.14354	2.5
229.19536	1.6
239.18143	1.3
241.19522	3.3
247.20576	2.1
257.19025	3.3
259.20511	5.5
275.20035	36.6
281.17441	59.3
293.21091	4.9
297.17087	4.0
333.24295	3.1
339.74536	1.2
349.23697	21.9
367.24734	12.8
429.29819	3.1
537.35608	3.8
555.36737	100.0
556.36230	2.2
573.37805	61.4
574.37842	2.4
608.44006	1.5
611.43323	1.7
644.67065	1.2
714.18707	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
55.05254	1.5
55.05505	20.8
57.03432	10.2
57.07074	1.9
61.02905	1.2
65.03934	3.2
65.87568	0.9
67.05497	62.0
69.03421	5.1
69.07061	26.1
71.04988	4.1
72.63345	0.8
73.02883	1.0
73.06524	1.3
79.05483	74.0
81.03409	14.6
81.07047	66.1
83.04976	15.8
83.08611	13.3
85.02914	2.7
85.06525	4.0
91.05470	60.2
93.07032	74.2
94.07398	1.2
95.04957	22.1
95.08597	33.1
97.02869	2.5
97.06519	16.2
97.07125	1.3
97.10163	5.8
97.10726	1.0
99.04450	1.1
99.08070	0.9
105.04523	1.5
105.07018	49.8
107.04948	11.7
107.08583	33.3
109.02830	1.4
109.06501	8.4
109.10140	9.2
111.08075	3.7
113.09668	1.0
115.05465	1.9
117.07005	14.7
119.08567	30.5
121.06504	5.1
121.10126	11.7
123.08051	5.5
123.11697	2.0
125.09614	4.1
127.03914	2.1
127.07556	1.6
128.06212	2.3
129.07007	14.4
130.07759	1.4
131.08551	14.2
133.06476	1.7
133.10114	19.2
133.11053	1.3
135.08047	3.2
135.11668	11.6
137.09624	3.3
141.06995	1.5
142.07744	2.1
143.08553	9.1
145.06471	2.3
145.10112	16.8
147.08034	2.5
147.11670	31.1
149.09621	10.0
149.13269	6.4
151.11110	1.5
155.08513	1.9
157.10136	2.4
159.08119	1.2
159.11678	9.8
161.09598	3.6
161.13239	11.0
163.11180	7.9
165.12730	1.0
169.10135	2.8
171.10249	1.1
171.11661	23.2
173.04390	2.5
173.09668	1.2
173.13306	3.8
175.11143	1.1
177.12759	3.0
179.14331	2.1
183.11749	1.1
185.13193	1.0
187.11104	1.2
187.14893	1.1
189.11218	1.6
189.12724	8.0
195.13867	2.4
207.13783	20.6
225.14819	2.4
227.12775	7.3
229.19569	2.2
239.17972	3.9
247.20644	1.4
255.15843	6.8
257.19006	8.3
263.16357	1.3
267.15900	1.7
269.17410	11.3
275.20050	26.2
279.15936	1.4
281.17441	55.3
293.21140	2.3
331.22537	1.8
349.23679	17.2
367.25061	1.8
377.23282	0.9
435.27298	3.0
451.26617	2.9
457.29578	1.8
459.30780	1.5
461.28903	26.5
475.30499	100.0
476.30768	3.3
515.34039	1.5
537.35779	2.3
539.36664	1.0
555.36743	41.8
556.36798	1.9
573.37878	8.0
595.31323	0.9
619.34503	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	770.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.4
55.05507	25.3
57.03440	11.4
57.07075	2.9
59.04995	1.5
61.02916	2.2
65.03942	3.0
67.05499	70.5
69.03420	5.6
69.07061	21.6
71.01336	1.2
71.04988	5.3
71.63281	1.5
71.63664	1.5
73.02911	1.6
73.06541	1.5
77.03947	2.1
79.05488	79.8
81.03412	13.6
81.07050	79.2
81.07560	1.1
82.07397	1.4
83.04981	15.7
83.08616	17.4
85.02902	5.5
85.06532	5.8
90.69962	1.2
91.05476	74.7
93.07037	87.9
94.07379	1.4
95.04961	29.9
95.08598	35.4
97.02876	3.6
97.06519	15.8
97.10168	9.5
99.04446	1.7
99.08105	3.9
103.05453	2.1
104.69980	1.0
105.07024	58.9
106.07333	2.0
107.04950	10.7
107.08590	39.2
109.02869	1.8
109.06527	10.1
109.10133	12.4
111.04421	2.5
111.08092	5.2
115.05436	2.3
117.07008	17.3
119.04950	2.1
119.08569	44.3
121.06504	3.3
121.10117	15.8
123.08052	5.7
123.11694	4.1
125.09622	4.9
127.03925	2.8
128.06226	3.3
129.06998	16.7
131.08556	19.8
133.06514	2.0
133.10112	26.7
133.11049	1.7
135.08066	4.2
135.11682	12.5
137.09619	2.4
141.07045	2.4
141.09143	1.5
142.07643	1.2
143.08536	12.3
145.06506	1.7
145.10121	23.2
146.10391	1.3
146.19316	1.1
147.04401	6.4
147.08072	4.4
147.11667	38.5
148.04727	4.3
149.04991	1.9
149.09610	8.5
149.13246	7.7
151.11200	4.0
155.08589	2.9
156.09251	1.5
157.10149	4.7
159.11674	12.9
161.09619	5.4
161.13246	14.0
163.11205	7.6
165.09137	1.6
165.12711	1.3
169.10121	4.7
171.11676	29.9
173.04466	1.4
173.09744	1.9
173.13220	5.7
175.11266	1.5
175.14722	1.3
177.12712	2.1
179.14325	1.6
183.11717	3.3
185.13272	2.5
187.14903	2.5
189.11252	2.0
189.12738	9.0
193.12315	1.2
195.13840	2.9
197.13231	1.6
207.13779	29.1
217.15889	4.1
225.14883	3.2
227.12810	9.8
229.19522	2.7
235.16920	1.4
239.17982	4.1
247.20506	2.3
253.14369	1.5
255.15814	9.2
257.18951	13.2
259.20590	2.6
267.15863	6.0
269.17468	18.4
273.18216	1.6
275.20056	39.9
279.15820	1.7
281.17474	80.2
282.17804	1.7
283.15399	1.5
291.19562	3.1
293.21201	4.5
293.69763	1.3
309.20438	1.6
331.22614	3.8
349.23740	21.1
367.24771	4.3
435.27539	2.0
451.26978	1.9
451.87479	1.6
461.22391	2.3
461.28955	41.3
462.29321	1.7
475.30527	100.0
476.30804	2.9
491.30429	1.5
497.32526	4.4
515.33893	2.5
527.37408	1.5
537.36011	6.6
541.35455	6.2
543.37030	1.7
555.36853	56.8
556.36945	1.5
573.38025	12.3
608.43884	7.2
770.48779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.4
55.05426	8.8
55.05726	1.5
57.03349	4.1
57.03653	0.8
57.06990	1.9
57.07294	0.5
59.04938	0.6
61.02836	12.3
61.03184	1.8
62.07675	0.2
65.03838	1.0
67.05408	17.7
69.03329	6.7
69.03742	0.7
69.06969	9.2
69.07385	1.0
69.44347	2.2
71.01260	1.0
71.04893	1.6
71.08549	0.5
73.02814	7.8
73.03263	0.8
73.06486	0.3
77.03844	0.4
79.05387	12.6
79.05883	1.1
81.03310	3.3
81.06950	18.7
81.07474	1.6
83.04874	1.1
83.08515	5.1
83.09040	0.4
85.02795	12.0
85.03347	0.8
85.06430	1.1
87.04410	0.5
87.04869	0.2
91.03843	6.3
91.05465	11.9
91.05980	0.8
93.06930	14.0
93.07568	1.0
95.04848	2.8
95.08592	15.9
95.09143	1.0
95.47240	0.3
97.02879	11.4
97.03462	0.6
97.06499	1.7
97.10151	2.8
99.04326	1.4
99.08022	0.4
101.02361	2.4
103.05392	0.4
105.04416	0.2
105.07018	11.4
105.07658	0.6
107.04836	0.8
107.08579	10.1
109.02756	1.2
109.06508	1.4
109.10140	7.4
109.10815	0.3
111.08089	1.2
113.09570	0.3
115.03812	1.0
115.05416	1.2
116.06153	0.3
117.07005	7.2
119.08566	11.7
119.09346	0.6
121.06400	0.5
121.10136	6.1
121.42391	0.3
123.07932	0.9
123.11686	1.7
125.09592	1.4
127.03901	2.3
128.06197	2.3
129.05338	0.7
129.06985	8.6
130.07710	0.4
131.08554	10.2
133.10114	7.8
135.07932	0.8
135.11681	3.8
137.09528	0.6
137.13132	0.9
141.06976	3.9
142.07776	2.6
143.08542	10.9
144.09151	0.8
145.04832	0.4
145.06291	0.3
145.10098	10.2
147.11658	4.8
149.09531	0.6
149.13255	2.0
151.11032	0.5
151.14784	0.4
153.07010	1.3
153.08948	0.3
154.07751	1.4
155.08528	9.1
156.09300	1.3
157.10109	11.6
158.10741	0.5
159.11674	9.2
160.74797	0.3
161.13237	3.0
163.11096	0.5
163.14659	0.8
165.06880	1.1
166.07562	0.6
167.08554	4.5
168.09312	1.5
169.10106	12.8
170.10670	0.8
171.11661	9.9
172.12312	0.3
173.09557	0.4
173.13260	5.1
173.14690	0.6
175.11177	0.4
175.14763	1.9
177.16357	0.4
178.07663	0.4
179.08498	1.9
180.09233	0.4
181.10100	6.3
182.10771	1.1
183.11667	10.9
184.07236	0.4
184.12347	0.6
185.13222	7.6
186.13840	0.4
187.14809	3.2
189.12593	0.5
189.16269	1.0
191.08347	0.4
192.09142	0.3
193.10115	2.7
194.10669	0.7
195.11674	6.9
196.12331	0.6
197.13242	8.6
198.13713	0.3
199.11160	0.4
199.14795	4.5
201.16333	1.3
203.14073	0.3
203.17865	0.6
205.10008	0.6
206.10965	0.4
207.11696	3.0
208.12341	0.8
208.47899	0.3
209.13240	6.7
209.15216	0.3
210.13853	0.3
211.11270	0.3
211.13089	0.4
211.14780	5.2
212.15376	0.4
213.12798	0.4
213.14911	0.4
213.16385	3.1
215.17767	0.6
219.11583	1.2
221.13211	2.7
223.14804	4.3
225.16353	4.1
226.16969	0.4
227.14209	0.4
227.15967	0.3
227.18079	2.0
229.19373	0.5
231.11462	0.4
233.13286	1.2
234.13828	0.4
235.14772	2.7
236.15282	0.3
237.16350	2.7
239.17921	2.0
241.19798	1.4
245.13058	0.4
247.14738	0.7
248.15132	0.3
249.16202	1.1
251.17952	1.5
253.19379	1.0
255.17174	0.4
255.21243	0.3
257.18823	0.4
259.20398	0.5
259.73785	0.3
261.16272	0.4
263.17941	1.4
265.19626	1.2
267.20935	0.8
269.18802	0.6
269.22861	0.3
271.20419	0.4
273.21802	0.4
275.17529	0.4
275.20224	0.5
277.19299	0.5
279.20929	0.9
281.18799	0.5
281.22705	0.3
283.20474	0.6
285.18427	0.3
285.21875	0.7
291.20892	0.4
293.18753	0.4
293.22449	0.5
295.20413	0.8
297.21915	0.6
301.21783	0.4
307.20370	0.6
309.21918	0.8
311.23605	0.8
313.21423	0.5
313.24811	0.4
315.23138	0.5
321.22092	0.8
323.23520	0.8
325.21429	0.4
325.25131	0.7
327.23059	0.4
335.23444	0.7
337.25204	1.6
339.22852	0.7
339.26727	0.7
341.24655	0.6
349.25024	0.9
351.26703	1.4
353.24673	0.7
353.28525	0.4
355.26379	0.4
363.26630	1.0
365.28235	1.1
367.26111	0.6
377.28256	0.7
379.25851	0.4
379.30002	0.6
381.27795	0.7
383.29391	0.3
391.29797	0.6
395.29266	0.5
403.29364	0.3
405.31436	0.4
407.29221	0.8
409.31055	0.6
417.31171	0.5
421.30841	1.1
423.32462	0.4
433.30853	0.4
439.31931	0.4
447.32327	1.1
449.34280	0.5
461.34064	0.4
463.35715	0.3
465.33194	0.4
467.35571	0.3
473.32913	0.5
475.34344	0.7
483.34802	0.3
499.33414	0.5
499.39444	0.9
501.35529	0.8
513.35437	0.5
515.37579	1.1
517.40442	5.1
521.36316	0.3
523.38098	0.5
525.35364	0.4
527.37292	0.8
529.39612	0.4
535.41522	2.7
539.37146	2.0
540.37909	0.3
541.38885	1.1
545.38312	0.6
553.39307	0.7
573.42712	0.8
581.42212	0.4
589.42133	0.3
591.44031	7.8
593.45807	0.3
607.43445	1.9
609.45044	100.0
610.45447	2.7
611.46722	1.0
619.43604	0.4
621.44855	1.0
625.43604	0.4
633.44476	0.5
645.44934	0.3
651.46124	0.8
675.45850	0.6
693.46747	0.3
699.46246	0.7
717.47034	0.8
735.47815	1.3
753.49713	2.0
771.50299	22.3
772.50763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	1.5
55.05431	9.7
55.05728	1.5
57.03357	3.8
57.03658	0.6
57.06990	1.4
61.02842	13.6
61.03187	1.6
65.03867	0.8
67.05414	17.1
67.05811	1.9
69.03339	7.0
69.03751	0.7
69.06976	8.7
71.01281	1.1
71.04892	1.6
71.08563	0.6
73.02823	6.2
73.31128	0.5
75.61455	0.4
77.03825	0.4
79.05393	11.8
79.05889	0.8
81.03400	3.5
81.06956	18.5
81.07485	1.3
83.04963	1.9
83.08601	5.8
85.02804	9.8
85.03358	0.7
85.06445	1.2
87.04395	0.6
89.21810	0.4
91.03851	6.7
91.05470	12.0
93.07030	15.2
93.07576	0.7
95.04953	2.8
95.08594	16.9
95.09138	1.1
97.02882	9.8
97.06515	2.0
97.10163	2.8
99.04346	1.5
99.08006	0.7
101.02373	2.3
103.03870	0.4
103.05421	0.4
105.07017	12.2
105.13322	0.5
107.04832	1.4
107.08581	10.0
109.02745	1.3
109.06397	1.4
109.10146	6.3
111.04382	0.4
111.08052	0.7
115.03815	0.9
115.05341	1.3
116.06097	0.3
117.07009	6.8
119.08564	11.8
120.09890	0.4
121.06438	0.9
121.10138	6.0
123.08032	0.9
123.11693	1.8
125.09509	1.2
127.03906	2.8
128.06172	1.8
129.05434	0.4
129.06987	8.1
130.07692	0.6
131.08549	10.1
133.10107	8.3
135.07916	1.0
135.11662	4.7
137.09546	0.5
137.13116	0.8
139.11040	0.5
141.06999	3.9
142.07646	1.5
143.08542	11.4
144.09235	0.6
145.04903	0.9
145.06366	0.5
145.10107	11.0
147.07988	0.5
147.11649	4.6
149.09518	0.5
149.13196	1.9
153.06885	1.1
154.07643	0.9
155.08531	9.6
156.09190	1.3
157.10121	11.7
159.11685	7.4
161.13232	3.3
163.11021	0.8
163.14742	0.9
165.06938	0.9
166.07663	0.9
167.08545	5.2
168.09206	1.5
169.10103	11.6
170.10751	0.7
171.11665	10.0
172.12297	0.4
173.04465	0.5
173.09460	0.5
173.13248	4.6
175.11047	0.5
175.14793	1.9
175.58307	0.4
176.63000	0.4
179.08398	1.8
180.09270	0.7
181.08708	0.5
181.10110	6.5
182.10899	0.8
183.11664	11.7
185.13254	6.4
187.14836	3.1
189.16214	1.2
193.10112	2.4
195.10196	0.5
195.11688	6.7
196.12398	0.7
197.13231	8.6
198.13686	0.7
199.09566	0.7
199.14836	4.4
201.12651	0.6
201.16287	1.2
203.17792	0.5
205.10103	0.9
206.10732	0.6
207.11682	3.1
209.13234	6.8
211.11293	0.5
211.13098	0.4
211.14810	6.5
213.14546	0.4
213.16364	3.0
215.17906	0.9
219.11598	1.1
221.13231	3.4
223.14798	4.8
225.16359	3.1
227.18134	2.0
231.20929	0.4
233.13142	1.4
235.14864	1.8
237.16367	3.1
239.17915	2.2
241.19560	0.7
247.14699	1.1
249.16200	1.2
249.18513	0.5
251.17860	1.6
253.15645	0.6
253.19402	1.2
255.17409	0.4
255.21172	0.5
257.18948	0.5
259.14557	0.6
259.20395	0.4
261.16208	0.7
261.21973	0.5
263.17825	0.7
265.19333	1.5
267.21112	0.5
275.17801	0.9
277.19345	0.6
279.20905	0.6
281.22220	0.5
283.20264	0.7
289.19452	0.5
293.22467	0.5
295.20221	0.6
297.18567	0.7
297.21927	0.5
307.20398	0.5
309.18222	0.4
309.21967	0.9
311.23517	0.7
321.21936	0.6
323.23438	1.2
325.21527	0.5
325.25238	0.6
337.25146	1.6
339.23077	0.4
339.26715	0.5
341.24533	0.7
349.24896	0.8
351.22968	0.5
351.26727	1.3
363.26614	0.7
365.24481	0.6
365.28415	1.0
367.30157	0.4
377.28259	0.7
379.29996	0.8
381.27377	0.6
395.29483	0.5
409.30923	0.9
421.30670	0.7
447.31992	1.0
449.34369	0.5
461.33667	0.6
473.32910	0.5
487.34253	0.6
499.39539	0.7
501.35562	0.9
503.35724	0.5
513.35846	1.0
515.38043	1.1
517.40491	5.5
525.35620	0.6
527.37555	0.9
535.41498	2.9
539.37415	2.1
539.44446	0.4
541.38666	1.5
545.38635	0.4
553.39056	0.6
567.40094	0.7
581.42169	0.6
591.43939	6.8
607.43500	2.6
609.45044	100.0
610.45367	2.3
619.43732	0.5
621.45166	1.8
633.44775	0.8
651.46118	1.5
699.45618	1.1
717.47083	1.3
735.48462	2.1
753.48956	1.9
771.50281	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.0
55.05508	24.5
56.67801	0.5
57.03181	0.7
57.03434	11.8
57.07063	0.9
59.04990	1.8
61.02906	2.8
65.03924	1.8
66.46202	0.6
67.05498	35.8
68.05799	0.8
69.03425	9.9
69.07063	28.5
71.04986	5.5
71.63525	0.9
73.02914	1.5
73.89754	0.6
79.05488	33.8
81.03411	40.1
81.07051	38.2
83.01324	1.2
83.03625	0.7
83.04976	14.1
83.08612	23.1
83.23077	0.5
85.02425	1.1
85.02903	15.1
85.06528	2.4
91.05473	35.0
93.07037	29.3
95.01320	0.9
95.04960	21.2
95.08596	19.5
97.02882	12.5
97.06538	6.0
97.10162	15.5
99.04441	1.2
99.08051	1.7
103.05436	1.0
105.03338	0.7
105.04515	0.6
105.07021	27.3
107.04948	11.4
107.08585	19.6
109.02821	1.1
109.06494	6.0
109.10149	9.3
111.04446	2.9
111.08082	7.6
113.05968	1.8
115.05425	2.5
117.07013	9.0
119.04900	2.4
119.08567	21.8
121.06478	5.0
121.10135	11.6
123.04458	0.7
123.08060	6.7
123.11663	1.9
125.09612	9.9
127.03900	1.1
128.06215	2.0
129.07002	8.6
129.75032	0.6
130.07747	1.6
131.04881	0.7
131.08553	14.7
133.06493	4.8
133.10121	14.1
134.07254	1.1
135.08049	4.2
135.11673	5.6
137.09601	2.5
142.07742	2.5
143.08543	4.1
145.06502	0.9
145.10115	10.3
147.08040	8.1
147.11674	10.7
149.09618	6.0
149.13268	2.9
151.11165	1.2
153.09116	1.2
153.12691	0.8
155.08546	1.4
157.10114	10.5
159.08083	1.5
159.11688	4.2
161.09608	3.0
161.13326	0.9
162.10371	1.3
163.11153	6.2
165.09067	1.2
165.12761	1.9
169.10086	0.9
169.12228	0.6
171.11702	2.2
173.09622	1.6
173.13252	2.4
175.11179	9.8
177.12686	1.5
181.12215	0.8
181.57713	0.7
183.11740	0.9
184.07301	0.8
185.13248	1.0
189.11249	4.7
189.12738	1.0
189.63617	0.7
193.12227	24.9
195.13695	1.5
205.12213	1.4
209.11726	1.9
211.13266	39.1
223.11099	1.2
223.13263	18.0
227.12752	11.1
233.15201	0.8
245.13702	0.8
245.19016	1.3
249.14822	4.6
253.14304	0.9
255.15663	1.1
257.18973	1.4
263.20328	0.7
267.15894	25.1
269.17487	3.0
269.25500	0.7
273.18460	13.5
275.20062	5.1
283.15381	11.3
285.16949	37.1
291.19510	100.0
292.19891	1.8
313.21487	0.8
347.22025	3.2
349.23639	3.7
365.23203	50.1
366.23343	1.2
437.25082	1.6
445.25876	1.0
447.28366	1.0
459.27209	2.1
463.26831	3.7
477.28473	13.8
483.31201	1.1
495.29419	1.9
539.33752	3.0
557.34705	43.7
558.34753	0.9
575.35736	65.7
576.35736	2.5
621.32593	0.8
730.16583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01665	0.9
55.01869	10.7
55.05257	1.3
55.05503	21.1
56.96534	0.8
57.03430	13.2
57.07054	1.4
58.06574	1.3
59.04977	1.1
60.07258	0.9
61.02922	4.0
65.03906	2.6
67.05495	64.5
69.03419	8.3
69.07061	23.4
70.81791	2.3
70.82153	0.8
71.01331	1.5
71.04984	7.5
72.04476	1.2
73.02887	2.4
73.06537	1.0
77.03910	1.4
79.05482	43.3
81.03407	43.6
81.07046	68.3
81.18075	0.8
83.04474	1.3
83.04971	22.7
83.08128	1.2
83.08607	19.5
85.02416	1.2
85.02894	16.2
85.06528	6.7
85.43662	0.7
86.06064	0.8
86.09691	1.2
91.03937	2.0
91.05468	71.0
93.07031	43.7
93.50233	0.8
95.01306	1.5
95.04955	30.3
95.08592	25.4
97.02885	6.5
97.03468	1.2
97.06517	10.0
97.10151	6.0
98.98404	0.8
99.04453	1.9
99.08084	2.4
103.05458	1.3
105.04543	1.0
105.07014	55.8
107.04936	13.2
107.08575	37.9
109.02828	1.2
109.06498	10.8
109.10138	43.0
111.04414	3.5
111.08054	7.6
113.05959	3.3
115.05443	2.3
117.06998	11.8
119.04936	1.0
119.08566	30.0
121.06496	9.2
121.10126	12.9
123.04399	1.9
123.08030	6.4
123.11695	10.4
124.99988	0.9
125.09607	6.1
127.03898	1.1
127.07508	3.1
128.06175	1.9
129.06984	12.6
131.08554	20.2
133.06479	6.0
133.10110	66.7
135.08031	6.9
135.11668	5.9
137.05914	1.4
137.09593	3.9
139.07536	1.2
139.11150	1.3
141.06969	1.7
142.07770	2.8
143.08554	6.0
145.06479	1.3
145.10086	9.6
147.08052	5.8
147.11653	14.6
149.09599	10.0
149.13232	1.9
151.07513	1.0
151.11154	25.7
155.08539	1.3
157.10107	15.3
159.08041	1.7
159.11659	4.3
161.09590	6.9
161.13223	2.3
163.11162	3.3
165.12724	2.5
167.08607	1.1
167.35844	0.9
169.10039	1.8
169.12248	4.0
171.11630	4.0
173.09592	1.5
173.13234	1.4
175.11150	11.5
177.09106	1.8
177.12830	1.4
179.10641	2.5
181.10152	1.1
181.12166	1.5
183.11620	1.0
184.07346	6.0
185.13266	0.9
187.11209	1.2
187.14772	0.9
189.11176	1.8
189.12715	1.8
191.10780	0.8
193.12224	27.6
195.11737	1.3
198.14893	1.3
199.13196	0.8
201.16405	0.9
211.13248	42.4
213.16281	0.9
215.12726	3.2
223.13266	2.7
227.12680	1.7
227.18013	1.1
231.13849	0.9
245.18942	3.5
249.14789	1.6
251.12692	2.8
253.14316	100.0
254.14848	1.0
255.17380	3.1
263.19989	2.1
267.15839	15.5
267.18570	1.3
271.15286	1.5
273.18451	20.8
275.19913	3.0
283.15341	2.6
285.16931	30.6
291.19495	32.1
309.20483	1.8
329.21216	1.3
333.24307	0.9
343.22745	1.0
347.22150	9.2
365.23166	30.4
383.24051	1.1
389.23093	1.0
445.25641	2.9
451.31845	0.9
463.20425	0.9
463.26917	12.7
465.29956	1.1
477.28653	1.2
481.27975	7.8
525.35254	4.3
539.33490	3.7
543.36798	6.5
557.34644	23.3
575.35657	56.0
610.43146	1.2
772.47522	1.3
773.40442	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.0
55.05508	24.5
56.67801	0.5
57.03181	0.7
57.03434	11.8
57.07063	0.9
59.04990	1.8
61.02906	2.8
65.03924	1.8
66.46202	0.6
67.05498	35.8
68.05799	0.8
69.03425	9.9
69.07063	28.5
71.04986	5.5
71.63525	0.9
73.02914	1.5
73.89754	0.6
79.05488	33.8
81.03411	40.1
81.07051	38.2
83.01324	1.2
83.03625	0.7
83.04976	14.1
83.08612	23.1
83.23077	0.5
85.02425	1.1
85.02903	15.1
85.06528	2.4
91.05473	35.0
93.07037	29.3
95.01320	0.9
95.04960	21.2
95.08596	19.5
97.02882	12.5
97.06538	6.0
97.10162	15.5
99.04441	1.2
99.08051	1.7
103.05436	1.0
105.03338	0.7
105.04515	0.6
105.07021	27.3
107.04948	11.4
107.08585	19.6
109.02821	1.1
109.06494	6.0
109.10149	9.3
111.04446	2.9
111.08082	7.6
113.05968	1.8
115.05425	2.5
117.07013	9.0
119.04900	2.4
119.08567	21.8
121.06478	5.0
121.10135	11.6
123.04458	0.7
123.08060	6.7
123.11663	1.9
125.09612	9.9
127.03900	1.1
128.06215	2.0
129.07002	8.6
129.75032	0.6
130.07747	1.6
131.04881	0.7
131.08553	14.7
133.06493	4.8
133.10121	14.1
134.07254	1.1
135.08049	4.2
135.11673	5.6
137.09601	2.5
142.07742	2.5
143.08543	4.1
145.06502	0.9
145.10115	10.3
147.08040	8.1
147.11674	10.7
149.09618	6.0
149.13268	2.9
151.11165	1.2
153.09116	1.2
153.12691	0.8
155.08546	1.4
157.10114	10.5
159.08083	1.5
159.11688	4.2
161.09608	3.0
161.13326	0.9
162.10371	1.3
163.11153	6.2
165.09067	1.2
165.12761	1.9
169.10086	0.9
169.12228	0.6
171.11702	2.2
173.09622	1.6
173.13252	2.4
175.11179	9.8
177.12686	1.5
181.12215	0.8
181.57713	0.7
183.11740	0.9
184.07301	0.8
185.13248	1.0
189.11249	4.7
189.12738	1.0
189.63617	0.7
193.12227	24.9
195.13695	1.5
205.12213	1.4
209.11726	1.9
211.13266	39.1
223.11099	1.2
223.13263	18.0
227.12752	11.1
233.15201	0.8
245.13702	0.8
245.19016	1.3
249.14822	4.6
253.14304	0.9
255.15663	1.1
257.18973	1.4
263.20328	0.7
267.15894	25.1
269.17487	3.0
269.25500	0.7
273.18460	13.5
275.20062	5.1
283.15381	11.3
285.16949	37.1
291.19510	100.0
292.19891	1.8
313.21487	0.8
347.22025	3.2
349.23639	3.7
365.23203	50.1
366.23343	1.2
437.25082	1.6
445.25876	1.0
447.28366	1.0
459.27209	2.1
463.26831	3.7
477.28473	13.8
483.31201	1.1
495.29419	1.9
539.33752	3.0
557.34705	43.7
558.34753	0.9
575.35736	65.7
576.35736	2.5
621.32593	0.8
730.16583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
58.06590	0.6
60.07878	0.4
60.08156	5.7
70.68779	1.3
71.07366	3.2
86.09692	29.2
98.98444	2.5
104.10715	1.8
105.34614	0.4
108.36417	0.5
108.96835	0.4
124.99986	19.8
158.10120	0.4
161.74002	0.4
184.07315	100.0
185.07645	0.4
225.95648	0.3
308.68393	0.4
607.39227	0.4
754.41467	0.5
754.53815	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	773.2118
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01834	0.2
55.05466	0.2
57.03429	1.3
60.06627	0.1
61.02924	0.6
65.03922	0.1
67.05481	0.1
68.99776	0.2
69.03418	1.4
69.32699	0.4
69.33123	0.7
71.04983	6.9
73.02874	0.4
75.04426	0.5
81.03408	0.6
83.04961	0.6
85.02892	11.7
87.04417	0.3
91.03915	0.1
93.03343	0.3
95.04926	0.2
95.08575	0.1
97.02883	1.4
98.21301	0.4
99.04388	0.4
101.05988	0.1
103.03876	0.1
109.02871	0.6
109.03449	0.1
111.00790	0.6
111.04404	0.3
121.02850	0.7
123.04386	0.3
127.03892	1.4
129.05461	2.6
137.02322	2.2
137.03323	0.1
139.03844	0.1
145.04941	1.0
147.04329	0.1
147.06467	0.6
149.02296	0.4
153.01810	2.4
161.05928	0.3
163.03909	0.5
163.06012	0.1
165.00517	0.1
165.01817	1.8
166.02629	0.2
173.05966	0.3
183.02817	0.7
187.03864	0.1
191.03336	0.1
195.02844	0.2
201.05484	0.9
205.04852	0.2
207.13824	0.2
213.05457	0.1
219.02800	0.1
219.06544	0.2
220.49509	0.1
229.04935	3.0
230.05257	0.1
247.05914	0.6
257.04398	2.4
262.88690	0.1
274.04718	0.8
275.05377	0.2
281.17264	0.1
285.03979	1.1
302.04443	0.1
303.04941	100.0
304.05286	1.8
315.04922	0.3
327.04929	0.2
344.71210	0.1
345.06000	0.8
369.05963	0.2
449.10822	0.6
465.10236	30.4
466.10403	0.6
611.15759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2127
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01865	0.6
55.05505	0.2
57.03426	2.7
59.04990	0.2
61.02915	1.4
66.23647	0.1
68.99784	0.3
69.03422	5.0
70.07712	0.6
71.01338	0.4
71.04982	10.1
73.02902	1.1
75.04459	0.4
81.03412	1.9
83.01324	0.2
83.04967	0.8
85.02892	25.3
87.04453	1.2
91.03940	0.7
91.05503	0.1
93.03363	0.2
97.02876	4.5
98.21166	0.4
99.04434	1.3
101.02385	0.2
103.03957	0.6
109.02857	1.8
111.00778	0.9
111.04412	0.5
115.03896	0.3
117.05396	0.2
121.02859	0.7
124.08795	0.1
127.03899	3.3
129.05457	3.1
135.04434	0.2
137.02325	1.7
137.06059	0.1
139.03870	0.2
145.04944	1.9
147.04411	0.5
147.06479	0.9
149.02332	0.3
153.01791	2.6
161.05945	0.2
163.03885	0.5
163.06059	0.2
165.01807	1.4
166.02618	0.3
173.05992	0.1
174.94991	0.2
177.05545	0.1
179.03400	0.2
183.02835	0.6
183.85191	0.1
184.07384	0.1
187.04019	0.1
191.03342	0.3
195.02959	0.1
201.05444	0.9
203.03380	0.1
205.04980	0.2
213.05379	0.1
215.82561	0.1
217.04970	0.3
219.06483	0.2
224.62631	0.1
229.04945	2.6
229.06990	0.2
239.09122	0.1
245.04485	0.4
247.06088	0.6
257.04391	2.0
266.59482	0.1
273.03839	0.4
274.04691	0.7
275.05472	0.5
285.03864	1.2
286.04544	0.2
287.05573	0.2
301.03329	0.3
302.04199	1.0
303.04941	100.0
304.05261	1.7
313.03555	0.3
315.05026	0.3
319.04462	4.9
320.04639	0.2
322.03217	0.1
327.04886	0.6
331.58224	0.1
341.06616	0.1
345.06064	2.1
357.05780	0.2
369.06140	0.2
413.08914	0.1
447.09119	0.2
449.10547	0.3
465.10233	29.8
466.10663	0.6
473.81348	0.1
611.15729	0.2
627.15942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01862	0.3
55.05505	0.2
57.03429	1.6
59.04986	0.1
60.07814	0.1
61.02921	0.4
65.03940	0.2
68.99802	0.3
69.03428	1.2
71.01353	0.2
71.04982	8.7
73.02907	0.4
75.04455	0.4
81.03413	0.6
83.04969	0.5
85.02892	13.1
86.06084	0.1
87.04450	0.4
91.03929	0.1
91.75262	0.1
93.03405	0.2
95.04986	0.1
97.02879	1.3
98.21108	0.5
99.04450	0.3
101.64724	0.1
103.03941	0.1
109.02869	0.6
111.00797	0.7
111.04440	0.4
115.03911	0.1
121.02841	0.7
123.04426	0.2
127.03893	0.9
129.05458	2.6
135.04379	0.1
137.02318	2.6
139.03896	0.1
145.04918	0.6
147.04375	0.1
147.06482	0.6
149.02357	0.4
149.45172	0.1
151.03883	0.1
153.01793	2.2
155.04832	0.1
161.05966	0.2
163.03903	0.5
165.01813	1.7
166.02599	0.3
171.02853	0.1
173.06004	0.1
179.03343	0.1
183.02879	0.7
185.97058	0.1
187.03882	0.1
191.03412	0.2
195.02913	0.1
201.05441	0.9
205.05154	0.1
211.03961	0.1
213.05515	0.1
215.03506	0.1
219.03032	0.1
219.06554	0.2
229.04915	3.1
229.49625	0.1
233.04514	0.1
245.04514	0.1
247.05960	0.6
257.04407	2.2
274.04779	0.7
275.05478	0.2
285.03925	1.3
286.04578	0.1
302.04428	0.1
303.04938	100.0
304.05280	1.8
315.04840	0.2
345.05887	0.4
369.05933	0.1
408.68204	0.1
447.08893	0.1
449.10159	0.1
465.10223	27.7
466.10645	0.7
611.15656	0.1
627.15881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.0
55.05506	12.5
56.96552	1.6
57.03434	10.2
57.03676	1.9
59.04973	1.4
60.80136	1.6
61.11483	1.3
65.03927	2.7
66.06539	1.1
67.05502	15.3
68.99792	2.8
69.03423	10.2
69.07067	6.3
70.06605	1.2
71.04585	2.4
71.04981	42.2
73.02892	1.7
75.04491	2.5
79.05480	20.8
80.08102	1.4
81.03410	9.3
81.07047	22.5
83.04971	9.4
83.08595	5.3
85.02898	40.0
87.04446	2.3
91.05467	13.2
93.07021	11.5
95.04961	9.3
95.08607	10.0
97.02859	1.8
97.06490	3.0
97.10168	2.4
99.04449	1.4
99.71209	1.4
105.07002	9.3
107.04961	3.9
107.08604	10.8
109.02933	1.7
109.06520	6.7
109.10149	6.0
111.00799	3.8
111.04424	4.9
111.08040	2.2
112.08575	1.2
117.07024	2.8
119.06098	1.5
119.08565	8.0
119.21084	1.2
121.06472	3.8
121.10120	4.3
123.04453	2.1
123.08051	4.7
125.09630	4.8
127.03927	2.9
129.05469	5.9
129.06981	2.5
131.04921	2.8
131.08510	3.3
133.10127	2.6
135.04373	2.8
135.08017	2.1
135.11690	1.7
137.02344	2.3
137.06030	1.9
139.03894	6.3
145.10098	3.8
147.04335	2.9
147.11702	2.2
149.02280	2.1
149.09599	2.8
153.01808	60.3
157.10083	2.1
159.11674	1.4
161.06012	2.4
163.03926	11.4
163.11180	2.3
165.01822	6.7
165.05553	1.7
167.03386	3.9
171.02956	2.1
171.04399	1.5
173.06021	1.8
175.03888	2.8
176.04669	1.8
177.01811	11.1
177.05426	3.8
179.03455	3.6
181.04837	1.8
183.02878	2.8
185.05972	2.1
186.90567	1.5
187.03857	3.7
189.01849	2.0
189.05484	7.0
191.03409	4.2
193.12215	1.9
195.02856	7.1
197.05998	3.0
199.03976	1.8
199.07471	2.5
201.05469	3.2
203.03383	8.7
203.06970	3.2
205.04951	1.8
207.02895	2.4
212.04578	1.3
213.05458	2.9
215.03413	6.0
215.07031	2.0
217.05017	3.8
219.02850	10.8
225.05426	2.0
226.06238	1.6
227.03433	2.3
227.06963	2.6
229.04984	5.5
229.65489	1.7
231.02888	1.8
231.06389	2.0
233.04382	2.2
237.05444	1.4
239.06935	1.7
241.04977	3.0
243.02831	7.2
243.06482	3.4
245.04459	5.3
246.12469	1.9
253.04982	4.3
255.02837	1.7
255.06322	2.7
255.10211	1.7
257.04407	5.3
257.11609	1.9
259.05942	2.5
267.06613	2.5
267.16022	3.0
269.04337	3.2
269.11862	1.4
271.02679	1.4
271.05975	5.7
273.03769	1.8
279.06439	2.0
281.04401	3.8
283.06064	2.1
285.03918	2.7
285.10965	2.3
286.04651	3.5
287.05341	2.0
289.03250	2.3
291.19449	2.4
295.06061	4.1
295.09521	1.5
297.03818	3.9
299.05444	3.9
301.03299	3.4
303.05054	3.5
307.06012	2.3
309.03848	2.5
311.05518	3.9
311.08987	1.6
313.03568	7.5
313.06787	2.1
314.04266	3.3
315.05130	5.2
319.04807	2.4
321.04022	1.7
323.05417	4.5
323.09235	4.3
325.03494	2.7
326.04099	2.5
327.04880	16.0
329.02887	10.4
329.06302	1.8
331.04367	9.9
335.05420	2.7
337.03311	3.5
338.04260	2.1
339.04880	10.5
339.11755	1.7
341.02713	1.8
341.06418	3.2
343.04364	9.1
347.05365	2.4
351.05173	6.1
353.02881	2.9
353.06509	2.8
355.04434	61.1
356.04810	1.7
357.06030	2.5
358.71558	1.4
363.04871	4.7
365.06479	3.3
367.04355	3.3
367.08313	1.8
369.06055	10.4
371.03741	2.0
377.06503	2.2
379.04440	12.9
381.06094	3.7
383.07300	1.6
393.05927	3.7
393.13235	2.1
395.03879	1.5
397.05548	3.6
405.06079	1.8
411.14673	2.2
421.05521	2.3
421.12817	4.0
439.13757	20.8
445.12991	2.8
449.12073	11.0
451.13599	5.8
453.11578	3.5
463.13593	8.9
467.13339	79.5
471.13049	3.0
473.12570	2.7
479.13089	2.3
481.14691	3.0
485.14349	14.6
487.13474	1.9
491.13351	23.8
493.15024	6.5
497.14206	2.7
505.14706	2.1
508.31006	1.7
509.14349	13.2
511.15991	11.6
515.13348	1.8
521.14099	2.6
527.15161	5.9
531.16119	2.9
533.14264	14.6
551.15350	4.5
553.17047	2.1
559.15649	6.0
573.21210	3.4
575.22394	1.8
577.16724	5.1
591.22089	15.1
593.23505	3.8
595.18243	2.0
609.23230	100.0
610.23401	2.2
615.21680	3.8
621.22913	4.2
627.24310	86.3
628.24951	3.1
633.23212	28.4
639.23755	4.6
651.24274	28.2
669.25171	14.8
675.24500	11.4
693.25336	9.8
701.26416	8.3
719.27051	10.4
737.27606	8.1
755.28217	3.1
773.36328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05256	2.2
55.05507	26.3
57.03432	12.6
57.07056	4.8
59.05001	1.6
61.02680	1.4
61.02926	16.9
65.03918	2.9
67.05497	73.1
68.32250	1.3
69.03424	8.3
69.06706	2.4
69.07057	25.7
71.04983	4.0
71.08621	1.8
71.53595	2.0
73.02908	7.8
77.03950	1.9
79.05483	51.3
81.03404	7.9
81.07047	70.9
82.28757	1.2
83.04957	4.4
83.08609	13.2
85.02892	14.0
85.06537	3.3
91.03945	7.3
91.04884	1.7
91.05468	54.5
93.07032	72.1
95.04952	11.5
95.08596	55.5
97.02892	12.6
97.06515	5.7
97.10158	4.8
99.08047	2.2
101.02369	2.7
104.03137	1.4
105.07019	53.5
107.04935	3.2
107.08583	42.8
108.08887	1.4
109.06514	3.5
109.10139	25.2
111.08051	3.1
117.07000	27.4
119.08568	48.2
121.06495	3.8
121.10130	31.6
123.08040	4.4
123.11711	7.4
125.09585	2.7
127.03842	3.4
128.06197	3.1
129.05542	2.0
129.06985	14.9
131.08553	37.9
133.10110	35.2
134.69337	1.6
135.08047	2.5
135.11678	21.2
137.09564	3.3
137.13255	2.0
141.06934	4.2
142.07738	2.7
143.08551	17.6
144.09210	1.8
145.10117	35.3
146.10449	1.6
147.08018	2.4
147.11674	28.6
149.09607	3.6
149.13263	11.1
151.11156	1.7
155.08505	8.1
156.09300	2.2
157.10138	17.2
159.08057	2.6
159.11673	27.8
161.09590	2.3
161.13239	21.0
163.11192	2.7
163.14845	4.0
167.08533	4.1
169.10143	8.9
169.11357	1.6
171.11687	20.7
173.09760	1.9
173.13249	20.0
175.11240	1.9
175.14810	9.7
181.10057	5.7
183.11688	9.7
184.07336	1.7
185.09622	1.4
185.13257	16.7
187.14833	8.3
189.12756	2.1
189.16466	1.7
195.11668	5.4
197.13290	5.3
199.14825	6.9
201.12698	2.5
201.16313	3.4
203.17996	1.9
205.15834	1.9
207.72980	1.4
209.13269	4.2
211.14810	5.3
213.12746	1.6
213.16348	5.8
215.17966	2.8
221.13188	2.2
223.14856	2.1
225.16357	3.0
227.17911	1.9
228.41083	1.6
229.19505	2.0
231.21080	3.4
239.17972	2.8
241.19514	13.7
243.21089	4.0
247.93718	1.4
257.19043	7.7
259.20532	38.1
261.22156	6.5
271.20541	2.2
273.22089	2.1
275.20157	3.0
277.21735	1.5
285.22229	2.1
289.21759	1.7
297.22064	1.9
299.19940	1.5
301.21655	2.5
313.21628	1.7
313.25140	1.8
315.23196	3.4
333.24243	24.6
335.25757	45.4
337.27322	2.5
349.21292	2.3
367.22687	4.5
385.23785	3.2
421.25693	1.6
459.27267	1.7
477.28125	2.1
489.35583	1.8
519.42023	3.8
537.42834	4.0
541.38293	2.5
593.45465	8.9
596.41565	1.4
609.44806	4.2
611.46600	100.0
612.46643	6.5
623.45935	1.7
635.46466	3.2
677.47064	2.6
701.46960	5.9
719.48181	3.2
737.49487	3.5
755.50311	2.8
773.51947	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	773.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.4
55.05504	25.5
57.03432	10.7
57.07060	2.2
59.24529	1.6
61.02920	11.4
65.03943	3.5
67.05497	68.3
69.03422	8.3
69.07056	22.7
69.43314	7.6
69.43743	8.0
71.04973	6.3
73.02886	6.1
79.05482	50.7
81.03383	5.5
81.07047	72.8
83.04958	3.1
83.08616	11.2
85.02888	12.5
85.06508	2.8
88.01727	1.6
91.03927	4.7
91.05464	50.7
93.07032	68.5
95.04942	8.9
95.08594	47.9
96.08909	2.3
97.02866	12.9
97.06507	5.0
97.10143	5.3
98.20890	5.7
99.08086	2.7
105.07018	46.2
107.08584	37.7
109.06480	2.5
109.10145	20.9
117.06994	15.8
119.08569	43.8
121.06464	3.1
121.09298	2.6
121.10121	33.2
123.08055	3.2
123.11675	4.2
125.09687	1.9
127.03831	2.2
128.06197	2.5
129.06996	10.7
131.08556	33.8
133.10114	35.4
135.08035	3.3
135.11684	19.9
137.09622	2.6
139.11098	1.8
141.00143	2.0
141.06917	2.2
142.07736	2.1
143.08556	12.2
145.10097	29.1
147.08028	3.3
147.11676	29.1
149.09589	2.8
149.13220	15.0
155.08554	5.8
157.10110	15.7
159.11667	26.5
161.09554	1.9
161.13261	24.0
163.14810	6.2
167.08545	3.2
168.16432	1.7
169.10089	7.5
171.11655	17.0
173.13252	17.7
175.14787	14.5
177.12889	1.8
177.16379	2.3
181.10159	2.7
183.11644	5.0
183.56812	1.6
184.07333	4.2
185.13181	12.8
187.14796	6.2
188.50471	1.7
195.11626	4.0
197.09561	1.7
197.13181	4.1
199.14783	9.4
201.16321	4.2
203.14265	1.9
204.93765	1.9
204.95840	1.8
209.13185	2.5
211.14792	3.9
213.16389	2.5
215.18021	2.7
225.16605	2.0
229.19408	3.3
231.21016	5.6
233.09419	1.7
236.57727	1.9
237.16451	2.2
239.17938	4.7
241.19591	19.1
242.19803	2.3
243.21037	3.2
245.85117	1.7
257.18924	10.0
259.20551	43.4
259.23328	2.5
261.22043	10.4
283.20493	2.0
289.21362	2.0
301.21567	2.4
315.23233	3.5
319.22647	2.5
329.20673	1.8
331.22479	2.5
333.24243	29.7
334.24255	2.9
335.25772	76.1
336.25995	4.0
337.27484	2.8
337.89481	1.7
351.25351	2.8
367.22543	5.9
375.25241	2.0
385.23575	3.6
441.26077	2.1
459.27246	2.4
519.41876	3.7
529.39001	2.6
537.43353	2.0
541.39642	1.9
593.45447	12.7
609.44971	3.0
611.46564	100.0
612.46899	8.7
623.46655	2.5
635.45355	2.1
677.46393	2.5
701.47412	7.1
719.48383	3.5
737.49011	5.0
755.50043	5.2
773.52783	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05506	17.0
57.03421	8.2
57.07073	2.4
61.02907	6.5
65.03923	2.9
67.05161	3.7
67.05499	50.1
68.74860	2.0
69.03412	5.0
69.07058	18.7
69.65849	11.5
69.66261	4.5
71.04983	4.2
71.08623	2.6
72.11926	2.1
73.02903	4.8
79.05481	38.8
81.07049	48.2
83.08611	9.4
85.02893	9.4
91.03933	5.9
91.05464	34.8
93.07027	50.7
95.04950	8.9
95.08595	40.9
97.02876	7.7
97.06544	5.7
97.10179	4.4
105.07013	37.1
107.08565	26.9
109.06495	8.1
109.10151	18.2
111.08035	2.5
117.06973	15.7
119.08562	31.4
121.10123	26.3
123.11713	5.5
125.09641	3.6
129.06973	11.1
131.08554	26.6
133.10107	26.3
135.08072	2.7
135.11673	19.4
137.13263	2.6
141.06961	3.7
142.07787	2.4
143.08488	13.4
145.10115	24.3
147.11667	25.5
149.13237	8.5
155.08513	6.3
157.10147	13.5
159.11691	18.1
161.13220	16.0
163.11188	2.9
163.14815	3.0
169.10168	4.9
171.11673	11.8
173.13254	13.1
175.11166	3.0
175.14803	4.8
180.81618	2.0
183.11697	5.0
184.07231	6.0
185.13252	10.4
187.14839	7.6
195.11749	2.6
197.13248	4.2
197.32462	2.3
199.14781	6.9
201.16461	2.5
206.59825	2.1
209.13274	3.3
213.16417	2.8
223.14859	3.9
229.19659	3.4
231.21062	4.7
239.17946	2.8
241.19531	15.7
243.21111	2.7
257.19058	6.6
259.20551	41.4
261.22180	7.3
291.19565	3.0
311.20081	2.3
313.21820	2.2
315.23242	3.0
323.87512	2.4
333.24176	29.3
335.25787	53.9
337.27466	2.5
367.22629	4.3
385.23932	2.7
519.41528	4.8
537.42859	3.0
593.45416	9.4
601.44617	10.2
609.45264	3.6
611.46588	100.0
612.46411	8.2
635.46783	2.8
737.50250	4.3
755.50360	4.9
773.52057	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	774.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	12.6
55.05505	38.3
57.03173	2.6
57.03431	24.4
57.07042	2.6
59.04979	2.1
61.02913	4.9
65.03947	3.3
67.05497	90.7
69.03427	12.9
69.06712	2.5
69.07062	35.4
69.39626	10.9
69.40034	3.3
71.04996	12.4
73.02898	2.0
77.59262	1.3
79.05483	77.5
81.03410	93.2
81.07048	100.0
83.04975	31.8
83.08128	2.6
83.08607	43.4
85.02898	40.3
85.06535	5.2
91.05471	84.5
91.26122	1.8
93.07037	72.0
95.04346	2.5
95.04958	44.1
95.08598	40.3
97.02882	8.5
97.06520	23.8
97.10163	17.3
97.80780	1.4
99.04459	3.1
99.08091	4.3
105.07018	63.2
107.04948	18.5
107.08585	43.7
109.02900	2.0
109.06509	11.8
109.10145	14.7
111.04417	5.6
111.08079	16.7
112.74809	1.5
113.06010	3.6
115.05423	2.2
117.07001	19.1
119.08569	49.4
121.06487	10.0
121.10123	25.6
123.08047	8.9
123.11705	6.1
125.09601	13.5
127.03894	6.0
127.07583	1.7
129.05496	2.6
129.07001	21.1
130.07784	1.7
131.08545	34.5
133.06447	5.3
133.10115	39.7
135.08047	5.6
135.11678	14.6
137.09590	4.3
137.13266	2.6
141.06949	3.4
142.07770	5.2
143.08557	4.9
145.06442	2.4
145.10110	19.2
147.08023	6.2
147.11676	31.8
149.09608	27.5
149.13243	10.1
151.11203	2.3
155.08505	2.7
157.10110	22.7
159.11696	13.9
161.09602	2.0
161.13261	4.0
163.11177	11.0
165.12718	4.4
169.10098	3.8
171.11696	4.4
173.04454	3.3
173.09546	2.0
173.13257	6.0
175.11179	21.4
177.12741	4.5
179.14299	3.5
183.11786	2.7
185.13303	3.5
187.11092	1.9
187.12900	1.9
189.11238	6.5
193.12216	59.5
195.12068	1.9
195.13889	5.8
197.13260	2.4
211.13263	95.8
212.13556	2.8
227.12743	15.9
229.14296	2.8
229.19539	2.9
239.17923	2.5
247.20544	4.3
249.14729	2.4
255.15881	9.0
257.18900	11.2
267.15900	40.5
269.17419	25.9
275.20059	40.4
283.15283	2.2
285.16934	95.0
286.17276	3.0
293.20926	4.1
311.19870	1.7
331.22537	4.1
349.23691	37.6
367.24780	2.8
419.24216	2.0
437.25430	2.7
439.27032	2.6
447.27408	11.2
455.26419	5.6
461.28949	26.8
463.30481	2.3
465.28363	18.1
467.31732	2.6
479.29974	73.4
480.30188	5.0
532.37262	1.6
541.35236	22.2
542.35815	2.5
559.36243	51.8
560.36572	3.2
577.37317	9.2
623.34326	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.7
55.05254	2.0
55.05506	27.7
55.81337	1.0
57.03431	25.0
59.04987	2.1
59.23968	1.0
61.02908	4.3
65.03937	3.8
67.05499	67.9
69.03416	9.2
69.07059	31.2
69.51483	1.1
69.97222	6.8
71.01340	1.6
71.04989	8.7
73.02921	2.1
73.40432	1.0
77.03889	1.2
79.05486	63.8
81.03410	72.6
81.07050	88.0
83.04974	25.8
83.08610	33.9
85.02420	1.6
85.02899	29.5
85.06523	6.1
91.05473	71.7
93.07036	58.7
94.07369	1.9
95.04958	36.1
95.08032	2.1
95.08599	32.1
97.02872	9.5
97.06525	17.0
97.10155	8.3
99.04420	1.9
99.08078	3.8
105.07024	46.3
107.04951	15.1
107.08588	32.5
109.02843	1.6
109.06514	10.1
109.10144	10.7
111.04409	3.3
111.08065	14.4
113.05964	1.8
115.05442	3.1
117.07015	14.4
119.04958	1.8
119.07777	2.4
119.08572	38.1
121.06497	6.0
121.10134	20.7
123.08052	5.7
123.11688	3.5
125.05975	1.3
125.09568	5.5
127.03887	3.2
128.06189	1.8
129.05464	2.7
129.06995	15.9
131.08559	28.7
133.06448	6.3
133.10106	27.9
135.08043	5.4
135.11693	13.2
137.09599	3.0
139.11168	1.4
142.07762	4.4
143.08522	3.9
145.06506	1.6
145.10098	12.5
147.08034	4.8
147.11671	22.3
149.09612	17.9
149.13228	11.1
151.11211	2.9
155.08549	2.0
157.10106	17.5
159.06445	1.4
159.07965	1.3
159.11690	12.7
160.76445	1.3
161.09607	2.3
163.11172	9.7
165.12764	5.3
169.10034	2.7
171.11642	3.0
173.04462	2.2
173.13242	3.5
175.11165	16.4
177.12724	4.0
179.14365	1.5
184.07353	2.1
185.13266	1.5
187.14720	1.3
189.11179	1.7
189.12727	1.5
193.12224	43.4
194.12794	1.2
195.13776	6.9
197.13280	2.7
211.13268	65.1
213.14816	1.6
227.12782	3.6
229.19589	1.3
239.17944	2.1
247.20673	1.4
255.15846	14.3
257.18936	4.7
267.15894	33.0
269.17447	49.0
273.18494	2.4
275.20026	25.0
285.16937	70.1
293.21097	2.5
331.22592	2.5
349.23657	22.5
367.24908	7.5
382.54526	1.5
409.35583	1.3
413.21918	3.3
419.24710	1.3
433.28748	1.6
443.27924	3.7
447.27316	11.9
461.28961	42.5
465.28461	19.7
479.30020	100.0
480.30167	3.6
541.35071	14.0
559.36267	26.4
577.37067	9.9
623.34430	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	774.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.3
55.05254	1.7
55.05503	25.9
57.03431	17.2
57.07055	1.9
57.86979	1.3
61.02903	4.0
65.03934	2.6
67.05498	51.4
69.03411	6.2
69.07059	25.6
70.22193	3.8
70.22610	2.8
71.04991	6.9
73.02929	1.9
79.05482	47.1
81.03406	58.1
81.07045	95.4
83.04967	16.8
83.08607	36.6
85.02892	26.6
85.06541	3.7
86.09686	1.8
90.30753	1.2
91.05466	49.6
93.07031	38.8
94.07382	1.2
95.04356	1.7
95.04955	33.6
95.08596	28.3
97.02870	4.2
97.06519	13.9
97.10163	7.4
99.08092	2.8
103.05488	1.3
103.06451	1.4
105.07017	48.1
107.04925	13.4
107.08585	22.6
109.06499	25.7
109.10144	12.8
111.04414	3.8
111.08066	13.4
111.37363	1.2
113.05972	2.8
115.05431	1.9
117.06991	8.8
119.04910	1.7
119.08566	41.0
121.06501	5.4
121.10120	21.4
123.08066	8.6
123.11707	8.2
124.99966	1.6
125.09606	5.5
127.07475	1.8
128.06218	1.4
129.06984	13.2
131.08557	21.4
133.06496	4.0
133.10109	27.4
135.08020	6.6
135.11687	7.2
137.09601	5.7
142.07759	2.7
143.08556	1.9
145.06532	2.0
145.10103	14.7
147.08018	4.5
147.11665	32.0
149.09576	15.4
149.13240	6.4
151.11174	3.4
155.08548	1.5
157.10114	15.6
159.11655	9.0
161.09508	1.7
161.13216	4.4
163.11174	9.6
163.14769	2.5
165.12724	7.4
171.11609	2.1
173.13222	3.1
175.11176	15.2
175.14680	1.7
177.12747	2.0
179.14316	1.6
183.11653	1.4
184.07314	4.6
187.11053	1.4
187.14903	2.1
189.11194	1.6
189.12749	1.6
193.12206	45.3
195.13824	2.9
196.94057	1.1
205.12230	1.6
207.13840	2.0
211.13251	50.8
223.13293	1.4
227.12779	3.8
229.19450	2.2
239.17847	1.7
247.20576	5.0
257.18994	4.3
265.11963	1.2
267.15878	42.5
269.17447	8.4
273.18384	3.4
275.20035	54.4
285.16925	100.0
286.17313	1.6
291.19489	4.2
293.21088	12.7
347.22018	1.6
349.23694	44.6
367.24771	33.8
449.30545	1.7
461.28448	1.8
463.29953	1.8
465.28397	1.6
467.31360	3.5
479.30014	6.3
485.32498	2.6
487.33633	2.3
495.29358	1.4
532.30469	1.4
541.35199	50.8
542.35333	3.0
559.36218	98.3
560.36346	5.0
577.37305	59.1
578.37604	2.3
775.37000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.6
55.05257	2.1
55.05504	36.4
56.04999	0.9
57.03428	26.0
57.07046	3.8
61.02923	8.7
65.03941	5.2
66.89396	1.0
67.05495	82.5
69.03416	11.6
69.07059	32.3
71.01337	1.2
71.04984	10.7
71.08612	1.2
71.12357	2.5
72.75370	1.0
73.02917	5.0
73.97609	1.0
79.05483	80.0
81.03406	71.7
81.07045	92.6
83.04968	28.1
83.08122	2.2
83.08605	33.5
85.02893	33.5
85.06541	5.3
86.09689	2.3
87.04437	1.4
87.73836	1.0
91.03935	4.6
91.05467	100.0
92.05776	1.7
93.07029	79.0
95.04956	46.2
95.08594	42.6
95.09029	0.7
97.02874	12.0
97.06515	14.6
97.10138	9.7
99.04459	2.7
99.08067	6.9
103.05455	3.0
104.79787	1.2
105.04482	1.9
105.07015	86.8
107.04950	14.2
107.08582	41.1
109.02868	1.2
109.06517	12.4
109.10143	16.4
111.04409	3.8
111.08064	16.1
113.05994	2.8
113.09636	1.1
115.05422	4.1
115.07557	1.0
116.04670	1.7
116.06158	1.1
117.07001	26.0
119.08561	66.5
121.06478	6.4
121.09296	1.9
121.10122	27.4
123.08044	7.7
123.11690	4.7
125.00010	1.3
125.05952	1.8
125.09604	6.0
127.03887	3.9
127.07545	1.9
128.06178	3.9
129.05489	8.1
129.06982	27.2
130.07745	1.7
131.08551	38.4
133.06471	6.4
133.10106	51.5
135.08034	5.3
135.11664	15.3
137.09583	5.1
141.06886	2.6
142.07784	5.9
143.08540	8.8
144.09253	1.1
145.04953	1.8
145.06488	2.6
145.09015	1.8
145.10106	24.7
147.08089	5.3
147.11667	48.6
149.09601	15.9
149.13240	13.9
151.11166	3.6
155.08505	3.3
157.08734	1.9
157.10100	25.7
159.11667	19.4
161.09619	3.0
161.13243	15.8
163.11180	6.8
163.14790	2.0
165.12704	4.2
169.10104	4.8
171.10234	2.2
171.11644	10.7
173.09502	1.6
173.11861	1.7
173.13254	8.7
175.11151	21.1
175.14769	8.6
177.12712	5.3
179.14330	2.7
181.12109	1.3
183.11656	3.3
184.07306	7.0
185.13237	8.3
185.88165	1.1
187.11151	1.2
187.14723	2.7
189.11157	4.0
193.12212	52.3
195.13716	5.1
197.13176	3.9
199.14789	5.8
201.16440	1.2
211.13255	66.1
212.13676	1.4
213.16386	1.4
215.17923	1.9
217.15813	1.7
227.12772	3.5
229.14284	1.8
229.19460	2.8
231.21011	3.0
233.15363	1.4
239.17909	1.9
241.19481	13.3
247.20555	1.4
249.14728	1.3
257.18900	5.7
259.20529	34.4
267.15894	28.2
269.17468	15.2
273.18594	1.7
275.20078	16.9
281.17072	1.3
283.15417	2.4
285.16940	62.1
291.19348	3.7
293.21094	3.2
297.22104	1.3
301.16510	6.1
301.21475	1.5
313.21515	2.2
315.23013	3.2
333.24194	29.5
349.23792	10.3
365.16287	1.4
400.81213	1.1
433.30804	3.1
451.32056	3.4
461.28906	6.4
465.28583	1.3
469.33319	2.9
479.29968	28.0
515.36908	1.7
525.35596	15.6
541.34888	1.6
543.36737	32.2
559.36090	6.7
561.38147	1.1
577.36536	3.2
775.41870	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.7
55.05257	2.6
55.05505	37.0
57.03429	26.7
57.07055	3.4
61.02910	8.3
65.03922	4.0
66.07674	1.5
67.05495	85.3
69.03419	16.2
69.06714	2.1
69.07057	31.4
69.36967	15.2
71.04981	11.9
73.02891	6.3
77.03901	2.2
79.05482	80.2
80.05811	1.9
81.03407	73.8
81.07046	96.4
82.07375	1.8
83.04966	25.8
83.08606	36.1
85.02890	35.9
85.03410	1.4
85.06522	6.8
86.09693	2.1
87.04463	2.2
88.90333	1.6
91.03936	4.9
91.05466	100.0
92.05777	1.4
93.07028	76.5
95.04955	44.5
95.08595	44.7
95.09102	1.2
97.02893	12.4
97.06516	15.9
97.10163	8.2
97.42365	1.6
98.21114	6.8
99.08074	8.3
103.03905	1.5
103.05456	2.5
105.04519	1.7
105.07018	88.1
107.04944	17.1
107.08579	40.4
109.02868	2.2
109.06505	12.6
109.10138	19.5
111.04426	4.9
111.08054	15.7
113.06024	3.6
113.09673	2.4
115.05428	4.1
116.04766	1.4
116.06180	1.7
117.07000	21.7
118.19067	1.4
119.08562	69.0
120.08861	1.7
121.06481	6.8
121.10120	29.2
123.04437	2.3
123.08053	10.1
123.11662	5.7
124.99993	1.9
125.09612	7.5
127.03895	6.8
128.06194	2.9
129.05496	7.9
129.06993	25.0
131.08549	40.9
133.06479	6.2
133.10106	54.6
135.08026	6.6
135.11676	15.6
137.09586	6.2
141.06976	3.2
142.07744	4.6
143.08536	10.1
144.09264	1.5
145.04999	1.6
145.06442	1.7
145.10109	23.4
147.07993	6.2
147.11662	47.5
149.09592	18.0
149.13237	13.3
151.11168	2.3
155.08496	4.7
157.10104	24.7
159.11681	19.5
161.09619	3.4
161.13222	20.6
163.11133	8.2
163.14789	2.1
165.12715	3.8
169.10182	4.2
171.11655	11.6
173.04401	2.2
173.09663	1.6
173.13234	8.5
175.11154	17.8
175.14769	6.5
177.12686	4.1
179.10626	1.8
179.14304	1.7
181.10094	2.2
183.11748	3.2
184.07333	10.4
185.13228	6.5
185.26833	1.4
187.14777	4.1
189.11191	3.7
189.12753	1.6
189.16290	1.7
193.12209	54.2
194.12431	1.5
195.13753	4.1
197.13258	2.8
199.14801	4.3
211.13243	62.1
211.15240	3.1
212.13623	2.0
213.12793	1.4
213.14684	2.1
213.16440	2.1
227.12749	3.3
229.14264	3.3
231.21030	4.1
234.18007	1.6
239.17955	2.8
241.19484	13.0
255.15848	1.6
257.18967	6.2
259.20538	40.6
267.15891	27.8
269.17389	19.6
275.19986	21.9
277.21417	1.7
283.15253	3.3
285.16928	63.4
286.17148	2.1
291.19559	2.5
293.17676	2.4
293.20950	2.2
301.16443	5.0
315.23102	3.3
333.20334	3.0
333.24191	32.3
349.23737	11.6
421.25531	1.6
433.30814	3.9
451.31879	4.5
461.28888	7.3
469.32654	2.6
479.29984	28.4
515.37305	2.9
525.35748	12.8
541.35382	3.3
543.36725	36.6
544.36975	2.3
559.12860	1.6
559.36041	8.6
577.36835	3.4
775.41687	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	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13899	1.0
55.01864	3.5
55.05503	19.9
57.02973	1.0
57.03175	1.6
57.03429	20.6
57.07061	2.4
65.03919	1.8
67.05497	62.6
69.03424	3.1
69.07059	16.0
70.24551	2.0
70.24965	3.1
71.04989	3.3
74.76965	0.8
74.93932	1.0
79.05482	43.5
81.03406	86.2
81.07046	62.5
83.04970	6.3
83.08605	21.2
85.02894	1.7
85.06548	3.3
86.09779	0.8
89.33507	0.9
91.05470	32.3
93.07033	46.9
95.04959	30.9
95.05544	1.9
95.08595	41.0
97.02892	3.0
97.06510	5.1
97.10160	8.6
99.08064	2.0
105.07018	26.2
107.04943	6.1
107.08585	26.4
109.06518	4.5
109.10140	19.3
111.04415	1.7
111.08042	7.9
113.98772	0.9
115.05472	1.7
117.06985	6.9
119.04962	1.8
119.08570	24.3
120.87976	0.9
121.06498	3.3
121.10124	21.2
123.04392	1.7
123.08058	3.1
123.11678	8.0
125.09631	4.1
128.06201	1.4
129.06984	10.9
131.08546	19.5
131.09500	1.6
133.06458	3.4
133.10103	14.5
135.08060	1.7
135.11668	11.8
137.09581	2.9
137.13281	1.6
142.07726	1.4
143.08577	2.2
145.10104	11.2
145.50273	1.0
147.08037	3.0
147.11671	17.5
149.09636	6.9
149.13232	7.7
157.10101	9.7
159.11710	7.9
161.13261	5.4
163.11147	2.6
163.14812	3.6
165.12778	1.8
171.11617	1.9
173.09541	0.9
173.13257	6.9
175.11142	10.5
175.14786	1.9
177.12743	1.0
177.16356	1.6
179.14258	1.1
183.11716	1.1
184.07307	3.4
185.13239	2.7
187.14801	3.3
189.11206	3.0
189.12743	1.6
191.14363	0.9
193.12227	22.8
195.11725	1.1
197.13203	1.0
205.12143	1.2
205.15747	1.4
211.13206	2.1
227.12753	7.3
235.13284	1.6
243.21024	5.8
249.14955	1.8
259.20541	1.4
261.22104	20.0
267.15875	100.0
268.16333	1.8
279.23126	2.5
285.22144	1.0
301.14355	1.1
301.22336	1.1
301.25198	6.8
309.16888	2.4
317.24759	3.5
335.25769	83.5
336.26184	2.0
359.25641	1.3
399.68457	1.1
417.26233	1.8
421.25928	2.7
435.27127	2.4
435.32535	4.7
453.33582	9.6
461.28806	1.1
471.34610	5.0
475.29883	0.9
499.08749	0.9
509.36029	1.8
527.37262	63.9
528.37549	3.5
545.38324	55.5
546.38379	2.3
559.39819	1.8
569.38104	6.0
590.37878	1.1
671.41718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05481	0.4
56.96535	0.2
57.03423	2.3
61.02888	0.6
65.03928	0.3
66.55049	0.2
69.03420	1.8
69.63814	0.4
69.64223	0.8
70.06553	0.5
71.01331	0.4
71.04984	13.6
73.02885	0.6
75.04441	0.7
79.05435	0.2
81.03412	1.0
83.04967	1.0
85.02895	18.9
86.06007	0.2
86.09635	0.2
87.04414	0.4
93.03371	0.2
93.07008	0.3
95.04961	3.9
97.02379	0.2
97.02895	2.0
99.04423	0.4
99.08071	0.8
103.05464	0.2
105.06993	0.3
108.84059	0.2
109.02878	0.9
111.00765	0.3
111.04460	0.8
119.04896	0.5
121.02846	1.5
121.06445	0.3
123.04416	22.4
127.03902	1.4
129.05464	4.1
133.10081	0.3
137.02321	5.7
137.03378	0.4
137.05930	0.4
139.03824	0.3
145.04919	0.7
145.06523	0.3
147.04379	1.8
147.06412	1.1
148.04753	0.4
149.02319	0.4
149.05954	0.3
151.03859	0.2
153.01810	1.9
159.04678	0.2
161.02235	0.3
161.05911	0.4
163.03889	1.0
164.63319	0.2
165.01851	1.2
165.04123	0.3
165.05458	4.2
166.78156	0.2
167.07010	1.0
171.04509	0.2
173.05888	0.5
175.03731	0.2
175.14833	0.2
177.01880	0.3
179.03471	0.3
181.01366	0.2
181.04944	0.5
183.02890	0.5
187.03918	0.4
191.03384	0.3
192.63812	0.2
193.15865	0.7
197.05969	0.2
201.05504	0.9
203.03387	0.5
205.01337	0.8
213.05540	0.3
215.03291	0.2
217.01294	0.7
219.06467	0.2
225.05504	0.3
229.04924	2.4
231.02837	0.3
243.06516	0.2
247.05997	0.6
249.03963	0.2
253.04968	0.7
257.04379	2.9
258.04593	0.2
259.02371	0.3
271.06049	0.7
273.03909	0.3
274.04736	0.4
275.05408	0.3
281.04501	0.4
285.03931	1.6
299.05457	0.9
303.04953	73.1
304.05292	2.4
305.02628	0.3
305.05569	0.8
315.04913	0.2
327.04919	0.3
329.02863	1.5
329.06583	2.8
331.04620	1.6
345.05997	0.5
347.03912	5.3
351.08469	0.3
355.04422	4.4
365.06546	0.8
373.05551	1.5
379.08087	0.3
385.12625	0.4
389.06363	0.2
407.07553	15.4
408.08093	0.7
409.96997	0.2
421.09082	0.4
431.09250	0.2
447.09509	0.2
449.08612	9.2
450.08618	0.2
465.10303	0.4
467.09686	100.0
468.09979	1.9
613.22607	0.3
629.15137	0.3
775.27423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.03412	0.5
58.93176	0.5
61.02909	0.4
61.22336	0.4
61.46812	0.4
67.05493	0.6
69.03418	1.1
69.07037	0.9
69.42561	3.4
70.06572	0.4
71.04986	0.6
77.00894	0.5
79.05471	1.4
81.03413	1.5
81.07047	1.8
83.04956	0.5
85.02908	2.0
89.85766	0.4
91.05492	1.4
91.87156	0.4
93.07047	2.1
95.01974	0.4
95.04973	0.6
95.08590	2.0
97.02919	0.7
97.06554	0.6
99.08108	0.5
105.07030	2.7
106.51220	0.4
107.04945	0.6
107.08593	1.5
109.02904	0.7
109.10170	1.0
111.04446	0.5
115.05502	0.9
117.07046	1.2
119.01925	1.8
119.08554	2.1
121.06522	0.7
121.10158	1.1
123.04433	1.5
124.05213	0.6
127.00026	1.2
127.03934	0.9
131.04863	0.5
131.08591	1.1
133.10127	2.0
134.99623	0.4
135.04446	0.5
135.11646	1.0
137.05963	3.6
137.09642	0.4
139.03908	1.3
143.08598	0.8
145.03514	0.7
145.04826	0.4
145.06430	2.1
145.10130	1.4
147.04422	0.7
147.11720	1.6
151.03909	1.0
155.01837	0.5
157.10188	0.6
159.11710	1.3
161.02971	0.5
161.06018	0.6
161.13290	0.6
167.03221	2.1
167.07034	13.0
168.07414	0.7
171.06520	0.7
171.11655	0.9
173.03006	0.6
173.05966	2.7
173.13309	1.2
175.07553	0.4
175.14822	0.6
177.05551	0.4
181.03409	0.8
181.04922	5.7
181.06480	0.5
185.04260	1.3
185.13203	0.5
187.14841	1.4
189.16356	0.5
201.16475	0.8
203.04024	1.2
205.02080	0.4
205.08607	1.2
207.06392	0.8
221.05054	3.5
223.07524	0.4
227.05237	2.3
233.07973	0.7
247.15416	0.5
261.02930	0.4
263.14999	0.5
271.04233	9.2
289.05191	1.8
359.15149	0.4
365.14236	0.4
385.12982	1.7
387.14417	1.7
403.14499	0.4
403.26788	0.4
417.15329	6.7
418.15958	1.0
449.29297	0.6
461.28787	0.7
467.30048	0.9
479.30322	0.6
483.34479	1.4
483.97421	0.5
491.30154	0.6
497.31403	1.3
509.30911	2.2
515.32422	0.6
527.32977	18.2
528.33472	1.1
543.55933	0.5
545.33167	4.6
546.33252	0.5
563.34338	1.6
568.35413	1.4
587.34491	1.8
605.35400	1.1
613.22943	0.9
614.23468	0.5
631.35461	0.8
637.22229	0.6
641.35156	0.5
671.36450	1.1
689.37512	5.5
690.37628	0.6
707.38568	1.8
713.37463	0.9
730.40283	0.7
731.39471	6.1
775.38660	100.0
776.25800	0.8
776.39044	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	775.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.05513	2.0
57.03185	0.2
57.03431	1.8
57.04472	0.2
61.02919	3.7
61.80410	0.2
65.03929	0.2
67.05502	4.4
68.05816	0.3
69.03423	2.3
69.07061	3.1
69.52034	0.5
69.52433	1.6
71.04974	0.9
72.30166	0.2
73.02914	3.6
79.05486	5.6
81.03410	2.8
81.07050	6.2
81.07512	0.5
83.04984	1.1
83.08620	1.0
85.02895	4.1
85.06538	0.5
87.04456	0.4
91.03944	2.1
91.05476	4.7
93.07033	4.3
95.04974	2.0
95.08611	2.6
97.02881	3.5
97.06542	0.8
97.10162	0.6
99.04461	0.9
101.02374	1.6
102.76749	0.3
103.03976	0.3
105.07019	3.5
107.04957	1.0
107.08582	2.3
109.02880	0.7
109.06503	0.8
109.10156	0.9
111.08070	0.5
117.06972	1.1
119.08567	2.2
121.06518	0.3
121.10098	1.1
123.08053	0.4
125.03528	0.2
125.09639	0.2
127.03922	1.4
129.07008	1.0
131.08565	0.8
133.10123	1.7
135.07974	0.2
135.11693	1.0
137.09644	0.3
139.03917	0.3
143.08560	0.6
145.10135	1.0
147.11668	2.3
149.13287	0.3
153.73434	0.2
157.10098	0.3
159.11705	0.4
161.09637	0.4
161.13277	0.7
163.11176	0.3
171.11659	1.3
184.07350	0.2
185.04260	0.7
189.12810	0.3
203.05310	0.7
236.18971	0.2
243.08386	2.5
247.12975	1.1
275.19995	0.3
281.17526	0.3
303.15710	0.6
303.19241	0.3
333.20377	2.2
389.22977	0.6
439.19406	1.3
453.21057	0.8
465.20917	10.0
466.21100	0.3
469.20453	0.7
524.16193	0.3
551.28223	6.4
551.36182	0.5
774.07874	0.2
775.42261	100.0
776.42493	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	778.5365
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05031	0.6
58.06627	0.3
59.07385	0.1
60.08157	6.2
67.05486	0.2
67.16667	0.1
70.06597	0.1
70.72288	0.3
71.06965	0.2
71.07364	3.4
79.05479	0.2
81.07042	0.1
85.99031	0.1
86.09697	29.8
87.10040	0.1
93.07035	0.2
98.98453	2.9
104.10732	1.8
124.99992	20.1
126.00345	0.1
143.01036	0.5
166.02602	0.4
184.07321	100.0
185.07649	0.4
197.77625	0.1
226.39514	0.1
397.70346	0.1
418.52539	0.1
466.73929	0.1
477.80493	0.1
500.31140	0.1
518.32007	0.1
688.23474	0.1
778.53613	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	779.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05503	1.6
55.07309	0.3
57.03435	2.4
61.02922	5.0
65.03948	0.5
67.05499	5.0
69.03421	3.6
69.07066	2.8
69.60796	0.2
70.73399	0.9
71.01356	0.6
71.04979	1.0
71.08870	0.3
73.02907	3.6
79.05488	4.4
81.03410	3.8
81.07050	5.6
83.04973	1.6
83.08627	1.2
83.09124	0.2
85.02896	5.8
85.06539	0.3
87.04469	0.4
91.03947	2.4
91.05475	4.7
93.07033	3.5
95.04961	2.4
95.08598	3.0
95.80351	0.2
97.02883	4.4
97.06548	0.8
97.10175	0.7
99.04494	0.6
99.08080	0.3
101.02360	1.9
103.03924	0.4
105.07031	3.1
107.04958	0.6
107.08578	2.4
109.02911	0.8
109.06543	0.7
109.10191	1.0
109.81812	0.3
111.04417	0.4
111.08083	0.7
117.07037	0.9
119.08560	3.6
121.06495	0.4
121.10104	1.7
123.08081	0.6
123.11691	0.5
125.09653	0.5
127.03937	1.2
129.06999	0.7
131.08578	2.0
133.10109	2.3
135.08086	0.3
135.11717	0.9
137.09691	0.4
142.07788	0.3
143.08556	0.3
145.10106	1.6
147.08112	0.5
147.11670	1.7
149.09628	0.8
149.13304	0.5
157.10156	1.0
159.11740	0.7
161.13278	0.4
163.11203	0.5
163.14925	0.3
171.11603	0.3
173.13293	0.5
175.11217	0.6
175.14876	0.3
184.07372	1.0
185.04272	0.5
185.13368	0.4
187.14818	0.6
189.16368	0.3
193.12297	1.1
203.05331	0.6
203.18033	0.3
211.13219	0.5
235.17169	0.4
243.08372	3.0
251.12646	1.2
259.68195	0.3
275.19971	1.5
291.16034	0.4
299.16724	0.3
303.19351	0.3
307.15189	0.3
333.20227	2.3
389.22888	0.6
397.76578	0.3
423.32642	0.7
439.19302	1.4
441.33688	1.5
453.21017	1.4
469.20444	7.7
470.20734	0.3
508.07611	0.3
547.65021	0.3
551.28271	7.7
617.37152	0.3
779.41785	100.0
780.42273	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	779.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05507	1.6
55.80686	0.2
57.03426	2.2
61.02918	4.8
62.47882	0.2
62.75887	0.2
64.95992	0.2
67.05497	3.8
69.03416	3.1
69.07061	2.0
70.96445	0.6
71.01355	0.5
71.04973	0.7
73.02908	3.6
79.05486	3.2
81.03407	4.0
81.07045	6.1
82.07374	0.2
83.04971	1.0
83.08601	1.5
85.02893	6.9
87.04475	0.4
91.03944	2.7
91.05462	4.2
93.07030	2.6
95.04954	2.1
95.08598	2.1
97.02877	4.2
97.06532	0.8
97.10156	0.3
99.04440	1.0
99.08119	0.2
101.02360	2.2
103.03944	0.5
105.07014	3.2
107.04960	0.7
107.08584	1.4
107.41282	0.2
109.02866	0.9
109.06493	1.2
109.10131	0.9
111.04448	0.2
111.08070	0.8
113.05951	0.3
115.03905	0.3
117.07012	0.6
119.08569	2.7
121.06507	0.3
121.10143	1.3
123.08075	0.6
123.11712	0.7
127.03902	1.2
127.07545	0.2
129.07001	0.9
131.08569	1.3
133.06522	0.2
133.10117	1.9
135.07948	0.4
135.11734	0.4
137.09589	0.4
139.03813	0.2
142.07765	0.3
145.04868	0.2
145.10149	0.5
147.08119	0.3
147.11655	2.3
149.09569	1.0
149.13251	0.4
157.10089	1.3
159.11720	0.5
161.13283	0.2
163.11140	0.4
165.12788	0.4
175.11177	1.2
184.07375	0.6
185.04247	0.8
193.12225	1.9
196.06053	0.2
197.11612	0.2
203.05309	0.5
211.13315	0.9
241.06792	0.2
243.08371	3.5
243.10672	0.2
251.12544	1.0
275.20151	0.3
285.17035	0.4
293.21246	0.3
301.08926	0.3
307.15268	0.5
333.20364	3.7
369.15054	0.2
371.16675	0.4
386.98315	0.2
389.23050	0.7
423.20078	0.6
453.21112	0.8
469.20383	12.3
470.20816	0.9
481.20523	0.6
541.22900	0.5
551.28168	4.6
552.28333	0.3
567.27301	0.3
617.36987	0.4
633.22473	0.2
651.33240	1.1
779.41705	100.0
780.42035	7.0
796.12964	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05497	1.7
57.03427	2.1
61.02631	0.3
61.02921	3.9
65.03963	0.2
66.39855	0.2
67.05491	4.7
69.03419	3.3
69.07063	2.0
69.59042	0.2
71.01358	0.5
71.04979	0.8
71.62179	0.3
73.02909	3.7
79.05486	3.9
80.05807	0.3
81.03409	4.2
81.07041	5.5
82.03696	0.2
83.04974	1.2
83.08595	1.5
83.89317	0.2
85.02895	5.5
85.06548	0.3
86.09713	0.6
87.04441	0.3
91.03944	2.6
91.05469	4.5
93.07031	3.8
94.07360	0.2
95.04955	2.1
95.08596	3.3
97.02877	4.2
97.06523	1.1
97.10168	0.5
98.21028	0.2
99.04457	1.1
99.08089	0.3
101.02354	1.9
103.03931	0.4
105.04510	0.2
105.07008	3.6
106.07370	0.4
107.04954	0.6
107.08576	2.3
109.02869	0.8
109.06539	1.1
109.10144	1.4
111.04427	0.4
111.08068	0.4
115.03889	0.3
117.07018	0.8
119.08546	2.7
120.08959	0.2
121.06512	0.3
121.10123	1.9
123.08088	0.5
123.11718	0.2
124.99997	0.4
127.03893	1.3
129.06982	0.9
131.08536	1.8
133.10112	2.1
135.08020	0.4
135.11694	1.2
137.09615	0.3
143.08565	0.7
145.04950	0.4
145.10158	1.0
146.10516	0.3
147.08047	0.3
147.11670	1.5
149.09555	1.1
149.13260	0.3
157.10069	1.0
159.11729	0.8
161.09700	0.3
161.13248	0.3
163.11230	0.3
165.12791	0.5
171.11740	0.3
172.12047	0.3
173.13283	0.4
175.11183	1.1
184.07353	1.6
185.04192	0.6
185.13231	0.2
187.14832	0.3
193.12215	1.4
197.13240	0.3
203.05290	0.5
211.13306	0.8
221.27882	0.2
243.08350	3.1
251.12566	1.4
275.20184	1.0
276.20441	0.4
307.15051	0.3
333.20273	2.1
389.22913	0.3
439.19455	0.9
453.20877	2.1
454.21237	0.2
469.20407	9.8
470.21152	0.3
551.28131	5.2
552.28821	0.3
573.27460	0.2
617.36450	0.4
633.23016	0.4
667.33618	0.2
681.34692	0.6
743.50342	0.3
779.41724	100.0
780.42078	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05503	1.6
57.03434	2.1
57.07058	0.6
61.02919	5.1
65.03947	0.4
67.05494	5.1
69.03427	3.5
69.07069	1.2
69.99736	2.4
70.75134	0.4
71.01347	0.6
71.04984	1.3
73.02914	4.2
78.10248	0.4
79.05485	3.7
81.03408	2.5
81.07049	4.7
81.07467	0.7
83.04936	0.5
83.08607	0.7
84.95408	0.4
85.00964	0.4
85.02903	4.9
86.79046	0.4
87.04475	0.6
91.03950	4.2
91.05473	3.6
93.07047	4.0
95.04967	1.5
95.08605	3.6
97.02878	3.4
97.06535	0.6
98.21440	0.5
99.04462	1.0
101.02356	2.4
103.03915	0.5
105.07027	1.6
107.08585	2.3
109.02869	0.9
109.10165	0.9
111.08070	0.4
115.03941	0.7
117.06998	0.5
119.08575	2.1
121.10124	2.0
123.08056	0.6
123.11738	0.6
127.03927	1.8
129.07047	0.5
131.08585	1.2
132.80881	0.4
133.10132	1.6
134.83409	0.5
135.11725	0.8
138.52048	0.4
144.42227	0.4
147.11725	1.1
149.09673	0.9
157.10181	0.5
161.13275	0.4
163.11127	0.5
184.07404	0.9
185.04207	0.5
193.12257	0.9
203.05273	0.6
243.08385	2.3
283.15146	6.1
335.25919	0.6
339.18076	0.5
423.32001	0.5
476.76474	0.5
501.22977	9.2
519.29230	6.8
728.78809	0.4
779.45410	100.0
780.45422	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	780.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.1
69.03423	0.3
70.52894	0.3
70.53253	0.2
71.04981	0.2
76.15086	0.1
78.04699	0.8
79.05484	0.9
81.03434	0.3
81.07063	0.3
85.02908	0.9
89.21265	0.1
91.05465	0.7
93.07036	0.5
94.25660	0.1
95.04977	0.6
97.02896	0.3
97.52548	0.1
103.05462	0.3
105.07001	0.9
106.04169	0.5
107.04946	1.6
109.02848	0.2
109.06493	0.2
111.04485	0.1
114.97055	0.1
115.05416	0.2
119.04959	0.3
121.06490	1.1
122.03651	0.3
123.04411	2.9
124.05217	1.5
125.06037	0.3
127.03870	0.1
128.06213	0.2
129.07013	0.4
131.08508	0.1
133.06467	0.8
134.03612	0.3
135.04440	0.2
135.08066	0.2
137.05942	0.8
139.03883	0.2
145.04982	0.2
145.06438	0.2
147.04361	0.2
149.05988	0.8
151.03886	0.7
151.07507	0.8
152.04668	1.3
153.05437	0.3
157.06473	0.4
161.05978	1.5
161.09633	0.3
162.07587	0.2
163.07520	0.3
165.09090	0.4
166.06252	0.4
167.07022	100.0
168.04199	0.2
168.07376	1.3
174.06757	0.3
175.07529	0.3
177.09261	0.2
179.07022	0.4
180.08690	0.2
181.05171	0.1
181.08578	3.2
189.09065	1.6
191.07022	0.5
191.10643	0.2
193.08589	5.0
195.08260	0.1
195.10155	0.3
205.08569	0.2
207.10129	0.5
209.07875	0.1
209.11581	0.1
211.09633	16.2
212.10033	0.2
217.08618	0.4
219.08171	0.1
219.10159	0.4
223.09618	0.3
255.06676	0.1
255.09932	0.1
257.11713	0.2
283.09729	0.2
283.13089	0.1
285.11096	0.4
311.12994	0.2
315.12265	0.3
317.13751	0.3
319.11398	0.1
329.13568	0.2
343.15326	0.5
345.13211	0.3
355.15268	0.2
357.16959	0.1
361.16437	6.9
362.16974	0.1
371.14749	0.9
373.16321	0.3
385.16479	0.2
387.17963	0.8
389.15729	0.4
399.17841	0.8
417.19055	0.2
465.10336	0.2
521.21619	0.1
530.00891	0.1
553.24060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.7
55.05508	16.0
57.03430	3.8
57.07068	3.0
59.05016	1.3
61.02917	3.4
65.03940	1.6
67.05496	40.5
69.03427	2.4
69.07060	32.9
71.05002	2.7
73.02910	1.3
79.05484	35.1
81.03426	6.3
81.07048	66.5
83.04964	6.6
83.08614	11.7
85.02914	4.5
85.06544	2.1
91.03947	3.2
91.05470	37.7
93.07036	54.9
95.04953	10.7
95.08595	67.3
97.02907	3.4
97.06529	7.5
97.10162	7.5
98.20753	2.0
99.08092	2.7
101.02339	1.3
103.05450	2.1
105.07018	57.3
106.07368	1.7
106.96388	1.0
107.04977	3.3
107.08584	53.8
109.06514	12.1
109.10147	32.9
111.08105	3.6
111.11718	1.9
113.06035	1.5
113.09669	2.0
117.07004	10.1
119.08569	55.9
121.06470	6.2
121.10135	39.2
123.08060	6.8
123.11712	9.1
124.79318	1.0
125.08846	1.0
125.09598	6.1
127.03990	1.6
129.07030	4.5
131.08554	25.9
131.09462	1.7
133.06535	1.6
133.10117	53.8
135.08006	5.9
135.11676	25.6
135.19862	1.1
137.09615	5.4
137.13277	2.4
139.11209	2.5
142.07787	2.6
143.08554	9.1
144.09364	1.4
145.06441	1.2
145.10100	32.2
147.08029	2.9
147.11674	38.6
149.09604	15.1
149.13232	18.8
151.11209	4.8
153.09125	2.4
155.08543	1.5
157.10118	10.5
159.11679	24.4
161.09639	3.7
161.13239	27.5
163.11174	8.8
163.14813	21.6
165.09140	2.6
165.12839	1.7
167.10760	1.6
169.10179	2.9
170.11017	1.4
171.11671	8.4
172.95303	1.0
173.09653	1.8
173.13246	23.1
173.14629	1.4
175.11200	6.0
175.14807	30.0
177.12746	6.1
177.16345	17.6
177.17764	1.2
179.10684	1.5
179.14389	4.6
183.11743	2.8
184.07324	2.0
185.13280	8.9
187.11194	2.2
187.14789	27.9
187.16360	1.4
189.11278	3.5
189.12724	2.6
189.16360	24.0
189.18048	1.2
190.16832	1.1
191.14296	18.1
191.15933	1.3
191.16287	2.0
191.17932	20.3
191.19545	1.8
193.12132	2.4
193.15961	1.9
195.13817	2.7
197.13312	3.8
199.14827	9.9
201.12831	1.9
201.16357	17.7
203.14377	10.4
203.17934	100.0
204.18301	2.0
205.15880	7.9
205.19600	4.3
207.13870	1.9
207.17520	1.7
209.15332	1.3
211.14949	1.7
213.16406	8.5
215.14453	1.6
215.17906	8.5
217.15898	7.8
217.19582	4.3
219.17570	3.1
221.15320	15.2
223.17052	1.4
225.16470	1.5
227.18095	2.6
229.15964	4.4
229.19594	4.2
231.17552	3.8
231.21138	2.9
233.15450	2.6
233.19017	2.2
235.16914	8.9
239.16138	10.5
239.18597	1.7
241.19576	2.9
243.17555	2.5
247.17067	4.5
247.20665	2.4
249.18451	5.9
251.20253	1.5
257.18964	8.8
257.22864	1.7
259.20596	2.8
261.18594	2.9
265.21667	1.4
267.20984	1.4
268.65347	1.1
269.22723	1.4
271.24387	1.5
275.20038	81.4
276.20407	2.2
277.21606	23.6
277.24240	1.6
281.22684	1.4
291.19727	1.5
293.21057	30.0
293.24078	1.8
327.27771	1.1
349.28329	1.0
377.32239	2.0
389.31738	5.5
395.33405	2.9
405.31390	2.1
407.32962	17.3
408.33722	1.1
423.32840	2.6
425.34085	40.6
426.34918	1.5
435.32874	5.0
443.35217	18.9
443.41049	1.6
450.13019	1.4
453.33578	8.2
469.20801	2.4
469.33157	1.1
470.20953	2.9
471.20758	2.5
471.34497	8.1
487.21692	1.9
487.34036	2.1
492.83640	1.2
506.28638	1.6
527.30090	1.2
553.29047	1.6
781.42792	78.6
781.55505	4.5
782.42676	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	783.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05499	0.3
57.07074	0.1
65.03906	0.6
67.05499	0.7
69.03419	1.4
69.07063	0.6
73.02916	0.3
79.05474	0.7
81.03402	0.3
81.07046	1.7
83.04980	0.3
83.08605	0.4
85.02901	0.1
91.05467	5.9
92.72256	0.1
93.07023	1.6
93.26783	0.1
95.04956	1.0
95.08030	0.2
95.08597	2.5
97.02872	1.2
97.06516	0.3
99.04415	0.5
105.07020	2.0
107.04953	0.7
107.08571	2.0
109.06509	0.3
109.10141	1.1
111.04438	0.3
111.08025	0.2
115.03926	0.4
117.07025	0.6
119.04927	16.4
119.08566	3.6
120.05213	0.2
121.10123	1.4
123.04445	0.2
123.08101	0.2
123.11694	0.4
128.06197	0.2
128.08780	0.1
129.06972	0.3
131.04883	0.2
131.08557	1.4
133.06467	0.1
133.10106	2.0
135.08003	0.2
135.11728	0.8
137.12094	0.1
137.13155	0.2
141.06889	0.1
142.07744	0.3
143.08534	0.8
144.09288	0.1
145.06480	0.4
145.10114	1.8
147.04388	100.0
147.11649	1.4
148.04712	1.1
149.09573	0.3
149.13222	0.5
153.09041	0.2
155.08496	0.2
156.09332	0.3
157.06532	0.2
157.10126	1.1
158.10963	0.2
159.07982	0.2
159.11668	1.7
161.09573	0.3
161.13245	1.3
163.14838	0.6
165.05470	2.1
169.10028	0.2
170.10916	0.1
171.07985	0.1
171.11665	0.8
173.06052	0.2
173.09785	0.1
173.13220	1.2
175.14774	1.0
177.09081	0.2
177.16356	0.5
183.11650	0.1
184.07283	0.1
185.13200	0.6
187.07466	0.1
187.14815	1.8
189.12689	0.4
189.16370	2.1
191.14278	0.4
191.17885	0.6
197.13193	0.3
199.14815	1.0
201.05446	4.4
201.12602	0.1
201.16368	1.3
203.14313	0.9
203.17917	1.2
205.15718	0.2
205.19614	0.1
207.13814	0.3
211.14796	0.2
213.16441	0.5
215.14270	0.4
215.17918	1.1
217.08577	0.1
217.15865	1.3
219.13820	0.2
221.13347	0.1
221.15352	0.5
224.10995	0.1
225.16183	0.1
227.17838	0.2
229.15805	0.3
229.19400	0.2
231.17432	0.3
233.15341	0.3
235.16985	0.8
239.17952	0.1
241.19473	0.2
243.21109	0.1
247.16959	0.7
249.18480	0.3
255.21106	0.1
261.07547	11.3
261.18402	0.5
264.25064	0.1
267.20963	0.2
279.08594	3.6
299.20047	0.1
307.23865	0.1
325.28802	0.2
328.15662	0.1
349.28735	0.2
355.26529	0.2
361.58261	0.1
371.29321	0.4
387.30392	0.4
393.31161	0.1
395.29333	0.4
405.31488	1.3
421.30603	0.1
423.27371	0.2
423.32532	1.6
425.33954	0.2
426.21198	0.1
433.31174	0.6
439.32028	1.0
441.33368	0.4
451.31912	1.8
459.34335	0.3
469.33090	7.7
470.33508	0.2
487.33679	0.3
615.35925	0.3
747.40643	0.3
783.42743	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	784.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.2
55.05513	9.6
57.03431	8.0
57.07048	2.0
61.02907	6.7
65.35388	1.7
67.05496	10.4
68.99773	3.1
69.03421	36.7
69.07039	7.8
71.04989	9.3
71.63462	2.8
73.02914	9.0
79.05487	15.7
81.03407	31.1
81.07041	28.6
83.04979	4.5
83.08604	6.7
85.02895	64.7
87.00819	30.1
89.09586	1.5
91.05457	17.0
93.07034	30.1
95.04958	9.4
95.08591	41.5
95.57350	1.7
97.02877	43.8
97.06516	6.5
99.04450	17.4
99.08073	13.3
105.01853	18.3
105.07016	48.7
107.04952	3.8
107.08580	57.3
107.14554	1.4
109.02866	28.5
109.06513	9.5
109.10156	19.2
111.04437	9.2
111.08033	3.2
115.03923	9.2
115.05414	2.2
117.01826	3.2
117.07005	12.1
119.08561	100.0
121.06473	23.4
121.10126	36.1
123.08046	5.5
123.11697	7.1
125.05949	2.7
125.09669	1.9
127.03895	51.1
127.07519	4.5
128.06186	2.1
129.01830	4.3
129.05504	3.4
129.07001	6.5
131.08548	49.5
133.06473	5.4
133.10106	51.6
135.04367	2.3
135.08064	12.6
135.11662	22.7
137.05962	8.6
137.09622	4.3
139.07529	3.4
141.06976	2.1
142.07777	4.8
143.08540	20.4
144.09348	2.6
145.04958	17.4
145.06444	3.5
145.10097	64.1
147.02925	2.8
147.08029	20.6
147.11665	53.4
149.05977	3.3
149.09605	6.1
149.13220	8.8
151.07487	3.9
151.11223	2.0
155.07294	1.9
155.08571	6.8
156.09332	5.8
157.10109	26.0
158.10887	4.6
158.58377	1.8
159.02895	15.4
159.08032	8.8
159.11673	50.0
161.09593	19.1
161.13223	31.4
163.07541	6.9
163.11169	7.2
163.14824	8.3
167.08551	3.1
168.09270	2.6
169.10114	8.9
170.10889	3.0
171.08023	2.4
171.11681	28.7
172.12311	2.7
173.09615	10.6
173.13226	50.4
175.07523	1.9
175.11159	13.3
175.14801	24.3
177.09096	6.1
177.12703	8.8
177.16360	4.3
179.14267	5.9
181.10127	4.5
183.11647	19.4
184.08775	1.7
185.09596	6.4
185.13225	41.6
187.11209	16.3
187.14793	84.8
189.12715	67.1
189.16321	17.1
191.14220	8.0
192.98116	1.7
195.11650	5.4
197.13249	9.7
199.11095	10.6
199.14796	27.9
200.11627	1.8
201.12712	21.9
201.16353	52.2
203.10573	2.6
203.14261	20.7
203.17958	7.3
205.12218	16.0
205.15858	3.4
205.19576	1.8
207.11855	2.5
207.13820	5.3
209.13199	4.9
211.11273	3.1
211.14783	9.3
213.03879	10.3
213.12798	10.3
213.16357	14.7
215.14284	48.8
215.17804	4.2
216.71135	2.0
217.12306	6.0
217.15829	4.5
219.13780	15.3
219.17368	6.0
221.13272	2.0
221.15353	2.9
223.14848	4.9
225.12711	2.4
225.16376	4.1
227.14297	5.4
227.17908	4.4
229.15862	6.4
229.19350	2.9
231.04977	7.5
231.13815	6.4
233.15445	6.3
235.12985	3.4
237.14590	3.3
237.16603	3.9
239.14348	2.9
239.17993	6.0
241.15855	3.5
241.19592	4.5
243.17477	2.6
245.15393	12.5
247.16882	5.3
249.14645	3.3
249.45264	2.0
253.19484	2.7
255.17760	1.7
255.20874	3.3
259.16965	3.2
267.17389	2.4
267.21045	1.8
277.19431	2.0
279.17401	2.4
279.21054	2.5
285.18469	2.6
291.21005	2.2
303.21173	2.2
307.24146	2.2
319.20441	2.3
321.22107	1.7
323.27448	1.7
333.25671	2.5
335.23627	4.0
347.23425	2.3
353.24576	3.1
365.24731	4.0
371.26898	3.4
373.28928	2.3
383.25729	1.9
389.28375	27.5
391.29865	6.5
401.28360	9.1
407.29388	65.5
409.31143	4.3
417.27872	4.3
419.29425	39.8
421.30850	4.1
425.30453	24.7
435.28891	39.2
437.30435	48.2
439.32159	1.8
447.28973	10.3
453.29950	90.1
454.30237	2.1
455.31512	38.1
465.29956	51.1
471.30984	60.8
473.32602	23.7
483.31003	72.8
484.31265	2.2
501.32123	56.7
519.33197	43.0
591.31915	2.1
609.34015	3.3
637.34119	1.8
683.33850	3.2
685.35559	3.5
695.34125	3.5
713.34448	4.3
731.35980	3.6
778.09937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01655	0.8
55.01865	9.7
55.05503	9.3
57.03428	6.5
57.07067	1.8
59.04993	1.3
61.02911	6.2
65.03926	2.0
67.05165	0.9
67.05497	12.4
68.99794	4.1
69.03419	36.1
69.07055	9.7
71.01329	1.9
71.04986	6.2
71.61497	1.8
73.02899	8.6
73.85792	0.7
77.03906	1.0
79.05476	17.3
81.03407	35.4
81.07044	26.9
83.01313	1.2
83.04966	5.2
83.08607	7.8
85.02891	68.5
85.06548	2.0
87.00818	29.9
87.04462	2.0
91.03922	1.8
91.05460	21.5
93.07027	34.1
95.04947	6.9
95.08593	39.2
97.02878	42.6
97.06509	5.1
97.10151	2.6
99.03813	1.1
99.04440	15.8
99.08070	15.2
103.05460	1.3
105.01852	16.0
105.07012	53.8
107.04239	0.8
107.04931	4.4
107.08577	60.7
108.04476	1.4
108.08855	0.8
109.02863	29.8
109.06499	10.1
109.10139	18.6
111.04399	6.7
111.08027	2.3
113.05978	1.9
115.03918	10.0
115.05425	2.1
117.01830	4.9
117.06995	12.0
119.04902	1.2
119.08560	100.0
120.08884	0.9
121.06495	19.7
121.10122	34.1
123.04413	1.4
123.08046	6.1
123.11682	7.3
125.05939	2.3
127.03894	41.2
127.07532	2.0
128.06183	3.0
129.01811	3.5
129.05438	2.2
129.06972	7.9
130.07750	2.3
131.08548	50.2
133.06487	6.4
133.10109	50.3
135.04340	1.1
135.08034	14.1
135.11674	27.6
137.05931	7.3
137.09605	2.9
137.13248	1.9
139.07509	1.9
141.06966	2.4
142.07780	4.1
143.08536	23.1
144.09280	2.6
145.04950	12.8
145.06418	4.8
145.10101	68.9
146.07205	0.9
146.10533	1.1
147.02890	1.8
147.06879	1.6
147.08015	19.2
147.11664	49.4
148.11957	1.1
149.05927	2.7
149.09599	6.9
149.13242	11.8
151.07503	4.0
151.11102	1.4
153.06984	1.9
153.09055	1.6
154.07715	1.4
155.08525	8.6
156.09325	8.1
157.06506	1.8
157.10106	30.9
158.07271	1.8
158.10872	4.1
159.02885	14.9
159.08034	10.5
159.11667	54.9
160.08771	1.6
161.08264	1.1
161.09601	19.7
161.13234	24.9
161.86993	0.9
163.07547	4.2
163.11150	7.9
163.14766	9.0
165.06976	1.1
165.09142	1.8
165.12769	1.4
167.08530	1.7
168.09319	1.3
169.10120	12.1
170.10884	5.7
171.08003	3.6
171.11668	28.9
172.08810	2.4
172.12439	2.0
173.09590	11.2
173.13234	49.2
174.10361	1.4
174.13499	1.1
175.07538	2.2
175.11186	12.5
175.14801	20.3
177.03949	0.9
177.09064	3.8
177.12721	9.7
177.16335	4.3
179.08432	1.2
179.14252	5.8
181.10069	3.5
182.10912	2.4
183.10258	1.0
183.11665	19.4
184.12440	1.3
185.09622	6.0
185.13222	37.7
186.10294	2.3
187.07503	1.0
187.11198	15.4
187.14787	74.6
188.15115	1.8
189.09062	2.3
189.12717	53.6
189.16336	14.7
191.10634	2.3
191.14310	7.4
191.17926	2.0
193.10104	2.3
193.12050	1.4
193.15814	1.1
194.10762	1.3
195.11655	8.3
196.12454	1.2
197.09564	1.4
197.13231	12.4
198.13962	1.6
199.11142	8.8
199.14792	26.8
201.09448	0.8
201.12729	21.7
201.16351	45.3
203.14287	16.7
203.17876	7.0
205.12190	17.7
205.15862	3.4
207.11633	2.4
207.13742	5.1
207.17250	1.3
209.13242	7.4
210.13887	1.0
211.11391	1.6
211.14796	11.0
213.03947	7.9
213.12733	10.6
213.16331	11.4
215.14282	41.1
215.17859	3.0
216.14595	1.1
217.12250	4.3
217.15825	6.4
219.11769	2.0
219.13776	12.3
219.17384	3.7
221.13219	2.5
221.15372	2.3
223.14934	4.2
225.12749	2.9
225.16261	4.6
227.14307	7.3
227.17879	7.5
229.12219	1.5
229.15796	4.9
229.19469	1.6
231.05023	5.4
231.13705	5.1
231.17404	2.3
233.13293	1.3
233.15294	7.3
235.13057	1.4
235.16946	0.9
237.12646	1.5
237.14536	2.0
237.16414	3.1
239.14236	2.6
239.18050	3.9
241.15849	2.2
241.19507	2.2
243.17331	2.6
245.13087	1.7
245.15295	10.1
247.14757	1.9
247.16936	3.1
249.14539	5.1
251.14201	1.5
251.17879	3.6
253.16037	1.4
253.19527	3.4
255.13806	1.2
255.17328	1.3
255.20850	1.2
257.15308	1.4
259.16956	3.4
261.16437	1.6
263.17865	2.3
267.17432	2.3
267.21100	2.1
271.16800	2.0
273.18716	0.9
275.17795	1.6
277.19431	1.0
279.17426	1.1
279.21149	1.0
281.18942	0.9
281.22421	1.4
283.16623	1.0
285.18558	1.1
285.21872	1.5
289.15811	1.1
289.19119	1.0
291.20898	1.5
293.18744	1.4
293.22141	1.0
295.20395	1.4
301.19193	1.0
303.21198	1.2
305.22574	1.3
307.24289	2.3
309.25607	1.2
317.22565	1.3
319.20651	1.9
319.24130	1.8
325.25150	2.1
331.20508	1.5
333.21634	1.1
333.25638	1.3
335.23685	3.7
337.25241	1.2
345.25696	1.9
347.23694	1.9
353.24579	1.7
363.26743	2.0
365.24564	2.1
365.28595	1.5
371.27005	2.5
373.29007	1.2
379.26077	0.9
383.26483	1.2
389.28317	23.8
391.30142	5.2
395.30234	0.9
401.28354	7.5
403.29831	1.8
407.29391	44.4
408.29410	1.2
409.31271	4.1
417.27811	3.3
419.29385	26.3
421.30850	2.4
425.30469	16.8
429.27789	1.1
435.28894	27.5
436.29272	0.9
437.30457	36.6
439.31924	2.3
447.28931	7.5
453.29956	69.6
454.30289	2.0
455.31528	27.2
456.31607	1.4
465.29968	34.5
466.30151	1.1
467.31018	0.9
471.31000	44.1
472.31229	1.3
473.32550	19.1
483.30994	49.9
501.32034	39.4
502.32239	1.2
519.33105	31.5
520.33954	0.9
591.33160	1.2
609.33667	2.6
637.32697	1.0
649.33807	1.1
667.34497	1.8
677.32483	1.0
683.33978	2.2
685.35681	2.6
695.33661	2.5
703.36346	1.4
713.34564	2.6
731.36035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.3
55.05505	10.3
56.96555	1.8
57.03427	6.0
57.07060	2.5
61.02922	5.7
65.03922	1.7
67.05492	15.9
68.99793	1.9
69.03421	85.1
69.07066	12.8
69.07424	2.4
70.06567	2.4
70.90479	2.6
70.90811	3.8
71.04983	6.8
72.08150	2.0
73.02912	8.0
74.03996	1.6
74.64953	1.6
79.05484	13.4
81.03410	32.6
81.07051	31.7
83.04983	6.1
83.08605	7.4
85.02893	74.4
85.06538	3.3
87.00821	25.9
89.24003	2.0
91.05468	26.8
93.07031	28.9
93.18472	1.8
95.04956	15.7
95.08594	37.1
97.02876	38.4
97.06532	6.6
97.10162	2.4
98.20874	2.0
99.04444	57.1
99.08096	16.5
103.05460	2.3
105.01859	16.7
105.07014	57.7
107.04939	2.4
107.08578	57.9
108.08868	2.2
109.02863	35.7
109.06512	5.0
109.10140	25.8
109.46394	2.0
111.04431	9.1
111.08055	3.5
115.05486	1.8
117.01822	4.8
117.06976	11.9
119.08567	96.1
120.08917	1.8
121.06478	6.6
121.10132	30.0
123.04433	5.3
123.08050	7.2
123.11701	9.0
125.05992	2.9
127.03896	51.0
127.04776	3.0
128.06236	3.3
129.01813	3.4
129.06982	11.4
131.04863	2.7
131.08560	55.2
133.06487	6.4
133.10107	51.0
135.08070	8.9
135.11655	19.7
137.05975	8.2
137.09570	3.0
137.13234	2.3
139.03905	4.8
139.07571	3.6
141.06944	3.3
142.07770	5.7
143.08539	27.0
144.09328	4.1
144.62350	2.1
145.04947	14.3
145.06464	3.7
145.10104	84.8
147.04391	2.4
147.08044	11.8
147.11659	42.8
147.12764	2.8
149.05998	3.1
149.09593	4.3
149.13260	18.0
151.03886	3.1
151.07530	3.5
152.70146	1.7
153.05531	1.7
153.09067	2.6
155.08522	11.2
156.09326	6.6
157.06467	2.1
157.10104	38.8
158.10861	3.9
159.02843	14.0
159.08061	7.4
159.11673	59.3
161.06003	3.6
161.09613	12.0
161.13239	38.0
163.03908	4.3
163.07555	4.4
163.11150	5.9
163.14824	19.2
165.05516	1.6
165.06958	1.9
165.09006	2.1
167.07030	5.8
167.08554	5.1
168.09323	4.4
169.10117	20.0
170.10945	5.4
171.08017	1.9
171.11661	31.8
172.12354	3.0
173.04471	5.9
173.05850	1.8
173.09647	9.4
173.13245	62.5
175.07559	4.2
175.11172	13.8
175.14801	22.1
177.09122	5.9
177.12773	4.9
177.16365	7.8
179.14273	6.1
181.10152	6.5
182.10878	5.3
183.11656	33.5
185.09666	5.0
185.13232	45.3
185.14803	2.5
187.11211	8.2
187.14801	100.0
188.15228	2.3
189.09138	2.6
189.12712	39.1
189.16345	28.6
191.10687	5.0
191.14281	14.6
191.17953	3.3
193.12361	2.7
194.10765	2.1
195.11647	14.8
196.12291	1.9
197.13239	27.4
198.14072	1.8
199.11159	7.6
199.14769	34.7
201.12733	18.8
201.16360	57.5
203.10640	2.6
203.14285	27.2
203.17972	7.9
205.12186	10.8
205.14014	1.6
205.15904	6.6
207.11804	4.2
207.13843	5.1
209.13229	13.3
211.11281	2.2
211.14786	11.9
213.03952	3.5
213.12675	14.4
213.16379	14.8
215.14333	17.4
215.17996	3.9
217.15927	7.3
219.13765	13.9
219.17424	5.7
221.13313	5.8
221.15327	4.2
223.14795	6.9
225.16382	5.3
227.14293	8.7
227.17958	6.6
229.15936	8.0
229.19348	2.5
231.04994	5.3
231.13805	5.6
231.17432	2.8
233.13367	2.8
233.15378	12.0
235.14926	2.7
235.17043	2.5
237.12747	2.3
237.16568	4.6
239.14322	4.2
239.17979	4.2
241.15923	2.6
241.19392	3.1
243.17207	2.6
245.13116	2.7
245.15218	10.2
247.16972	12.1
249.14856	7.4
251.16055	2.7
251.18213	3.7
253.19582	3.6
255.17303	2.4
261.16360	2.8
265.18008	2.5
267.21039	2.7
275.17844	3.0
277.19604	3.6
279.17633	3.3
279.20975	2.3
289.19348	3.4
305.19131	1.8
305.22522	2.9
311.07712	2.1
317.22467	2.3
319.24268	3.0
321.25623	5.8
323.27319	4.4
335.23694	2.7
347.23459	4.3
353.24725	2.8
367.26294	30.2
371.27332	4.9
373.28931	4.8
377.28363	2.7
383.27295	8.0
389.28217	14.0
391.29883	7.6
397.05582	2.4
401.13141	2.3
401.28345	23.9
403.29886	8.3
407.29327	16.0
409.31107	5.0
414.95044	2.2
417.27945	6.7
419.29410	32.7
421.30978	22.6
425.30435	8.1
429.27899	13.4
435.28885	24.6
435.73813	1.9
437.30475	43.1
439.32120	21.8
447.28946	33.3
449.30347	2.3
453.29974	24.0
455.31589	31.9
465.29984	72.6
466.30402	2.8
471.31122	16.2
473.32318	11.6
483.31009	75.4
484.31329	2.8
501.32089	53.1
519.33124	8.2
695.34222	4.3
713.35260	5.5
785.29700	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	785.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.5
55.05504	37.6
55.05774	2.1
57.03426	6.6
57.07078	2.4
60.28156	1.4
61.02922	9.5
65.03921	1.4
67.05498	51.2
69.03423	14.2
69.07058	17.9
69.33498	3.1
69.33901	12.8
71.04978	4.4
71.08598	1.3
72.72019	1.5
73.02904	3.8
73.85019	1.2
74.22094	1.1
77.03955	1.4
79.05484	38.6
81.03416	14.4
81.07049	41.0
83.04983	7.0
83.08612	19.6
85.02905	9.5
85.06526	3.0
91.03950	4.5
91.05469	31.9
93.07030	33.4
95.04959	9.8
95.08596	32.2
97.02869	10.7
97.06511	5.1
97.10163	23.8
99.04465	1.9
99.08090	1.9
103.05466	2.2
105.07014	27.6
107.04912	6.8
107.08584	26.1
109.02855	3.4
109.06494	5.0
109.10138	15.8
111.08067	2.9
111.97269	1.6
115.05476	4.1
115.08361	1.5
117.07001	19.2
117.80256	1.4
119.08559	20.9
121.06482	3.3
121.10155	10.5
123.08060	5.1
123.11677	2.5
125.09609	18.1
127.03886	3.8
128.06216	4.0
129.05516	2.7
129.06990	19.7
130.07793	3.0
131.08549	19.6
133.06496	3.4
133.10114	14.5
135.08041	7.4
135.11656	7.7
137.09639	2.5
141.07004	9.7
142.07751	4.2
143.08545	18.2
145.04843	1.5
145.06480	4.1
145.10107	14.4
147.08047	2.8
147.11693	10.4
149.09589	4.1
149.13277	1.7
151.07486	2.0
153.06995	3.1
153.09093	3.3
154.07796	2.8
155.08553	16.4
156.09404	2.4
157.10132	14.8
159.08069	4.8
159.11656	13.5
161.09645	3.9
161.13268	5.0
163.11163	4.1
165.06973	2.3
167.08560	8.9
168.09300	1.6
169.10106	16.5
171.08084	3.3
171.10316	2.3
171.11665	12.9
173.04478	2.8
173.09601	3.5
173.11853	2.5
173.13286	4.7
175.14854	1.8
177.12720	2.1
179.08566	5.1
180.09393	2.5
181.10109	11.0
183.08104	2.5
183.11711	15.7
185.09587	4.0
185.13258	9.2
187.11194	1.9
187.13278	1.5
187.14856	4.0
189.11201	10.3
189.12717	1.9
191.08592	2.5
193.10194	5.6
195.11699	11.6
197.09578	2.4
197.13200	9.2
199.11198	2.5
199.14778	6.4
201.12711	3.0
203.17924	1.7
205.10222	2.9
207.11699	6.2
209.09613	2.0
209.13268	8.9
211.11299	2.3
211.14792	8.3
212.25822	1.6
213.12805	2.2
213.16367	2.6
219.11758	3.1
221.13269	5.8
222.47708	1.6
223.11235	2.5
223.14822	5.1
225.12846	2.2
225.16385	2.8
227.12619	10.8
227.17915	1.8
233.13246	3.3
235.14774	5.7
237.16405	4.8
239.14342	2.3
239.18010	3.5
241.19449	3.2
247.14723	3.2
249.16356	1.8
251.14351	1.8
251.17984	2.5
253.15831	1.8
253.19421	1.8
257.19046	2.4
259.20593	2.6
269.19037	2.2
271.20493	3.0
273.18494	5.7
273.21912	1.5
275.20035	4.5
277.19626	1.5
283.20673	2.1
285.21777	1.5
287.20227	2.0
291.19391	9.7
297.22073	1.8
299.20300	2.0
299.49887	1.4
309.21936	2.1
321.22208	1.5
323.20053	1.7
323.23694	2.4
324.78363	1.5
333.24600	1.7
335.19958	1.8
337.21530	2.0
365.23553	2.3
367.22446	2.0
377.28223	2.2
379.30069	7.4
395.29260	1.5
428.80334	1.6
459.27225	1.8
463.31772	1.6
479.31345	1.8
511.34296	2.8
513.36694	7.5
529.35284	2.4
531.38324	10.7
541.35101	3.9
549.39197	6.2
553.35083	2.5
554.35858	5.9
605.32898	2.4
605.41925	34.5
623.42981	100.0
624.42480	1.8
626.44489	3.1
749.45953	4.4
767.46820	5.9
785.48145	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	786.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.0
55.05503	11.1
57.03418	7.1
57.07055	2.3
60.01139	1.6
61.02911	4.9
65.58098	1.6
67.05506	12.2
68.99764	2.1
69.03423	23.9
69.07071	10.3
71.04964	5.6
71.61534	2.9
73.02906	5.2
79.05492	15.0
81.03407	24.4
81.07055	29.1
83.04967	5.2
83.08597	6.5
84.20326	1.7
85.02893	50.3
85.06515	2.7
86.09692	3.5
87.00821	18.6
91.05467	24.1
93.07043	30.3
95.04996	8.4
95.08595	34.4
96.08910	2.2
97.02879	21.6
97.06522	4.6
97.10130	2.8
98.03242	2.1
99.04456	12.0
99.08083	10.7
103.05466	2.2
105.01867	12.7
105.07022	50.1
106.07323	2.1
107.04945	3.8
107.08582	44.6
109.02874	23.1
109.06517	7.5
109.10141	17.0
109.89378	2.2
111.04365	2.3
111.08042	2.5
113.05955	2.1
117.07004	11.3
119.08562	73.0
120.08892	5.1
121.06522	9.3
121.10123	27.0
123.04369	3.4
123.08009	3.7
123.11667	4.5
125.05974	3.1
127.03903	32.6
129.01759	2.4
129.06992	7.6
131.08557	39.2
132.08859	2.2
133.06491	2.5
133.10117	45.1
135.08061	6.7
135.11688	18.8
137.05977	5.2
137.09572	3.0
139.03899	5.3
142.07780	3.2
143.08577	19.3
143.89795	2.0
145.04956	10.0
145.10112	54.0
146.10469	3.6
147.04398	3.3
147.08009	10.9
147.11679	36.1
148.12019	2.3
149.05965	2.5
149.09604	7.1
149.13223	10.8
151.03885	1.7
153.05397	2.3
155.08545	6.5
156.09320	5.1
157.10120	28.4
159.02840	10.9
159.08076	5.8
159.11665	40.9
160.12044	3.0
161.05882	2.0
161.09586	12.6
161.13237	24.2
162.13586	2.1
163.03883	3.5
163.07579	2.5
163.11168	5.7
163.14862	8.9
165.12715	1.9
167.07024	4.6
169.10106	10.4
170.10867	2.4
171.11659	19.1
172.12303	1.8
173.09619	4.8
173.13239	42.1
174.13583	2.6
175.11191	8.1
175.14812	26.8
176.11598	2.0
177.05455	2.5
177.12759	5.0
177.16357	6.5
179.03462	2.6
179.14241	1.8
181.10114	3.5
182.10857	2.1
183.11699	11.9
184.07335	5.8
185.09616	2.6
185.13246	33.4
187.11171	5.9
187.14798	61.9
188.15138	5.6
189.12746	45.7
189.16370	13.2
190.13062	2.5
191.14276	9.7
191.17914	8.2
193.15712	3.1
195.11671	3.5
197.13255	12.2
199.14787	28.0
201.12694	6.5
201.16362	42.9
202.16722	3.4
203.14296	36.7
203.17926	24.5
205.12126	2.9
205.15869	4.8
207.13730	12.3
209.13205	5.1
211.11137	2.3
211.14777	12.4
213.03978	2.5
213.12839	3.2
213.16374	14.6
215.14316	21.7
215.17909	5.6
216.14629	3.0
217.15900	11.2
219.13771	8.3
219.17445	7.9
221.15311	20.6
223.14763	3.4
225.16428	3.7
227.14384	3.1
227.17868	3.6
229.15894	9.2
229.19463	3.5
230.11684	5.1
231.04953	7.1
231.17374	2.8
233.15363	5.7
235.16936	2.8
237.14767	5.3
239.18127	3.8
241.15677	2.0
241.19449	4.1
245.15393	5.4
247.16870	9.9
249.14644	3.5
253.19508	3.6
255.17339	3.0
265.19681	2.2
299.19904	3.1
331.08252	2.3
331.23944	1.8
337.25308	3.0
349.25269	3.4
367.26089	2.2
369.49197	2.0
373.28796	4.5
385.28543	3.1
391.29852	19.1
393.31381	4.6
403.29993	19.6
405.31427	4.6
409.30994	22.8
419.29391	6.2
421.30963	31.6
423.32449	3.2
431.29477	5.1
437.30438	41.9
438.31174	2.9
439.31985	26.2
441.33478	6.6
449.30438	17.9
454.30231	3.5
455.31503	76.1
456.31808	6.9
457.32977	22.6
467.31500	45.2
468.31509	2.4
472.31314	2.2
473.31665	3.8
475.33572	5.2
485.32568	100.0
486.32986	3.3
496.33887	4.2
503.33673	83.0
504.34421	3.1
520.20410	1.9
520.34039	2.5
521.34601	27.3
617.19208	2.0
635.20947	3.6
697.35632	3.5
715.36218	3.2
733.37726	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	786.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.9
55.05506	7.6
57.03422	5.8
61.02914	4.6
65.03935	1.6
67.05495	13.4
68.99765	2.1
69.03421	22.2
69.07069	10.6
69.37425	14.1
70.06582	14.6
71.01329	1.4
71.04981	7.2
71.25224	1.3
72.08138	1.7
73.02898	5.5
79.05473	13.0
81.03408	23.3
81.07045	32.8
83.04961	2.8
83.08607	4.6
84.04484	1.8
85.02896	57.9
85.06554	1.4
85.67542	1.6
87.00815	24.2
87.05596	1.6
91.03931	3.3
91.05476	17.8
93.07034	31.8
95.04957	7.0
95.08600	47.7
97.02880	35.5
97.06519	7.9
97.10168	2.5
99.04449	12.1
103.05453	1.7
105.01846	27.5
105.07017	57.0
106.07312	1.5
107.04914	1.9
107.08583	46.1
108.04450	2.0
109.02863	26.2
109.06519	5.2
109.10144	22.7
111.08083	7.0
115.03884	1.8
117.01820	2.7
117.06974	9.6
119.08570	66.8
121.06487	5.8
121.10126	30.8
123.04367	3.1
123.08038	7.3
123.11700	5.2
125.09614	11.6
127.03899	49.3
128.06210	3.3
129.01788	2.5
129.06984	6.3
130.07739	1.7
131.07564	2.3
131.08549	45.8
133.06586	1.8
133.10115	45.5
135.08032	6.8
135.11691	15.6
136.07607	2.0
137.05962	3.1
137.09622	5.3
139.03906	2.4
140.10696	2.0
141.06935	1.8
142.07773	6.3
143.08549	25.6
144.09320	2.8
145.04941	18.1
145.10104	70.8
147.04390	2.2
147.07999	4.3
147.11685	31.9
149.09592	7.0
149.13246	11.1
151.03941	1.8
151.11127	3.3
153.01768	1.6
155.08572	4.3
156.09309	5.9
157.10106	38.6
158.10852	3.1
159.02892	13.4
159.08057	2.3
159.11685	61.0
159.13014	3.6
160.12048	2.2
161.09592	7.4
161.13231	34.7
162.12254	1.4
163.07481	1.9
163.11189	5.7
163.14815	13.4
165.12773	2.2
167.10611	2.1
169.10095	9.9
170.10857	6.5
170.61880	1.5
171.11665	29.4
173.04501	2.8
173.13242	71.3
174.13576	1.7
175.11166	6.9
175.14801	33.2
175.16241	2.6
177.12674	8.3
177.16418	7.9
179.08470	2.5
179.14290	2.7
181.12421	2.0
183.11661	13.9
183.29794	1.6
184.12416	2.5
185.13240	43.0
187.11206	3.2
187.14803	65.5
189.12695	9.2
189.16368	22.9
191.14272	47.2
191.17857	1.6
193.12251	2.2
193.15895	6.8
195.11740	2.9
197.13210	11.0
199.14799	64.7
200.15198	3.1
201.12694	4.3
201.16379	31.2
203.14308	36.0
203.17993	5.1
205.15843	18.6
207.17426	1.9
209.13213	3.7
211.14778	6.7
213.03952	6.2
213.12547	4.0
213.16316	12.2
215.14294	7.0
215.17850	7.3
217.15840	28.1
219.13802	1.8
219.17325	8.3
221.15340	51.0
223.14822	3.2
223.16974	6.0
225.16321	4.2
226.12048	1.6
227.14270	2.7
227.17949	4.9
229.15866	6.3
229.19536	3.0
231.04953	10.4
231.13815	2.2
231.17450	4.2
233.15381	5.7
233.18993	2.8
235.16882	4.9
237.16507	2.3
239.16125	9.9
241.19493	3.2
243.17384	3.7
245.15327	16.3
245.19090	2.8
247.17024	3.4
249.06026	3.1
249.18523	2.4
251.17896	1.7
253.19479	3.6
257.19107	2.4
261.14716	2.9
263.16370	6.7
275.16479	2.3
285.22205	1.7
287.05435	3.2
293.22540	2.1
303.04886	2.2
373.28958	2.2
379.03622	1.8
385.28766	2.4
389.18427	5.0
390.39236	1.6
391.29852	6.8
403.29947	19.3
405.31436	4.4
409.31427	9.7
419.29364	4.7
421.30969	40.6
422.31161	2.1
423.32568	13.4
431.29370	5.7
437.30402	12.5
439.32016	59.0
440.32370	2.7
441.33582	30.6
449.30457	28.4
450.29773	1.7
455.31512	7.9
457.33072	54.9
458.33365	2.4
467.31561	78.9
468.31769	4.2
485.32550	100.0
486.32654	6.3
503.33698	14.8
547.26385	2.2
575.26343	6.3
651.35413	2.2
669.35754	2.6
687.36310	2.3
697.35815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.6
57.82064	0.4
65.03947	0.6
67.05498	1.6
69.03421	1.2
75.55817	0.4
79.05480	1.0
80.05007	0.7
81.03400	1.8
81.07038	1.8
85.02895	1.0
86.20875	0.4
91.05470	1.8
92.05033	0.4
93.05779	0.9
93.07050	1.5
94.06555	4.2
95.04973	0.9
95.07331	1.1
95.08580	0.6
96.08134	2.1
97.02888	0.6
103.05420	0.7
105.07020	0.9
106.06562	1.1
107.07337	0.7
107.08597	0.9
108.04483	1.2
108.08109	8.2
110.09679	2.5
116.04971	0.7
118.06519	1.1
119.08588	0.7
120.04455	2.5
120.08067	5.6
122.06017	5.5
122.09680	1.3
123.04431	0.8
124.07578	1.6
127.03886	0.9
129.06989	0.5
134.06023	2.0
136.07571	7.0
138.05460	0.7
138.09119	5.5
139.03902	3.5
144.04474	1.6
146.05986	7.0
148.07559	4.3
150.09157	2.2
157.10156	0.6
160.03928	2.1
162.05464	1.5
163.03992	0.7
164.07071	0.8
166.08627	3.5
170.09669	0.5
172.03905	5.3
172.07564	1.1
174.05501	2.8
176.07068	1.0
178.04816	0.7
182.09666	0.6
184.09946	0.6
186.05510	1.1
190.04994	5.8
197.10718	1.2
199.12308	1.7
204.06508	0.7
207.09282	0.6
209.10680	1.1
210.11737	0.5
211.08656	0.8
211.12300	0.7
212.09497	1.5
213.10205	0.8
219.08412	0.5
223.12364	1.1
225.10211	5.3
226.11023	1.0
227.11765	10.6
229.84422	0.5
235.08681	0.7
236.09502	0.6
237.10150	2.3
238.11061	1.4
239.11766	3.2
241.13364	1.1
245.04341	0.6
245.12964	0.7
248.09413	0.9
249.10358	1.0
250.11005	0.5
251.08118	0.5
251.11798	3.1
252.09087	0.5
253.09726	3.6
253.13551	0.9
255.11208	2.2
257.12854	0.8
259.12286	1.1
263.08273	1.4
264.08917	0.9
264.12610	0.5
265.09756	1.9
266.10526	0.7
267.11288	2.9
269.12769	3.9
271.10730	3.3
273.12390	2.0
277.09836	1.5
279.11276	5.7
281.09708	0.5
281.12918	1.5
283.10977	1.4
285.09729	0.7
285.12442	1.4
287.14139	0.5
291.11270	0.7
293.13229	0.6
295.10754	1.1
297.12292	3.6
300.14880	0.5
301.12418	0.6
302.12961	0.7
303.10873	0.9
307.10818	1.8
309.12430	0.8
313.13135	0.8
314.13287	0.7
315.14084	0.5
316.14487	0.7
317.15302	0.6
321.12457	0.9
323.10480	0.7
325.11728	3.0
326.13010	1.0
327.13724	1.2
328.10880	1.8
328.14523	1.3
329.11536	1.7
329.15234	1.5
330.12436	1.0
330.16061	1.5
339.13531	0.8
340.14667	0.9
341.15265	0.7
342.12387	4.2
342.16193	1.2
343.12946	3.6
344.13922	1.5
352.14505	0.8
353.15121	0.5
354.12424	0.6
354.16248	0.9
355.13297	1.3
356.13931	3.6
357.14752	2.0
358.15433	4.7
365.11493	0.5
366.16287	0.5
368.13889	1.4
369.14716	0.7
370.11557	0.8
370.15625	2.9
371.16248	0.7
372.17175	1.3
380.14069	0.8
381.14297	0.8
382.11728	1.1
382.16058	0.7
385.14056	0.8
386.14905	2.5
386.19135	0.5
387.15829	0.6
388.16718	0.6
394.15482	1.3
395.16211	0.6
396.17542	0.5
397.14316	0.7
398.14902	9.4
399.15680	5.1
400.16614	2.1
402.14423	0.7
404.16501	0.7
412.16861	1.4
413.17233	0.7
414.18277	2.1
416.16101	3.0
417.16898	1.5
418.17700	0.5
422.15051	0.8
428.15768	0.9
430.17508	0.7
431.18900	0.6
440.16119	2.3
441.16736	0.9
442.17484	0.7
446.17279	0.7
458.17276	1.9
472.18692	0.8
482.17114	0.7
488.18005	0.7
500.18448	1.5
514.19781	0.7
530.19861	0.8
534.22296	0.9
542.19324	0.9
548.20184	0.8
551.23279	0.8
554.19409	0.6
558.22589	0.9
560.20294	3.1
565.24518	0.6
566.19110	1.0
572.20386	1.2
576.09021	0.9
584.20367	1.6
590.21631	1.4
593.24255	1.1
602.21136	4.8
611.25006	0.7
653.25732	0.9
685.28357	0.5
691.27649	1.1
701.26758	0.6
709.28528	1.1
711.30518	3.7
713.27911	5.3
719.26904	2.4
727.29565	3.2
737.28180	3.7
755.29102	100.0
756.29437	3.8
787.30444	4.0
787.43286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05510	0.6
55.83377	0.4
56.96556	0.5
57.03413	0.7
60.84258	0.4
65.03923	1.1
65.57985	0.4
67.05486	1.3
69.03417	2.0
69.07072	0.6
69.46238	4.3
71.04955	0.6
71.76192	0.5
79.05481	1.8
80.05016	1.2
81.03413	3.3
81.07025	1.1
82.06579	0.5
83.04973	0.6
85.02885	2.6
91.05474	2.1
93.05775	1.4
93.07030	1.9
94.06565	5.5
95.04965	1.4
95.07345	0.7
95.08601	1.3
96.08117	2.5
97.02890	2.1
97.06480	0.5
99.04485	0.9
101.47754	0.4
103.05460	1.2
105.07010	1.4
106.06520	1.0
107.07345	1.6
107.08569	1.1
108.04474	1.8
108.08110	8.8
109.02867	1.9
109.06470	0.6
109.10159	0.8
110.09660	4.0
115.03914	0.5
116.04961	1.7
118.06537	1.1
119.08562	1.2
120.04457	3.9
120.08087	7.2
120.08910	0.6
121.08911	0.5
121.10171	0.4
121.50066	0.4
122.05996	5.3
122.09654	3.0
123.04439	1.1
124.07619	2.6
127.03911	1.9
129.06981	0.9
131.08531	0.6
132.08098	0.5
133.10081	0.8
134.05988	2.3
134.09645	0.5
135.04449	0.6
135.11621	0.6
136.07565	9.0
137.06001	0.6
138.05542	0.9
138.09126	7.0
139.03891	2.7
143.08536	0.5
144.04463	1.7
144.08055	0.4
145.04962	0.6
145.10118	0.6
146.05992	8.9
147.04411	0.6
147.11745	0.5
148.07539	5.1
149.08510	0.4
150.05547	0.7
150.09166	2.0
151.03874	0.7
151.07478	0.7
152.07031	0.7
153.01791	0.7
153.05531	0.7
156.08058	0.6
157.10037	0.5
158.05991	0.9
158.09595	0.5
159.11661	0.7
160.03958	2.4
160.07558	0.8
161.05943	0.5
162.05524	1.5
163.03915	1.4
164.07040	0.8
166.08627	5.3
167.07054	1.3
171.06752	0.4
172.03912	6.2
172.07584	1.0
174.05489	3.1
176.07123	1.3
177.05418	0.9
181.04918	0.8
181.08803	0.7
182.09695	1.1
183.09158	0.6
186.05518	1.3
190.04973	7.9
196.09879	0.7
197.10808	1.4
198.09251	0.6
198.11490	0.7
199.08582	0.9
199.12299	1.6
204.06535	1.3
209.10698	0.6
210.09164	1.4
210.11388	0.7
211.08675	1.6
211.12306	1.2
212.09464	1.4
213.10277	0.7
221.10895	0.6
223.08679	1.2
223.12418	0.9
224.09346	0.9
225.10191	5.9
226.11052	0.9
227.11746	10.5
227.13853	0.8
229.13370	0.7
235.08690	0.9
236.09485	1.5
237.10196	3.6
238.11046	1.9
239.11813	2.6
240.12610	0.6
241.13412	0.9
243.11316	0.8
245.04512	1.3
245.12927	0.9
249.10092	2.4
250.11122	0.8
251.08130	0.6
251.11815	4.5
252.12616	0.6
253.09734	3.9
253.13332	1.5
255.11247	3.3
257.12921	0.9
261.10248	0.8
263.08267	1.6
263.11847	1.1
264.08994	1.8
265.09720	3.3
266.10565	1.3
267.11185	3.6
269.12820	4.3
271.10706	3.1
273.12405	2.0
274.10849	0.6
277.09741	1.6
278.10504	0.6
279.11255	5.6
281.09222	0.5
281.12869	1.4
283.10907	1.0
284.11505	0.6
285.12433	2.5
291.11298	1.3
293.09207	0.7
293.12894	0.5
295.10864	1.9
297.12210	3.9
299.13983	1.3
302.13040	0.7
305.09082	0.7
307.10751	1.9
309.12427	1.0
311.13940	0.8
312.15192	0.7
313.12476	1.7
314.12946	1.2
315.13727	0.9
316.14529	1.0
319.10788	0.5
321.12311	0.7
323.10349	1.3
323.13785	0.8
324.15045	0.7
325.11774	4.0
326.12888	0.8
326.16626	0.6
327.13812	1.4
328.10895	1.1
328.14590	1.7
329.11716	1.3
329.15198	1.6
330.12494	1.1
330.16110	1.8
337.12085	0.6
339.13699	1.8
340.14719	0.7
341.15604	0.5
342.12415	4.1
342.16089	1.6
343.13055	2.8
344.13998	1.5
346.15625	0.6
352.14471	1.6
353.15347	0.8
354.12357	1.0
354.16180	1.7
355.13333	2.0
356.13943	4.6
356.17853	0.7
357.14801	1.6
358.15402	4.9
365.11261	0.8
366.16000	1.1
367.13522	1.4
368.13837	1.0
369.14676	1.3
370.11636	0.7
370.15515	3.2
371.16290	0.8
372.17212	1.8
380.13788	1.5
382.11826	1.6
382.15961	0.8
383.12604	0.9
384.13257	1.2
385.14337	1.3
386.14706	3.6
388.16675	0.8
394.15558	1.5
395.16217	1.3
397.14105	0.8
398.14847	9.7
399.15784	5.5
400.16586	2.9
401.15958	0.8
402.14536	0.8
404.16174	1.3
410.15305	0.5
412.16705	1.6
413.17477	1.1
414.18152	2.3
416.15784	3.5
416.20752	0.4
417.16879	1.4
418.17700	0.6
422.15067	1.3
428.16129	1.6
430.17413	0.9
439.14850	0.8
440.16080	2.8
441.16534	0.9
442.17719	0.9
446.16818	0.5
458.16806	2.6
459.18088	0.8
467.14963	0.9
472.18317	0.7
482.17517	0.7
488.18848	0.7
500.18524	1.6
502.20132	0.7
505.22525	0.5
514.19629	0.8
522.22260	0.8
523.23590	0.7
530.19470	0.6
532.20886	0.6
534.22595	0.8
542.19336	1.3
548.19788	1.0
551.22778	0.9
554.19537	1.3
558.22052	0.9
560.20337	5.5
566.19409	1.5
572.20007	2.6
574.21985	0.7
584.19885	2.1
590.21216	2.4
593.23969	1.7
602.21313	5.9
611.24835	1.0
620.22565	1.1
632.22382	0.6
653.25958	1.5
664.24707	0.8
667.28528	0.5
673.26569	1.1
691.27069	2.1
695.26947	0.6
701.25928	0.6
709.28656	1.8
711.30426	4.7
713.28009	6.1
714.28027	0.6
719.27112	2.7
727.29852	4.8
737.28094	5.8
755.29077	100.0
756.30042	2.7
770.29144	1.2
787.32281	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05505	67.3
57.03427	2.5
57.07061	2.6
59.04985	1.3
61.94929	0.6
65.03927	1.5
67.05499	12.7
69.03416	2.2
69.07059	12.0
70.74448	2.2
71.01349	4.2
71.04979	1.2
73.02905	6.1
75.04482	0.8
79.05479	9.8
81.03401	2.4
81.07050	22.5
83.04971	100.0
83.08611	4.5
84.05334	0.8
85.02894	16.5
91.05468	18.3
93.07035	23.9
95.01312	4.8
95.04958	6.7
95.08595	30.1
97.02887	0.9
97.06519	2.2
97.10147	2.4
99.00805	1.2
101.02353	1.4
103.03957	1.3
103.05458	1.5
105.07021	25.1
107.04975	1.0
107.08582	41.1
109.06519	3.9
109.10142	18.7
109.10883	0.9
111.08073	2.1
111.11669	0.9
113.02354	5.1
114.38954	0.7
115.05441	1.9
117.07021	5.5
119.08572	32.7
121.06504	2.3
121.10132	31.9
123.08073	3.8
123.11698	11.3
125.09673	1.2
128.06224	2.6
129.06976	6.1
130.07764	1.7
131.03398	5.5
131.04842	0.7
131.08556	21.8
133.06490	2.0
133.10115	27.2
135.08063	2.9
135.11676	20.9
137.09612	1.2
137.13246	4.3
141.01830	8.8
141.06947	3.5
142.07774	3.2
143.08539	11.8
144.09343	1.3
145.06508	3.0
145.10101	22.1
147.08025	7.6
147.11667	16.8
149.05962	2.2
149.09604	10.5
149.13239	8.9
151.11183	1.2
151.14836	1.1
153.07019	1.7
154.07805	1.0
155.08557	7.2
156.09273	4.5
157.06512	1.6
157.10121	16.4
158.07262	1.6
158.10876	2.4
159.02870	1.7
159.08035	13.2
159.11681	17.6
160.08762	1.0
160.12317	0.9
161.09598	5.3
161.13242	10.5
163.07547	1.4
163.11168	4.6
163.14803	5.6
165.06987	1.8
165.12715	0.7
167.08595	3.0
168.09380	1.7
169.06462	0.9
169.10094	8.9
170.10875	5.2
171.08054	6.7
171.11658	13.3
172.08849	2.0
172.12215	1.2
173.09578	6.6
173.13251	12.7
175.07594	2.4
175.11234	4.2
175.14810	9.5
177.09125	1.4
177.12822	1.3
177.16367	2.3
179.08537	1.1
180.09351	2.2
181.10092	4.2
182.10921	2.5
183.08067	2.7
183.11665	8.2
184.07365	0.8
184.08856	2.7
185.09644	6.6
185.13229	15.2
186.10356	6.2
186.13942	0.8
187.07689	1.8
187.11148	7.2
187.14781	10.1
189.09129	1.5
189.12733	3.5
189.16357	27.8
191.10602	0.7
191.17938	15.1
192.09337	1.0
193.10095	3.8
194.10826	1.1
195.08141	1.1
195.11661	5.3
196.12451	1.8
197.09602	4.0
197.13252	11.0
198.10394	4.7
199.11166	19.0
199.14778	7.4
200.11893	1.6
201.09128	2.2
201.12727	21.2
201.16351	10.1
203.10725	1.5
203.14270	4.9
203.17929	9.3
205.12096	0.8
207.11726	4.0
207.17453	0.9
208.12428	1.9
209.09692	1.3
209.13252	4.9
210.10367	1.9
211.11157	5.3
211.14822	4.0
213.12720	34.8
213.16386	3.9
214.13229	1.4
214.17093	1.0
215.10747	3.1
215.14296	25.4
215.17856	7.1
216.14774	1.1
217.12244	8.4
217.15909	2.2
217.19470	6.0
219.11847	1.3
219.13870	1.9
219.17471	0.9
221.13240	3.3
222.14095	1.1
223.11180	2.0
223.14833	5.7
224.11882	1.0
225.12743	8.9
225.16385	4.0
227.14357	5.1
227.17860	4.1
229.12254	3.9
229.15892	2.4
229.19455	3.6
231.09071	1.2
231.13751	23.1
231.17310	1.2
233.13339	1.1
233.15370	1.3
234.13992	1.2
235.14835	2.3
236.15565	1.2
237.12752	1.4
237.16306	6.4
238.17194	0.9
239.14259	2.2
239.17982	5.2
241.12282	1.1
241.15807	3.4
241.19487	3.7
243.13786	39.7
243.17580	1.5
244.14105	1.1
245.04420	0.9
245.15398	3.9
249.16402	6.2
251.14345	2.3
251.17961	5.1
253.15895	4.4
253.19458	4.3
255.13817	1.2
255.17361	3.7
255.21085	3.9
257.10638	2.1
257.15414	1.1
257.22690	4.7
261.14767	16.7
263.16406	2.5
265.15848	3.7
265.19556	2.3
267.17426	6.6
267.20914	0.9
269.10587	6.8
269.15494	0.7
269.19006	4.0
271.16797	1.5
271.20624	1.2
273.14941	2.9
275.11716	2.0
275.17865	0.9
277.16022	0.8
277.19504	1.5
279.17413	2.2
279.20892	1.3
281.19009	3.3
283.20520	1.5
287.11624	3.8
289.19650	1.0
291.21100	2.2
292.12408	1.2
293.18961	1.9
295.20499	1.0
297.18643	1.7
301.13199	4.4
301.19107	0.9
303.15900	8.4
305.22577	1.6
307.20538	1.7
309.18420	1.1
309.22018	0.8
311.20084	1.4
313.17969	1.5
317.22559	1.1
319.20868	1.3
319.24017	1.3
335.23715	1.8
343.18994	10.6
345.25903	1.5
347.23770	1.8
361.20090	6.8
361.29065	1.2
375.30478	22.0
379.30008	1.0
385.28879	2.4
387.30478	7.1
393.31519	4.0
403.21649	4.3
403.29889	17.9
404.30484	0.9
405.31473	13.1
411.25449	0.8
415.29953	8.0
421.30972	12.2
423.32703	3.0
433.30988	24.1
439.32419	0.9
444.87726	0.8
451.32059	12.5
463.32025	1.7
465.33267	1.2
469.33148	0.8
493.26999	0.9
493.33557	4.3
533.28717	0.9
533.35638	3.8
551.37585	1.3
569.34644	8.9
573.34027	1.1
579.32916	3.6
581.34766	4.0
593.37732	0.9
596.89862	0.7
597.34106	20.9
598.34369	0.9
599.35266	3.9
609.34100	2.5
615.25226	1.1
615.35168	19.7
627.34998	4.3
639.34918	2.6
645.36230	3.2
657.36072	7.1
687.37262	4.9
727.39972	1.0
755.43750	4.3
787.42908	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	787.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05505	69.6
56.96568	1.5
57.03424	2.6
57.07066	2.9
59.04995	1.4
65.03951	1.6
65.48788	1.1
67.05497	10.8
69.03424	2.3
69.07057	11.9
70.15690	4.2
71.01351	4.4
71.04985	1.3
73.02917	5.6
79.05486	14.1
81.03409	1.7
81.07047	22.5
83.04972	100.0
83.08610	4.8
85.02898	17.4
85.06552	1.4
91.05469	19.1
93.07034	26.6
95.01349	4.0
95.04962	7.6
95.08596	31.7
96.64851	1.1
97.02877	2.5
97.06496	2.2
97.10193	3.0
103.03941	1.9
103.05464	2.4
105.07018	28.7
107.04941	2.2
107.08586	41.2
109.06515	3.3
109.10143	18.5
110.10544	1.2
111.08073	1.5
113.02360	5.8
115.05446	2.0
116.06205	1.4
117.07012	6.5
119.08564	35.4
120.08107	1.4
121.06483	3.6
121.09292	2.5
121.10132	30.0
123.04453	2.3
123.08067	2.8
123.11697	10.4
125.09622	1.1
127.03928	2.1
128.06209	3.4
129.06978	6.5
130.07787	2.5
131.03383	4.8
131.08553	21.3
133.10118	24.8
135.04411	1.7
135.08047	3.2
135.11678	20.6
136.07564	1.7
137.05962	2.5
137.09610	2.7
137.13223	3.3
139.03897	7.1
141.01811	8.1
141.06989	3.5
142.07777	4.6
143.08536	11.7
145.05478	1.2
145.06520	3.3
145.10106	22.3
147.08043	7.8
147.11668	15.5
149.06023	2.8
149.09608	10.1
149.13219	8.0
151.11176	1.7
153.06979	1.8
155.08499	8.6
156.09352	4.8
157.10115	19.2
158.07242	2.6
158.10896	1.4
159.02820	1.5
159.08063	10.7
159.11681	18.0
160.08696	1.5
160.41541	1.1
161.09639	7.5
161.13232	12.2
163.03900	2.4
163.07561	3.1
163.11168	4.5
163.14775	6.2
165.05661	1.2
165.07030	2.0
167.07069	1.1
167.08524	4.3
168.09378	1.6
169.06346	1.2
169.10146	9.5
170.10901	5.6
171.08058	6.3
171.11658	11.8
172.08873	1.4
172.12526	1.1
173.09595	9.0
173.13229	11.5
174.10321	1.4
175.07550	3.3
175.11174	5.2
175.14810	11.4
177.12772	1.6
177.16356	3.5
179.08566	2.5
180.09338	1.5
181.10136	3.9
182.10895	3.2
183.08044	4.8
183.11667	9.6
184.08830	2.6
185.09576	6.0
185.13248	17.5
186.10373	5.3
187.07533	1.5
187.11221	7.7
187.14804	14.7
189.09125	2.9
189.12741	3.4
189.16348	26.5
191.14253	1.8
191.17915	13.9
192.09349	1.4
193.10170	2.9
193.12315	1.2
195.11656	6.7
197.09599	4.5
197.13216	10.3
198.10402	4.7
198.13754	1.9
199.11172	23.5
199.14801	6.8
201.09132	1.8
201.12727	20.9
201.16321	8.2
203.10542	1.7
203.14249	6.4
203.17915	11.3
205.10367	1.2
207.11685	2.7
209.09689	2.0
209.13214	5.6
210.10260	1.7
210.13982	1.4
211.11166	4.0
211.14886	4.0
213.12718	34.0
213.16328	5.2
215.10681	3.2
215.14308	22.2
215.17755	7.9
217.12164	6.8
217.15865	4.1
217.19417	5.4
219.13715	1.9
219.17177	1.3
221.13217	2.9
222.13966	1.6
223.14856	4.4
225.12656	7.8
225.16400	5.2
227.14311	4.7
227.17947	4.1
229.12244	2.7
229.15907	2.0
229.19435	2.1
231.13765	23.1
231.17360	2.4
233.15463	2.7
235.14799	2.1
237.16342	6.8
239.14146	1.3
239.17938	5.2
241.15897	4.0
241.19530	3.2
243.13794	43.9
243.17508	2.7
245.04381	2.5
245.15379	4.8
249.07474	1.2
249.16423	4.6
251.17867	5.8
253.16020	4.1
253.19374	5.6
255.13864	1.5
255.17378	2.9
255.21001	3.6
257.15305	1.3
257.22705	5.5
261.14755	17.8
265.15909	2.2
265.19440	3.0
267.17429	4.1
269.19064	3.1
273.14804	2.2
279.17410	3.0
281.18890	2.4
283.20679	2.3
291.20944	2.8
293.18973	2.4
295.20450	1.4
297.18454	1.9
303.15900	9.4
307.20609	1.9
311.20145	2.0
317.22510	1.4
319.20486	3.3
319.24228	1.4
343.19000	11.2
345.25662	1.8
347.23553	1.7
361.20010	8.3
375.30493	20.8
385.28867	2.0
387.30472	8.7
393.31461	3.7
403.20975	4.3
403.29874	23.8
405.26736	1.4
405.31577	14.4
415.29901	7.1
421.31012	12.3
423.32239	3.5
433.31012	25.1
434.31284	1.6
439.31842	1.8
451.32132	11.7
465.33414	1.3
469.33145	1.8
483.28745	1.5
493.33249	5.0
507.66653	1.2
525.28229	1.3
533.36328	3.7
551.37341	2.7
569.34607	13.1
579.21222	1.5
579.32770	3.8
581.34558	3.7
593.38861	1.3
597.34229	19.3
599.35760	3.4
609.33655	2.3
615.35101	22.5
615.50739	1.5
627.34857	4.4
639.34625	2.9
645.36707	2.9
649.19086	3.9
657.36279	8.5
687.36975	3.9
755.29602	1.5
787.42743	13.5
818.53278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.0
55.05254	2.7
55.05504	31.7
57.03432	15.8
57.07069	3.3
59.65945	1.7
61.02924	9.4
65.03931	5.3
67.05496	85.5
69.03419	22.2
69.07059	39.3
71.04978	13.7
71.08648	2.0
71.64095	1.6
73.02903	5.4
79.05483	65.9
81.03406	42.7
81.03846	3.1
81.07049	100.0
83.04979	12.9
83.08612	18.4
85.02895	15.1
85.06525	6.8
86.09685	2.6
91.03948	3.6
91.05470	73.0
93.07031	71.8
95.01312	3.5
95.04960	22.4
95.08599	56.8
97.02888	15.8
97.06519	29.2
97.10144	8.9
99.04446	6.1
99.08044	3.5
101.02392	2.5
103.05459	4.2
105.07013	90.5
107.04940	10.9
107.08578	38.5
109.02876	9.4
109.06498	11.7
109.10142	22.7
111.04430	4.2
111.08067	5.3
113.09653	2.3
115.05447	5.3
117.07007	30.4
119.08567	57.6
121.06506	8.3
121.10126	28.5
123.04404	2.2
123.08086	9.0
123.11698	9.2
125.09631	2.7
127.03917	8.3
128.06210	5.9
129.05482	3.7
129.06976	20.7
130.07863	2.2
131.08548	39.9
133.06482	5.6
133.10115	50.3
135.08054	6.9
135.11679	17.3
137.09618	6.6
139.07552	2.7
139.11139	2.5
141.06989	7.3
142.07788	2.3
143.08542	20.3
145.06461	3.2
145.10106	35.5
145.11133	3.2
147.08031	4.9
147.11652	33.1
149.09596	9.0
149.13225	12.5
151.11191	3.5
155.08554	12.2
156.09256	1.9
157.10075	20.0
159.08093	2.9
159.11674	24.6
161.13239	17.1
161.81812	2.0
163.11180	5.0
163.58139	1.9
165.06949	2.8
165.09210	1.9
165.12714	4.7
167.08517	5.3
168.09293	2.1
169.06520	2.3
169.10089	13.7
171.08095	2.3
171.11646	19.1
173.04469	18.2
173.05882	2.9
173.09586	3.1
173.13193	16.2
175.11195	3.5
175.14842	7.8
177.09079	2.2
177.12683	3.9
178.27271	1.6
179.08620	3.6
179.14311	5.5
181.10156	9.8
183.11617	14.2
184.07352	6.6
185.09641	3.8
185.13199	13.4
187.11203	2.6
187.14818	7.8
189.12753	3.8
193.10211	3.5
193.12192	1.8
195.11697	9.8
195.13690	3.6
197.13240	9.6
199.11250	2.2
199.14809	8.6
201.16508	2.9
203.14351	2.2
207.11700	4.1
209.13336	8.3
209.15045	1.6
211.14819	7.8
213.16382	4.3
215.14330	3.2
215.17787	2.7
219.17488	2.1
221.13243	4.2
222.79286	1.8
223.14732	2.8
225.12698	1.9
227.12691	2.5
235.14877	1.8
237.12779	2.3
237.16331	2.9
239.17972	4.6
241.19574	13.0
243.21053	3.2
245.19119	2.2
247.20523	2.3
253.14267	2.5
257.19000	7.4
259.20551	19.9
261.22208	2.1
267.15912	9.8
269.17502	4.4
271.20569	2.4
273.18430	5.9
275.20044	36.4
277.21600	4.5
287.20218	2.3
289.21811	1.9
291.19662	4.7
293.20831	2.8
297.22119	2.4
313.21619	2.7
315.23105	5.1
321.21844	2.0
333.24207	27.2
335.25800	9.6
339.23154	2.8
343.22903	1.8
347.22336	2.1
349.23874	23.3
365.24207	2.3
367.22595	3.2
385.23743	2.7
413.21759	2.8
435.32339	2.4
437.34326	2.2
441.26138	2.3
477.28101	2.2
481.32968	1.8
501.34793	2.0
509.36069	3.1
511.38208	2.0
513.35632	6.4
515.38629	4.1
527.37317	20.2
533.40222	4.6
543.36700	2.7
545.38422	4.8
551.40662	5.3
555.35681	2.4
607.43475	60.2
608.44507	2.2
625.44598	53.7
626.45190	3.6
635.38544	2.8
653.40161	7.6
671.40955	6.9
689.42450	13.5
715.45569	3.5
733.46710	3.2
751.47400	2.4
769.48151	6.6
787.50098	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	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	17.4
55.05255	2.8
55.05506	42.4
57.03174	1.9
57.03432	17.4
57.07062	5.2
58.11367	1.2
58.68111	1.2
61.02919	17.0
62.50032	1.3
65.03935	5.1
66.88791	1.5
67.05498	83.2
69.03423	24.3
69.06706	2.8
69.07061	40.3
69.63644	1.3
69.85194	2.3
69.85600	6.3
71.01357	1.7
71.04988	9.3
71.08613	1.8
73.02902	9.0
79.05486	68.8
81.03410	47.3
81.07047	89.6
83.04979	13.0
83.08614	18.5
85.02895	17.9
85.06541	5.9
87.04462	1.7
91.03941	5.8
91.05471	67.8
93.07036	70.9
95.04963	19.0
95.08594	63.4
97.02873	21.1
97.06522	18.2
97.10159	10.0
99.04435	7.2
99.08089	4.3
101.02365	1.6
103.05466	4.7
105.04546	2.0
105.07020	66.0
107.04939	10.5
107.08582	44.1
109.02861	9.8
109.06509	11.2
109.10144	27.7
111.04414	3.5
111.08086	6.2
113.09616	1.5
115.05438	6.9
117.07001	32.3
119.08566	56.3
121.06496	5.1
121.10133	31.3
123.04473	2.3
123.08097	8.6
123.11704	8.8
125.09635	7.6
127.03898	9.7
127.07552	1.8
128.06239	5.4
129.05472	4.2
129.06992	21.9
130.07756	3.8
131.08559	47.2
133.06491	4.2
133.10117	37.7
135.08041	7.6
135.11691	18.2
137.09621	5.2
139.11177	2.8
141.06978	9.4
142.07747	6.6
143.08545	26.5
144.09314	2.1
145.04944	1.9
145.06453	4.6
145.10101	40.9
147.08012	5.9
147.11667	28.8
149.02347	19.2
149.03458	2.4
149.09602	8.4
149.13231	11.3
150.02673	4.6
151.07550	2.4
151.11147	2.6
153.06917	2.1
153.12738	1.8
154.07761	2.7
155.08511	15.9
157.06523	3.0
157.10109	26.1
159.08043	4.3
159.11676	28.6
161.09622	5.6
161.13242	14.0
163.07521	1.4
163.11176	3.9
163.14841	4.0
165.06969	3.3
165.12741	4.5
167.08551	9.9
168.09503	1.8
169.10114	20.4
171.07971	3.2
171.11671	23.5
173.04434	14.2
173.09644	5.5
173.11852	2.7
173.13223	15.2
175.11191	3.4
175.14909	6.7
177.09119	1.4
177.12724	2.9
179.08502	5.2
180.09340	2.5
181.10074	11.2
182.10890	1.8
183.08075	2.5
183.11650	21.4
183.13194	1.9
184.07394	1.6
184.12424	1.5
185.09560	2.3
185.13248	15.5
187.11180	5.5
187.14732	8.6
189.11212	1.5
189.12784	4.0
189.16454	3.2
191.08650	1.5
191.14258	3.0
192.09364	1.6
193.04926	16.8
193.10161	5.8
194.05336	5.6
195.11682	13.5
195.13516	2.0
197.11624	2.0
197.13261	13.7
199.11125	2.9
199.13216	1.7
199.14766	9.3
201.12718	3.7
201.16356	3.4
203.14305	2.9
205.10045	2.7
207.11690	5.2
207.13747	1.5
209.13240	10.9
211.11139	1.5
211.14821	9.1
213.12791	3.0
213.16399	4.1
215.14246	2.2
215.17979	3.3
217.15782	1.8
219.11777	4.0
219.17288	1.4
221.13228	4.6
223.14716	6.5
225.16339	6.4
227.12581	2.4
227.14493	2.2
227.18001	3.3
227.20018	2.5
229.14262	2.0
229.16277	1.6
229.19485	2.5
233.13263	3.2
235.14853	4.8
237.16318	5.9
239.18040	6.4
241.19516	5.9
245.18855	1.8
251.18007	3.4
253.19536	2.3
255.17468	1.6
257.19037	10.6
259.20551	14.0
261.22134	4.5
263.17828	2.4
263.20239	1.7
265.19601	2.3
267.15860	6.4
269.17480	4.8
271.20502	3.1
273.18558	3.0
273.21979	1.9
275.20093	21.9
277.21716	3.4
279.21149	2.0
283.20386	4.2
285.22104	2.3
289.21640	2.2
291.19595	2.7
293.21246	2.2
297.18710	1.4
297.22272	2.3
299.19910	3.2
301.21625	2.9
311.23645	2.5
313.21628	3.2
315.23199	3.0
319.22522	1.6
321.21976	1.8
323.23584	2.3
325.21616	2.8
327.23154	1.8
331.22653	2.6
333.24335	13.3
335.26022	7.6
337.24915	1.9
339.23181	2.7
341.24515	2.6
349.23941	9.0
361.23880	1.9
365.28720	1.6
367.22610	4.1
375.25412	1.8
379.30057	2.4
381.32230	1.5
385.23486	3.0
403.29562	2.1
411.20169	1.6
413.21640	3.6
419.28732	1.5
421.30859	3.8
427.32086	1.6
439.32349	2.3
441.25977	2.1
485.31970	1.6
495.34656	3.2
497.36456	2.0
499.34067	2.2
501.35669	2.5
509.36249	2.8
513.35736	21.7
515.37579	10.2
525.35693	3.7
527.37305	19.2
529.38538	4.1
533.39740	7.7
538.37567	1.6
539.37543	2.3
543.36084	1.5
545.38324	2.7
551.41321	6.4
553.38922	3.1
567.04706	1.6
567.39886	2.2
589.41870	3.0
597.44940	2.7
605.41284	1.7
607.43530	63.2
608.43677	4.0
619.42517	1.6
623.42584	1.9
625.44537	100.0
626.44482	5.5
635.39642	2.9
653.40479	5.2
671.41156	5.1
689.42285	15.3
733.46356	5.2
751.47125	5.2
769.49384	7.8
770.17609	3.4
787.49872	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	787.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	1.6
55.01865	25.0
55.05506	28.4
57.03431	9.1
57.07062	2.2
61.02908	4.6
65.03925	3.1
67.05497	63.0
68.05841	1.8
69.03407	6.3
69.07058	42.8
71.04974	4.7
73.02881	1.9
77.03926	1.9
79.05484	57.0
81.03411	14.3
81.07046	74.8
83.04987	7.6
83.08617	13.7
83.09058	2.6
85.02889	4.8
85.06525	4.7
91.05467	82.9
93.07032	61.7
95.01313	7.2
95.04953	18.8
95.08594	43.6
96.08913	1.8
96.83064	1.4
97.02888	2.7
97.06525	35.8
97.10152	4.9
98.21235	8.9
99.08054	2.3
103.05472	2.0
105.04514	1.6
105.07018	100.0
106.07337	1.6
107.04934	18.1
107.08578	30.1
109.06493	6.8
109.10135	17.7
110.10474	2.1
111.04444	2.5
111.08067	3.1
115.05453	3.5
117.07002	24.7
119.08567	56.1
119.09424	2.9
120.15080	1.4
121.06489	5.2
121.10127	20.7
123.04424	2.3
123.08020	5.4
123.11709	3.5
125.09616	4.5
127.03889	1.5
128.06219	4.0
129.06972	12.1
131.08553	38.1
133.10110	55.0
134.10417	1.9
135.08025	4.2
135.11696	15.1
137.09569	4.3
139.07512	2.1
141.06966	5.7
142.07780	2.0
143.08554	11.4
145.06480	3.5
145.10106	27.0
147.07930	3.2
147.11647	30.8
149.09602	9.2
149.13239	8.1
151.11183	3.4
155.08516	5.2
156.09306	1.7
157.10130	11.0
159.11670	21.6
161.09642	3.0
161.13225	17.1
163.11182	5.8
165.09218	2.3
165.12714	1.6
169.10121	5.8
171.10323	2.5
171.11638	12.2
173.11815	3.2
173.13264	8.8
175.14847	7.5
177.12706	5.8
178.05153	1.5
179.14264	11.5
181.10161	2.3
183.11670	6.1
184.07361	2.0
185.13258	7.9
187.11186	2.9
187.14769	5.2
195.11691	2.8
195.13780	1.8
197.13269	3.0
197.31125	1.6
199.14751	3.9
201.16373	1.9
205.12152	3.3
209.13213	2.8
213.16290	2.4
229.14320	4.8
229.19490	1.9
229.75896	2.1
230.14607	1.7
231.20995	3.6
239.18040	1.5
241.19510	15.6
247.20493	2.4
257.18958	6.0
259.20547	21.2
273.18561	2.2
275.20029	65.9
277.21729	2.2
293.21021	5.6
297.16998	2.0
315.23038	12.8
333.24185	41.7
335.25894	9.6
336.26053	4.8
347.21893	1.8
349.23672	39.7
396.79016	1.6
435.32394	2.6
437.34082	3.6
470.01349	1.5
490.35736	3.2
511.37796	3.0
513.35638	2.9
515.38562	1.9
527.36334	1.6
533.39899	2.8
548.84747	1.5
551.41125	2.7
607.43414	70.4
608.44269	3.3
625.44562	32.4
787.49591	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	788.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.7
55.05503	19.2
56.35302	0.8
57.03428	10.6
59.05019	1.6
61.02908	3.5
65.03929	2.8
66.27872	0.9
67.05499	40.5
68.05833	1.7
69.03426	4.8
69.07061	17.7
71.01344	0.9
71.04987	8.2
71.63744	1.4
73.02898	2.2
79.05482	32.4
80.05824	1.0
81.02921	0.8
81.03411	46.0
81.07049	55.0
82.07401	1.7
83.04971	8.9
83.08617	19.7
85.02895	11.1
85.06523	2.4
86.09686	5.6
87.04431	0.9
91.03935	1.4
91.05470	38.5
92.05804	1.8
93.07034	28.7
95.01326	3.1
95.04960	21.0
95.05547	1.4
95.08596	19.9
97.02883	5.3
97.06527	12.8
97.10160	3.4
99.04470	1.0
99.08083	2.1
103.05443	1.4
105.07019	45.7
106.07343	1.1
107.04257	1.3
107.04948	11.1
107.08587	18.0
109.06507	10.6
109.10143	12.1
111.04436	2.6
111.08069	8.9
113.06020	1.4
113.09663	0.9
115.05431	2.4
117.07003	10.5
119.08564	30.2
120.08945	0.9
121.06522	5.6
121.10119	12.4
123.04446	1.1
123.08045	4.5
123.11717	4.3
125.00001	3.5
125.09632	3.7
128.06192	1.0
129.05446	1.1
129.06989	11.6
131.08557	20.6
131.54472	0.9
133.06467	2.4
133.10118	25.4
134.10472	1.3
135.08072	5.0
135.11664	4.4
137.09602	3.9
141.06989	1.8
142.07784	1.4
143.08560	3.6
145.06403	1.2
145.10106	11.6
146.10529	1.1
147.08018	3.8
147.11678	17.9
149.09607	11.4
149.13255	3.8
151.11188	3.0
155.08533	3.4
157.10098	9.1
159.08078	0.9
159.11670	8.0
161.09605	1.7
161.13252	3.1
163.11171	5.0
163.14737	1.5
165.12720	2.5
169.10092	3.0
171.11668	5.0
173.09512	1.4
173.13243	2.6
175.11223	8.5
175.14775	1.7
177.12733	2.4
179.14293	3.8
183.11708	2.9
184.07327	9.4
184.24408	0.8
185.13258	1.4
186.13521	1.3
187.11189	2.4
187.14799	1.6
189.12744	2.0
189.16388	1.0
193.12224	17.6
195.11699	1.4
197.13260	1.6
199.14839	2.1
201.16458	1.2
210.13736	1.0
211.13234	17.7
219.17416	1.2
227.12749	1.4
229.14322	0.9
233.15312	1.2
247.20534	2.3
253.14336	5.2
256.56802	0.9
257.19009	3.5
267.15897	41.8
269.17368	1.0
272.52090	0.9
273.18683	2.2
275.20035	35.7
276.20151	1.9
285.16934	30.4
286.17215	1.0
293.21039	2.5
301.16235	1.1
307.22580	2.3
349.23718	24.3
365.23285	1.2
381.26300	9.1
385.49356	1.1
514.36115	1.6
541.35223	100.0
542.35754	6.2
559.36163	26.7
573.37677	1.1
577.37488	4.6
583.36108	1.4
591.38983	22.4
608.43719	4.7
625.44263	2.1
626.44995	9.8
770.48889	1.2
788.50183	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	788.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.7
57.07043	0.1
57.63352	0.1
58.06618	0.4
59.07371	0.2
60.08154	6.8
65.58836	0.1
67.05486	0.1
69.07043	0.2
71.07361	3.4
71.62815	0.2
81.07044	0.1
86.09692	33.1
87.10035	0.2
93.07059	0.1
95.75388	0.1
98.98450	3.3
104.10727	3.2
116.99483	0.3
124.99984	21.4
143.01022	0.7
166.02597	0.3
177.53889	0.1
184.07310	100.0
185.07768	0.6
496.33908	0.3
560.05945	0.1
669.88446	0.1
676.45752	0.3
690.47064	1.5
691.46521	0.1
752.51489	0.2
770.53040	0.8
788.54303	4.1
789.54810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.207
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.05491	0.3
55.05897	0.2
57.03412	1.2
61.02902	0.6
67.46918	0.2
68.99745	0.6
69.03423	1.7
70.78625	0.2
71.04985	6.6
71.05357	0.3
71.61076	0.2
73.02880	0.4
75.04458	0.4
75.76406	0.2
76.99771	0.2
78.61933	0.2
81.03362	0.6
83.04922	0.6
85.02893	11.5
87.04436	0.2
91.03931	0.3
97.02871	1.5
99.04408	0.3
109.02834	0.8
111.00768	1.6
111.04376	0.5
127.03873	1.4
129.04623	0.2
129.05466	2.4
133.10077	0.3
137.02315	1.5
139.03870	0.6
142.03151	0.2
145.04918	1.0
147.04343	0.6
147.06429	0.6
153.01808	6.9
163.03874	0.8
165.01810	3.3
166.02548	0.4
167.06844	0.3
170.63571	0.2
177.05432	0.4
179.03371	1.1
183.02821	0.9
189.05414	0.6
193.01230	0.4
195.02850	0.5
203.03369	0.3
207.02864	0.5
217.04915	2.1
221.04350	0.3
227.03415	0.3
231.02715	0.2
245.04416	3.9
250.87317	0.2
255.02808	0.4
263.05511	0.7
269.37845	0.2
273.03918	4.5
283.02417	0.3
290.04199	1.5
301.03284	1.3
303.04782	0.6
319.04440	100.0
320.04773	3.1
331.04541	0.3
335.04099	0.3
343.04446	0.8
361.05511	1.0
364.79053	0.2
385.05377	0.5
463.08487	0.4
481.09729	33.1
482.10300	1.2
523.11017	0.3
544.83160	0.2
561.52997	0.2
609.25244	0.3
645.24658	0.2
746.74359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2077
Annotation	Myricetin 3-rhamnosyl-(1->3)-glucosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01863	0.7
55.48292	0.1
57.03433	2.5
61.02922	1.7
68.99789	0.5
69.03065	0.3
69.03423	4.7
71.04987	8.6
71.63618	0.3
73.02913	1.0
75.04475	0.4
76.17149	0.1
81.03413	1.6
83.04980	0.6
84.96028	0.2
85.02897	20.9
87.04467	1.3
91.03960	0.7
91.05478	0.3
91.74606	0.1
97.02881	4.0
99.04449	0.6
101.02354	0.2
103.03951	0.4
104.19765	0.1
109.02882	2.0
111.00790	1.7
111.04456	0.5
115.03927	0.2
119.25182	0.2
123.04456	0.4
126.03136	0.2
127.03905	3.5
127.04784	0.3
129.05472	2.9
129.06361	0.2
137.02295	1.2
139.03922	0.6
145.04936	2.1
147.04443	0.3
147.06505	0.8
153.01808	5.9
153.05391	0.2
161.05966	0.2
163.03938	0.2
163.05986	0.2
165.01802	2.5
166.02574	0.5
177.05478	0.3
179.03329	1.1
183.02930	0.6
189.05470	0.4
191.03381	0.2
193.01353	0.4
195.02878	0.3
199.03915	0.2
203.03474	0.4
207.02879	0.4
217.04964	2.1
219.25494	0.2
221.04462	0.3
227.03529	0.2
229.05063	0.2
232.03825	0.1
235.02406	0.2
235.05920	0.2
237.02802	0.2
245.04416	3.7
255.02849	0.5
263.05563	0.5
273.03894	4.0
290.04230	1.2
291.04745	0.3
291.38547	0.2
301.03455	1.0
303.04947	0.3
318.03705	0.5
319.04453	100.0
320.04822	1.8
331.04620	0.3
343.04486	0.6
361.05362	1.3
385.05786	0.2
465.10187	0.4
481.09753	24.8
482.10135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05506	1.3
57.03424	0.9
65.03941	1.4
67.05505	3.0
69.02301	0.7
69.02618	0.8
69.03419	3.0
69.07070	1.4
71.03561	1.5
73.02940	0.7
79.05489	4.0
80.04995	1.8
81.03413	6.5
81.07050	3.2
83.04977	1.0
83.08591	1.0
85.02908	3.2
91.05470	4.0
93.05781	1.8
93.07024	5.9
94.06552	9.9
95.04961	3.0
95.07339	2.2
95.08594	1.6
96.08121	6.8
97.02883	1.4
99.04453	1.0
103.05452	1.5
105.07041	2.1
106.06580	2.6
107.04932	1.2
107.07339	2.8
107.08597	0.9
108.04489	1.9
108.08109	25.3
108.08854	1.3
109.02877	2.1
110.09674	11.6
111.04428	2.1
116.04996	0.8
117.06994	0.9
119.08573	1.1
120.04477	2.3
120.08090	15.3
121.06526	1.1
121.08888	0.9
122.06013	17.1
122.09653	8.1
123.04393	5.9
124.07571	5.3
127.03902	12.5
131.08574	1.1
132.08084	2.0
133.10159	1.5
134.06029	2.5
134.09657	1.6
135.04408	5.9
136.07565	33.7
137.05974	1.2
138.05528	1.9
138.09125	21.5
139.03886	17.5
139.04875	1.3
144.04465	1.5
144.08151	0.8
145.10138	0.8
146.05992	6.2
147.04372	1.0
147.11673	0.9
148.07558	16.7
148.08672	1.1
149.06038	0.9
150.05460	0.9
150.09140	8.2
151.03885	4.2
152.07053	11.0
154.08652	0.8
157.10114	0.8
158.06068	1.0
160.03987	1.8
160.07587	3.6
162.05585	2.0
162.09192	2.1
163.03900	6.8
164.07051	5.2
166.08614	19.6
167.03435	0.9
167.06981	3.4
172.03909	10.1
173.06004	0.9
174.05560	2.8
174.09186	1.7
176.07063	2.5
177.05513	1.1
178.08636	1.0
179.03387	0.9
180.10229	1.8
181.04889	1.1
182.09746	1.1
186.05458	1.1
186.09149	1.3
187.03992	1.2
190.04971	7.8
191.03477	2.6
193.12128	0.9
194.08156	1.1
195.09128	0.9
196.09877	0.8
197.10806	2.6
198.11571	2.8
199.12375	1.9
199.14964	0.7
200.07181	1.3
201.05484	1.3
203.03462	1.4
204.06552	8.9
204.08238	1.1
206.08167	1.1
208.09789	1.2
209.10773	2.1
210.11554	2.8
211.12123	8.9
212.09428	1.5
212.13113	1.9
213.05301	0.8
213.10262	2.9
213.13893	1.5
221.10760	1.8
222.11543	1.3
223.08745	1.1
223.12247	5.2
224.09450	1.7
224.13116	2.1
225.10205	11.9
225.13681	5.0
226.10974	5.8
227.11761	8.7
228.06584	1.1
228.12440	1.0
229.05080	2.0
229.13452	1.8
233.10782	1.0
235.08766	1.7
235.12308	3.6
236.09547	2.9
236.13033	1.2
237.10220	12.5
237.13866	1.7
238.10962	7.8
239.11763	23.5
240.12543	5.8
241.09735	1.9
241.13367	4.3
243.06548	0.8
245.04503	1.1
245.12897	0.8
246.11288	1.3
247.05945	3.6
248.09306	1.8
249.10185	9.0
250.10898	6.6
251.07951	1.9
251.11765	31.6
252.09050	2.9
252.12526	9.9
253.09700	4.9
253.13350	11.2
254.14165	1.9
255.11261	7.7
257.04605	2.7
259.06189	1.1
259.14597	0.9
261.10223	1.8
262.10962	4.1
263.08795	1.4
263.11765	21.8
264.09027	3.3
264.12488	5.9
265.09814	10.2
265.13419	13.3
266.10559	7.1
266.14081	4.0
267.11258	21.5
267.14590	1.1
267.15152	1.0
268.11948	2.3
269.12909	5.3
270.13495	0.8
271.06140	1.9
271.10828	2.4
271.14426	1.9
273.12378	2.4
275.05585	2.1
275.11819	1.0
276.12683	1.3
277.09930	5.6
277.13367	4.8
278.10492	6.7
279.11243	39.1
280.11993	8.9
281.09677	1.6
281.12808	15.7
282.10141	0.8
282.13586	1.9
283.05917	1.3
283.10910	2.3
283.14404	1.4
284.11603	2.2
285.09433	1.5
285.12341	17.4
286.12982	0.9
287.05609	2.2
289.07092	5.6
289.09958	1.6
291.11267	14.2
292.11954	4.9
293.09515	1.1
293.12720	12.5
294.09891	0.8
294.13477	1.8
295.10876	4.1
295.14246	1.7
296.11627	1.9
297.12308	23.3
298.13086	2.4
299.13873	9.6
300.15051	1.0
301.07108	2.4
303.11191	1.0
305.09253	1.9
305.13007	2.4
306.09653	0.8
307.10797	4.6
308.11493	0.8
309.12265	9.1
310.12857	5.1
311.10358	1.8
311.13831	28.9
312.14474	1.4
313.15509	2.1
316.14618	1.4
319.10764	11.4
320.11505	1.5
321.12277	10.0
322.13092	2.3
323.10309	6.9
323.13968	2.9
324.11053	1.1
325.11774	6.4
326.12399	1.4
327.13373	5.1
328.14438	1.8
329.15311	2.1
330.16040	3.2
333.12500	1.6
333.16620	1.0
335.13599	1.3
337.11679	5.4
339.13333	9.3
340.14368	1.3
341.11295	1.4
341.15143	2.3
342.16019	2.5
343.13239	0.9
343.16895	1.2
344.17587	3.1
346.19217	1.3
351.13403	3.7
353.15201	3.4
355.13171	3.2
356.13876	2.1
356.17679	2.1
357.14584	4.5
357.18417	0.8
358.15530	3.0
358.19186	1.9
360.17020	0.9
364.14178	1.2
365.11218	1.2
365.15234	1.8
367.13095	2.0
368.13614	1.3
369.14502	4.5
370.15427	2.0
370.19540	1.0
371.16266	1.3
372.17130	3.1
373.17590	1.2
374.18979	1.2
376.20374	0.9
379.12650	3.5
381.14502	3.5
382.15283	1.4
383.16193	3.2
384.17120	2.2
386.14520	1.3
386.18750	2.6
387.19632	1.1
388.16461	1.8
388.20560	0.9
393.14288	3.6
395.16241	1.7
396.17395	1.2
397.18042	1.0
398.14798	0.8
399.15518	4.6
400.16241	5.9
401.17075	0.9
402.18292	3.0
403.18802	1.6
404.19711	2.7
405.14844	1.4
405.20593	1.0
407.16086	2.0
409.09058	2.4
409.13913	1.5
410.14865	1.3
411.15454	9.5
412.16476	4.4
413.17264	3.2
414.18079	2.4
415.18991	1.2
416.20023	1.4
417.15335	1.0
418.21634	4.0
422.14774	1.0
423.15378	3.5
424.16779	1.4
425.17007	1.5
426.18079	1.2
427.10294	2.3
427.15186	2.2
428.10370	0.9
428.15411	1.6
428.20160	1.3
429.16437	10.4
429.21228	1.0
430.17322	6.9
431.18106	1.6
432.19263	3.3
435.15616	3.9
437.17450	0.9
439.14932	4.7
441.16544	8.7
442.17679	2.6
443.18271	2.3
444.19321	2.3
446.20898	4.7
448.18335	0.9
450.20343	3.5
451.14975	1.1
453.16422	8.2
454.17804	1.4
457.18204	0.8
459.17413	4.2
460.18524	2.0
462.20270	1.6
463.14944	4.1
465.16806	2.0
467.14188	3.7
469.15781	3.3
471.17596	15.4
472.18375	3.9
474.20212	1.2
481.15997	17.4
483.18445	1.7
490.19714	1.4
492.20889	1.2
499.17300	2.1
501.18695	1.4
502.19635	1.6
506.23077	1.7
518.22717	1.9
529.59930	0.8
530.22815	1.6
532.20593	2.0
534.22516	1.6
546.22473	2.7
548.23889	1.1
556.20813	2.9
558.22015	2.5
560.24365	1.3
562.21887	2.8
564.23499	1.0
566.24951	4.3
568.20233	1.2
572.24036	1.3
574.21765	4.3
575.22687	1.1
576.23578	2.5
578.24963	4.5
580.22852	3.1
586.22333	2.4
588.23352	2.2
590.25116	3.4
591.22333	2.0
592.22687	6.8
593.23578	32.9
594.24365	29.0
595.24939	2.4
598.22064	1.3
604.22742	4.0
606.24371	32.1
607.25146	2.6
616.22919	3.9
618.24475	10.6
619.22595	1.4
620.22272	18.6
621.23108	16.1
622.23975	11.8
634.23877	68.2
635.24689	9.4
636.25330	6.7
648.24951	0.9
652.25049	6.5
666.26471	58.7
667.27234	10.5
668.28479	1.2
693.29175	2.1
703.27728	1.3
711.30267	1.9
715.29767	1.3
721.28650	6.0
729.31110	4.7
739.29718	18.1
757.30682	100.0
758.30798	4.7
789.32953	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	790.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	18.1
55.05500	38.5
57.03427	24.1
57.07061	3.9
59.05016	2.3
61.02908	8.2
65.03932	6.1
67.05493	100.0
67.28682	1.3
69.03423	14.0
69.07056	66.1
71.01337	3.6
71.04977	13.0
73.02908	6.0
79.05479	74.5
80.08251	1.4
81.02914	2.1
81.03404	69.3
81.07042	93.0
82.04190	1.9
83.04967	26.4
83.08604	32.9
85.02889	32.1
85.06536	6.5
86.09697	3.5
87.04477	1.8
91.03956	4.3
91.05466	94.1
92.05777	2.1
93.03374	1.3
93.07028	74.4
95.04952	46.8
95.08592	57.3
95.09227	1.6
97.02869	13.6
97.06522	27.0
97.10143	17.1
98.07301	1.5
98.21598	2.2
99.04445	2.9
99.08073	5.1
101.09656	1.8
103.05447	4.0
105.07011	60.2
107.04942	22.2
107.08579	40.3
109.02853	2.2
109.06493	12.1
109.10133	40.2
110.10423	1.4
111.04437	6.0
111.08057	15.3
112.62005	1.3
113.05979	2.9
113.09685	2.2
115.05464	3.6
116.04709	4.3
117.05612	1.4
117.06997	20.6
119.04967	2.0
119.08557	54.2
121.06474	11.8
121.10123	24.2
123.04451	2.0
123.08031	12.5
123.11725	6.5
125.05894	3.0
125.09605	14.5
127.03918	4.7
127.07563	1.5
128.06155	1.8
129.05463	10.5
129.06976	18.9
130.07802	1.6
131.08546	28.8
133.06490	4.7
133.09100	2.0
133.10110	39.0
135.08040	7.1
135.11668	17.8
137.09615	17.1
139.03920	3.9
141.06958	2.1
142.07755	4.0
143.06996	2.4
143.08513	8.1
145.06477	2.3
145.10089	21.0
147.07979	8.0
147.11655	29.7
149.09586	28.7
149.13161	6.4
151.11168	3.3
152.67009	1.4
153.12738	1.4
155.08531	3.1
155.10585	2.2
157.08615	4.4
157.10123	20.4
159.11697	11.5
161.09583	3.9
161.13228	5.9
163.11140	17.5
165.09099	2.7
165.12770	3.9
169.10110	3.2
169.12250	1.3
171.10324	1.7
171.11705	5.3
173.04428	1.8
173.09579	3.5
173.11719	7.7
173.13277	7.4
175.11154	18.6
175.14783	1.4
177.12761	4.8
179.14304	5.3
181.12247	2.8
183.11703	3.0
184.07335	9.4
185.11713	2.2
185.13252	3.3
187.11150	5.2
187.14883	2.2
189.11183	7.5
189.12675	1.6
193.12221	50.6
194.12709	1.7
195.13815	3.7
197.13312	2.4
199.13283	3.9
209.11661	2.3
211.13243	63.6
215.14265	1.3
219.13869	1.4
223.13155	2.9
227.12711	13.4
229.14284	13.3
229.19385	2.7
239.17987	2.1
243.15955	1.7
247.20531	2.7
253.14397	3.1
253.17993	1.8
255.15950	5.2
257.18961	7.7
259.20416	2.3
267.15900	28.8
269.17365	10.3
273.18503	4.8
275.20023	39.5
283.15350	6.3
285.16922	45.6
291.19382	8.4
293.21054	6.5
295.15213	1.4
299.14874	4.1
301.16449	16.7
333.24210	2.0
349.23688	43.5
363.21707	1.5
365.23065	3.0
367.24707	2.5
381.22705	3.8
403.18976	1.4
421.25940	7.0
422.26431	1.6
423.27502	2.9
439.26825	22.5
445.29886	2.4
447.27167	2.3
461.28650	2.1
463.30429	5.4
465.20535	3.8
475.27313	1.6
477.28256	4.0
479.29843	2.4
481.27795	1.5
493.28149	1.5
495.29532	10.3
495.36029	2.2
541.35236	17.7
557.34790	7.0
558.35217	1.6
559.36237	42.6
560.36530	4.9
562.05396	1.8
575.35779	15.8
577.37238	6.1
593.36810	3.9
627.19751	1.5
691.34778	1.5
791.41473	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	790.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.3
55.05502	35.0
55.05776	1.7
57.03139	0.9
57.03429	18.1
57.07051	1.2
59.04995	1.4
60.67873	0.7
61.02904	3.1
63.50479	0.7
65.03932	3.0
67.05494	50.9
69.03425	8.0
69.06712	1.5
69.07059	23.5
69.33880	1.4
69.34286	7.1
71.04976	7.5
73.02901	2.0
73.06551	0.8
73.55902	0.7
79.05481	57.9
80.05795	0.9
81.03406	68.9
81.07043	100.0
83.04970	26.2
83.08605	35.0
85.02889	27.8
85.06535	4.9
87.04413	1.2
91.03958	1.7
91.05467	52.8
93.03397	1.0
93.07028	40.7
94.80823	0.8
94.86875	0.8
95.04954	40.9
95.08590	25.2
97.02876	5.6
97.06519	11.6
97.10152	27.3
98.21246	3.8
99.04457	3.7
99.08078	3.0
103.05436	1.7
105.07014	40.0
106.07323	1.1
107.04933	20.0
107.08576	25.3
109.06493	16.9
109.10136	16.1
111.04426	14.1
111.08063	16.1
113.05991	2.4
115.05427	2.1
116.06202	1.0
117.07002	14.3
119.04945	1.9
119.08562	40.5
121.06481	10.5
121.10126	20.1
122.10451	0.9
122.76111	0.9
123.04424	1.6
123.08049	25.1
123.11697	2.8
125.05975	2.2
125.09608	26.7
127.03889	1.3
128.06227	1.5
129.05482	1.1
129.06990	18.0
130.07748	1.2
131.08546	22.5
133.06448	6.7
133.10107	22.9
135.08043	10.0
135.11685	9.5
137.09607	7.4
138.63031	0.8
139.11177	1.8
141.06963	1.9
142.07709	4.3
143.08542	7.4
143.10638	1.2
145.06450	3.3
145.10109	18.4
147.08043	14.1
147.11662	20.7
148.12074	1.0
149.09604	13.8
149.13229	2.5
151.07518	1.0
151.11200	1.8
153.09082	2.8
153.12724	6.8
155.08543	3.4
157.10098	21.0
159.07988	3.1
159.11655	6.8
161.09560	8.3
161.13226	1.4
163.11147	19.6
165.09132	4.1
165.12698	3.5
167.08525	1.1
169.10094	2.6
171.10248	1.7
171.11642	4.8
173.09579	4.3
173.11778	1.3
173.13252	2.0
175.11159	16.5
177.12675	2.7
181.10065	0.8
181.10820	0.8
181.12210	6.4
183.11670	2.0
184.07309	2.1
185.09604	2.4
185.13211	2.1
187.11145	1.9
189.11172	20.8
189.12695	2.0
191.10663	5.8
193.12209	49.1
194.12518	1.9
199.11234	1.9
199.14940	0.9
203.14233	1.0
205.12296	1.9
207.13701	1.4
209.11688	2.4
211.13257	61.9
213.12807	1.0
213.16383	0.9
221.11621	1.0
223.13237	5.5
227.12747	28.6
227.17876	2.9
228.12930	0.8
237.16458	1.2
245.13725	0.9
245.18912	3.1
249.14857	3.9
255.17488	4.6
263.20023	1.7
265.14362	1.0
267.15884	33.8
273.18439	42.5
275.20209	1.2
283.15411	5.5
285.16922	85.7
286.17291	1.2
291.19498	84.3
292.19788	1.9
309.20605	11.7
313.21533	1.3
314.22470	0.9
329.21112	1.5
331.22812	1.4
337.23874	1.0
347.22092	13.3
349.23868	1.1
365.23172	48.1
366.23334	2.3
383.24203	22.0
384.24377	1.1
407.24423	0.9
437.25037	2.0
447.27905	1.8
455.26215	5.4
461.29245	1.2
465.29993	4.4
483.30975	3.9
493.27530	1.7
501.32162	1.4
511.28809	2.2
539.33655	9.8
540.34027	1.0
547.35938	1.4
557.34662	48.0
558.34711	2.5
575.35699	70.0
576.35883	2.9
593.36719	35.6
594.36975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.0
55.05504	29.6
56.05809	1.2
57.03428	29.5
57.07063	2.5
59.57994	1.4
61.02908	5.6
65.03928	5.7
67.05496	72.1
69.03419	22.3
69.07057	52.6
69.87927	2.7
69.88349	4.6
70.07380	1.3
71.01344	2.0
71.04986	28.0
73.02901	5.3
77.03904	1.8
79.05482	74.6
81.03407	78.3
81.07046	81.1
83.04973	29.6
83.08128	1.9
83.08609	29.9
85.02888	33.2
85.06524	5.8
91.03925	2.2
91.05466	80.0
93.07034	69.5
95.04957	42.0
95.08590	34.8
95.09093	0.6
95.09216	1.2
97.02877	14.9
97.06519	100.0
97.10133	9.6
97.50436	1.3
98.21176	3.5
99.04436	5.7
99.08076	6.5
99.30562	1.5
103.05460	2.5
105.04499	1.8
105.07021	50.9
107.04938	20.5
107.08584	31.5
109.02871	8.5
109.06503	23.4
109.10139	13.9
111.04420	4.8
111.08070	23.1
113.05976	6.2
115.05453	4.4
115.07555	24.8
117.06998	18.6
119.04955	1.7
119.08566	42.5
121.06478	10.2
121.10130	25.1
123.08028	11.0
123.11664	6.7
125.09627	5.9
127.03899	6.6
127.07516	4.4
128.06178	3.5
129.05521	1.7
129.06995	23.8
131.08554	37.9
133.06494	7.0
133.10121	33.0
135.08043	11.8
135.11667	11.8
137.05901	1.8
137.09607	3.8
139.07507	1.9
141.06927	2.1
142.07722	5.4
143.08553	9.2
145.04907	2.2
145.06468	3.0
145.10110	15.6
147.08044	9.1
147.11668	23.9
147.75395	1.3
149.09610	14.5
149.13266	9.1
151.11162	5.2
153.01773	2.1
153.12715	1.5
155.08549	4.0
157.10095	22.9
159.08003	3.9
159.11685	11.6
161.09604	7.7
161.13226	2.0
163.11128	6.8
165.09096	1.7
165.12761	4.9
167.08466	1.4
169.10075	4.6
171.11667	6.6
173.04514	7.1
173.09558	2.5
173.13254	3.2
175.11166	20.6
177.12683	4.7
179.10744	1.9
181.10117	1.6
181.12204	3.4
183.11644	3.4
185.09674	1.4
185.13289	3.5
187.11160	3.4
187.14803	2.5
189.11215	1.9
189.12785	2.6
191.14317	1.8
193.12222	49.0
195.11859	1.8
195.13780	6.3
199.11172	1.9
199.14857	3.6
201.07689	1.9
201.12711	1.8
203.14339	3.0
205.12170	2.1
209.13297	1.6
211.13257	68.3
213.12630	1.7
217.15849	11.1
219.13742	1.4
221.15295	2.5
223.13232	1.4
227.12636	7.4
227.17912	2.6
229.14211	2.0
231.13736	1.7
233.15359	3.4
237.16409	2.1
241.10818	1.6
241.15738	1.3
245.19019	6.8
249.14783	1.9
253.14304	5.7
255.17484	3.3
267.15851	30.6
269.17432	25.4
273.18463	40.2
275.20041	3.7
283.15359	5.3
285.16943	67.6
289.17871	1.7
291.19510	26.4
300.24097	1.3
307.19028	2.8
329.21109	2.8
341.19577	2.0
347.22067	16.2
349.23587	2.5
365.23206	16.3
383.24072	3.7
437.25198	3.0
443.27963	1.5
447.27588	3.7
461.28943	16.8
465.28732	4.6
477.28336	2.9
479.30063	36.1
480.30240	1.8
483.30786	2.4
487.30115	1.9
499.30533	1.9
505.31281	2.3
507.29453	1.9
517.31604	3.7
539.33820	6.9
557.34705	21.8
575.35791	24.9
593.36774	11.3
623.34491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.05255	1.5
55.05506	19.5
57.03432	9.3
57.07062	1.9
59.04988	1.0
61.02908	0.9
63.89236	0.7
65.03925	2.8
67.05497	43.5
69.03417	5.2
69.07059	14.0
71.04985	7.8
73.02874	1.1
79.05482	40.6
81.03410	35.1
81.07049	44.1
81.24996	0.8
83.04966	5.1
83.08128	1.1
83.08607	14.5
85.02896	2.9
85.06510	3.4
86.09693	3.6
90.95313	0.7
91.03950	1.3
91.05473	41.8
93.07036	45.7
95.04959	19.6
95.08598	27.3
97.02885	3.0
97.06522	5.9
97.10165	8.4
97.60753	0.9
98.20967	4.1
99.04439	0.9
99.08088	2.2
105.04539	0.9
105.07017	35.8
107.04945	6.2
107.08582	23.9
109.06507	6.0
109.10148	13.3
111.04420	1.9
111.08080	5.2
115.05428	1.4
117.07004	16.6
119.08573	31.1
119.09445	1.5
121.06510	4.5
121.10130	21.1
123.04371	1.3
123.08077	3.8
123.11652	3.8
124.99993	2.3
125.09615	10.5
127.03893	0.8
128.06241	1.9
129.05472	1.1
129.06989	12.9
130.07764	2.0
131.08553	24.6
133.06500	3.2
133.10114	21.9
135.08043	5.6
135.11674	11.3
137.05959	1.2
137.09598	2.8
139.03897	1.2
139.11107	0.8
141.06978	3.1
142.07782	1.9
143.08530	10.9
143.55109	0.7
144.09352	1.4
145.06451	2.0
145.10107	19.3
147.08029	2.4
147.11688	16.9
149.09586	5.8
149.13245	3.9
151.11156	1.9
153.07027	1.1
153.09058	1.0
155.08568	5.7
157.10107	13.6
158.96332	0.7
159.08006	2.5
159.11681	13.6
161.09605	2.1
161.13216	5.6
163.11177	3.4
163.14825	1.1
165.12804	1.5
167.08534	1.6
169.10138	6.1
171.08054	1.2
171.11642	10.6
172.10796	0.8
173.09598	1.4
173.11836	1.5
173.13231	8.0
174.55132	0.8
175.11177	4.8
175.14789	4.0
177.12659	2.2
179.08473	0.9
179.14296	0.9
181.10069	3.9
183.11626	6.2
184.07309	7.4
185.09637	1.2
185.13239	6.9
186.48300	0.8
187.11215	1.8
187.13261	0.9
187.14786	4.3
189.11171	3.6
189.12782	1.7
193.10481	1.5
193.12206	7.6
195.11627	4.2
197.13269	3.8
199.11266	1.3
199.14801	4.4
201.12892	1.1
201.16330	1.0
203.14348	1.4
209.13274	2.4
211.11354	0.9
211.14893	1.3
213.12744	1.1
215.14375	1.4
217.15887	1.3
221.13177	1.0
223.14911	1.3
225.16367	0.9
227.12717	8.0
227.18054	1.0
229.14334	2.7
231.17531	1.0
233.15308	1.4
235.14845	1.7
239.18016	0.8
241.19595	5.0
247.16914	1.0
249.16432	1.4
253.17969	0.9
255.15767	1.0
257.19144	1.2
259.20560	14.0
267.15860	15.8
269.17413	2.3
273.18488	1.4
275.19995	2.7
283.15350	1.1
283.20416	1.4
291.19485	1.2
293.21005	0.9
297.22244	1.3
299.20306	1.7
299.23679	6.6
301.20145	1.8
301.73657	0.9
315.19696	1.2
315.23236	1.0
333.24234	8.8
339.23080	1.3
343.22809	1.4
349.23740	1.8
376.45401	0.9
403.24677	2.1
415.29858	2.3
417.25974	0.8
421.25900	7.8
423.27319	1.8
431.28143	1.1
433.25711	1.0
433.31006	8.8
435.27338	7.3
437.28973	1.6
443.27640	1.1
447.27225	1.4
449.29156	3.0
451.32031	10.6
461.29022	1.4
463.30746	1.3
469.33136	5.0
471.31863	1.2
495.33456	1.6
507.35010	3.9
517.35236	5.5
525.35718	53.9
526.35754	2.3
535.35632	1.0
543.36761	100.0
544.37079	3.2
557.38348	10.3
567.36639	1.8
575.39532	17.3
585.37164	0.9
609.37183	0.9
633.37195	1.9
651.38739	1.6
669.39630	2.7
687.40332	1.8
737.44525	1.0
790.39801	2.5
791.39301	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	790.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05021	0.6
58.06343	0.2
58.06602	0.4
59.07389	0.2
60.08157	5.7
71.07368	2.5
71.63890	0.3
71.64236	0.2
81.07046	0.3
86.09695	27.2
87.10028	0.2
91.05483	0.2
93.07017	0.3
98.98451	2.2
104.10732	2.6
108.24215	0.2
124.99992	16.9
126.82729	0.2
140.01192	0.2
143.01004	0.3
150.93701	0.1
166.02654	0.4
184.07320	100.0
185.07643	0.7
431.93405	0.2
496.33380	0.4
497.65155	0.1
690.46979	1.9
772.55194	0.8
790.55896	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	792.473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.8
55.05508	29.9
57.03432	20.0
57.07063	1.8
59.04987	3.4
61.02914	4.7
65.03928	3.1
67.05500	100.0
69.03431	8.6
69.07065	22.8
69.45163	1.4
71.04988	12.9
71.60960	2.5
71.61360	1.5
73.02918	3.3
79.05488	50.8
81.03413	77.2
81.07053	73.6
83.04977	20.8
83.08614	39.3
85.02904	32.8
85.06544	6.2
89.61175	1.5
91.05475	58.9
93.07034	47.6
95.04959	38.6
95.08598	30.1
97.02883	7.3
97.06528	14.5
97.10175	11.7
97.10725	2.3
99.08086	3.2
105.06284	2.6
105.07012	46.2
107.04945	11.9
107.08593	31.9
109.06500	9.4
109.10146	49.8
111.04449	4.2
111.08088	17.8
113.05978	2.1
113.41777	1.6
115.05483	2.0
117.07020	11.8
119.08572	38.1
121.06516	4.2
121.10135	19.3
123.08084	3.8
123.11686	4.1
123.38425	1.7
125.00008	1.9
125.09615	10.5
127.03910	1.8
129.07010	10.9
131.04988	1.7
131.08553	25.3
133.06442	1.9
133.10124	26.1
135.08066	5.9
135.11702	6.4
137.06015	2.0
137.09618	4.6
139.03889	4.0
139.11079	1.7
140.57278	1.6
142.07794	3.2
143.08546	2.7
145.10127	12.3
147.08031	3.0
147.11676	24.0
149.09612	14.6
149.13252	9.0
151.11118	1.9
157.10124	20.8
159.11699	8.3
161.09605	2.2
161.13277	2.8
163.03821	2.0
163.11183	5.6
165.12764	4.0
167.07056	1.7
169.10095	3.2
171.11681	3.4
173.11745	10.2
173.13257	4.2
175.11154	21.4
177.12784	2.3
179.14346	2.0
179.26314	1.7
183.11676	3.2
184.07338	2.7
185.13181	1.6
189.11275	3.9
193.12216	51.3
195.13913	3.1
211.13281	53.6
227.12804	10.0
229.14323	33.4
239.17812	2.0
247.20518	1.9
255.08968	1.6
257.19058	5.6
266.08401	1.4
267.15869	37.9
269.17459	20.2
275.20032	33.8
285.16919	54.5
293.21054	5.8
331.22589	2.4
349.23730	28.8
352.42838	1.6
367.24750	10.8
421.25854	17.5
439.26901	96.1
440.26901	2.1
443.28143	2.2
461.28983	21.7
479.30029	63.7
497.34009	1.8
523.34161	2.6
541.35211	25.8
559.36267	51.9
560.36371	2.0
577.37378	22.8
583.30847	4.9
623.34338	4.1
739.04730	2.2
749.59631	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05260	0.9
55.05505	14.8
57.03433	10.4
57.07053	2.1
57.81234	0.6
61.02919	2.8
65.03933	2.7
65.90094	0.5
67.05495	66.7
69.03411	1.5
69.07059	14.7
70.94601	1.8
71.04972	2.2
71.08592	0.9
79.05483	40.3
81.03387	0.9
81.07047	64.7
83.04966	1.3
83.08601	7.3
85.02884	2.6
85.06528	1.6
85.14597	0.5
91.03963	1.0
91.05470	21.7
93.07030	45.7
95.04960	6.6
95.08593	52.3
97.02860	1.8
97.06521	3.5
97.10178	3.6
99.08095	1.3
105.04483	0.6
105.07016	19.8
107.08586	25.5
109.06502	2.2
109.10144	24.8
109.10898	1.0
111.08062	1.7
113.09640	0.7
117.06995	7.9
119.08572	17.4
121.10130	21.9
123.08035	0.9
123.11697	8.2
125.09604	0.7
129.07005	1.7
130.07709	0.7
131.08551	12.6
133.10112	13.7
135.08014	0.6
135.11671	18.4
137.09586	0.7
137.13246	3.0
139.11172	1.2
143.08528	1.7
145.10103	10.2
146.62715	0.5
147.11661	11.6
149.09552	0.6
149.13234	9.0
151.11133	0.9
151.14766	0.8
155.08517	0.8
157.10133	2.2
159.11674	10.7
161.13239	9.5
163.11156	1.0
163.14809	4.4
169.10075	0.7
171.11673	2.1
173.13249	7.3
175.14806	3.8
177.16364	1.6
179.14241	0.6
185.13235	2.5
187.14787	4.2
189.16393	0.9
191.14163	0.6
199.14807	1.5
201.16365	1.8
205.15797	0.7
213.16312	0.7
215.17995	0.7
222.86154	0.6
231.21034	0.8
233.22609	0.6
241.19705	2.7
243.21080	6.1
247.20541	0.6
259.20547	7.3
261.22095	19.5
263.23596	1.5
277.21622	0.7
279.23062	1.3
313.25171	0.7
315.23166	0.9
317.24649	4.2
333.24194	6.5
335.25754	100.0
336.25992	1.1
337.27353	10.9
353.26971	1.1
489.36197	0.9
503.42368	0.8
521.43378	2.8
539.44098	1.5
543.40198	1.0
595.47137	15.9
613.48120	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	795.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
60.08126	0.4
61.02920	4.5
67.05491	4.1
69.03426	2.0
69.07072	2.4
69.45131	0.4
69.55940	3.0
71.04979	1.3
73.02907	3.6
79.05486	3.7
80.62145	0.4
81.03410	4.4
81.07047	4.6
83.04977	1.2
83.08588	1.9
85.02898	6.5
86.09686	1.1
88.62569	0.4
91.03957	2.7
91.05470	3.9
93.07039	3.5
95.04964	3.0
95.08590	2.1
97.02879	4.2
97.06538	0.5
97.10167	1.5
98.21149	1.4
99.04453	1.1
101.02351	2.0
103.03944	0.5
105.07018	2.7
107.04961	0.9
107.08580	1.7
109.02905	0.9
109.06525	0.8
109.10152	0.9
111.04392	1.0
111.08085	1.0
115.03864	0.5
117.06978	0.6
119.08567	2.4
119.60557	0.4
121.06470	0.6
121.10114	1.3
123.08030	0.9
124.99996	0.4
125.09588	1.0
127.03896	1.6
129.07019	0.9
131.08563	1.9
133.10129	1.9
135.11682	0.7
135.88966	0.4
139.03865	0.6
145.10115	0.9
147.08131	0.5
147.11694	1.8
149.09602	0.7
157.10149	1.4
163.11217	1.1
165.12781	0.4
166.35301	0.5
175.11223	1.3
184.07285	2.5
185.04251	0.6
185.07779	0.4
193.12215	2.0
201.03712	0.4
211.13252	0.9
243.08414	3.1
251.12672	1.1
276.61478	0.4
285.16858	0.5
291.19754	0.7
301.08978	0.6
349.19830	2.6
364.26413	0.5
373.11090	0.5
443.19327	0.5
469.20438	10.1
497.20209	0.5
541.22620	0.7
567.27588	5.0
649.21313	1.0
760.37555	0.4
777.39270	0.5
795.41260	100.0
796.41205	2.8
823.52783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.1
59.50418	0.5
59.78658	0.4
61.02919	4.5
65.03922	0.6
67.05495	4.9
69.03412	3.6
69.07053	2.0
71.04981	1.8
71.63448	0.8
73.02919	4.1
79.05485	5.2
81.03406	4.7
81.07046	5.3
83.04970	1.4
83.08609	1.9
85.02891	6.8
87.04445	0.5
91.03934	2.4
91.05454	4.6
93.07020	3.8
95.04951	3.1
95.08597	2.4
97.02875	4.3
97.06523	3.9
97.10143	0.6
99.04442	0.8
101.02366	2.3
105.07030	3.4
107.08588	2.5
107.09206	0.4
109.02856	0.9
109.06527	0.8
109.10138	1.3
111.04424	0.9
111.08054	0.7
115.03922	0.5
119.08575	2.7
121.10139	1.8
123.08084	0.6
127.03886	1.5
129.06990	1.0
131.08575	1.7
133.10135	1.8
135.11705	1.5
137.05788	0.7
137.09666	0.5
139.03865	0.8
145.04991	0.5
145.10144	0.6
147.11705	1.4
149.09683	1.0
149.13252	0.5
157.10149	1.6
159.11679	0.9
171.11726	0.6
175.11180	1.3
177.05397	0.5
184.07336	1.1
185.04195	0.6
193.12263	1.8
211.13219	0.7
211.46532	0.5
221.11490	0.5
243.08345	2.9
251.12523	0.8
255.15709	0.6
307.15234	0.5
349.19876	8.0
405.22662	0.9
425.61819	0.4
435.27432	0.8
436.28012	1.7
439.19516	1.6
453.21213	1.1
469.20392	9.3
567.27832	5.6
649.21240	1.0
667.32477	0.5
795.41193	100.0
796.41693	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	795.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.1
57.07076	0.6
61.02920	5.3
67.05495	3.8
69.03421	2.8
69.07068	2.0
71.01348	0.7
71.04979	1.0
71.61635	0.6
73.02905	4.0
73.74357	0.4
74.73054	0.4
79.05495	3.1
81.03413	3.4
81.07033	3.5
83.04978	1.1
83.08611	1.1
85.02898	7.2
87.04443	0.5
91.03949	4.7
91.05469	2.0
93.07034	2.4
95.01075	0.6
95.04988	1.3
95.08603	1.7
96.01874	0.7
97.02891	4.1
97.06544	0.7
97.10163	0.5
99.04442	1.1
100.36509	0.4
101.02369	2.8
103.03947	0.8
105.07015	2.0
107.04996	0.8
107.08603	1.6
109.02885	1.1
109.06525	0.4
109.10152	1.5
115.03959	0.6
117.05484	0.7
117.07008	0.5
119.08584	1.3
121.06483	0.7
121.10156	1.0
123.04199	0.6
125.09635	0.5
127.03922	2.3
127.11148	0.5
129.05464	1.9
129.06979	0.6
131.08574	1.1
133.10156	1.6
135.11697	0.9
145.04929	0.7
145.10107	0.9
147.11687	0.9
149.09665	0.6
157.10217	0.5
173.11815	0.6
175.11072	0.7
181.04727	1.0
184.07344	1.0
185.04199	3.6
186.04538	0.4
193.12241	0.8
199.13376	0.5
201.03658	2.2
203.05348	0.8
211.13300	0.7
223.13278	1.0
227.05305	0.5
243.08344	4.5
251.12495	2.6
263.12509	0.5
277.14227	0.5
285.16928	0.5
291.15656	1.1
301.05457	0.7
301.08878	11.9
307.15103	0.8
313.08914	0.6
315.10526	2.8
327.10666	1.3
333.20383	2.1
341.12189	0.7
343.13776	0.7
349.16104	2.0
355.13602	0.7
373.11060	4.0
373.23599	0.5
383.16888	1.8
385.18280	6.0
387.12674	1.2
395.16916	1.1
413.17599	2.1
429.17480	1.7
431.24310	1.8
433.25763	1.3
439.19434	2.6
443.18933	3.0
445.25696	0.6
451.20212	0.5
453.21069	0.7
457.20465	1.0
469.20392	11.4
470.20908	0.6
477.24661	1.0
481.20468	3.6
483.22458	0.6
485.19766	3.0
499.21262	2.0
511.21280	0.8
515.33453	1.1
527.21198	0.6
527.28290	1.0
528.21887	1.7
541.22491	6.9
549.26752	0.5
551.28192	4.2
555.24060	0.5
567.28442	0.7
569.26379	0.9
583.30530	0.7
611.30353	1.6
612.31097	1.7
623.30524	2.3
625.32483	0.6
637.31592	0.6
641.31494	3.1
651.34229	0.7
667.32935	3.7
684.72369	0.5
693.38513	0.9
709.33966	15.8
710.34528	1.3
716.64856	0.5
735.38593	0.5
749.41473	0.6
777.40497	2.4
795.40863	100.0
796.41156	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	797.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.1
57.15271	0.5
59.05002	0.9
60.41607	0.6
61.02901	1.3
67.01852	1.5
68.99776	4.0
69.03413	4.4
69.35299	5.5
71.04984	48.8
72.58404	0.6
73.02901	1.1
75.04460	2.0
81.03374	0.6
83.04961	1.4
85.02895	48.8
87.04448	1.8
91.05481	1.2
95.04963	1.4
107.04943	1.2
111.00778	1.1
111.04421	4.6
117.87087	0.6
118.77022	0.6
118.96693	0.6
119.98592	0.5
120.94105	0.6
121.02811	1.7
123.04378	1.2
127.03936	0.9
127.98914	0.6
129.05466	9.8
135.04419	1.5
137.02370	1.5
147.04349	1.3
147.06503	1.8
153.01808	70.7
161.02353	0.9
163.03891	13.7
163.05202	1.2
165.01808	2.9
167.03333	1.1
171.02937	1.5
175.03972	0.8
177.01822	5.1
179.03418	4.0
183.02910	2.1
187.03831	1.3
189.01810	1.2
191.03375	27.0
192.04134	1.5
193.01410	1.5
193.04991	1.3
195.02922	3.9
199.03883	1.0
200.74205	0.6
202.02551	1.4
203.03374	6.7
205.01349	0.9
205.04910	1.0
207.02881	2.8
209.72537	0.7
213.01894	0.8
215.03383	2.3
217.04982	1.1
219.02847	14.6
220.03622	3.7
221.04430	7.2
223.02277	0.7
227.03368	1.2
229.04976	1.5
230.02020	1.0
231.02849	28.2
232.03636	2.7
233.04431	2.8
235.02316	0.7
241.05042	1.1
243.02919	2.9
244.03607	1.0
245.04434	3.5
247.02371	19.9
248.03098	2.0
249.03799	0.9
253.04982	2.8
255.02934	2.8
257.04388	1.6
259.02332	6.0
260.03064	1.2
261.03983	2.7
263.05490	1.2
265.04996	0.9
267.02835	1.2
269.04507	1.2
271.02267	3.2
273.00650	0.6
273.03864	2.2
275.01810	0.9
277.03299	0.9
281.04462	1.9
283.02328	2.3
285.03995	3.5
287.01758	1.5
289.03409	1.1
293.04645	1.3
295.02393	1.7
295.05881	1.4
297.04037	1.7
299.01859	1.7
301.03540	2.1
305.04346	2.1
307.02380	1.0
309.03983	2.9
311.02029	0.8
311.05426	0.9
313.03445	6.5
321.03943	2.5
322.04681	0.7
323.02075	1.1
323.05594	2.4
325.03220	1.6
327.01416	0.7
329.02869	23.9
330.03604	1.0
331.04645	1.2
333.04050	1.6
335.01657	0.9
335.05399	1.2
337.03314	3.8
338.04095	0.9
339.01401	0.9
339.05029	1.6
341.02652	1.5
343.04541	1.1
347.05551	1.0
349.03552	2.0
350.04147	1.4
351.04938	3.7
353.02905	4.1
355.00836	1.0
355.04803	0.8
359.03943	6.5
361.03464	1.5
363.04947	2.1
364.02063	0.9
365.02817	8.1
366.03711	2.3
367.04410	2.0
369.02231	4.3
371.04434	1.7
377.02808	6.0
377.06146	0.6
378.03818	0.8
379.00632	1.4
379.04602	4.4
381.02365	1.5
383.04074	0.9
385.01880	1.7
387.05096	0.9
389.02847	2.3
391.04514	2.6
393.02197	6.7
393.06543	0.8
394.03186	13.1
395.03870	2.7
401.02695	0.9
405.02231	3.3
406.03082	1.0
407.03912	8.9
415.04849	0.9
417.02460	1.9
419.04099	2.4
421.01746	1.6
423.03751	1.4
429.02408	1.1
431.03949	1.7
433.01859	3.6
435.03555	6.0
439.03192	1.2
445.01453	1.3
447.03314	4.2
453.05081	1.4
457.05649	1.3
461.01498	2.6
471.03278	1.0
485.05270	0.8
489.01178	0.9
501.04059	0.7
513.04810	3.1
515.05945	1.1
525.04816	2.0
531.05292	2.0
541.03961	2.8
543.05597	1.3
553.03864	0.8
555.05524	1.2
559.04962	1.4
569.03778	2.6
571.04803	5.7
583.05457	1.1
587.04504	24.4
589.06122	2.7
595.04901	1.0
597.03052	2.3
599.05066	1.1
601.06268	1.4
605.05444	1.8
607.07111	1.9
611.04718	4.3
615.03967	57.6
616.04474	1.0
617.05475	1.5
627.04065	1.8
629.05328	2.8
633.05029	100.0
634.05859	1.8
635.05542	1.1
639.03955	7.8
645.05090	7.7
651.06036	16.5
653.05316	1.8
657.05060	17.4
663.06018	2.7
675.06311	7.2
681.04968	4.5
693.07117	1.5
697.08868	1.0
699.06305	9.3
707.06573	2.6
717.07764	1.2
725.07581	5.0
743.08466	3.9
761.09430	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35847	0.7
56.07627	0.7
57.03428	1.8
61.02925	7.0
61.15213	0.6
67.05503	6.5
69.03432	4.0
69.07069	1.9
69.28624	0.6
71.01358	0.7
71.04987	1.0
71.36074	1.0
73.02909	5.2
79.05486	4.2
81.03413	1.9
81.07052	5.2
85.02889	6.5
87.01434	0.6
91.03967	4.3
91.05485	2.1
93.07055	4.5
95.04947	0.8
95.08594	5.3
97.02888	6.4
99.04453	1.1
101.02412	2.6
104.36436	0.6
105.07043	1.5
107.08572	3.2
109.02927	0.7
109.10178	1.4
115.03864	0.7
118.80161	0.7
119.08559	1.2
121.10152	2.6
127.03938	2.3
131.08553	1.1
132.09425	0.6
133.10173	0.8
135.11700	1.4
179.53651	0.6
185.04295	0.8
243.08418	2.5
279.46027	0.7
295.74518	0.8
343.32813	0.8
417.77921	0.8
519.29175	11.7
610.90570	0.8
797.51636	100.0
798.51978	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	801.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	11.2
61.02915	3.3
65.03938	2.0
67.05166	1.7
67.05499	26.4
69.03419	23.4
69.07067	8.2
70.06561	1.4
71.01340	2.2
71.04990	11.3
71.61987	2.1
73.02912	2.7
79.05482	24.7
81.03410	100.0
81.06577	1.4
81.07048	27.7
83.04972	22.6
83.08614	18.0
85.02898	26.6
85.06515	3.0
91.03946	1.4
91.05470	37.7
93.07035	17.7
95.04968	26.9
95.08587	9.2
97.02882	21.8
97.06534	8.1
97.10148	8.4
99.04455	7.9
99.08083	2.8
103.03956	2.0
103.05446	1.3
105.07021	26.3
107.04930	10.9
107.08576	12.7
109.02871	17.5
109.06499	4.4
109.10119	5.0
109.76051	1.2
111.04445	9.2
111.08060	11.0
113.06027	2.5
114.69261	1.0
115.05424	1.8
117.07021	4.4
119.04920	2.1
119.08568	21.1
121.06514	6.0
121.10130	10.2
123.04411	3.9
123.08065	3.3
123.11708	4.3
125.05936	1.1
125.09621	4.4
127.03896	20.0
129.05447	3.3
129.06992	13.7
131.08562	11.5
133.06473	4.7
133.10138	9.3
135.04388	1.5
135.08051	2.7
135.11684	3.8
137.05934	2.3
137.09595	2.8
139.03865	3.3
141.06956	2.3
142.07736	2.6
143.08540	2.2
145.04892	2.1
145.06439	2.1
145.10127	4.5
147.04378	2.0
147.08029	3.7
147.11665	22.4
149.05966	1.4
149.09607	5.1
151.03946	1.9
153.12692	1.3
157.06473	1.2
157.10118	14.3
159.08020	2.2
159.11691	1.8
161.06020	2.0
161.09656	1.5
163.11156	6.0
165.05486	1.7
165.12686	6.9
167.07106	1.9
171.08113	1.3
173.04439	7.7
173.09645	2.5
175.11174	13.0
177.05299	1.4
181.12277	3.3
185.05998	1.3
185.13179	1.2
189.05492	2.4
189.11198	1.8
191.10699	2.5
193.12230	39.9
195.13844	1.2
205.12415	1.6
207.13857	1.9
211.13271	56.9
212.13734	1.4
213.12764	1.7
227.12794	5.3
229.14296	5.5
235.13342	1.7
237.12631	1.5
249.14934	2.6
250.06789	1.2
253.07085	1.7
253.72710	1.1
255.13939	1.8
259.13464	1.3
267.09164	1.9
267.15863	27.1
273.14734	3.9
277.14401	1.6
283.15530	2.7
285.10178	3.5
285.16913	23.2
301.14175	5.4
309.17218	1.4
319.15390	3.2
337.16418	4.8
355.17346	7.0
367.22653	2.0
375.18103	2.7
385.23547	3.5
393.18988	4.1
410.06061	1.3
411.20209	8.6
429.21204	11.2
438.17990	2.2
438.68195	2.6
459.27441	18.6
475.17734	1.3
477.28564	20.1
478.28299	1.7
495.29391	15.8
499.21695	1.7
519.29181	2.2
561.30267	1.4
567.29193	1.8
585.30695	7.1
603.31836	6.4
621.32739	16.3
639.33704	29.2
640.33698	2.0
709.94318	1.4
765.36841	2.3
782.63965	1.4
783.37988	10.8
801.37280	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	803.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	15.0
57.07058	2.9
59.04989	1.9
61.02912	4.7
65.03920	4.7
67.05496	71.9
69.03419	24.2
69.06718	2.0
69.07060	30.5
71.01366	1.8
71.04991	9.3
71.62848	1.9
73.02886	3.9
79.05483	66.1
81.03407	37.2
81.07047	100.0
81.23132	1.4
83.04974	16.4
83.08607	17.6
85.02891	12.8
85.06519	5.5
86.09697	1.5
87.04420	1.4
91.03947	1.9
91.05467	64.0
92.05777	1.3
93.07031	59.2
95.01285	1.3
95.04954	23.0
95.08593	44.6
97.02876	17.7
97.06524	18.4
97.10158	8.1
99.04442	7.9
99.08068	4.0
101.02377	1.2
103.05464	2.5
105.04551	1.8
105.07019	61.4
107.04934	13.9
107.08581	47.9
108.02082	1.3
109.02873	8.8
109.06500	12.8
109.10144	24.2
111.04427	5.3
111.08083	6.9
113.05991	1.8
115.05418	3.3
116.06211	1.3
117.07004	26.5
119.08569	49.6
121.06502	8.9
121.10126	24.3
123.04372	2.0
123.08063	10.4
123.11663	8.1
125.09619	5.5
127.03895	9.3
128.06242	3.3
129.05457	3.0
129.07004	14.2
130.07771	1.6
131.04918	1.4
131.08551	33.3
133.06461	4.5
133.10115	40.5
135.08046	13.7
135.11684	15.5
137.06032	1.9
137.09573	6.1
141.06972	4.8
142.07758	2.1
143.08562	13.5
145.04967	1.8
145.06468	3.7
145.09004	2.5
145.10106	29.5
147.08026	5.5
147.11667	23.6
149.09599	14.6
149.13255	10.9
151.11156	5.5
155.08551	7.0
156.09344	1.3
157.06506	1.4
157.10110	12.9
159.08035	4.8
159.11684	23.5
161.09587	4.1
161.13261	8.0
163.11111	9.1
163.14786	1.9
165.09044	1.5
165.12764	6.2
167.08502	1.8
169.05353	1.2
169.08755	2.1
169.10106	8.2
171.08028	2.7
171.11639	10.2
173.04448	17.2
173.05864	2.4
173.09660	3.3
173.11856	2.1
173.13223	11.0
175.11150	4.3
175.14801	3.1
177.12729	6.7
179.08427	1.5
179.14304	2.2
181.10133	2.8
181.12256	1.4
183.11667	6.8
184.07275	3.0
185.09563	2.6
185.13248	8.5
187.11192	5.0
187.13330	1.5
187.14830	3.5
189.11189	4.0
189.12715	2.1
191.14285	3.7
193.10117	1.4
193.12267	1.7
195.11688	5.4
195.13760	4.1
197.09666	1.6
197.13248	5.4
199.14828	2.8
201.12704	2.7
203.14299	1.6
205.12106	1.7
207.11736	2.6
207.13707	1.3
209.13197	3.4
211.11180	1.6
211.14828	1.9
213.12756	2.0
213.16350	1.6
215.14352	1.9
217.15866	1.9
219.17377	1.3
221.13223	1.6
223.14864	2.4
225.16481	1.7
227.12669	7.6
229.14319	4.9
229.19492	4.8
233.15334	1.6
237.16585	1.5
239.14352	2.1
239.17938	5.7
245.18974	2.7
247.20586	7.0
253.14220	2.0
257.18961	17.3
259.20572	3.0
263.20108	1.6
265.21713	1.5
267.15909	3.6
269.17294	10.3
273.18478	5.1
275.20029	80.7
276.20383	2.0
277.21634	2.8
287.20084	2.1
291.19449	3.1
293.21088	8.8
299.20047	2.4
301.21606	1.5
311.20007	1.9
313.21539	3.7
331.22528	4.0
333.24319	2.6
341.21167	2.2
349.23697	45.6
351.25256	3.4
367.24805	6.0
377.23285	1.8
383.22037	2.9
395.20694	2.4
401.23096	1.6
413.21738	2.9
419.24335	3.4
469.33109	1.5
473.32654	1.6
475.26584	2.9
493.27869	3.7
515.37421	2.3
525.35443	2.8
529.34857	3.1
531.37701	2.8
543.36749	28.0
544.37164	1.7
549.38959	2.3
559.36212	1.9
561.37433	2.3
583.38892	1.8
595.43188	4.2
605.41425	4.8
623.43024	28.7
641.44171	23.6
642.43994	1.9
659.44751	1.4
669.39081	2.2
683.44983	2.0
687.40735	6.5
705.41602	4.6
767.46661	3.8
785.48376	6.8
803.49500	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	803.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	24.1
57.07069	3.2
57.80321	1.3
61.02917	5.7
63.56284	1.4
65.03928	7.7
67.05495	76.4
69.03411	4.6
69.07059	17.2
71.04988	4.6
71.08628	1.7
71.62265	2.6
73.02899	1.7
79.05482	54.1
79.05954	2.7
81.03407	11.8
81.07047	68.2
83.04967	8.8
83.08604	11.3
85.02896	5.4
85.06532	11.9
91.03953	2.7
91.05467	69.2
93.07030	58.7
95.01322	3.4
95.04955	62.0
95.08591	39.8
97.02879	5.3
97.06523	8.4
97.10168	4.3
99.08077	1.8
103.05447	2.9
105.04504	1.5
105.07015	58.7
107.04942	20.1
107.08582	33.8
109.06502	65.4
109.10139	14.8
111.04462	1.4
111.08058	4.9
113.05986	39.1
115.05441	4.4
116.06242	1.8
117.07001	29.2
119.08557	35.9
121.06483	7.4
121.10123	16.9
123.04465	2.4
123.08046	11.0
123.11703	4.3
125.09594	2.2
128.06194	5.2
129.06992	16.0
130.07777	2.9
131.08549	38.2
133.06474	4.4
133.10100	27.9
135.08032	46.7
135.11693	17.7
137.09581	3.8
141.06984	4.6
142.07729	1.9
143.08513	17.4
145.06461	6.0
145.10094	26.0
147.08032	8.5
147.11676	20.4
149.09581	7.4
149.13258	7.2
153.12686	1.4
155.08548	5.1
157.10094	14.6
159.08052	4.8
159.11667	26.5
161.09566	9.5
161.13255	13.7
163.11185	5.1
163.14848	1.7
165.09131	1.4
167.08601	4.2
169.10109	7.9
171.08110	1.9
171.11656	13.1
173.05911	2.3
173.09563	1.8
173.13217	12.0
175.11168	5.2
175.14783	6.5
177.12715	5.0
179.08597	1.7
179.14302	1.8
181.10042	3.3
183.11685	4.6
185.13222	9.3
187.11180	6.5
187.14836	5.3
189.12680	3.0
189.16393	1.7
189.41444	1.5
195.11739	5.2
195.13632	2.5
197.13295	3.3
199.11168	2.3
199.14682	7.3
201.12766	3.1
201.16393	2.2
205.12105	1.8
207.11650	1.8
209.13292	3.1
211.14813	3.4
213.16422	1.7
217.05005	3.6
217.15840	12.0
219.13841	1.5
221.13184	2.1
223.14922	2.1
227.18002	2.7
229.15836	1.8
231.21234	1.4
237.16425	3.1
239.17955	2.8
241.14313	4.6
241.19481	13.8
243.21028	2.1
255.17392	4.0
257.19012	4.0
259.20514	15.4
273.18478	32.3
275.19986	7.4
279.15887	18.2
291.19510	77.0
292.19855	3.6
297.22003	2.1
312.40021	1.6
315.23151	5.9
327.26816	2.7
329.13666	3.0
333.24225	36.8
347.22122	7.2
349.23831	4.2
365.23166	19.9
385.16422	1.9
513.36493	5.1
531.38269	5.1
543.36591	4.7
549.39197	4.1
565.38910	3.2
567.40137	3.1
595.44470	1.8
605.41888	17.9
623.42969	100.0
624.43170	6.2
641.44031	29.5
642.44531	2.6
763.94836	1.6
803.47247	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	803.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	17.5
57.07071	3.9
61.02911	9.0
65.03929	3.4
66.93454	2.5
67.05499	93.8
69.03416	19.2
69.07064	44.1
71.04981	8.1
73.02923	5.7
79.05484	70.6
81.03409	36.2
81.07051	94.6
83.04966	17.3
83.08614	35.6
85.02895	15.8
85.06506	6.9
91.03946	3.6
91.05472	66.9
93.07033	69.2
95.01328	3.3
95.04948	29.3
95.08593	52.8
97.02877	13.5
97.06509	18.1
97.10156	31.1
98.21380	10.4
99.04454	3.4
99.08122	2.8
101.02345	3.7
103.31086	2.6
105.07014	65.7
106.26561	3.3
107.04955	14.8
107.08570	44.6
109.02874	4.5
109.06517	10.2
109.10139	30.0
110.81087	2.8
111.04443	4.1
111.08035	5.7
115.05424	4.4
115.19707	4.1
117.07003	30.4
119.08563	51.2
121.06473	9.6
121.10141	25.8
123.04454	3.7
123.08080	6.7
123.11678	8.3
125.09618	25.8
127.03896	3.4
128.06209	8.6
129.06992	25.1
131.04967	3.0
131.08551	40.6
132.08881	3.1
133.06499	7.2
133.10118	35.5
135.08026	13.8
135.11693	16.2
137.09625	6.2
139.11214	3.7
141.07002	9.9
142.07764	8.6
143.08521	24.7
145.06422	6.1
145.10107	38.2
147.08054	8.9
147.11658	29.3
149.09613	7.4
149.13254	10.2
151.11177	3.4
154.07823	3.9
155.08569	16.7
156.09351	4.4
157.10098	26.6
159.08080	4.7
159.11687	23.3
161.09650	7.2
161.13254	19.7
163.11134	8.4
163.14886	3.0
167.08553	9.7
169.10098	19.4
171.10307	5.0
171.11638	18.5
173.13269	15.0
175.11150	7.5
175.14848	11.0
177.12798	4.1
179.08582	3.5
181.10162	7.4
183.11678	17.4
184.31567	3.0
185.09569	5.1
185.13264	11.8
187.14816	6.1
189.11249	15.6
189.12706	5.8
193.12234	9.9
195.11731	11.2
197.13199	14.0
199.11191	4.6
199.14883	8.6
201.12762	4.9
201.16318	4.5
207.11856	3.6
209.13194	5.4
211.13081	5.6
211.14806	8.7
213.16405	5.1
219.11723	3.1
221.13203	6.1
223.14954	6.4
225.16293	7.0
227.12706	23.3
227.17928	4.1
235.14868	4.0
241.19505	13.1
241.21735	3.1
243.15871	3.2
245.13651	4.4
255.17543	4.3
257.19043	9.7
259.20490	22.5
267.15823	10.2
273.18527	13.7
275.20093	19.4
283.20416	3.2
285.21994	3.6
289.18024	4.0
289.21527	3.8
291.19482	47.6
299.23572	3.7
301.21545	4.3
313.21695	3.4
317.17874	4.0
333.24283	19.5
337.21555	4.4
349.23831	4.3
365.23224	17.8
377.28625	3.2
379.30106	6.4
385.24368	3.1
451.32025	5.2
511.34045	7.1
513.36298	5.5
525.35510	14.3
529.34906	9.3
531.37671	9.3
543.36700	30.6
549.39447	6.8
567.40839	3.8
587.39648	4.8
605.41705	21.4
623.33124	6.2
623.42993	100.0
624.43408	4.6
641.44025	37.7
687.40753	3.5
749.46667	5.2
767.46619	6.7
785.47595	10.1
803.49194	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	803.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	4.3
57.03419	11.1
57.07063	4.8
61.02904	4.8
65.03921	3.7
67.05497	81.6
69.03419	19.2
69.06721	3.7
69.07059	57.1
69.79153	2.8
71.04974	8.4
71.63029	3.4
72.44610	2.7
79.05050	5.5
79.05480	63.5
81.03407	35.4
81.07048	100.0
83.04972	18.6
83.08597	19.0
85.02873	12.1
85.10223	3.0
87.55006	2.9
91.05467	86.4
92.05775	3.3
93.07037	71.0
95.01319	8.2
95.04955	24.1
95.08593	57.3
96.22890	2.9
97.02875	11.9
97.06519	73.5
97.10148	11.2
99.04446	5.2
99.08100	4.6
103.05442	2.9
105.07014	94.3
107.04926	23.9
107.08580	44.7
109.02846	9.2
109.06487	10.1
109.10140	22.0
111.04422	3.8
111.08028	6.5
117.07021	31.5
119.08565	59.5
121.06474	9.5
121.10143	22.8
123.04404	5.0
123.08044	12.1
123.11703	9.7
125.09632	12.6
127.03882	6.8
128.06203	4.2
129.07013	13.7
131.08545	40.1
133.06435	5.2
133.10110	59.2
135.08022	9.7
135.11664	18.5
137.09618	9.9
139.07480	3.6
141.07001	6.1
143.08549	10.2
145.06491	4.1
145.10112	38.1
147.08006	7.1
147.11679	25.2
149.09615	20.4
149.13268	8.7
151.11107	3.6
155.08542	9.9
157.10136	13.4
159.11667	21.0
161.09639	5.5
161.13246	11.6
163.11143	11.7
165.09050	6.1
167.08417	3.3
169.10115	8.6
171.11667	10.1
173.04396	7.7
173.11861	3.1
173.13225	10.7
175.11143	5.1
175.14714	4.3
177.12744	6.4
179.14275	14.2
183.11620	6.9
184.07326	6.0
185.13182	5.7
187.11089	4.5
187.14815	5.6
189.11221	3.6
189.12750	4.1
195.11551	3.7
197.13301	5.6
201.16418	4.4
211.14902	3.7
227.12738	5.7
229.19498	5.3
239.17970	4.0
247.20567	4.7
257.18997	14.6
259.20538	5.2
269.17490	4.2
273.18320	3.9
275.20035	99.3
279.15771	2.9
291.19534	10.4
293.21085	10.1
317.17776	13.8
331.22705	3.8
333.24121	4.6
335.18884	9.9
335.25281	3.5
349.23740	55.4
358.20425	5.3
365.23590	4.4
383.21368	3.5
391.21469	8.3
395.20569	6.2
413.21591	9.6
525.35980	5.6
527.37317	3.5
543.36749	56.5
544.36096	4.6
605.41205	4.2
623.33344	4.0
623.43042	69.7
641.44543	14.3
687.40704	24.6
785.47675	4.1
803.47595	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	804.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74294	0.8
57.03429	12.2
57.07071	0.9
59.05004	1.3
61.02915	1.1
65.03937	1.4
65.81653	0.7
67.05496	35.5
68.32771	0.7
69.03421	7.8
69.07063	25.0
70.71957	2.5
71.01336	0.8
71.04985	6.0
71.08619	0.9
73.55289	0.8
79.05485	29.7
80.05823	1.2
81.03410	63.0
81.07047	31.6
83.04974	7.8
83.08611	20.1
85.02911	2.8
85.06500	1.8
87.04457	1.2
91.05473	27.5
93.07037	25.5
94.07367	0.8
95.04350	1.4
95.04958	25.4
95.05544	1.5
95.08595	12.5
97.02878	11.1
97.06519	5.5
97.10166	11.0
99.04436	1.2
99.08086	1.2
103.05482	1.1
105.07015	23.9
107.04939	10.3
107.08576	15.1
107.10668	0.7
109.02856	0.9
109.06511	7.0
109.10139	12.6
111.04423	2.3
111.08078	6.0
113.05991	0.9
115.05444	2.2
115.48679	0.8
117.07008	8.1
117.54353	0.7
119.04961	1.0
119.08573	22.7
120.08936	0.7
121.06503	5.8
121.10136	10.2
123.04463	1.3
123.08036	3.6
123.11710	1.9
125.09611	10.2
128.06212	1.6
129.06990	10.7
130.50281	0.8
131.08546	12.9
133.06476	5.9
133.10110	12.6
135.08025	5.1
135.11687	3.5
137.09641	3.5
141.06960	1.1
142.07776	2.4
143.08496	4.4
145.10094	8.7
147.07996	7.1
147.11676	9.0
149.09601	6.0
149.13269	1.9
151.11177	2.8
153.09074	1.9
155.08516	1.7
157.10115	7.7
159.08069	1.2
159.11687	3.1
161.09624	1.4
161.13263	1.4
163.11165	3.5
165.09163	2.0
165.12762	2.3
167.08481	1.0
169.10124	0.9
171.08034	0.8
171.11627	1.9
173.09659	1.4
173.13139	1.2
175.11188	8.2
176.75674	0.8
177.12750	1.7
179.14349	0.9
183.11772	1.3
184.07361	1.0
185.13187	1.3
187.11118	1.1
189.11217	4.3
189.12698	1.0
193.04901	1.1
193.12241	14.8
195.13828	1.6
203.14212	0.8
205.12260	2.2
211.13283	3.0
219.13806	4.1
223.13278	17.0
227.12741	5.6
227.17938	0.9
229.14319	1.0
233.15376	1.0
243.13608	0.8
249.14880	3.9
253.14310	4.6
267.15887	71.6
273.18481	9.7
275.19965	1.9
282.11038	0.9
283.15234	1.5
285.16827	1.3
287.19925	1.3
291.19498	64.0
313.21494	1.7
347.22168	1.4
365.23203	40.8
397.51898	0.9
445.25681	6.3
459.27545	3.9
463.26889	2.4
477.28394	4.7
483.30902	1.6
487.34369	2.1
527.37170	1.5
539.33643	6.6
557.34686	100.0
558.35144	3.0
575.35492	2.0
589.37030	1.3
609.44836	2.7
627.46118	1.4
706.78723	0.9
740.78845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03688	0.7
67.05498	1.2
69.03411	2.2
69.07061	0.9
70.12117	2.9
71.04977	1.0
79.05463	1.6
81.03413	2.1
81.07052	1.4
82.06567	1.1
85.02877	5.2
89.51204	0.7
91.05454	2.2
93.07034	2.8
94.06563	3.7
95.04935	1.7
95.07301	0.7
96.08112	2.8
97.02873	1.8
99.26953	0.8
103.05418	1.0
105.07011	1.7
106.06608	1.0
107.07353	1.0
108.04442	2.4
108.08103	7.4
110.09689	7.0
120.04436	3.4
120.08079	6.3
122.05995	5.4
122.09633	1.0
123.04420	0.7
124.07598	4.7
127.03918	1.0
134.05977	3.0
136.07552	9.6
138.09119	10.3
139.03891	1.5
144.04437	3.3
146.05969	4.1
147.11719	0.8
148.07591	3.8
150.09102	1.6
152.07014	2.1
160.03928	2.8
162.05495	3.6
164.07063	2.6
166.08614	15.1
167.07118	1.6
172.03894	24.2
172.07535	1.0
174.05589	1.4
176.07021	2.2
182.09644	0.9
188.07129	1.2
190.04956	16.6
196.09712	0.9
197.10643	1.8
199.08626	0.9
204.06528	41.5
210.09238	1.6
211.08617	2.4
225.10197	9.2
226.10921	1.4
227.11728	11.1
236.09377	2.4
237.02821	0.8
237.10252	2.7
238.07239	0.8
238.11040	1.2
239.11728	4.3
241.09674	0.8
241.13306	1.5
249.10246	2.0
251.11734	2.8
253.09756	5.1
255.11160	2.1
263.08072	1.4
263.11761	0.8
264.08942	3.0
265.09644	2.1
267.11188	2.5
269.12820	16.9
271.10745	10.2
273.12381	3.7
277.09827	1.1
279.11237	2.7
281.12796	1.1
283.10703	6.5
284.11520	3.7
285.12466	4.5
287.13870	13.2
295.10782	2.3
296.11600	1.0
297.12329	9.0
299.13821	5.2
300.11514	1.0
307.10736	2.2
310.12967	1.0
312.15012	1.4
313.12683	0.9
314.12918	1.3
315.13538	2.1
316.10919	0.9
316.14319	1.1
321.08432	1.5
323.10141	7.6
325.11746	14.3
325.15408	1.2
327.13379	3.2
328.10657	2.0
328.14346	2.6
329.14975	1.5
330.12250	1.0
330.15848	2.1
331.16855	1.4
337.11655	1.1
339.13211	1.3
342.12265	5.3
342.15964	1.2
343.12970	7.1
343.16431	1.2
344.13849	1.3
352.14798	0.9
354.12122	1.4
355.12967	1.4
356.13834	6.8
357.14401	21.4
358.15451	4.5
365.11285	1.0
367.13144	1.0
369.10867	1.0
370.15536	4.7
371.16003	1.3
372.17688	0.9
374.18716	1.0
382.11902	2.5
383.12601	1.3
384.13092	4.3
385.14032	2.1
386.14453	1.6
386.18820	3.6
390.18063	3.1
394.15329	0.9
397.14612	1.2
398.14944	16.5
399.15692	26.5
400.16644	1.8
402.18393	1.5
404.15836	5.0
412.16284	2.0
414.18256	4.3
416.15967	17.1
417.15613	1.3
422.16849	2.4
428.16037	4.2
430.17242	4.1
440.15833	6.7
440.68839	1.2
446.17078	7.1
447.18073	1.0
458.17032	27.0
459.17694	1.1
469.15494	0.9
478.19785	1.6
487.17047	10.2
490.19717	8.8
491.20441	1.0
505.17847	1.0
519.19202	1.8
523.23096	1.2
541.23962	1.0
547.66547	1.0
567.25623	1.4
569.23792	3.2
571.37866	0.9
593.24078	4.2
611.24896	100.0
612.24756	2.7
625.25201	0.9
643.27545	25.2
644.27655	1.1
755.28845	1.2
773.30127	29.4
805.32678	2.8
811.71558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
57.03423	0.7
65.03929	1.3
67.05489	1.4
69.03412	1.9
69.52837	4.4
70.06578	0.5
71.04962	0.7
73.02898	0.6
74.42128	0.5
79.05471	1.9
80.04964	0.6
81.03423	2.6
81.05791	0.5
81.07049	1.6
82.06553	0.7
85.02901	3.7
87.04475	0.6
91.05470	2.2
92.05017	0.7
93.05800	0.9
93.07018	2.3
94.06564	4.3
95.04974	1.9
95.07337	1.8
95.08613	1.0
96.08110	4.1
97.02875	1.8
97.06509	0.8
98.97547	0.6
103.05474	0.7
105.07018	1.4
106.06570	1.1
107.04942	0.9
107.07342	0.9
108.04465	1.8
108.08102	7.8
109.02884	1.2
109.06483	0.6
110.06009	0.6
110.09658	5.8
111.04457	0.7
116.04951	1.0
117.07042	0.8
119.04987	0.6
119.08557	1.2
120.04447	3.4
120.08071	6.0
122.06000	5.1
122.09668	1.7
123.04422	2.8
124.07586	5.5
127.03864	2.7
131.04936	0.7
132.04477	0.8
134.05980	2.8
135.04431	1.9
136.07555	9.0
137.05983	0.8
138.05498	1.0
138.09117	8.8
139.03874	7.1
144.04414	3.8
145.06493	0.9
146.05959	5.0
147.04372	1.2
148.07556	3.2
148.91072	0.6
149.01112	0.6
150.09145	1.6
151.03920	2.3
152.07069	1.8
157.06502	0.5
160.03937	3.5
161.05977	0.6
162.05515	2.9
163.03864	2.4
164.07060	1.3
165.05453	0.9
166.08615	14.3
167.03371	0.7
167.07014	4.6
168.08127	0.7
172.03917	19.0
172.07535	1.4
173.04512	0.6
173.05957	1.3
174.05507	1.6
175.07462	0.6
176.07072	3.0
177.05437	1.1
179.03413	1.6
181.04997	2.0
181.08990	0.7
182.09633	0.8
183.09160	1.0
184.09917	0.6
186.05559	0.8
189.05385	0.6
190.04962	14.4
191.03395	1.0
191.06990	0.8
192.06538	0.6
193.05028	0.6
195.09267	0.7
197.10712	1.6
199.12260	1.5
199.14040	0.6
201.05495	0.8
203.03461	0.7
204.06534	36.2
205.05009	0.6
205.06805	0.9
209.10760	1.3
210.09236	1.3
211.08669	2.3
212.09415	1.8
213.10338	0.7
221.10802	0.5
223.08752	0.6
223.12332	0.9
224.09402	1.5
225.10213	7.8
226.10973	0.8
227.11768	11.2
229.04971	1.4
234.08865	0.6
236.09308	1.1
237.02660	0.8
237.10217	3.5
238.10928	1.3
239.11859	3.8
241.09764	1.4
241.13365	0.9
243.11240	0.8
245.04607	0.6
245.12851	1.0
247.06114	1.8
249.10205	2.3
250.11021	0.6
250.28032	0.6
251.08105	1.1
251.11758	3.3
252.08917	0.7
253.09679	5.4
253.13480	0.8
255.11252	1.8
257.04504	0.9
257.12955	0.7
263.08188	0.9
263.11835	1.6
264.08923	3.4
265.09781	1.8
267.11331	2.2
269.12817	13.5
270.10251	0.7
271.06189	0.8
271.10709	8.1
273.12244	3.2
275.05472	1.2
277.09763	1.8
278.10498	0.8
279.11304	4.8
281.12885	1.4
283.10733	5.0
284.11444	3.5
285.12259	6.0
286.13132	1.0
287.05536	1.9
287.13855	13.7
289.07126	1.2
291.11334	0.9
293.09225	0.8
294.10028	0.9
295.10770	1.4
296.11475	0.9
297.12299	8.1
297.15320	0.8
299.05243	0.8
299.13922	3.3
300.11453	0.5
301.06882	0.7
302.12875	0.7
303.04962	0.6
307.10797	1.6
309.12167	1.4
311.10281	0.6
311.14401	0.9
312.11682	0.7
312.15002	1.3
313.12125	0.8
314.12970	1.7
315.13467	0.8
316.10989	1.2
316.14484	1.4
319.10837	0.5
321.12238	0.7
323.10156	5.7
325.11783	16.7
326.13065	0.7
326.16705	1.6
327.13568	2.2
327.17303	1.2
328.10770	2.8
328.14612	1.4
329.14941	2.2
330.12448	0.9
330.16058	1.6
331.16815	1.4
333.41141	0.5
335.10455	0.7
337.11633	1.0
339.14029	1.2
340.14600	0.9
341.11829	1.1
342.12384	4.8
342.16098	1.7
343.12769	8.4
344.13940	1.1
344.17627	0.7
352.14157	0.6
353.12833	1.1
354.12247	0.7
354.16211	1.2
355.13492	1.5
356.13812	4.2
357.14420	18.2
358.15341	3.8
365.11520	0.8
366.16180	1.1
367.13153	1.4
368.13895	0.9
370.11600	0.9
370.15594	4.1
371.15631	1.8
372.17163	1.3
378.18155	1.0
380.13980	1.1
382.11703	2.6
383.12567	2.0
384.13135	3.8
384.17493	0.5
385.14017	2.7
386.14923	2.0
386.18790	2.3
387.15207	0.8
389.16132	1.1
390.18015	3.5
394.15396	1.3
397.15128	0.9
398.14960	16.6
398.19904	1.0
399.15723	23.7
400.16525	1.8
401.13531	0.8
402.18118	1.5
404.16068	5.0
412.16544	2.2
414.18350	3.8
416.15973	15.9
417.15771	2.4
422.16861	2.1
427.10135	0.9
428.15985	3.4
430.17383	2.6
440.15970	6.0
441.14749	1.4
446.17044	8.9
448.18744	0.7
458.17059	27.4
459.17462	1.4
460.18991	0.6
472.18866	0.7
473.17990	0.6
478.19601	2.7
479.17227	1.2
487.17020	8.0
488.17957	0.6
490.19769	9.4
497.17789	1.2
505.17630	0.9
519.19751	1.5
520.21118	1.0
522.22369	1.6
539.26202	0.8
541.24561	0.8
565.24792	0.8
567.25739	1.1
569.23749	3.4
583.25482	1.3
593.23669	6.3
611.24927	100.0
612.24982	4.2
626.25024	2.1
643.27576	13.7
644.27405	0.9
745.30176	1.2
755.28522	0.7
773.30212	21.5
774.30994	1.1
801.22833	0.6
805.32214	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
58.86100	0.3
61.02898	0.4
67.05487	0.8
69.03074	0.3
69.03430	1.4
69.54726	1.5
69.55156	1.0
71.04983	0.5
72.08164	0.4
75.68427	0.3
79.05486	1.2
79.65356	0.3
80.04989	0.5
81.03415	1.5
81.07058	0.9
82.06575	0.4
84.46341	0.3
85.02894	2.2
91.05467	0.8
92.41392	0.3
93.05756	0.5
93.07037	1.9
94.06541	2.0
95.04917	0.6
95.07331	1.0
95.08609	0.4
96.08127	3.7
97.02873	0.9
97.06522	0.4
103.05473	0.6
105.07024	0.5
107.07293	0.3
108.08105	4.5
109.02887	0.4
110.09663	5.5
119.08559	0.4
120.08086	4.5
122.06039	2.7
122.09657	1.0
123.04421	1.2
124.07571	1.3
127.03913	0.9
135.04419	0.8
136.07561	6.4
136.08521	0.4
137.05939	0.4
138.09125	9.8
138.83389	0.3
139.03874	2.5
145.10138	0.3
146.09650	0.5
147.04306	0.5
148.07570	2.5
150.09105	1.8
151.03918	0.7
152.07089	0.6
161.06049	0.4
163.03935	0.8
164.07045	0.8
165.05551	0.3
166.08623	13.0
167.03455	0.3
167.07033	1.7
179.03355	0.5
181.04944	0.6
189.05353	0.4
191.03403	0.7
204.10342	0.3
209.10779	0.4
211.08684	0.6
220.09831	0.4
221.10686	0.4
223.12335	0.3
225.10313	0.6
227.11850	0.4
233.04462	0.4
235.08626	2.6
235.12320	0.7
236.09441	1.0
237.10208	5.4
238.10976	3.1
239.11699	3.2
239.58325	0.3
247.06003	0.9
247.08685	2.3
248.09441	3.0
249.07597	0.3
249.08044	0.2
249.10202	9.4
250.10985	10.5
251.07950	0.4
251.11769	9.2
252.12546	1.4
253.09735	1.2
253.13390	0.9
257.04456	0.8
261.10220	3.8
262.11005	3.7
262.13593	0.5
263.08585	0.9
263.11768	25.3
264.08951	1.2
264.12564	2.6
265.09753	3.6
265.13376	5.0
266.10382	0.9
267.11176	1.7
269.09430	0.4
269.12631	0.5
271.06018	0.3
273.55960	0.3
275.05502	0.5
275.11932	0.6
276.08615	0.3
277.09644	4.8
278.10449	2.9
279.11258	20.4
280.11920	0.9
281.09702	0.6
281.12827	3.6
282.09991	2.3
283.10715	1.4
283.14029	0.3
285.12497	0.6
287.05490	0.5
289.06979	0.4
289.09814	2.2
290.10559	0.6
291.11243	13.5
292.12070	2.4
293.09198	1.1
293.12854	4.8
294.09927	0.6
294.13065	0.3
295.10858	3.5
295.14212	0.5
296.11502	1.8
297.12299	3.4
298.13058	0.6
303.07761	0.3
305.09274	0.9
307.10727	6.8
307.14072	0.5
308.11438	0.4
309.12302	10.5
310.13196	0.5
311.13809	3.0
313.11856	0.7
314.16342	0.4
315.05106	0.3
317.09296	0.6
318.09714	0.5
319.10745	5.6
321.12378	1.0
323.10260	1.6
323.13947	4.2
325.11789	3.9
327.13715	0.5
328.14359	0.8
330.15973	0.6
335.10150	5.1
336.10953	3.1
337.11789	32.4
338.12097	0.6
339.13596	1.1
340.14236	0.6
341.14996	0.3
342.15945	1.6
343.15921	0.4
344.17456	0.4
351.12973	0.6
354.16290	0.5
355.12857	10.9
356.13715	2.3
356.17581	0.6
357.14410	22.5
358.15286	0.6
367.12857	13.3
368.13675	3.2
369.14410	16.9
370.15338	1.9
371.15427	0.9
372.17249	0.5
374.18649	0.4
375.19427	0.4
377.76794	0.3
382.15475	0.6
384.17300	0.5
386.14700	0.4
388.16275	0.4
389.16000	0.7
398.14633	0.5
399.15326	0.3
400.16162	0.6
401.17380	0.4
402.18307	1.0
402.80667	0.3
403.18787	4.5
414.18185	0.5
416.15497	0.6
416.20309	0.4
417.15497	0.6
427.10233	0.5
428.16086	0.8
429.16635	0.5
430.17191	0.6
432.19156	1.4
442.17557	0.9
444.19189	2.2
446.16800	0.7
447.17667	0.9
458.17099	0.8
460.18747	1.9
462.20178	0.6
470.17255	0.7
471.17914	0.3
472.18600	0.8
474.20337	0.4
475.21091	0.5
476.21622	1.2
478.19815	2.1
488.17862	2.4
489.18484	0.6
490.19717	9.9
492.21161	2.0
493.21927	0.3
494.22665	1.2
496.19205	0.3
497.18112	0.5
502.19424	1.2
503.20242	0.5
504.21121	2.0
520.20746	35.7
521.21442	6.0
522.22302	100.0
523.22382	1.5
565.24078	0.4
593.23187	0.5
611.24957	2.4
625.26605	2.3
635.20526	0.4
643.27637	7.8
650.22931	0.7
651.24176	0.4
652.24530	2.4
682.26135	4.0
683.26953	3.2
684.27551	19.9
737.27789	0.4
805.30341	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	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	1.9
57.03431	27.8
57.07050	3.0
65.03936	6.3
67.05497	95.9
69.03409	3.0
69.07058	16.7
70.07627	3.7
70.08028	2.0
71.04976	4.3
79.05481	49.3
80.06263	1.5
81.03400	4.3
81.07046	57.7
83.04975	3.2
83.08631	8.9
84.01019	1.1
85.06528	15.9
86.09687	4.2
91.05472	41.8
93.07032	49.7
95.04955	68.9
95.08592	38.0
97.06512	6.4
97.10127	2.0
99.08062	1.5
105.07015	31.4
107.04942	11.4
107.08588	28.2
109.06503	62.9
109.10152	12.1
111.08066	3.9
113.05990	33.2
115.05414	2.8
117.06998	13.5
119.08553	16.7
121.06481	5.8
121.10137	16.4
123.04415	1.1
123.08061	3.9
123.11690	3.9
124.99975	3.9
128.06204	3.5
129.06981	8.9
130.07727	1.8
131.08553	24.3
133.06490	4.2
133.10107	14.1
133.84927	1.1
135.08038	47.2
135.11707	9.9
137.05959	1.8
137.09627	1.9
143.08556	8.2
145.06448	1.8
145.10109	14.4
147.08029	7.2
147.11653	5.3
149.09599	5.1
149.13258	4.4
155.08495	1.7
157.10101	7.5
159.08003	3.2
159.11693	7.7
161.09587	9.7
161.13211	2.4
163.11148	4.2
171.11664	4.4
173.13257	4.6
175.11163	2.6
177.12750	3.5
181.35489	1.1
183.11665	1.9
184.07355	11.8
185.07620	1.8
185.09442	1.4
185.13188	2.5
187.11179	1.9
187.14812	1.4
189.12801	1.7
189.16235	1.3
195.11688	1.5
199.11163	1.8
199.14766	3.1
201.12755	2.3
217.15836	11.7
227.17976	2.5
245.18983	2.6
255.17355	2.0
261.22174	1.9
273.18448	34.2
280.30624	1.6
291.19495	100.0
292.19803	2.6
309.20486	2.6
315.48508	1.3
335.25751	94.4
336.25912	2.2
347.22067	11.0
365.23184	16.2
443.16885	1.3
485.88776	1.2
503.38770	1.3
567.40125	4.1
607.43433	18.7
625.44525	84.6
626.44336	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.1
57.07058	2.0
58.07338	1.0
59.04978	1.9
61.02902	1.9
63.97227	1.1
65.03932	3.7
67.05119	1.6
67.05493	57.4
69.03434	9.4
69.07056	29.2
69.96038	7.1
71.04976	8.8
79.05481	51.2
81.03405	87.7
81.07045	60.6
83.04967	12.0
83.08606	28.7
85.02888	4.8
85.06521	4.6
86.87215	1.2
88.96453	1.2
91.04890	1.3
91.05466	48.3
93.07028	50.0
95.04955	37.2
95.08592	29.1
97.02871	4.4
97.06518	12.6
97.10156	16.6
99.08069	2.9
103.05435	1.1
105.04501	1.1
105.07018	37.1
107.04938	15.1
107.08580	35.5
109.02890	1.6
109.06480	9.5
109.10141	14.7
111.04432	2.5
111.08074	10.0
115.05430	2.6
117.06997	14.3
119.04961	2.0
119.08562	32.6
121.06492	8.1
121.10121	21.2
123.04403	1.9
123.08052	5.2
123.11697	2.4
125.09626	17.7
127.03909	2.8
128.06203	1.8
129.05460	2.4
129.06982	15.5
131.04854	1.4
131.08545	25.2
133.06442	5.3
133.10112	22.5
135.08031	7.1
135.11690	15.3
137.05983	2.6
137.09593	5.2
141.06895	1.2
142.07719	3.6
143.08534	5.8
145.06444	5.6
145.10110	15.3
147.04338	1.2
147.08020	6.0
147.11655	16.8
149.09610	14.5
149.13277	7.8
151.11163	2.5
153.09070	1.6
155.08543	3.6
157.10098	16.9
159.08057	3.7
159.11668	11.2
161.09630	3.1
161.13229	3.9
163.11133	10.4
165.09129	1.3
165.12767	2.9
169.10100	3.8
171.10237	1.3
171.11652	4.5
173.09595	3.1
173.11794	2.6
173.13251	4.7
175.11166	10.7
175.14746	1.7
177.12680	3.9
181.10211	2.0
181.12134	2.2
183.11671	4.9
185.13245	3.9
187.11211	1.9
188.74045	1.4
189.11176	7.6
189.12682	2.0
193.12213	23.8
193.42944	1.1
195.13737	4.2
197.13254	3.1
199.14827	2.9
201.12735	1.7
203.14296	1.2
205.12254	1.8
209.13269	1.4
211.13229	3.7
213.12755	1.4
217.15790	1.5
223.13191	2.5
227.12703	16.1
229.14348	3.7
239.14189	1.7
239.17976	1.6
245.13690	2.8
247.20583	1.4
249.14790	3.7
253.14206	1.6
255.15828	14.3
257.19031	5.3
267.15878	96.4
268.16360	2.7
269.17416	26.1
273.14841	1.8
275.20004	24.6
276.20316	1.3
291.19589	2.5
293.20944	2.0
297.21991	1.4
299.19934	2.9
301.14313	3.4
301.20078	1.3
309.16776	1.5
331.22516	1.8
337.21399	1.7
349.23691	30.7
351.23364	2.7
355.22226	2.2
367.24939	6.9
369.23947	2.8
373.23776	1.6
387.25336	3.2
388.36816	1.3
417.25815	1.4
419.23941	2.4
421.25830	5.2
429.26056	1.7
431.29559	1.8
435.27298	3.1
437.25394	2.6
443.28021	11.1
447.27414	37.2
449.30347	4.5
459.27167	3.3
461.28946	100.0
462.29279	4.3
467.31290	4.8
477.28424	2.4
493.31653	14.9
501.31622	2.1
503.29761	2.3
511.32785	1.7
513.36047	1.5
523.33978	3.5
525.36151	1.2
541.35181	72.6
542.35236	4.3
559.36169	32.9
569.30396	2.0
573.37775	2.2
583.36230	1.3
587.31946	1.6
591.37830	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	806.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.3
64.54675	1.4
67.05501	19.2
69.07074	12.0
71.05009	1.6
71.28561	2.5
71.28906	1.8
76.80346	1.4
79.05485	15.0
81.03394	2.9
81.07053	23.1
83.08603	2.9
86.09727	1.5
91.05470	16.1
93.07031	18.9
93.36071	1.4
95.01315	2.3
95.04957	4.0
95.08603	16.6
97.06524	6.9
104.49623	1.4
105.07016	25.4
107.04938	5.0
107.08580	9.1
109.10170	4.9
117.06993	3.8
119.08590	15.5
121.10157	4.6
131.08572	8.0
133.10104	15.0
135.11682	5.1
137.09624	2.0
143.08566	1.5
145.10120	5.7
147.11679	4.9
159.11679	3.9
161.13249	1.5
163.11142	1.8
177.12759	1.7
179.14288	7.0
183.11769	2.3
184.07410	5.1
219.17381	11.7
236.78952	1.5
251.83264	1.5
275.20041	24.0
293.21011	2.6
335.25766	43.3
349.23727	16.3
564.20441	1.6
609.45074	100.0
610.45319	4.7
838.01965	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
57.05245	0.5
60.77071	0.4
61.02914	0.9
62.90244	0.4
65.03934	0.8
67.05488	1.3
69.03415	4.0
69.03757	0.6
69.48772	2.3
69.49200	1.9
73.02935	0.4
77.03920	0.7
79.05488	1.9
80.04989	0.8
81.03413	2.1
81.05772	0.6
82.06572	0.7
85.02892	4.8
87.04447	0.6
87.75314	0.4
89.03928	0.4
91.03963	0.5
91.05469	2.2
92.05048	0.5
92.47464	0.5
93.05767	1.1
93.07021	2.4
93.47811	0.5
94.06552	5.7
95.07343	1.8
95.08592	0.7
96.04496	0.5
96.08113	6.9
97.02888	2.4
97.06489	0.6
98.20694	0.5
99.04435	0.6
103.05455	0.9
106.06561	2.8
107.07302	2.3
108.04448	0.7
108.08096	14.7
109.02881	1.5
110.06052	0.7
110.09664	9.9
111.82285	0.4
116.04960	1.0
118.06498	0.8
119.07265	0.4
120.04419	2.8
120.08078	9.7
121.06478	0.8
121.08927	1.0
122.06006	9.6
122.09646	3.6
124.07565	6.7
127.03883	1.3
132.08043	1.2
134.05980	2.3
134.09628	0.5
135.06749	0.5
136.07553	27.2
137.08319	0.8
138.05479	0.8
138.09105	16.0
139.03899	1.4
144.04408	2.3
145.05025	0.5
146.05991	7.7
146.09622	1.0
148.07544	15.3
150.09120	10.9
152.07043	21.3
154.08665	0.7
158.06041	0.5
158.09595	0.5
160.03964	1.5
160.07582	1.8
162.05487	2.9
162.09129	0.9
164.07040	7.1
165.07933	0.6
166.08615	40.6
167.07060	1.1
172.03908	22.9
173.04341	0.8
174.05559	2.1
174.09116	1.9
176.07047	3.2
178.04929	0.5
178.08632	0.6
182.08165	1.4
184.09885	0.6
190.04965	15.6
190.06717	0.8
192.06575	1.1
194.08171	0.9
196.09918	0.8
197.10779	2.0
198.09517	0.4
198.11377	2.5
199.12273	1.8
204.06522	33.8
205.06956	0.9
208.09740	0.6
209.10803	1.7
210.11441	3.9
211.08685	0.9
211.12265	7.1
212.09262	1.0
212.12897	2.4
213.10295	1.0
218.08160	2.1
221.10776	0.6
222.07594	0.6
222.11464	1.1
223.08752	1.3
223.12250	5.1
224.09473	1.7
225.10194	6.4
225.13649	2.3
226.10971	4.8
227.11740	6.1
229.09773	0.9
229.13348	1.7
232.09845	0.6
234.11371	0.6
235.08618	1.1
235.12292	1.7
236.09454	1.2
236.13094	0.6
237.10187	8.1
237.13777	1.1
238.10947	6.2
239.11734	10.1
240.12494	0.8
241.09721	1.1
241.13448	2.2
243.11269	1.0
245.13052	0.7
246.07645	1.2
248.09398	0.8
249.10178	7.1
250.10924	5.9
251.08165	0.8
251.08676	0.8
251.11746	14.4
252.09026	1.7
252.12460	3.8
253.09715	3.4
253.13321	5.2
254.10356	0.6
255.08878	0.8
255.11249	4.2
256.12000	2.5
257.12897	1.8
259.14429	0.7
262.10931	2.6
263.08060	1.7
263.11743	15.0
263.14389	0.9
264.08783	4.9
264.12466	4.3
265.09756	6.8
265.13382	8.0
266.10483	3.9
266.13660	0.5
267.11246	17.3
268.11975	2.3
269.12817	6.9
271.10803	2.2
271.14404	4.3
273.12167	2.7
275.11862	1.0
276.12656	0.8
277.09784	2.9
277.13309	1.0
278.10321	3.2
279.11234	28.7
280.11969	5.3
281.09714	1.1
281.12790	10.3
282.09961	1.3
282.13565	2.0
283.10788	5.2
283.14111	1.0
284.11511	10.2
285.12292	35.4
286.12854	1.3
287.13953	2.3
289.15421	2.4
290.10422	0.6
291.11243	13.8
291.14362	0.8
292.11920	4.1
293.09244	2.0
293.12680	10.6
294.10168	0.7
294.13541	1.1
295.10825	3.7
295.14456	1.6
296.11478	5.9
297.12283	45.6
298.12885	4.1
299.13818	5.7
302.16467	0.8
306.09918	0.5
307.10739	2.3
309.12299	18.7
310.13110	3.7
311.10263	5.3
311.13919	4.5
312.10977	0.9
313.11996	2.0
315.13297	0.8
319.10687	9.0
320.11163	0.5
321.12259	9.9
322.12875	1.3
323.10208	10.5
323.13950	0.8
324.10831	1.3
325.11801	17.6
326.12546	1.6
327.13297	10.3
328.14169	1.3
329.15118	0.7
330.16153	0.7
331.16821	0.8
332.17435	0.7
337.11761	45.5
338.12396	3.0
339.13345	6.7
340.14377	0.6
341.11353	2.0
341.15146	1.3
342.12234	0.6
342.16129	0.7
343.12772	3.5
344.17557	0.8
346.15469	0.7
346.19214	1.1
348.20645	0.7
351.12988	0.9
354.15924	0.6
355.13000	3.7
356.13681	1.2
357.14420	11.5
358.15289	1.5
359.16119	2.0
362.18549	0.8
367.12860	1.0
369.14474	5.3
370.15228	1.4
371.16052	1.9
372.17102	1.4
373.13828	3.0
374.18585	1.5
376.20642	0.9
384.17029	0.9
385.13742	2.7
386.14694	1.0
386.19061	1.1
388.16272	1.1
390.18042	2.1
392.19739	1.3
399.15710	1.4
400.16364	2.7
401.17188	1.1
402.18201	2.7
404.19858	4.3
406.17450	1.0
412.16635	2.2
414.17926	1.7
416.19785	1.3
418.17548	1.6
420.19366	1.2
421.19897	1.2
422.20685	2.2
424.16675	0.6
428.19632	0.8
430.17520	7.3
431.18091	1.3
432.19205	7.0
434.20865	0.7
436.18643	1.9
442.17453	2.3
444.19107	1.6
446.21042	3.8
448.18591	18.5
449.09848	0.7
449.19379	12.1
450.20224	10.8
456.18948	0.6
458.17065	0.7
460.18619	12.5
461.19327	2.4
462.20120	4.6
463.20966	1.4
472.18616	1.6
474.20325	3.8
476.17862	4.7
477.18851	6.0
478.19568	5.1
478.24304	0.5
480.21191	3.4
487.16959	5.0
489.18686	1.3
490.19638	24.8
491.20370	2.3
492.21085	9.2
492.27408	0.8
505.18362	1.3
506.22617	1.3
508.20972	0.8
519.19183	0.7
522.22284	16.1
523.22925	3.1
566.24713	0.9
594.24628	2.6
595.25391	8.8
596.25964	0.6
608.26056	1.2
609.26923	0.6
611.24084	2.6
612.25293	4.1
613.26453	100.0
614.26733	4.9
634.23785	1.5
636.25543	1.8
645.29041	16.3
646.28900	0.7
652.24945	19.5
653.25629	7.7
654.26611	3.7
684.27643	12.1
685.28424	4.3
757.30194	1.6
775.31665	32.0
776.32104	2.0
807.34222	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	807.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	1.2
64.86595	0.6
65.03922	1.0
67.05482	1.6
69.03416	4.2
70.89497	1.3
71.19209	0.7
73.02924	0.7
75.10978	0.5
79.05477	2.0
81.03400	1.7
81.07037	1.3
82.06535	0.7
85.02891	4.7
88.93328	0.6
91.05489	1.8
93.07024	2.3
94.06578	5.1
95.04933	1.3
95.07341	2.0
96.08124	5.6
97.02872	1.9
97.06476	0.8
106.06553	2.8
107.07349	1.9
108.08106	13.3
109.02859	1.0
110.09672	9.9
118.06558	0.8
120.04468	1.6
120.08097	9.1
122.06025	9.3
122.09653	3.5
123.04408	1.2
124.07588	4.9
124.66341	0.6
127.03903	1.0
132.08107	1.3
134.05977	3.0
134.09601	0.9
136.07565	24.5
137.05946	1.5
138.05484	1.2
138.09129	16.8
139.03882	1.7
144.04433	2.1
146.06001	6.3
146.09648	0.8
148.07562	15.3
150.09135	10.3
152.07056	19.4
160.03943	0.7
160.07635	1.3
162.05531	2.6
162.09222	0.7
164.07059	5.4
166.08626	33.4
167.07190	0.8
172.03918	19.1
174.05515	2.2
174.09189	1.2
176.07098	2.5
178.08600	0.8
179.09479	0.6
182.08122	1.1
190.04965	14.8
194.08180	1.2
197.10770	0.9
198.11552	2.0
199.12292	1.3
204.06538	30.0
209.10783	1.5
210.11540	2.8
211.12270	5.9
212.09375	1.4
212.13104	2.1
214.08710	0.6
218.08182	1.9
222.11412	0.7
223.12279	4.1
224.09412	1.0
224.13060	0.7
225.10277	5.6
225.13837	1.5
226.10988	4.2
227.11749	4.5
229.09676	1.5
229.13287	1.5
235.08693	1.2
235.12204	1.6
236.09467	1.3
236.13046	0.7
237.10152	7.8
237.13898	2.3
238.10986	4.6
239.11765	9.8
240.12564	1.1
241.09610	0.8
241.13350	2.4
243.11226	1.1
245.12915	0.7
246.07498	0.7
248.09468	1.0
249.10207	5.2
250.10976	5.1
251.08685	1.0
251.11754	14.7
252.08942	1.4
252.12611	3.3
253.09709	3.3
253.13350	5.6
254.10664	0.9
255.11229	5.2
256.12054	3.0
257.12793	1.9
259.14386	2.0
262.11124	1.9
263.07852	0.7
263.08740	0.7
263.11816	13.4
263.14450	1.3
264.08865	3.2
264.12576	2.1
265.09763	6.0
265.13382	7.3
266.10593	4.9
267.11255	16.5
268.11911	2.2
269.12860	5.1
270.10281	0.7
271.10825	2.4
271.14429	4.7
273.12335	2.6
275.11792	1.0
276.08771	0.7
277.09760	2.5
277.13113	0.9
278.10529	2.9
279.11246	26.2
280.12009	5.5
281.12842	9.9
282.10046	1.0
283.10812	4.1
283.14279	1.0
284.11502	11.8
284.14493	1.0
285.12308	35.3
286.12985	1.1
287.13919	2.1
289.15591	2.3
291.11255	11.2
292.11960	3.8
293.09235	2.5
293.12872	11.6
295.10855	3.2
295.14474	2.2
296.11508	4.7
297.12292	41.4
298.12866	2.8
299.13846	7.2
304.08682	0.6
305.09317	0.8
307.10828	2.1
309.12277	16.5
310.13062	3.2
311.10303	4.8
311.13971	3.7
312.10941	1.2
313.11829	2.5
315.05042	1.1
315.13519	0.7
319.10840	7.0
321.12302	10.2
322.12891	0.7
323.10242	11.4
323.13956	0.8
324.11044	1.6
325.11768	18.0
325.15350	1.3
326.12643	1.4
327.13358	12.5
328.14142	1.1
329.15103	1.1
330.16217	0.8
331.16946	0.7
332.17847	0.9
337.11795	43.9
338.12253	1.2
339.13379	6.2
340.14221	1.4
341.11356	1.8
341.15167	1.3
342.16165	0.9
343.12872	2.3
351.13608	0.9
355.13058	2.9
356.13745	1.4
357.14484	11.7
358.15256	1.5
358.19284	0.9
359.16199	1.7
369.14413	4.4
370.15283	1.1
371.11615	0.9
371.16104	1.9
373.13882	2.0
376.16196	0.9
376.20398	1.0
385.13922	2.5
390.18176	1.8
392.19724	1.1
398.18631	0.8
399.15649	1.6
400.16656	2.1
401.17017	1.1
402.18051	2.4
404.19620	3.8
412.16608	1.9
414.18216	1.3
416.19901	1.1
418.17087	2.8
420.19208	1.2
421.19781	1.5
422.20697	2.5
428.19855	1.3
430.17557	6.1
431.19113	0.8
432.19095	7.7
436.18808	1.9
442.17828	2.0
444.19159	2.3
446.20779	3.1
448.18582	18.3
449.19446	13.6
450.20178	12.0
460.18585	11.2
461.19547	1.2
462.20093	4.0
463.20828	1.0
464.22015	0.8
472.18716	2.0
474.20154	4.8
476.18167	5.0
477.18768	4.8
478.19891	4.5
480.21692	2.9
480.84998	0.7
487.17068	6.1
490.19702	24.5
491.20291	2.2
492.21408	8.1
506.22879	0.8
519.19312	1.0
522.22284	13.0
523.22992	2.6
567.25488	0.8
571.25861	0.7
585.27386	1.2
594.24194	1.9
595.25488	9.6
608.26135	1.2
611.25031	3.3
612.25439	3.9
613.26495	100.0
614.26477	3.6
634.23724	1.4
636.25562	1.9
645.29132	13.6
652.25006	18.4
653.25598	6.2
654.26343	3.7
684.27606	11.8
685.28290	2.5
757.30084	1.4
775.31689	30.5
776.31909	1.2
807.34607	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	808.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	18.5
57.07069	1.5
59.05000	1.5
61.02924	5.1
65.03927	3.1
65.37560	1.1
65.42904	0.8
65.96018	0.9
67.05496	48.1
68.05817	0.9
69.03420	9.3
69.06702	1.7
69.07059	22.9
71.04984	6.5
71.08607	0.9
71.61559	0.9
71.61948	1.4
72.78571	1.0
73.02895	1.6
77.03911	1.5
77.40886	1.0
79.05482	56.6
81.03407	88.6
81.07045	79.7
82.03746	1.1
82.07352	1.1
83.04974	21.4
83.08608	40.1
85.02893	33.0
85.06530	2.9
89.78638	1.0
91.03941	2.6
91.05470	64.9
92.05785	1.3
93.07030	47.3
95.01296	1.1
95.04955	46.1
95.08595	27.6
95.09216	1.1
97.02873	5.5
97.06518	7.5
97.10159	10.8
99.04426	1.2
99.08070	3.8
103.05513	1.2
105.04473	1.1
105.07015	48.4
107.04945	22.7
107.08581	21.0
109.06510	14.9
109.10134	11.5
111.04429	6.4
111.08071	18.1
113.05988	4.0
115.05444	3.4
117.01035	2.1
117.06995	15.8
119.04874	1.7
119.08566	46.8
120.08923	1.3
121.06482	9.1
121.10122	26.7
121.11004	1.3
123.08057	19.1
123.11695	2.3
125.09607	5.6
128.06213	3.1
129.01056	1.9
129.05527	1.2
129.06982	21.8
129.19191	1.0
130.07770	1.1
131.07573	1.6
131.08554	31.8
133.00523	1.4
133.06473	9.5
133.10117	23.3
133.11041	0.8
135.08038	8.2
135.11673	9.5
137.05960	1.6
137.09578	4.1
137.13200	1.1
141.06934	1.8
142.07753	6.5
143.08536	8.7
144.09221	1.0
145.00499	1.5
145.06482	2.4
145.10106	20.1
147.08029	14.1
147.11674	26.2
149.09592	20.8
149.13222	1.7
151.11183	1.8
153.09074	1.0
155.08493	3.0
157.10110	23.9
159.08060	3.5
159.11647	6.6
161.09590	11.5
161.13237	1.5
163.11154	13.3
165.09154	1.3
165.12799	4.6
167.08585	2.1
169.10085	2.3
171.07980	1.3
171.10295	1.4
171.11592	5.5
173.07318	1.2
173.09590	2.4
173.13213	2.7
175.11156	22.7
175.14795	1.4
176.11476	1.0
177.12790	1.1
181.10156	1.5
183.05775	1.5
184.07362	2.0
185.09682	2.2
185.13266	5.1
187.11150	1.8
189.11185	2.0
189.12755	2.2
191.10590	1.8
193.12219	59.3
194.12599	1.9
195.11639	1.9
197.07208	4.3
199.11179	3.1
205.12227	1.2
211.13266	84.1
212.13589	1.2
213.12718	1.4
213.16330	1.3
223.13307	2.4
227.12729	1.2
227.17935	3.6
237.16377	1.4
245.19040	2.8
249.14836	3.7
255.17450	3.9
257.61935	0.9
267.15884	42.6
268.16260	2.8
269.16940	0.9
273.18460	31.6
274.18756	0.9
275.20099	1.7
276.20520	1.2
285.16925	100.0
291.19501	38.1
294.39978	0.9
309.16086	7.5
327.17142	3.8
347.22177	10.5
365.23517	2.3
379.49213	0.9
383.19785	35.9
383.24759	1.8
401.20825	46.3
410.63113	1.0
433.26166	1.2
539.33832	8.6
542.35364	2.0
543.35638	1.5
557.34668	20.9
560.36530	2.5
561.36694	3.2
575.30334	26.2
593.32336	63.7
594.32300	2.5
611.33374	62.9
612.33093	1.7
808.40546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	12.0
57.07069	4.7
60.20275	4.3
67.05501	59.7
69.07062	18.0
71.62120	6.5
71.62788	4.8
79.05495	51.2
81.07050	68.8
83.08609	11.4
85.06534	6.0
91.05479	48.6
93.07036	70.4
95.04975	8.2
95.08588	51.8
97.10153	4.4
103.61690	5.1
105.07017	44.9
107.08578	27.3
109.10146	31.2
117.07009	18.5
119.08572	41.5
119.28611	4.3
121.10143	35.0
123.11672	7.2
129.06996	8.3
131.08553	30.6
133.10147	38.7
135.11737	22.3
143.08571	10.9
145.10110	24.4
147.11667	29.4
149.13275	15.8
151.60719	4.6
157.10127	11.7
159.11722	21.6
161.13235	26.5
163.14771	5.3
171.11708	8.2
173.13306	16.8
175.14891	8.1
182.94237	4.2
185.13269	10.8
187.14911	6.4
214.63443	3.8
241.19487	26.2
257.19009	4.9
257.53970	4.7
259.20532	64.8
261.22095	10.4
315.23065	7.1
333.24164	60.5
335.25754	100.0
519.41974	8.3
547.21802	5.3
593.45422	14.4
611.46649	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06624	0.4
59.07383	0.1
60.08156	6.0
60.50700	0.1
62.85542	0.1
66.87754	0.1
67.05486	0.2
68.07253	0.1
69.07056	0.1
70.06586	0.1
70.72927	0.4
71.06966	0.2
71.07360	3.3
78.61292	0.1
79.05478	0.1
81.07055	0.2
81.94829	0.1
86.09694	29.4
87.10021	0.2
89.05983	0.1
91.05464	0.4
93.07058	0.2
95.08586	0.2
98.21431	0.1
98.98454	3.0
104.10733	2.3
105.07014	0.2
119.08556	0.2
124.99988	19.2
131.08531	0.1
133.10132	0.1
139.03868	0.2
143.01009	0.5
166.02634	0.4
181.74632	0.1
184.07317	100.0
185.07646	0.6
516.30731	0.2
774.50610	6.8
775.50116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15569	0.2
58.06600	0.4
58.43299	0.2
59.07357	0.2
60.08152	5.9
66.02410	0.2
67.05494	0.3
69.64954	1.5
71.07361	3.4
79.05469	0.2
81.07016	0.3
86.09690	32.4
87.10004	0.3
98.20731	0.4
98.21316	0.6
98.98439	2.9
104.10715	3.5
105.01045	0.2
124.99983	20.2
128.40620	0.2
134.58476	0.2
143.00984	0.4
163.04234	0.2
164.77612	0.2
166.02585	0.3
176.50069	0.2
184.07309	100.0
185.07600	1.0
372.43655	0.2
536.15533	0.2
605.71356	0.3
712.44806	0.6
792.51294	0.4
810.52722	3.4
811.52325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.4
57.03431	2.9
59.04989	0.9
60.89399	0.3
61.02921	4.9
67.05497	7.9
67.75040	0.3
69.03416	4.0
69.07066	3.3
71.01353	0.7
71.04993	2.1
73.02909	4.0
79.05483	8.7
81.03409	7.3
81.07045	8.5
81.50603	0.4
83.04978	1.8
83.08612	2.4
85.02892	6.5
85.06506	0.5
87.04454	0.7
91.03939	3.3
91.05469	9.1
93.07038	8.5
95.04971	3.8
95.08595	4.1
97.02888	5.5
97.06522	2.0
97.10177	0.6
99.04459	1.4
99.08121	0.4
101.02373	2.5
103.03959	0.7
105.07021	6.0
107.04932	2.0
107.08592	3.8
109.02864	2.1
109.06508	1.5
109.10157	1.3
111.08067	1.0
115.03923	0.6
115.05508	0.6
117.07009	1.8
119.08570	4.0
121.06506	0.8
121.10121	3.1
123.08070	1.3
123.11723	0.6
125.09683	0.4
127.03879	2.1
128.06241	0.9
129.05437	0.6
129.06975	2.3
131.08525	2.7
133.06476	0.5
133.10138	3.6
135.11729	1.2
137.06020	0.6
143.08565	1.4
145.05034	0.5
145.06462	0.6
145.10138	1.7
147.08018	0.5
147.11667	3.7
149.09621	2.5
155.08577	0.4
157.10080	1.8
159.08128	0.6
159.11713	1.2
161.13286	1.0
163.11209	0.4
171.11661	2.2
173.04497	0.8
175.11203	0.8
184.07350	0.9
185.04236	0.8
189.12732	0.8
193.12291	2.0
207.13763	2.0
211.90666	0.4
225.14893	0.8
229.74547	0.5
235.77397	0.4
241.15923	0.8
243.08377	4.6
267.15942	0.7
269.15311	0.8
275.20175	0.5
281.17416	4.3
283.06271	0.4
283.15115	4.3
287.16489	0.8
301.09119	0.4
303.19296	0.5
333.16702	0.6
333.20346	2.8
339.17801	1.0
389.23007	0.5
425.22073	0.5
434.18820	1.4
439.19495	1.4
453.21216	1.2
469.20596	1.5
483.22064	0.5
487.30530	5.4
501.23001	13.2
539.33698	0.5
551.28156	8.8
552.28491	0.6
567.33325	0.8
631.35156	0.6
721.38477	0.9
811.44373	100.0
812.44629	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	812.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06629	0.4
59.07381	0.2
60.08156	6.0
67.05492	0.2
69.07079	0.2
69.49021	0.2
69.49427	1.0
70.06613	0.2
71.07360	3.2
79.05483	0.3
81.07030	0.4
82.51331	0.1
85.54034	0.1
86.09694	30.5
87.10013	0.2
91.05473	0.2
93.07020	0.4
95.08599	0.2
98.20788	0.3
98.21442	0.2
98.98450	2.6
104.10728	2.1
105.07008	0.2
110.86135	0.1
124.99989	19.0
138.27298	0.1
143.01015	0.5
159.11600	0.2
163.58217	0.1
166.02641	0.3
184.07317	100.0
185.07680	0.4
196.59612	0.1
213.94173	0.1
222.66855	0.1
261.81921	0.1
365.71066	0.1
380.82068	0.1
394.93497	0.1
500.43085	0.1
640.35040	0.1
776.52136	8.4
777.51031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
61.02922	0.4
65.03941	0.4
66.74666	0.3
67.05498	1.1
68.99796	0.6
69.03423	5.4
69.07050	0.5
69.76692	1.5
71.04984	26.0
72.08175	0.3
73.02914	0.4
73.22687	0.2
73.23122	0.2
79.05486	2.5
81.02957	0.5
81.03413	7.5
81.07056	1.8
83.01360	0.3
83.04968	0.6
83.08606	0.4
85.02895	14.1
87.04475	0.5
91.05464	6.2
93.07041	3.7
95.04949	1.6
95.08599	3.3
97.02875	1.7
99.04442	43.8
103.05463	1.2
105.07017	57.9
106.07362	0.9
107.04954	0.8
107.08582	2.6
109.02872	3.5
109.06506	1.4
109.10143	0.5
111.00800	0.8
111.04411	1.4
115.05433	0.6
117.05514	0.9
117.07008	1.0
119.04935	1.1
119.08562	3.2
121.02084	0.4
121.02833	1.7
121.06499	4.8
121.10125	0.4
123.04467	0.3
123.08056	6.2
123.11659	1.7
127.03902	3.1
128.06198	1.2
129.05461	2.3
129.07004	0.4
130.07809	0.5
131.08502	1.7
133.06480	7.8
133.10112	41.6
134.10469	0.7
135.11690	0.9
135.22411	0.3
137.02324	9.8
137.03329	0.4
137.05975	0.7
139.03902	1.2
141.06987	0.4
143.08546	3.6
145.04997	0.4
145.06444	0.6
145.10103	3.4
146.07260	3.7
147.04387	0.4
147.08037	0.7
149.02390	1.2
151.07541	3.9
151.11160	2.2
153.01801	2.9
159.08051	1.1
161.09598	94.3
162.09952	2.5
163.03889	1.6
163.11163	19.0
164.11528	0.7
165.01834	1.9
167.07060	0.6
171.02866	0.8
171.08017	0.4
173.06042	0.3
174.06729	0.5
177.01886	0.3
177.05452	0.3
179.10652	45.7
180.10992	1.1
183.02925	0.7
185.06000	0.3
187.03893	0.4
189.05345	0.7
189.09085	14.2
191.03539	0.3
195.02812	0.4
195.06407	0.3
201.05444	1.2
201.91481	0.3
202.05881	0.3
205.04962	0.3
207.10138	33.3
208.10463	0.7
213.05469	0.3
217.05171	0.3
219.06520	0.5
225.09254	0.3
225.11122	1.4
229.04951	2.9
233.07945	0.4
247.06003	0.8
247.09218	0.5
257.04410	2.5
257.06882	0.3
260.33847	0.2
261.03799	0.4
271.13104	0.2
274.04666	0.6
285.04013	0.9
287.05469	12.3
288.05872	0.5
299.05490	0.6
302.04230	0.5
303.04959	100.0
304.05319	3.4
305.13800	0.5
309.13147	0.3
315.04950	3.3
316.05511	0.4
323.14896	0.5
327.05017	1.0
329.06464	0.4
333.13321	1.1
333.91272	0.3
335.15228	0.3
339.15121	0.3
341.06555	0.5
345.06024	5.8
346.07227	0.3
351.14337	10.4
352.14774	0.5
353.06506	0.5
353.15942	0.4
367.08032	0.3
369.05844	1.5
369.15430	18.1
370.15707	0.8
379.13611	0.4
395.07574	1.1
413.08466	2.0
427.17191	0.4
431.09793	1.3
443.16495	0.4
449.10776	4.3
465.10385	0.3
671.19702	1.6
817.32269	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.5
57.07080	1.0
67.05498	18.4
69.03421	1.4
69.07061	19.7
71.05019	0.8
79.05484	17.0
81.03408	5.5
81.07049	27.8
81.62010	0.8
83.04960	3.1
83.08611	3.2
85.06489	0.9
86.09689	3.0
91.05473	25.9
93.07034	19.9
95.01320	6.3
95.04963	5.8
95.08032	1.4
95.08595	15.7
95.09153	1.4
97.06524	35.3
97.10146	1.4
98.20740	1.3
102.25450	0.8
103.05436	1.3
103.16356	0.7
105.07021	44.4
107.04939	10.1
107.08597	7.5
109.06512	2.5
109.10152	5.6
111.08092	1.3
113.09627	1.0
115.05451	1.1
117.07005	8.2
119.08568	20.0
121.06462	2.0
121.10133	4.6
123.04462	1.2
123.08051	2.4
123.11689	1.2
125.09625	1.7
129.06990	1.8
131.08551	11.6
133.06493	1.2
133.10117	26.4
135.08064	2.4
135.11682	5.0
137.09604	1.7
139.07518	2.3
141.06891	2.0
143.08563	1.5
145.06499	1.4
145.10091	10.4
147.11684	10.5
149.09624	5.6
149.13185	1.9
151.11208	1.9
157.10118	2.6
159.11684	8.1
161.13246	3.4
163.11163	4.2
169.10078	1.4
171.11684	1.7
173.13223	3.4
177.12733	2.4
179.14270	10.8
183.11664	1.7
184.07263	7.4
187.11140	2.6
187.69713	0.9
197.13237	0.9
205.12236	1.0
229.26814	0.8
239.17899	1.2
247.20520	1.0
257.18970	2.5
267.21884	0.9
275.20035	57.9
283.09573	0.8
293.21097	2.4
299.08441	0.8
349.23709	40.3
350.23688	1.1
490.12714	0.9
623.42993	100.0
624.42969	3.5
641.43658	3.6
738.75653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	19.7
57.07068	1.7
59.05003	0.8
61.02920	70.6
65.03928	2.0
67.05498	28.9
68.62809	0.9
69.03423	27.1
69.07059	7.4
69.31333	3.2
69.31762	4.7
69.64274	0.7
70.06558	0.8
71.01339	2.9
71.04977	4.8
73.02910	24.6
75.04472	1.4
79.05481	21.2
81.03410	24.2
81.06561	1.6
81.07048	32.3
83.01307	1.0
83.04967	5.1
83.08613	4.3
85.02896	100.0
87.04443	3.5
91.03946	60.3
91.05463	14.1
93.07032	22.8
95.04968	7.8
95.08598	24.4
97.02882	74.5
97.06516	2.6
97.10166	2.3
99.04442	13.7
99.08019	0.8
101.02375	5.4
103.03934	11.3
105.07018	11.7
107.04954	2.0
107.08581	14.3
109.02861	12.7
109.06517	2.5
109.10145	12.0
111.04445	3.3
111.08048	0.9
111.79091	0.8
113.06008	1.2
115.03922	8.4
115.05383	0.8
117.05498	2.7
117.06991	5.3
119.08553	9.7
121.06480	1.5
121.10130	11.1
123.08071	1.3
123.11675	6.7
125.09592	1.3
127.03902	40.2
129.05464	4.8
129.07019	1.9
131.08569	8.7
133.10112	7.4
135.08069	2.1
135.11676	7.8
137.05951	1.6
139.03908	1.1
141.05380	0.9
141.06979	1.0
143.08527	1.8
145.04948	32.7
145.10095	7.9
147.08052	1.2
147.11642	5.6
149.09654	1.5
149.13281	6.1
151.11189	1.3
155.08621	1.3
157.10118	2.8
159.06560	3.1
159.07976	1.1
159.11655	6.4
161.13264	5.5
163.06004	22.8
163.11200	1.4
163.14839	3.6
165.12779	1.2
169.10075	1.4
171.06541	3.0
171.07925	0.9
171.11699	1.6
173.13228	5.5
175.14828	2.2
177.16414	1.3
179.14330	1.0
181.10236	0.7
183.06517	9.2
183.08015	1.2
183.11674	1.1
185.13266	1.5
187.14754	3.6
189.08994	0.8
193.04944	1.1
197.13287	1.7
199.14859	1.6
201.07570	6.2
201.16368	1.1
205.15880	0.8
207.11752	0.7
209.13295	0.9
215.14374	0.9
219.08585	1.7
241.19662	0.9
243.21065	5.9
250.44395	0.8
255.21210	0.8
259.20612	2.7
261.22116	17.3
267.21185	0.9
271.20633	0.7
273.22150	0.8
275.19952	1.0
277.21600	1.2
279.22949	0.8
285.22205	2.4
287.23874	0.8
293.21207	0.9
301.21805	1.0
303.23169	3.7
309.22296	1.0
315.23120	1.9
317.24713	0.9
327.23352	2.2
333.24368	0.8
335.25769	53.3
341.24786	1.4
345.24316	2.0
349.23914	1.1
351.23163	2.4
353.26764	2.0
363.25266	4.3
369.24118	5.5
377.26840	5.3
387.25287	3.1
389.26846	1.5
405.26443	2.4
419.27844	1.9
423.27219	1.0
425.26770	1.3
431.27655	1.1
443.27875	6.7
461.29102	6.4
479.30008	12.9
497.31155	4.4
546.90417	0.9
796.80176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	13.1
57.07051	1.2
59.04990	1.1
61.02909	2.0
65.03928	2.4
67.05495	40.7
69.03413	6.0
69.07059	17.9
71.01345	0.9
71.04980	6.3
71.62536	1.1
73.02912	1.4
77.03894	0.8
79.05482	37.5
81.03407	68.3
81.07046	62.4
82.07363	0.7
83.04969	13.8
83.08607	24.5
85.02889	5.5
85.06528	2.4
86.09695	0.8
88.71181	0.8
91.05469	33.1
93.07034	32.4
94.07351	0.9
95.04348	1.6
95.04953	29.2
95.08592	16.7
97.02853	4.1
97.06520	10.9
97.10153	20.2
99.04426	1.7
99.08070	3.1
103.05448	0.8
105.07016	25.3
107.04941	12.9
107.08578	18.8
107.41869	0.7
109.02909	1.3
109.06504	11.3
109.10145	11.1
111.04430	9.6
111.08060	8.8
112.78838	1.0
113.05997	0.9
115.05449	2.0
115.07557	2.7
117.06998	12.4
119.04881	1.4
119.08564	25.2
121.06495	9.4
121.10132	13.1
123.04412	1.2
123.08050	16.7
123.11677	1.8
125.06001	1.1
125.09608	16.7
127.03912	1.3
128.06210	1.4
129.05457	0.9
129.06987	12.3
131.04955	1.1
131.08557	17.1
133.06453	6.1
133.10118	11.1
135.08031	7.7
135.11676	8.1
137.09586	4.3
139.03871	0.9
139.11214	2.2
141.06995	2.1
142.07771	2.1
143.08540	5.3
143.10596	1.1
145.06494	3.1
145.10091	13.6
147.08026	10.7
147.11664	10.4
149.09598	9.3
149.13269	1.9
151.07661	1.0
151.11192	2.1
153.09081	4.3
153.12732	4.1
155.08559	2.7
157.06488	1.1
157.10100	11.9
159.08076	3.3
159.11647	4.5
161.09602	7.7
161.13243	0.9
163.11150	13.5
165.09155	2.3
165.12753	2.3
167.08498	0.9
169.10136	1.9
171.07988	1.2
171.11653	3.6
173.09615	4.2
173.13148	1.0
175.11162	10.9
177.12767	1.9
181.10112	0.9
181.10820	0.9
181.12250	5.9
183.11635	1.8
184.07321	1.6
185.09679	1.2
185.13261	2.3
187.11179	2.4
189.11215	9.4
189.12744	1.2
191.10684	3.2
193.10330	1.3
193.12212	21.3
194.12729	0.7
195.11781	1.3
195.13631	0.8
197.09804	0.7
197.13245	0.7
199.11221	1.5
199.14839	1.7
201.12785	1.6
205.12329	2.2
207.13806	1.6
209.13354	0.9
211.13116	1.3
213.12834	1.7
217.15953	0.9
219.13791	4.3
223.11319	0.7
223.13121	3.5
225.12735	0.8
227.12708	10.7
227.17920	1.3
229.14421	2.2
231.13832	1.0
245.18964	2.1
249.14862	2.5
255.17683	1.5
267.15875	81.4
268.16296	2.1
269.17322	3.9
271.16983	1.0
273.18457	19.9
275.19946	1.2
283.15463	2.9
291.19501	34.7
291.22803	1.8
292.19711	1.1
309.17279	1.3
309.20517	7.7
311.20221	1.0
313.21732	2.4
315.19519	1.1
329.21152	2.9
347.22116	7.3
351.91574	0.8
365.23172	20.7
365.27148	0.7
366.23520	1.0
369.24182	1.3
383.24271	17.3
403.24600	2.0
433.25952	1.6
443.27713	1.0
445.29987	1.3
447.27969	5.5
459.27487	1.6
461.28885	4.3
463.30621	8.3
465.29977	6.3
483.30948	5.9
493.27383	1.0
501.32535	1.9
521.32410	2.1
529.35211	1.2
539.33575	19.0
540.34204	2.0
557.34662	100.0
558.35071	7.6
575.35712	69.1
576.36108	5.3
589.36755	2.4
599.35333	2.0
607.35242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	8.4
57.07042	1.4
59.04945	0.8
61.02894	1.1
61.47818	0.8
65.03897	2.7
66.92257	0.5
67.05495	54.5
67.05837	2.0
69.03417	9.2
69.07056	32.6
69.07411	1.3
69.30127	3.1
69.30557	4.4
69.86752	0.6
71.04935	2.9
73.69724	0.6
75.63057	0.6
79.05480	37.5
81.03391	5.1
81.07043	49.2
83.04944	4.3
83.08601	11.5
85.02872	1.1
85.06499	1.8
86.09648	2.6
91.05466	26.2
93.07027	41.9
95.01305	1.1
95.04955	10.0
95.08590	34.4
97.02873	10.1
97.06519	5.0
97.10148	11.8
99.08001	0.7
105.04469	1.0
105.07013	19.1
107.04928	6.1
107.08582	24.5
109.06474	2.8
109.09460	1.0
109.10141	15.7
111.04345	0.9
111.08022	2.0
113.09566	0.8
116.06215	0.8
117.07001	6.9
119.04862	1.2
119.07803	1.2
119.08565	15.7
121.06466	3.0
121.10114	16.0
121.48687	0.7
123.08066	3.3
123.11677	3.4
124.99911	1.9
125.08742	0.7
125.09609	8.6
128.06165	0.9
129.07021	3.3
129.07768	0.8
131.08548	14.4
133.06406	1.9
133.10104	8.8
135.08054	3.1
135.11681	10.6
137.09544	2.3
137.13162	0.8
141.06895	0.7
142.07742	0.8
143.08496	2.3
145.06421	0.9
145.10104	8.0
147.08040	4.7
147.11661	5.0
149.09560	2.2
149.13220	5.3
151.11140	1.1
153.09123	1.0
153.12695	0.6
157.10124	3.6
159.11662	4.2
161.09543	2.5
161.13200	2.7
162.10309	1.0
163.11095	1.5
163.14783	1.4
165.09058	0.8
169.10097	1.1
169.12219	0.9
171.11652	1.6
173.09572	0.8
173.11801	0.8
173.13258	3.2
175.11093	1.7
175.14799	1.1
177.12666	1.9
177.16328	0.9
183.11687	0.9
184.07303	6.7
185.13293	0.7
187.14743	1.7
189.11212	4.0
193.12103	0.7
195.13666	1.3
201.16283	1.0
205.12201	1.6
223.13263	19.4
227.12741	3.8
231.17528	0.7
243.21027	3.0
245.19040	0.9
249.14876	3.4
253.14279	1.2
261.22134	8.3
263.19812	0.8
273.18454	12.7
287.35593	0.7
288.54694	0.8
291.19495	99.1
292.19781	1.3
306.65140	0.7
309.20709	0.8
317.24683	2.7
335.25742	98.1
336.26089	1.3
341.04404	0.7
347.22238	2.0
365.23175	50.3
392.52206	0.7
505.34995	1.2
513.35889	0.9
527.37109	1.8
545.38361	4.1
557.38776	1.1
607.43311	2.5
625.44550	100.0
626.44556	3.2
654.05048	0.7
722.15894	0.7
787.48895	0.7
833.08759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.1
57.07055	2.9
65.03944	1.6
67.05495	37.0
69.03416	1.9
69.06715	1.8
69.07060	24.5
71.04971	2.5
74.58610	1.0
79.05481	34.2
81.03401	5.7
81.07043	48.8
83.04961	5.0
83.08604	7.9
85.06522	2.4
91.05468	59.0
93.07028	43.6
93.07618	2.3
95.01324	6.8
95.04958	9.5
95.08596	27.7
97.06520	15.7
97.10133	2.6
103.05440	1.4
105.07014	74.2
107.04945	13.5
107.08578	23.6
109.06493	3.6
109.10136	8.2
111.08064	3.2
115.05398	1.7
117.07003	15.2
119.08568	43.7
121.06507	3.0
121.10114	13.4
123.04422	2.1
123.08040	3.8
123.11700	3.0
125.09612	1.7
128.06136	1.7
129.06978	6.5
130.07843	2.1
131.08554	24.8
133.10110	49.3
135.08037	3.0
135.11650	9.5
137.25714	1.3
141.06926	1.6
143.08528	6.9
145.06392	1.5
145.10106	18.4
147.11665	25.1
149.09601	4.8
149.13239	4.6
151.11176	1.5
155.08463	1.4
157.10158	5.6
159.11681	14.5
161.13245	14.3
163.11163	2.3
165.09073	1.8
169.10071	2.0
171.11676	8.8
173.13249	7.4
175.14806	5.1
177.12756	2.9
178.25204	1.3
179.14294	8.5
184.07289	1.6
185.13158	3.8
187.11169	3.6
187.14763	2.8
189.12778	1.7
194.16312	1.4
197.13281	2.7
199.14803	1.9
201.12601	1.3
207.08226	1.4
239.17969	2.4
241.19460	15.5
252.41075	1.3
257.18979	6.5
259.20523	26.3
269.73920	1.3
275.20035	50.5
277.21729	1.3
279.16095	1.7
293.21021	3.3
315.23141	10.4
333.24188	50.6
349.23685	43.1
406.90143	1.4
437.34021	1.6
533.39465	2.6
599.10693	1.4
607.43481	100.0
608.44348	2.3
625.44489	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	823.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.7
67.04228	0.3
67.05492	1.0
69.03429	1.7
71.04985	0.8
71.63389	0.5
73.02887	0.3
77.03959	0.4
77.29083	0.3
79.05476	2.0
80.05006	0.7
81.03408	2.5
81.07037	0.7
85.02902	2.0
91.05444	1.5
93.05778	1.2
93.07050	1.8
94.06549	6.3
94.07095	0.5
95.04958	1.2
95.07354	1.4
95.79214	0.4
96.08106	4.5
97.02885	1.0
97.06514	0.5
99.04379	0.3
103.05457	1.1
105.05772	0.3
105.07038	0.6
106.06531	1.9
107.07311	1.7
108.04469	1.3
108.08104	16.0
109.02860	1.0
109.06484	0.4
110.06130	0.3
110.09669	6.5
111.04475	0.5
115.05491	0.4
116.04933	0.4
117.07015	0.4
118.06502	0.8
119.07333	0.3
120.04463	2.0
120.08090	10.8
121.06469	0.4
121.08908	0.3
122.06013	11.7
122.09643	5.8
122.10472	0.5
123.04400	0.7
124.07577	2.9
126.16750	0.3
127.03899	1.2
131.07292	0.4
132.08099	1.6
134.05981	2.5
134.09613	1.6
136.07552	16.6
137.05986	0.9
137.07910	0.3
138.05502	1.1
138.09117	11.8
139.03864	1.0
140.07054	0.4
144.04454	0.9
144.08055	0.6
146.05984	9.2
146.09676	0.8
147.04358	0.4
148.06354	0.7
148.07547	13.3
149.07967	0.5
150.05530	0.7
150.09120	6.1
152.07040	10.6
156.08064	0.5
158.06046	0.5
158.09695	0.4
160.03963	1.0
160.07559	4.2
162.05518	1.3
162.09138	1.3
164.07050	4.7
165.05524	0.4
166.08611	11.6
167.07082	0.4
167.53166	0.3
172.03914	7.9
172.07545	0.8
174.05508	2.1
174.09152	0.9
176.07089	1.3
177.05403	0.6
178.08630	0.8
180.06628	0.3
180.10155	0.5
181.04994	0.9
184.07666	0.6
184.09897	0.8
186.09212	0.6
188.07118	0.4
188.10757	0.5
190.04965	5.2
190.06531	0.5
190.08630	0.5
192.06648	0.7
192.10095	0.4
192.70876	0.3
194.08121	1.3
194.09723	0.4
196.09821	0.6
197.10722	1.5
198.09746	0.5
198.11435	2.1
199.08708	0.5
199.12265	1.4
200.06970	0.6
201.10246	0.4
202.08638	0.8
204.06522	10.2
206.08177	0.5
207.08995	0.3
208.09724	0.6
209.10745	1.3
210.11568	1.2
211.08725	0.9
211.12210	4.8
211.14008	0.3
212.09378	0.7
212.13051	0.9
213.10211	0.8
213.13869	0.8
214.08597	0.3
218.08151	0.6
221.10695	0.8
222.07736	0.7
222.11307	0.6
223.08731	0.5
223.12239	2.9
224.09412	1.0
224.13063	0.8
225.10197	3.8
225.13724	2.5
226.10899	1.6
227.11768	5.1
228.10071	0.4
232.09579	0.5
233.10664	0.5
234.11313	0.4
235.08687	1.2
235.12245	1.6
236.09146	1.7
237.10182	5.9
237.13866	1.3
238.10934	3.7
239.11743	13.7
240.12535	3.5
241.09679	0.7
241.13261	2.2
243.11290	0.8
245.12961	0.6
247.12411	0.3
248.09480	1.3
249.10190	6.7
250.10867	3.9
251.11748	19.6
252.08784	0.3
252.09802	0.5
252.12471	5.4
253.09700	2.1
253.13312	8.3
254.10492	0.4
254.14052	1.0
255.11249	4.6
255.14789	0.5
256.11694	0.4
257.12866	1.0
259.14401	0.6
261.10162	0.6
262.11090	0.9
263.11752	15.8
264.09100	2.0
264.12433	3.8
265.09805	4.3
265.13376	9.7
266.10529	3.3
266.14105	4.0
267.11243	9.3
267.14801	1.1
268.11978	0.9
269.12827	3.2
271.10883	1.6
271.14444	1.1
273.12363	0.9
274.10846	0.4
275.08835	0.3
275.11810	1.2
276.09067	0.4
276.12415	0.5
277.09726	3.1
277.13358	1.7
278.10410	3.8
279.11243	20.4
280.11990	3.6
281.09659	0.5
281.12769	9.8
281.15759	0.6
282.10297	0.3
282.13461	0.9
283.10815	1.3
283.14401	1.1
284.11703	0.8
285.12326	4.1
287.14053	0.5
289.06686	0.4
289.09680	0.4
290.10196	0.4
291.07996	0.7
291.11234	11.3
292.11990	3.7
293.09235	0.8
293.12759	9.3
294.10138	0.7
294.13376	1.0
295.10825	3.5
295.14453	1.8
296.11395	1.5
297.12292	13.1
297.15692	0.7
298.12930	1.1
299.13885	6.6
301.15771	0.5
302.16583	0.4
305.09164	1.0
305.12805	0.8
307.10751	2.6
307.14343	0.9
308.11456	0.5
309.12320	5.0
310.12888	2.5
311.10452	0.8
311.13840	23.1
312.10803	0.7
312.14432	1.5
313.11975	0.7
313.15570	1.8
315.13766	0.5
316.14511	0.7
317.09216	0.4
318.09750	0.7
319.10757	8.4
319.14438	0.6
320.11398	0.5
321.12244	3.3
321.15631	0.4
323.10251	3.3
323.13959	1.3
324.10873	0.4
324.14789	0.5
325.11877	2.9
325.15314	0.7
326.12515	1.1
327.13406	1.5
328.14383	0.9
329.15198	0.8
330.15952	1.0
331.16824	0.4
333.12405	1.3
335.13898	0.4
336.10931	0.4
337.11761	3.9
337.15558	0.4
338.12506	0.7
339.13443	4.0
340.14087	1.3
341.11484	1.3
341.15128	1.2
342.12405	0.6
342.16129	0.8
343.13217	0.8
343.16788	0.4
344.14172	0.4
344.17450	1.4
346.19208	0.8
349.11679	0.7
351.13419	1.7
353.14975	2.4
354.11908	0.6
354.15894	0.6
355.12790	4.7
355.16632	0.7
356.13855	1.7
356.17450	0.6
357.14612	1.8
358.15494	1.4
358.19315	0.7
361.15659	0.4
363.13541	0.5
365.15002	0.6
367.12842	0.7
368.13455	0.5
368.17599	0.4
369.14581	1.9
370.15500	1.6
370.19516	0.6
371.16074	0.9
372.17041	1.2
373.13809	0.7
374.14597	0.4
377.15027	0.4
379.12729	2.5
380.13593	0.5
381.14438	1.9
383.16089	1.6
384.17105	1.1
385.17789	0.7
386.14389	0.5
386.18820	1.5
388.20633	0.4
393.14282	1.1
394.15085	0.6
395.16022	0.7
397.13953	0.9
398.14340	1.4
399.15567	1.4
400.15997	1.5
401.17288	0.4
402.18054	0.8
404.19821	1.1
405.14368	0.6
407.16113	1.1
411.15414	3.9
412.16397	1.1
413.17047	1.1
414.18466	0.5
415.14053	0.7
415.19180	0.6
416.19949	0.6
417.14941	1.0
418.21396	2.7
421.14035	0.5
423.15558	1.0
425.16879	0.9
425.90875	0.4
427.15024	0.7
428.19974	0.7
429.16568	2.2
430.17352	2.5
431.18335	1.4
432.19260	0.6
435.15582	3.0
437.17227	0.6
439.14944	3.0
441.16534	3.5
442.17523	0.6
443.18057	1.7
444.19110	0.9
445.14017	0.7
446.21075	3.5
451.15088	0.9
453.16510	5.1
455.18314	1.0
459.17392	3.0
460.18362	0.4
461.19699	0.5
462.20313	0.4
463.15045	2.5
464.22241	0.6
467.14453	0.8
469.15820	2.7
471.17508	9.8
472.18268	1.7
473.19385	1.5
481.15973	11.5
481.22531	0.6
482.16537	0.9
483.17615	0.6
485.15604	0.4
486.20798	0.4
490.19363	0.4
499.16779	1.6
501.18677	0.5
506.23013	0.4
516.21405	0.4
518.23053	0.8
532.21039	0.5
534.22522	0.6
546.22015	1.4
548.23334	0.5
554.20667	0.4
560.23260	0.4
564.23602	0.5
566.24957	2.4
570.22083	0.5
578.25262	3.1
588.23413	1.2
590.24622	1.9
591.21771	1.5
592.22784	0.9
593.23987	1.5
594.24225	2.2
598.21796	0.7
602.21283	0.6
606.24323	22.1
607.25128	1.3
608.25928	37.7
609.26099	2.4
610.27704	0.6
616.22614	1.6
618.24219	0.7
620.22577	2.2
621.22504	0.7
622.23444	0.7
629.25293	0.7
630.24701	0.4
634.23853	32.9
635.24255	2.4
636.25012	1.1
638.26312	0.6
648.24915	0.4
652.24860	10.1
653.25391	0.7
654.26233	0.5
666.26459	100.0
667.26855	8.0
713.27606	0.5
729.30847	0.7
731.29059	1.4
737.27515	0.7
747.32123	1.0
755.29028	14.4
756.29089	1.1
773.30084	6.6
774.29529	0.7
787.31439	3.4
791.31201	17.4
792.31360	1.3
805.32172	1.0
823.33832	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	824.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	0.5
61.02927	0.3
65.03925	2.8
66.04713	0.2
67.05492	1.1
68.01823	0.2
69.03417	1.2
70.06580	0.8
71.04986	0.5
71.63274	0.4
75.04469	1.8
78.04694	1.4
79.05474	2.5
79.05834	0.2
81.03416	1.4
81.07042	0.6
82.04198	0.6
83.04984	0.3
85.02892	4.0
89.03922	0.3
89.06004	0.5
91.05465	5.3
91.05998	0.4
93.03389	5.1
93.07029	2.6
95.04957	3.8
97.02895	1.3
97.06530	1.4
99.35086	0.3
103.05447	9.3
104.05852	0.3
105.03415	1.0
105.04440	0.4
105.07010	3.7
106.04159	10.7
107.04938	4.7
107.08589	0.5
108.02027	0.3
109.02866	0.4
109.06516	0.9
110.03648	0.9
111.04413	1.6
114.85706	0.2
115.05430	2.8
117.03341	0.5
117.06991	1.8
118.04128	1.8
119.04905	1.0
119.08553	0.5
120.05717	0.3
121.06489	12.4
122.03628	0.3
123.04403	2.4
123.08070	0.5
124.05204	1.4
125.05974	5.7
127.03902	0.8
129.06999	1.0
130.04137	0.5
131.04906	10.0
131.08545	0.4
132.05731	0.8
133.02843	0.7
133.06476	4.0
134.03596	2.0
135.04378	1.4
135.08043	1.1
137.02361	0.4
137.05945	2.9
138.03148	0.4
138.06682	0.5
139.03867	1.0
139.07524	1.4
141.06921	0.3
142.02602	0.4
143.04868	0.9
144.05573	0.5
145.02829	1.0
145.05020	0.5
145.06461	2.9
146.03635	0.8
146.07297	0.4
147.04385	1.0
147.08026	1.2
148.05179	6.1
149.05963	22.8
150.06364	0.4
151.03943	1.4
151.07529	1.6
152.04654	0.5
153.05447	2.5
153.09064	6.0
155.05972	0.4
155.07060	0.5
157.06468	0.8
158.07198	0.3
159.04375	0.5
159.08054	0.9
160.05164	0.6
161.05963	5.4
162.07677	0.5
163.03830	1.8
163.07513	11.5
164.04665	0.3
165.05516	1.0
165.09109	0.3
166.06252	0.9
167.07014	30.0
168.07324	0.6
171.06520	1.8
173.05960	3.5
173.07330	0.4
174.06735	0.4
175.07549	1.9
176.04659	0.9
177.05441	14.6
177.09027	0.5
178.06111	0.4
178.07936	0.3
179.06975	1.0
179.08507	0.3
180.08815	0.3
181.04932	38.2
181.08530	12.1
182.05322	0.6
185.05984	0.4
187.07516	1.7
189.05486	0.7
189.09062	0.4
190.06172	0.9
191.07001	45.9
192.07471	0.9
193.04961	0.9
193.08569	3.0
195.06496	3.0
201.05434	1.3
202.06137	0.4
203.06999	1.7
205.08534	2.5
207.06406	0.7
207.08240	0.5
207.10031	1.4
209.08055	100.0
210.08427	2.0
217.08543	1.5
219.08221	0.5
219.10054	2.2
220.07281	0.3
221.08049	0.5
223.09662	0.4
225.07544	0.8
229.08560	0.4
231.06459	0.6
232.07216	0.4
233.08034	3.3
235.07510	0.7
235.09612	3.1
236.08273	0.3
237.09189	0.4
245.08086	1.2
251.09041	0.4
252.07895	0.6
263.09119	13.6
264.09598	0.4
265.08514	0.6
267.09970	1.6
271.09796	0.3
279.06482	0.4
279.10031	0.5
291.06442	0.3
293.08029	0.4
295.09616	0.9
297.11133	1.0
299.08923	0.3
307.09549	0.6
309.07654	0.4
309.11188	0.4
320.06912	0.3
324.09750	0.4
325.10635	1.3
327.12079	0.4
331.11655	0.6
335.09247	0.3
337.10895	0.5
339.12195	0.9
344.12582	0.4
355.04080	0.4
355.11520	0.5
357.13318	3.4
359.14761	0.6
367.11591	0.9
369.13123	0.8
371.14655	0.7
381.13132	0.4
385.12698	5.7
387.14279	0.8
399.14316	3.1
417.15366	19.1
418.15491	0.9
489.59543	0.3
577.19781	0.4
609.22675	0.8
840.45367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66433	0.8
60.91566	0.8
61.02913	2.9
62.37448	0.8
65.03921	4.3
65.74483	0.8
67.05497	72.0
69.03413	7.3
69.07058	23.0
71.04984	5.7
71.53823	1.2
73.02904	1.5
77.03932	1.3
79.05482	52.7
81.03403	10.5
81.07046	78.3
83.04974	9.0
83.08611	12.8
85.02902	4.5
85.06538	3.8
86.09716	1.7
91.05470	41.3
93.07032	59.6
95.04961	12.8
95.08595	51.1
95.09221	1.7
97.02878	3.7
97.06525	10.6
97.10146	5.1
99.04428	1.8
99.08080	3.0
103.05461	1.2
105.07017	28.4
107.04948	4.7
107.08579	34.6
109.02865	1.8
109.06525	5.6
109.10146	20.6
111.04425	1.6
111.08056	5.1
111.53431	0.8
113.09599	1.6
115.05425	1.2
117.06998	15.1
119.08562	24.7
121.06485	3.3
121.10124	24.0
123.08037	3.6
123.11720	7.1
124.99955	1.2
125.09615	2.1
127.03914	3.3
128.06201	0.9
129.05455	2.3
129.06987	3.4
131.08557	20.1
133.10127	20.2
135.08038	3.9
135.11685	18.1
137.09593	2.6
141.06966	1.8
142.07703	0.9
143.08533	4.8
144.09373	0.9
145.05005	1.1
145.10114	14.2
145.11232	1.0
147.08034	1.2
147.11656	12.0
149.09613	6.5
149.13252	12.9
151.11179	2.7
152.99371	0.9
155.08517	2.3
157.10135	4.1
159.11671	15.2
161.09576	1.0
161.13179	6.4
163.11160	4.8
163.14801	2.4
169.10063	2.5
171.11673	3.7
173.04375	2.7
173.13228	8.7
175.14807	1.9
177.12750	3.8
181.10048	1.1
181.12332	0.9
183.11667	2.6
184.07350	7.5
185.13179	4.1
187.14828	2.7
189.11176	1.5
195.13809	3.7
197.13292	2.0
199.14796	2.1
217.15854	2.5
219.17570	1.0
227.12852	2.1
229.14366	2.4
229.19550	1.6
235.16866	1.6
239.17943	1.9
243.21057	3.6
255.15782	8.2
257.19016	6.5
259.20572	2.1
261.22131	9.6
267.15973	2.2
269.17456	20.3
275.16916	1.2
275.20013	20.5
277.21527	1.2
291.19452	2.3
293.20959	1.7
299.23523	1.1
309.20654	2.3
317.24762	2.2
331.22781	1.9
335.25760	100.0
336.26154	3.1
349.23657	21.1
367.24695	4.5
375.34744	1.0
413.21667	2.4
437.34402	1.2
473.64026	0.9
487.65048	1.1
489.35730	3.0
511.37491	1.2
513.39606	1.3
515.37164	16.0
516.37714	1.0
517.40173	1.0
529.38843	60.5
530.39111	3.3
543.40430	1.2
569.41974	10.3
609.45044	25.9
610.45612	2.2
615.09534	1.1
627.46191	7.1
673.43292	1.5
825.47296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.2
65.03933	5.1
67.05500	70.7
67.05865	3.5
69.03419	6.8
69.07066	25.4
69.45946	18.7
71.04990	2.6
79.05483	51.4
81.03414	5.5
81.07045	83.6
83.04971	8.1
83.08614	16.4
85.02882	4.8
85.06532	3.6
91.05475	42.7
93.07032	63.6
95.04950	10.9
95.08591	50.4
97.02888	2.7
97.06524	9.4
97.10161	7.8
98.21510	4.4
99.04513	2.5
105.07017	32.8
107.04935	7.1
107.08579	40.4
109.06514	3.1
109.10133	23.1
111.08049	6.6
117.07004	15.6
119.08566	25.2
121.06416	3.5
121.10137	26.3
123.08059	6.1
123.11710	7.1
125.09631	6.1
127.03972	2.2
129.07027	3.9
131.08551	23.0
133.06429	2.1
133.10123	23.8
135.08055	2.8
135.11679	18.0
137.09608	4.0
143.08569	3.4
145.10106	20.2
147.11653	13.7
149.09633	6.3
149.13231	14.5
151.11227	3.2
154.19092	2.0
155.08661	2.0
157.10074	3.6
159.11658	12.3
161.09576	2.1
161.13229	5.7
163.11148	5.4
163.14784	3.0
169.10088	3.2
170.24208	2.2
171.11647	5.9
172.12346	2.3
173.11853	2.8
173.13260	8.3
175.14798	2.2
177.12778	3.8
181.12141	2.2
184.07314	4.6
187.14801	2.3
189.11314	2.3
195.13800	2.6
197.13214	3.4
199.14864	3.1
223.13231	2.8
227.12708	5.0
229.14372	2.1
238.45186	2.2
239.17955	2.6
243.21071	4.2
255.15971	7.3
257.19016	7.5
259.20551	2.5
261.22171	12.0
269.17502	19.2
275.20032	29.5
293.20950	5.2
317.24741	3.5
335.25763	100.0
336.26071	4.3
349.23654	26.8
367.24933	9.9
489.35593	8.3
505.34821	4.4
515.37305	18.6
529.38739	34.2
569.41486	3.3
609.45026	43.4
610.45563	2.9
627.46368	18.4
724.55560	2.2
825.52094	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	824.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86204	1.3
61.02928	1.6
65.03938	4.3
67.05497	80.6
69.03429	7.8
69.07059	23.1
69.39903	7.5
69.40331	6.7
71.04979	4.4
74.04672	1.4
77.03919	2.0
79.05483	74.8
81.03403	5.6
81.07048	71.3
83.04973	8.2
83.08610	30.0
85.02897	4.0
85.06524	4.2
91.05470	40.6
91.06056	1.6
93.07032	71.3
95.04955	10.1
95.08592	48.9
97.02869	2.3
97.06525	2.8
97.10154	47.5
99.08097	2.4
105.07018	39.5
107.04945	4.0
107.08583	90.4
109.02896	2.3
109.06516	6.1
109.10139	28.1
111.08084	5.2
117.06998	12.7
119.08568	26.5
119.09351	2.6
121.06477	2.4
121.10133	31.8
123.08043	2.7
123.11690	10.6
124.45118	1.6
125.09615	43.5
127.03912	4.5
128.06245	2.3
129.07004	3.0
131.08556	18.1
133.10115	25.0
135.08052	6.4
135.11670	14.1
141.06989	1.7
143.08557	5.7
143.10635	3.3
145.10098	28.1
147.11662	19.6
149.09621	7.5
149.13239	7.7
153.09082	3.0
153.12756	1.7
155.08492	3.0
157.10092	4.0
159.11705	13.1
161.09566	2.5
161.13216	8.3
163.11192	2.1
163.14809	4.6
169.10100	2.8
171.10182	3.4
171.11676	5.4
173.11768	2.6
173.13239	7.9
175.14746	2.0
183.11682	3.0
185.13263	2.9
187.14816	3.6
189.11203	25.5
197.13275	2.3
201.16376	2.2
227.12764	57.7
239.17950	3.7
241.19579	1.5
243.21083	4.3
245.13828	4.4
257.19037	8.8
259.20590	5.9
261.22092	16.1
275.20041	40.0
276.20517	1.6
277.21799	2.7
312.25818	1.3
317.24677	2.4
330.66592	1.9
331.22681	5.2
333.24329	7.5
335.25772	100.0
349.23718	45.7
349.28079	2.6
351.25055	1.9
367.30051	2.7
389.18011	2.7
404.13663	1.5
487.34259	4.0
505.35220	24.7
517.39880	1.9
535.41309	3.7
591.43628	2.1
609.45056	98.5
610.45758	3.6
627.46057	16.2
649.38861	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	824.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.2
65.03931	2.2
67.05498	45.7
69.03407	2.8
69.07058	24.9
71.04984	2.4
73.06536	2.1
77.03896	1.1
79.05486	41.9
81.03426	1.3
81.07047	45.6
83.04976	3.0
83.08607	8.0
84.04507	1.5
85.02889	2.7
85.06541	2.7
86.09682	2.0
91.05471	45.9
93.07032	46.6
94.07304	0.9
95.04950	8.5
95.08599	36.6
96.08921	1.4
97.02882	2.3
97.06509	5.4
97.10161	3.8
97.57400	1.0
98.21093	6.4
99.04464	1.1
103.05452	1.0
105.07022	42.4
107.04964	1.3
107.08580	25.7
109.06530	2.2
109.10148	13.8
111.08067	2.4
114.27913	1.0
115.05439	2.5
115.07558	16.9
116.07825	1.0
117.06995	21.1
119.08569	35.3
121.10120	17.5
123.08079	2.0
123.11709	4.1
125.09646	1.3
127.03912	3.2
128.06212	4.6
129.06982	16.2
129.09125	4.1
130.07753	2.0
131.08551	30.3
133.10114	23.0
135.11664	10.2
137.09625	1.4
137.13226	1.6
139.03853	1.0
139.11189	1.5
141.06949	5.2
142.07808	2.7
143.07031	7.4
143.08524	16.5
145.10101	25.8
147.08025	1.1
147.11671	15.1
149.09592	1.6
149.13199	5.8
153.06981	1.4
154.07777	1.9
155.08516	9.7
156.09308	1.7
157.08740	2.7
157.10095	17.0
159.11685	16.9
161.13271	8.1
163.14824	2.7
167.08534	5.7
168.09334	1.3
169.10107	11.9
171.11678	13.2
173.13284	8.6
175.11159	1.8
175.14845	3.0
177.12766	1.1
179.08578	1.7
180.09300	1.4
181.10098	6.6
183.11682	13.5
184.07288	6.6
185.13217	10.1
187.11220	1.5
187.14825	5.0
189.16299	3.0
193.10089	2.4
195.11725	6.9
197.13232	9.2
199.14812	5.4
201.16429	2.1
207.11682	2.4
209.13248	7.3
211.14838	5.4
213.16435	3.3
214.56688	1.0
215.17955	1.3
221.13190	2.4
223.14795	4.1
225.16414	3.2
227.18040	2.1
231.17430	1.9
235.14833	2.9
237.16463	2.2
239.17953	4.3
241.17696	2.2
241.19762	1.9
243.12228	3.9
245.89818	1.2
249.16565	1.4
251.17973	2.3
255.19550	1.6
257.13745	5.8
257.19016	4.9
259.20505	6.6
261.22195	2.0
263.17984	1.9
265.19611	1.6
275.20309	1.3
297.22037	1.8
323.23578	1.2
327.23303	1.6
331.22931	1.6
333.24252	4.8
335.26016	4.8
337.25247	2.2
349.24240	1.6
351.26678	1.9
363.26346	1.3
365.28391	2.9
377.28238	2.2
379.30072	1.6
381.27594	1.2
383.16650	1.5
403.24088	1.5
403.29352	1.2
421.30588	1.4
447.32065	1.3
461.33585	1.0
473.32526	1.8
487.33960	1.7
501.35416	2.2
515.37555	1.7
517.40515	10.3
521.36243	1.9
535.41150	5.7
539.37195	3.1
555.41449	1.5
591.44055	8.1
597.87921	1.2
609.45062	100.0
610.45325	6.3
621.45404	1.4
651.46191	1.4
694.14307	1.1
728.74298	1.3
753.47986	1.8
771.49994	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	824.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70320	2.2
63.06194	2.3
65.03929	5.0
67.05496	83.0
69.03413	7.9
69.07059	24.8
71.04978	4.0
71.63934	3.5
78.91221	2.7
79.05482	80.8
81.03425	6.4
81.07047	72.9
81.07509	5.0
83.04971	6.2
83.08609	28.6
85.06519	3.0
91.05468	37.3
93.07032	61.2
95.04971	8.0
95.08596	45.5
97.02871	3.3
97.06554	3.6
97.10162	54.3
97.10760	4.0
105.07019	45.2
107.04958	7.4
107.08582	97.3
109.02843	4.0
109.06510	5.9
109.10149	32.4
111.08070	6.4
115.05411	4.5
117.07008	16.9
119.08560	27.6
121.06535	2.6
121.10132	28.5
123.11710	9.6
125.09615	62.3
129.07025	4.0
131.08568	19.4
133.10103	23.3
135.08051	7.1
135.11655	17.7
143.08537	6.1
143.10696	2.5
145.10097	28.5
147.11662	22.1
149.09647	10.0
149.13243	6.0
153.09050	6.2
155.08554	3.4
157.10136	7.3
159.11679	15.5
161.13255	7.8
163.11142	2.5
163.14793	3.8
169.10139	3.4
171.10172	4.7
171.11633	4.6
173.13298	7.0
175.14789	5.0
183.11674	3.8
185.13150	3.0
187.13367	3.0
187.14854	5.5
189.11185	35.7
197.13310	3.8
227.12758	100.0
229.19498	3.3
239.17995	2.9
243.21037	3.7
257.19110	13.6
259.20584	3.7
261.22089	19.5
275.20016	55.3
277.21854	2.8
331.22626	8.2
333.24246	5.2
335.25760	82.1
337.27020	2.4
349.23697	64.5
369.24118	2.9
389.17825	4.8
465.42795	3.2
487.34244	7.0
505.35468	11.2
511.62973	2.8
609.44983	97.5
610.45087	4.0
614.92786	2.5
625.56287	2.3
627.46259	18.9
649.38446	3.8
720.92352	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	825.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.3
67.05499	4.7
69.03425	2.4
69.07056	5.3
69.42146	4.4
73.02917	2.9
79.05476	3.8
81.03409	2.0
81.07054	5.3
83.04977	1.1
83.08608	1.1
84.75761	0.4
85.02895	3.5
91.03953	1.5
91.05467	5.1
93.07047	4.0
95.01360	0.9
95.04973	1.3
95.08596	3.8
97.02891	3.0
97.06533	2.0
97.89309	0.4
98.20783	1.1
99.04446	0.6
101.02393	1.2
105.07021	5.7
107.04935	2.4
107.08597	1.9
109.02866	0.7
109.06484	0.6
109.10149	1.1
111.04463	0.4
114.22054	0.4
117.07014	1.7
119.08555	3.1
121.06501	0.6
121.10114	0.8
125.09614	0.5
127.03893	0.8
129.07050	0.5
131.08580	2.0
133.10141	3.1
135.11714	1.1
145.10144	1.5
147.11687	1.5
149.09665	2.0
149.13260	0.8
149.68584	0.4
155.93945	0.5
159.11707	1.8
161.13278	0.8
163.11215	1.2
173.13324	0.6
177.12845	0.5
178.43134	0.5
179.14346	1.7
184.07347	1.3
203.05173	0.5
229.14301	0.6
243.08333	2.8
253.32867	0.5
257.19174	0.5
275.20078	1.1
285.18307	1.0
315.19260	6.2
371.21796	2.3
467.37195	1.0
533.27191	20.8
534.27374	1.3
569.84735	0.6
730.17426	0.6
825.47455	100.0
826.47736	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	826.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.2
61.02919	9.5
65.03915	1.0
67.05498	53.3
69.03405	1.2
69.07060	5.2
71.04970	2.0
71.08625	15.1
71.37210	1.3
71.37572	1.0
73.02890	2.6
79.05494	1.4
81.07050	13.7
83.08615	8.9
85.02896	9.9
85.06519	1.8
85.10177	8.6
86.09693	1.7
89.05973	0.9
91.03946	8.5
91.05465	4.0
93.07047	2.0
95.08592	12.4
96.43767	0.7
97.02886	6.1
97.10134	3.9
99.04418	1.0
99.11707	1.0
103.44756	0.7
106.10883	0.7
107.08560	0.7
109.10144	58.2
111.08065	2.4
115.03968	0.8
118.15155	0.7
119.08549	4.7
123.11662	2.0
124.99978	1.4
127.03872	2.2
137.09605	2.8
137.13205	1.2
141.15868	0.8
145.04919	2.9
155.10652	2.7
161.87207	0.8
162.89432	0.8
163.06010	3.9
173.11716	18.8
184.07338	6.6
229.14330	100.0
239.23618	1.6
257.24680	1.4
313.27328	73.4
314.27655	2.3
322.85959	0.8
467.37292	70.3
468.37445	2.6
826.47498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.8
67.05502	5.1
69.03424	2.4
69.07072	3.3
69.61610	2.3
69.62047	2.3
71.01355	0.8
71.04996	0.7
73.02923	3.6
74.55535	0.8
79.05493	4.9
81.03414	2.1
81.07061	5.2
83.04996	0.8
83.08634	1.3
85.02908	5.1
91.03961	2.5
91.05479	4.8
93.07037	6.0
95.01329	0.6
95.04985	1.3
95.08603	3.6
97.02909	4.7
97.06557	0.7
101.02407	1.4
105.07033	4.2
107.04954	0.8
107.08594	2.2
109.02833	0.5
109.10172	2.2
117.07046	1.2
119.08559	3.1
121.10152	1.5
127.03910	1.4
131.08577	1.6
133.10141	3.1
135.11693	1.2
143.08592	0.6
145.10127	1.1
147.11653	1.2
149.09665	0.8
149.13203	0.9
149.72762	0.5
159.11707	1.3
161.13380	0.9
184.07410	1.9
185.04240	1.1
196.85643	0.5
212.38882	0.5
229.14442	0.8
243.08437	3.3
275.20267	1.0
301.09073	1.5
315.19312	6.3
355.22522	0.7
371.17389	0.7
371.22009	2.5
373.23450	0.6
465.21240	1.8
495.22333	1.1
533.27185	12.4
535.28802	7.2
575.35815	0.6
605.29321	1.5
619.30908	0.9
689.38574	0.7
827.49097	100.0
828.49603	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	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.0
62.25976	0.8
62.35543	0.7
64.34619	0.7
67.05490	5.2
67.55991	0.7
69.03416	4.3
69.07070	0.7
69.44192	3.8
69.44620	3.4
72.90952	0.7
73.02905	4.7
79.05475	4.4
81.03404	2.3
81.07042	7.8
83.08598	1.4
85.02888	4.9
91.03957	3.8
91.04451	0.9
91.05469	1.7
93.07035	5.4
95.08598	5.1
97.02885	5.2
99.04482	0.9
100.17566	0.8
101.02361	2.3
105.07015	1.5
107.08598	2.7
109.02885	1.1
109.10149	1.5
119.08598	2.3
121.10110	1.3
123.08115	1.1
123.86111	0.7
127.03885	1.2
131.08522	1.5
133.10098	1.0
135.11713	1.9
141.78119	0.9
175.21222	0.8
184.07306	1.3
185.04332	1.2
202.98166	0.8
243.08492	3.3
333.20377	3.5
335.01486	0.8
519.29340	9.7
551.28363	2.9
802.70313	1.1
829.50592	100.0
830.51013	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	829.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52591	0.3
61.02918	4.5
61.39378	0.3
67.05492	3.7
69.03418	2.8
69.07066	2.1
70.19553	0.3
70.33380	1.2
71.04971	0.7
73.02909	3.4
79.05482	4.7
81.03427	1.5
81.07042	4.1
81.07436	0.4
83.04992	0.4
83.08612	0.8
85.02899	5.1
85.08571	0.3
86.09716	1.0
87.10034	0.4
91.03939	3.1
91.05468	4.7
92.21201	0.3
93.07032	6.4
95.04960	1.3
95.08604	3.3
97.02884	4.2
97.06490	0.4
97.10184	0.5
98.21178	0.6
99.04459	0.7
101.02367	1.7
103.03994	0.6
105.04467	0.4
105.07011	4.3
107.08581	3.3
109.02869	0.5
109.10159	1.1
115.03933	0.5
116.00014	0.3
117.07038	1.2
119.08578	3.3
121.10149	2.3
123.04384	0.4
125.00024	0.5
125.09631	0.3
127.03915	1.7
129.07039	0.9
131.08588	1.6
133.10115	2.7
135.08098	0.3
135.11664	1.6
143.08586	0.8
145.10150	1.3
147.11638	2.0
149.13312	1.0
157.10205	0.3
159.11748	0.9
161.13316	1.0
171.11656	0.6
173.13321	0.7
184.07321	3.3
185.04262	1.4
185.07652	0.4
185.13324	0.4
201.03743	0.6
203.05292	0.7
241.06824	0.3
243.08388	4.1
259.07919	0.4
259.20639	1.0
274.26138	0.3
275.13153	0.4
297.13077	0.6
299.20044	0.6
301.09027	2.0
313.09061	0.7
315.10617	1.4
317.20847	1.3
327.10339	0.3
327.95956	0.4
333.24335	0.6
344.97009	0.4
350.81879	0.3
357.15509	0.5
369.11264	0.5
369.15500	0.7
371.16989	0.4
373.10934	0.6
373.23462	1.0
385.18463	0.8
397.18393	0.7
415.24326	0.4
423.20065	0.4
429.17017	0.4
465.21024	3.0
495.22275	0.8
498.53757	0.3
525.22833	2.0
535.28790	17.8
536.29395	1.0
607.30859	2.3
649.35339	0.4
687.07275	0.5
691.38879	0.5
759.42877	0.7
766.54773	0.4
829.50635	100.0
830.38861	0.5
830.50970	10.6
830.66632	0.6
846.38000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.6322
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32750	1.2
65.03929	4.5
67.05497	65.9
69.03410	2.0
69.03759	1.3
69.07057	27.7
69.52203	11.3
71.04980	3.3
71.08614	1.6
71.95393	1.4
79.05484	57.2
79.05952	2.7
81.03386	1.2
81.07047	69.6
83.04959	3.7
83.08610	18.7
84.96886	1.2
85.06536	4.2
91.05467	44.4
91.08863	1.4
93.07033	64.8
95.04951	9.2
95.08598	64.0
97.06515	4.7
97.10150	10.0
98.20734	2.1
98.21323	3.6
103.05446	1.8
105.07020	47.9
107.08582	40.3
109.06516	2.4
109.10140	29.0
111.08089	2.0
112.84949	1.4
115.05441	3.5
117.07004	27.5
119.08566	43.2
119.57813	1.1
121.06518	1.2
121.10136	27.8
123.08036	3.3
123.11726	7.5
125.09637	3.8
128.06232	4.7
129.06987	17.4
130.07843	1.4
131.08549	36.9
133.10114	31.2
133.11070	2.2
135.08134	1.4
135.11681	23.4
137.13249	2.8
141.06978	9.0
142.07799	4.5
143.08542	25.0
145.10107	31.7
147.11661	20.7
149.09587	2.7
149.13237	13.1
151.11206	1.5
153.07010	3.0
154.07776	1.7
155.08551	18.8
156.09241	3.1
157.10109	23.9
158.10869	1.4
159.11674	24.8
161.13232	9.6
163.14810	4.8
165.07048	3.7
166.07770	1.5
167.08560	9.6
168.09280	1.6
168.94652	1.3
169.10103	19.2
170.10912	2.5
171.11678	18.3
173.09779	1.3
173.13252	14.7
175.14786	6.6
177.16504	1.2
178.07764	1.4
179.08569	7.4
181.10074	10.8
182.10844	1.4
183.11690	17.0
183.13235	1.9
184.07329	3.0
185.13252	15.6
187.14815	9.7
189.16382	2.0
191.08650	1.5
193.10170	4.7
194.10915	1.5
195.11708	10.5
197.13263	13.7
199.14856	11.6
201.16422	4.6
203.17944	1.8
205.10152	2.5
206.10802	1.6
207.11688	6.4
208.12502	1.8
209.13295	12.6
209.15224	2.2
211.14790	10.0
213.16438	6.4
215.17943	2.1
219.11685	4.8
221.13304	5.3
221.15251	2.5
223.14818	8.4
225.16415	4.1
227.17969	3.6
229.19431	1.7
233.13275	2.5
235.14830	4.8
235.16904	3.2
237.16364	5.3
237.18565	2.1
239.17993	3.0
241.19501	2.8
245.13235	1.9
247.14888	2.3
249.16341	3.0
249.18578	2.9
251.17937	2.2
251.20155	2.6
253.19443	1.6
259.14859	1.7
259.20563	1.7
261.16391	2.6
263.17761	2.9
263.20215	2.8
267.66229	1.3
275.20334	2.2
277.21622	36.7
283.20706	1.4
287.20050	1.5
289.21893	2.4
301.21890	1.6
303.23483	2.0
311.20139	2.8
313.21738	1.5
315.23288	4.6
317.00067	1.4
317.24927	2.8
325.21844	1.7
327.23254	2.4
329.24658	2.0
331.26382	2.9
339.23169	2.5
341.24771	2.6
343.26291	3.4
345.27899	2.3
347.66263	1.4
355.26392	3.8
357.28000	6.3
359.29431	3.4
361.25394	2.0
367.26263	1.5
369.27942	5.1
371.29520	7.0
381.27939	2.7
383.29498	6.8
385.31073	4.5
393.27597	1.6
395.29184	1.6
397.31058	3.2
405.28516	1.9
407.29269	1.6
421.31198	1.7
423.32791	1.5
431.31836	1.6
435.32587	2.1
445.33051	5.2
447.33670	2.0
447.86960	1.4
457.33240	3.1
459.34677	7.3
471.34592	5.7
473.36072	4.3
483.34558	3.3
485.36484	3.3
497.36285	2.5
499.38153	2.3
539.41687	1.6
551.41113	7.2
552.41998	3.4
553.42407	8.1
589.42944	2.3
631.46997	2.5
659.50195	1.9
719.52240	1.9
759.55566	4.4
760.55560	1.9
780.16364	1.6
793.62415	2.3
811.61609	4.0
829.63251	100.0
830.63483	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	833.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.7
67.05486	0.6
68.99797	0.7
69.03420	5.3
69.07066	0.4
69.42665	2.1
70.06596	0.3
71.04980	9.3
73.02893	0.3
79.05486	1.3
81.02969	0.5
81.03409	6.0
81.07052	1.4
85.02892	5.6
85.06501	0.3
91.05460	4.3
93.07032	2.2
95.04958	0.9
95.08586	2.5
97.02872	2.8
97.06486	0.3
97.10170	0.3
99.04439	32.8
103.05447	0.8
105.07015	41.2
106.07343	0.6
107.04933	0.5
107.08565	1.5
109.02867	3.7
109.06497	1.0
109.10127	0.5
111.00774	0.9
111.04453	0.3
115.05422	0.6
117.05479	0.7
117.07035	0.6
118.07814	0.3
119.04901	0.6
119.08566	2.2
121.02879	0.7
121.06474	3.3
121.10121	0.3
123.04398	0.3
123.08054	4.4
123.11676	1.4
127.03894	4.2
127.41957	0.2
128.06221	1.3
131.04980	0.4
131.08548	0.9
132.05682	0.3
133.06479	5.7
133.10110	28.3
134.10449	0.4
135.04428	0.3
135.11681	0.9
137.02322	8.4
137.03377	0.4
137.05962	0.8
141.06877	0.2
143.08534	2.7
145.04945	0.6
145.06447	0.6
145.10097	2.1
146.07253	2.4
147.04399	0.5
147.08049	0.4
149.02328	0.9
151.07533	2.3
151.11168	1.7
153.01808	3.2
159.08066	0.5
161.09593	67.4
162.09872	0.8
163.03883	1.6
163.11156	13.4
165.01854	1.9
171.02831	0.7
173.05965	0.4
174.06747	0.4
179.10649	31.2
180.10957	0.3
183.02893	0.5
187.03807	0.3
189.09082	9.1
199.03886	0.3
201.05467	1.2
207.10130	22.9
211.08627	0.3
219.02956	0.4
219.06473	0.2
225.11147	1.4
229.04944	3.1
247.05966	0.8
257.04398	3.0
261.03931	0.3
274.04706	0.7
275.05441	0.2
285.03940	1.0
295.11829	0.2
303.04950	100.0
304.05249	1.8
305.13959	0.3
319.04373	2.1
323.14798	0.4
333.13177	0.7
345.05991	1.1
351.14371	8.1
352.14758	0.3
369.15369	13.4
465.09961	0.8
671.19299	0.6
835.97388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	5.4
67.05499	83.4
69.03417	7.0
69.06760	2.2
69.07066	21.2
70.14563	7.5
71.04982	6.4
75.04577	1.6
75.68730	1.7
79.05483	63.2
81.03407	8.2
81.07050	84.4
83.04979	11.9
83.08627	12.5
85.02919	3.1
85.06529	6.7
91.05470	100.0
93.07034	72.2
95.04971	19.8
95.08038	3.5
95.08603	41.4
97.06519	9.5
97.10158	4.7
98.21420	2.3
99.04424	2.4
103.05469	3.6
105.07023	93.0
107.04933	11.5
107.08578	53.0
109.06518	10.6
109.10149	52.1
111.08099	5.5
113.05975	1.9
115.05415	3.4
116.06245	3.0
117.07014	19.3
119.08568	52.8
121.06524	8.8
121.10124	22.1
123.04428	3.2
123.08051	6.7
123.11703	10.3
124.47104	1.8
125.09638	2.4
127.03940	2.4
127.07566	2.6
128.06186	4.5
129.06990	13.6
129.12823	2.0
131.08551	32.5
131.09486	3.0
133.06473	4.2
133.10117	97.0
135.08067	6.8
135.11676	17.3
137.09619	3.5
142.07748	3.8
143.08556	15.3
145.06485	2.8
145.10103	23.9
147.08035	6.0
147.11681	34.6
149.09641	9.3
149.13210	8.9
151.11172	32.8
155.08559	5.6
155.29709	2.0
157.10100	13.9
159.08049	2.3
159.11688	19.6
161.09613	9.1
161.13239	17.5
163.11191	8.5
169.10104	5.9
169.12257	5.7
171.11626	13.5
173.09624	3.0
173.13235	10.0
175.11169	2.6
175.14812	5.4
177.12865	2.5
183.11713	4.4
184.07436	2.2
185.13268	11.5
187.14784	5.6
189.12653	2.3
197.13243	3.8
199.10994	1.9
199.14821	6.8
201.16464	2.5
213.16412	2.6
215.12813	3.0
215.17931	2.7
227.17982	2.5
231.21051	5.5
238.41374	1.7
239.17792	2.7
241.19504	22.1
245.19034	4.2
253.14325	82.0
257.19025	3.2
259.20581	52.6
261.18405	2.0
263.20135	3.0
271.15378	4.1
273.15701	3.1
273.18420	20.2
275.19974	5.2
289.18051	2.6
291.19540	17.2
309.20505	2.3
313.21655	2.4
315.23129	7.6
333.24219	44.7
335.25806	3.5
347.22165	5.5
349.23901	2.0
353.28323	2.7
363.21780	2.2
365.23175	30.9
409.30649	3.0
419.29306	3.2
437.30542	6.1
455.31540	4.5
487.34140	2.2
501.35294	5.7
511.34177	17.9
513.37036	2.8
529.35236	17.7
531.38226	3.8
605.42047	12.2
623.43042	50.7
641.43903	8.6
645.08722	2.2
782.15491	2.4
788.05249	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	1.7
65.03925	3.9
67.05496	66.0
69.03416	7.0
69.07058	51.4
69.73150	10.7
71.02882	1.4
71.04977	5.8
77.03906	1.9
79.05484	56.0
81.03406	13.7
81.07048	84.5
83.04980	11.4
83.08599	15.0
84.61224	1.2
85.02855	2.2
85.06539	2.5
87.04455	2.2
91.05471	77.3
93.07030	62.0
93.49261	1.3
95.01328	9.4
95.04958	15.3
95.08597	43.0
97.02847	4.0
97.06516	28.9
97.10139	8.5
98.20964	4.4
99.04413	2.4
99.08087	3.1
103.05437	2.2
105.07018	89.5
107.04945	22.6
107.08584	37.5
109.06490	10.1
109.10133	18.6
111.08056	6.3
115.05415	2.4
117.07006	26.4
119.08571	53.4
121.06504	7.6
121.09412	1.8
121.10134	18.0
123.04455	2.8
123.08022	7.7
123.11697	3.6
125.09612	6.8
128.06190	1.5
129.06967	7.8
130.07753	2.2
130.70323	1.4
131.08539	31.8
133.06474	3.0
133.10112	52.1
135.08034	5.4
135.11676	14.9
137.09590	3.1
141.06982	3.3
143.08569	11.8
145.06427	2.5
145.10107	27.5
147.08026	4.0
147.11667	25.5
149.09599	10.7
149.13235	10.9
151.11166	5.2
155.08554	3.7
157.10104	7.1
159.11674	21.4
161.09625	3.6
161.13232	9.9
163.11206	7.8
163.14853	2.6
165.09111	2.4
165.12793	1.6
166.30089	1.5
169.10086	5.4
171.11650	6.9
173.09680	2.0
173.11957	1.7
173.13213	10.5
175.11092	1.7
175.14737	4.2
177.12723	5.4
179.14299	14.8
183.11659	3.6
184.07329	4.0
185.13240	3.5
187.11172	2.6
187.14813	1.7
188.19347	1.4
189.11198	2.3
195.13739	1.9
197.13194	2.5
199.14870	2.3
205.12025	2.4
213.16367	2.4
223.13268	6.6
227.12759	5.3
229.19458	3.1
239.17924	3.1
241.19487	4.0
247.20419	3.4
249.14803	2.3
253.14319	1.8
255.15852	3.5
257.18881	8.3
259.20560	13.1
267.15878	1.9
269.17413	13.7
273.18503	5.9
275.20026	77.2
279.15842	2.2
291.19510	42.9
293.20981	5.4
315.23129	2.0
333.24167	12.6
349.23694	45.1
365.23178	12.7
367.25070	2.3
440.31854	1.5
445.97052	1.7
511.34454	2.2
525.35138	3.9
529.35089	22.4
541.36475	1.7
543.36774	100.0
544.37347	3.1
590.54095	2.0
605.41400	2.5
623.42987	44.1
624.43524	1.8
641.44263	13.0
687.40222	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	838.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02186	1.6
59.04977	2.2
61.02894	1.7
67.05497	71.1
69.03416	12.2
69.07060	45.3
69.58521	15.1
71.04979	5.8
79.05481	64.1
81.03416	8.3
81.07047	76.5
83.04974	8.7
83.08611	23.2
85.02886	2.9
85.06520	4.2
87.04464	3.3
91.05469	77.8
93.07031	65.6
93.07619	3.2
94.40674	1.7
95.04954	15.9
95.08042	2.9
95.08598	44.6
97.02873	13.6
97.06517	15.0
97.10151	21.2
99.08081	3.0
100.33132	1.7
103.05445	2.7
104.06264	1.8
105.04608	1.5
105.07017	79.2
106.07375	1.9
107.04924	15.5
107.08581	46.3
109.02843	1.9
109.06492	8.6
109.10136	18.4
111.08076	4.9
112.23466	1.7
113.09657	1.7
115.05444	4.8
116.06177	1.5
117.07005	26.6
117.59599	1.7
119.08562	65.5
121.06511	7.2
121.10134	21.2
123.04441	2.8
123.08045	5.2
123.11669	4.8
125.09605	15.0
128.06242	4.8
129.05510	1.9
129.07002	14.1
130.07777	2.0
131.08548	33.6
133.06511	4.6
133.10114	43.5
135.08037	7.2
135.11682	17.1
137.09648	4.8
141.06964	4.8
142.07774	2.4
143.08553	14.6
145.06416	1.9
145.10104	28.6
145.74872	1.8
147.08035	8.8
147.11661	37.1
149.09595	7.4
149.13248	9.0
153.09071	2.5
155.08534	7.4
157.10153	14.0
159.11652	21.6
161.09613	4.1
161.13254	17.2
163.11160	3.9
163.14830	3.3
165.09082	2.0
167.08574	2.5
169.10121	7.9
171.10254	2.8
171.11644	15.6
173.13245	13.1
175.11156	4.5
175.14757	8.0
181.10153	2.3
182.10825	2.0
183.11658	5.9
184.07263	2.9
185.09624	1.9
185.13200	9.8
187.14781	4.1
189.11214	10.4
189.12753	2.7
193.12209	1.8
195.11763	2.6
195.13759	2.3
197.13231	5.2
199.14816	6.0
205.12393	2.8
209.13301	2.5
211.14764	2.4
213.16403	4.8
215.17949	2.4
217.19550	1.8
223.13197	17.6
223.15039	1.9
227.12724	12.4
227.18001	2.7
231.21010	5.3
239.17982	3.1
241.19504	21.9
245.13512	2.2
249.14897	3.4
257.19019	5.7
259.20544	44.9
273.18506	12.3
275.20050	24.6
289.17950	2.2
291.19498	100.0
292.19901	3.0
293.21149	2.3
297.22211	2.2
299.23669	2.8
313.21442	2.1
315.23080	9.3
333.24197	57.8
335.26047	2.2
349.23709	16.6
363.21591	2.1
365.23187	50.0
367.24805	8.4
379.29996	6.2
513.36823	2.1
517.23767	1.9
525.35657	13.3
529.35059	4.0
531.38074	3.5
543.36621	16.8
549.39471	2.3
605.41412	6.9
623.42981	89.3
624.43060	2.7
641.43970	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	838.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79258	1.0
60.57038	0.9
65.03924	3.3
66.98029	1.3
67.05499	52.5
67.69402	0.9
69.03414	3.4
69.07061	39.0
69.28601	12.8
69.51450	1.0
71.04975	4.3
71.33109	0.9
72.94317	0.9
79.05485	45.1
81.03404	12.1
81.07050	82.5
81.39272	1.0
82.79986	1.0
83.04976	11.5
83.08603	13.0
85.02887	2.0
85.06549	2.4
86.09673	1.2
87.04475	5.5
91.05470	66.4
93.07034	49.3
95.01319	9.7
95.04962	15.9
95.08599	39.1
97.02888	2.8
97.06524	33.5
97.10146	5.1
99.08070	2.6
103.05467	2.1
105.07019	86.7
107.04940	22.1
107.08581	32.1
109.02863	2.1
109.06516	9.4
109.10151	12.5
111.04407	1.9
111.08042	3.3
113.09619	1.5
117.07018	18.5
119.08566	50.4
121.06514	4.9
121.10139	14.0
123.04436	4.3
123.08040	4.8
123.11704	3.6
125.09624	4.6
125.40896	1.0
129.07011	5.1
130.07738	1.7
131.08546	29.1
131.09499	2.0
133.06552	1.4
133.10120	52.1
135.08061	5.2
135.11676	13.3
137.09615	3.7
139.07542	1.8
141.06998	3.6
142.07784	1.3
143.08534	6.0
145.06464	3.9
145.10098	22.1
147.07997	1.5
147.11674	22.1
149.09618	13.8
149.13261	9.1
151.11189	3.2
155.08546	3.8
157.10106	6.0
159.08009	1.3
159.11681	16.9
161.09650	1.4
161.13242	7.9
163.11174	9.6
163.14772	1.4
165.09021	2.1
165.12756	2.1
169.10110	3.6
171.11671	3.4
173.04543	1.1
173.09569	1.2
173.13245	6.7
175.11147	2.4
177.12701	4.0
179.14290	16.4
183.11652	2.9
184.07324	2.0
185.13257	1.2
187.11182	4.1
187.14815	1.7
189.12749	1.3
191.14395	1.1
193.12154	1.2
195.13782	2.1
197.13220	2.7
203.17929	1.4
205.12250	1.8
215.17870	1.6
219.13861	2.1
227.12723	5.2
229.19527	1.4
239.17897	2.7
247.20477	2.4
255.15868	4.5
257.18970	12.2
267.15771	1.1
269.17435	12.2
275.20035	100.0
279.15875	2.4
293.21103	6.6
331.22534	2.5
333.24170	1.3
349.23712	59.4
350.24246	2.2
365.22849	1.3
367.24692	3.2
413.21619	1.7
469.04254	1.1
503.33517	3.2
519.32965	1.9
529.35242	27.7
543.36755	96.8
544.36993	3.4
561.37335	1.5
583.39520	1.7
595.43365	1.2
605.41876	1.9
623.42969	54.4
624.42908	2.0
632.16119	1.2
641.44012	12.2
687.40686	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38715	0.8
61.02911	1.1
65.03916	1.6
67.05478	1.5
69.03412	5.8
70.06563	1.5
70.23891	1.9
70.24283	1.9
71.04984	1.1
73.02883	2.0
79.05471	1.3
80.05028	1.2
81.03410	13.0
83.04970	1.3
85.02894	6.1
91.05463	2.1
93.05758	1.0
93.07013	2.3
94.06548	5.5
95.04955	2.0
96.04456	0.9
96.08133	2.0
97.02888	7.2
99.04485	1.4
105.07012	1.1
106.06518	1.3
107.04969	0.8
108.04471	6.7
108.08101	16.3
109.02861	9.5
110.06020	3.2
110.09649	3.6
111.04405	2.2
118.06553	1.5
119.07303	1.0
119.74801	0.8
120.04454	2.0
120.08087	8.4
122.06026	8.9
123.04390	1.5
123.06742	1.0
124.07569	9.5
125.02344	1.0
127.03907	4.3
132.08015	1.1
134.05980	2.0
136.07562	37.6
137.05908	1.0
138.05499	1.2
138.09117	6.9
139.03891	1.7
140.07079	1.9
142.08597	2.7
144.04437	1.5
146.05998	7.5
147.06763	1.3
148.03946	0.8
148.07513	6.7
150.05461	2.1
150.09059	1.8
152.07048	2.2
154.08592	2.8
160.03844	0.9
160.07565	2.3
162.05453	3.0
163.03879	1.2
164.07037	10.4
166.04999	1.0
166.08594	7.6
166.98180	0.8
167.07149	1.4
168.06537	3.3
168.07800	0.8
172.03922	10.7
173.10715	1.7
174.05479	3.3
176.07024	2.4
182.09666	1.7
183.09073	1.3
184.09892	1.1
185.10796	1.4
190.04987	5.5
192.06563	1.0
194.09628	1.5
195.09222	1.2
196.09755	1.6
197.10730	2.9
198.07698	1.4
198.09264	1.6
198.11374	1.0
199.05939	1.0
199.08626	4.9
199.12262	1.1
201.10184	3.0
204.06534	15.8
206.08240	5.4
209.10698	2.0
210.07628	1.2
210.11218	1.3
211.08595	22.7
211.11949	4.6
212.07451	1.6
212.09224	7.0
213.06781	1.0
213.10205	16.1
213.13692	1.3
214.10832	4.0
215.08246	1.3
215.11871	2.1
221.10686	4.0
222.09096	2.5
222.11153	0.9
223.08530	4.7
223.12245	2.2
224.09233	2.8
224.10901	1.9
224.12558	0.9
225.10181	24.9
226.08774	1.9
226.10744	6.4
227.08130	6.8
227.11749	9.0
228.08754	1.0
228.12473	1.2
229.09647	3.1
229.13269	1.3
235.08572	1.5
237.10202	6.8
238.10907	4.3
239.08081	5.7
239.11743	26.3
240.08786	5.6
240.12462	3.3
241.09673	19.1
241.13293	11.5
242.10333	3.9
243.11252	7.9
244.11937	1.4
245.12831	1.5
249.10176	3.9
250.08589	3.3
250.11011	1.5
251.08121	6.3
251.11757	6.4
252.08940	5.1
253.07057	1.5
253.09695	27.3
253.13281	2.7
254.08063	1.6
254.10352	8.1
255.11266	18.5
256.11990	4.5
257.12790	6.0
259.10788	1.1
259.14365	6.4
263.11774	2.1
264.08917	1.9
265.09622	7.4
265.12518	1.1
266.10468	2.3
267.07837	3.5
267.11240	48.9
268.08530	1.3
268.11957	4.6
268.14511	0.9
269.09183	7.9
269.12784	20.4
270.13495	1.4
271.10855	5.3
271.13681	1.4
272.11237	3.4
273.12289	5.7
275.14078	0.9
277.09741	2.3
278.07794	1.4
278.10550	1.5
279.07953	0.9
279.11276	5.1
280.08850	1.0
281.09189	10.5
281.12811	4.0
282.09961	3.6
283.10764	12.3
283.14038	1.3
284.11484	2.7
285.09607	1.0
285.12335	19.6
286.12878	1.0
287.10281	4.4
287.13864	12.4
291.11166	2.1
292.11853	1.0
293.09219	3.7
293.12451	1.1
294.09915	1.9
295.10727	34.5
296.11362	2.8
297.09085	1.1
297.12268	18.8
298.12894	1.9
299.10254	2.6
299.13879	5.8
300.10965	1.9
301.11816	5.8
301.14948	1.0
302.12933	1.1
303.04947	2.8
303.13385	14.8
305.14951	5.8
307.10754	3.9
309.12360	2.7
311.10184	3.8
313.11792	44.0
314.12332	2.8
315.13345	13.1
317.15012	1.3
321.08588	2.2
323.10205	14.7
323.13843	1.6
324.11319	1.5
325.11844	12.0
327.13187	4.7
329.11148	1.5
330.12280	1.3
335.10367	1.7
335.13828	1.0
337.11765	2.5
339.09634	2.0
339.13477	1.5
341.11227	17.1
341.15018	1.5
342.12210	2.8
343.12903	12.1
349.11566	1.4
353.11270	1.6
355.12802	12.7
356.13535	1.3
357.14441	10.8
358.15396	2.2
359.12253	1.2
367.12958	1.1
369.14511	1.9
371.12256	3.2
372.13138	2.3
373.13898	27.0
375.15323	1.7
383.12372	2.6
385.13620	4.6
386.15009	2.4
387.15524	1.2
388.15900	1.1
393.14484	1.6
397.13898	1.9
398.14795	1.0
404.16455	1.5
405.14594	1.6
406.17752	1.7
409.13773	1.3
411.15485	2.6
414.14270	4.6
415.15073	12.3
416.15875	1.6
418.17715	1.3
420.15805	1.3
421.13974	3.8
423.15417	4.9
427.14975	1.6
429.16388	3.7
430.17477	2.0
432.15369	4.5
439.14957	12.7
441.16547	4.8
444.15414	1.5
445.15894	1.9
446.17056	2.0
449.13431	6.5
451.14917	3.4
453.16785	1.4
455.14450	1.4
456.15311	2.7
457.15973	20.9
459.17358	2.5
462.16602	2.5
467.14395	16.8
469.16046	7.7
474.16531	7.7
475.17001	1.4
481.16000	10.0
483.17709	4.6
485.15567	27.4
487.17215	11.1
499.17029	23.3
501.18610	9.1
503.16632	1.5
505.17746	2.9
506.19171	3.7
517.18127	100.0
518.18243	2.8
519.19604	10.1
520.20386	2.1
522.22058	2.7
535.19110	3.3
585.23206	1.2
599.24353	1.2
609.22784	2.4
620.21991	1.4
627.24377	30.8
628.24902	1.2
641.25641	2.1
645.25220	3.0
650.22919	4.2
652.24957	2.1
659.27069	9.5
677.27704	2.1
682.25482	3.1
700.27557	1.1
707.26721	1.5
709.28674	1.9
725.27368	2.0
727.28845	1.8
735.26135	2.9
743.28589	1.5
745.30713	11.5
753.27484	10.8
761.29193	2.6
763.31091	3.5
767.28479	2.8
771.28973	8.7
785.29675	4.4
789.29688	42.2
790.29956	2.1
803.31079	8.2
807.30225	4.6
821.32397	12.2
826.51910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.2
67.05497	73.7
69.03432	18.9
69.07063	44.8
71.04982	18.5
71.63918	3.6
73.02910	4.1
74.04188	2.4
78.60836	2.3
79.05487	63.7
81.03388	16.4
81.07049	78.3
81.07513	5.2
83.04969	9.8
83.08621	9.5
85.02901	10.9
85.06514	3.1
91.05469	48.0
93.07035	68.6
95.04964	16.7
95.08599	58.6
97.02882	10.8
97.06523	79.8
97.10130	4.7
97.25070	2.6
99.04428	3.8
99.08073	4.5
104.45589	3.1
105.07027	39.2
107.04967	10.3
107.08582	36.8
109.02876	8.1
109.06496	19.2
109.10152	18.0
111.08073	8.8
113.06020	2.6
115.07561	24.3
117.07010	17.8
119.08580	24.9
121.06509	5.6
121.10146	27.8
123.08060	5.5
123.11691	5.4
125.09618	3.2
127.03902	8.5
129.06985	9.2
130.83646	2.5
131.08556	24.1
133.06462	3.3
133.10112	20.1
135.08058	10.4
135.11690	13.6
137.09579	4.7
143.08582	6.5
145.10133	14.3
147.08032	4.0
147.11673	13.1
149.09669	6.3
149.13237	11.6
151.11214	4.3
157.10110	8.3
159.11684	12.5
161.09621	6.0
161.13235	3.5
163.11282	4.7
164.88211	2.4
169.10114	3.1
171.11710	7.3
173.04454	5.4
173.13200	6.4
175.11221	5.9
177.12743	4.2
183.11621	2.6
184.07277	2.8
185.13264	4.9
201.07655	4.1
217.15894	9.8
237.16350	3.1
243.21230	3.0
245.18944	4.2
259.20584	2.7
261.22177	8.1
269.17438	11.8
273.18393	24.6
291.19644	13.2
313.81189	2.9
335.25793	100.0
347.22137	10.5
365.23007	13.3
367.25052	2.9
420.64447	2.9
529.38940	28.1
607.42987	7.3
621.00311	2.6
625.44458	21.4
643.45117	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	840.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.3
64.81460	1.2
65.03926	4.8
67.05498	86.0
69.03428	7.2
69.07060	34.9
71.04978	8.1
71.08598	1.6
73.02891	2.5
77.03906	1.9
79.05485	77.5
81.03413	11.8
81.07048	100.0
83.04972	13.4
83.08608	17.6
85.02908	5.9
85.06513	3.9
86.09697	2.1
87.04469	6.1
91.05473	82.5
93.07034	90.0
94.07367	1.5
95.04964	17.4
95.08595	55.7
97.02880	4.6
97.06521	12.2
97.10148	8.8
98.21500	2.4
99.08079	4.0
103.05463	4.7
105.07020	82.2
105.66267	1.1
106.07374	1.9
107.04955	7.6
107.08583	45.7
109.02869	2.4
109.06501	9.2
109.10146	22.7
111.08103	5.3
113.09612	1.8
115.05372	2.5
117.07008	32.9
119.08572	63.9
121.06490	4.4
121.10123	34.2
123.08103	5.4
123.11720	6.8
125.00071	1.4
125.09614	3.7
127.03893	3.1
128.06213	3.9
129.05527	1.4
129.06985	18.7
130.07784	2.3
131.08559	37.8
133.06514	2.4
133.10115	49.2
135.08041	6.7
135.11681	26.3
137.09595	4.2
137.13243	1.4
139.11168	2.3
141.06947	5.3
142.07758	3.3
143.08554	19.1
145.06483	1.7
145.10110	39.5
147.08008	2.7
147.11668	37.4
149.09642	7.6
149.13242	15.2
151.11154	3.2
155.08519	8.9
155.74411	1.2
156.09354	2.0
157.08881	2.2
157.10109	19.9
159.07999	2.1
159.11676	25.6
161.09581	3.4
161.13239	19.0
163.11201	6.8
163.14812	2.8
165.09180	1.2
165.12773	2.4
167.08554	4.4
167.10709	1.5
168.09282	1.2
169.10089	9.9
171.08112	1.7
171.11662	18.9
173.04471	2.7
173.09697	1.7
173.11862	2.0
173.13225	12.4
175.11226	3.0
175.14812	6.7
177.12735	5.1
179.08572	2.0
181.10049	5.3
181.12227	1.8
183.11665	8.9
184.07295	5.9
185.13223	11.7
187.11166	2.9
187.14783	4.4
189.12665	2.0
193.10078	2.8
195.11658	6.4
195.13762	4.8
197.13277	7.0
199.11215	2.0
199.14726	7.8
201.12685	1.9
201.16316	2.5
207.11726	2.7
209.13272	4.3
211.14769	5.3
213.16510	5.4
217.15945	1.9
221.13214	2.2
223.14757	3.7
225.16309	2.7
227.14374	1.6
229.14088	1.8
231.17542	2.4
231.21056	3.7
235.14809	2.2
237.16275	2.0
239.18045	3.0
241.19510	17.1
247.20604	1.5
253.14229	1.6
255.15839	9.4
257.19022	4.6
259.20560	43.6
261.22131	3.6
265.19421	1.3
267.16000	3.1
269.17416	18.9
271.20535	2.4
273.18484	2.4
275.20053	11.9
277.21671	3.8
297.22382	2.6
301.21448	1.9
307.20593	1.5
315.23157	6.1
325.24805	1.8
328.13226	1.3
333.24191	43.3
335.25842	2.6
339.23413	1.3
341.24731	1.2
349.23886	9.8
365.23865	1.3
367.24738	4.6
399.25018	1.5
417.31396	2.8
421.30939	1.9
432.66333	1.5
433.30551	1.9
435.32541	6.3
439.32144	1.9
441.25836	1.5
453.33331	4.3
471.34579	3.6
501.34784	1.5
509.36081	2.8
513.35712	15.1
515.37744	4.6
517.38910	2.9
527.37280	59.4
528.37433	2.6
531.36713	2.2
533.39581	1.5
545.38446	10.8
551.40527	1.7
597.45374	2.1
607.43506	17.4
625.44574	18.1
652.75677	1.4
671.41174	2.5
689.42786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
65.03925	4.7
65.69343	3.8
67.05166	7.1
67.05496	87.5
69.03413	7.9
69.06778	3.8
69.07064	42.6
70.07394	4.0
70.58829	14.7
71.04975	4.2
79.05486	72.9
81.03399	13.7
81.07049	100.0
82.07372	4.6
83.04952	12.4
83.08619	22.7
85.02897	4.9
85.06544	4.4
86.09676	9.1
91.04945	6.4
91.05469	70.5
93.07031	84.4
95.04958	18.9
95.08599	54.5
96.08915	4.5
97.02872	7.4
97.06525	18.1
97.10158	10.4
98.20855	4.6
98.21389	4.9
105.07014	74.8
106.07344	5.9
107.04905	8.0
107.08582	55.2
108.05296	4.4
109.06499	15.0
109.10149	27.7
111.08063	5.8
114.27423	3.8
115.05423	4.4
117.07005	31.8
119.08568	60.1
121.10116	34.3
123.08031	7.2
123.11633	4.4
125.09573	6.4
129.06982	16.2
131.08557	42.9
133.06477	4.4
133.10107	55.0
135.08054	4.8
135.11688	33.0
137.09595	4.9
141.07071	5.1
142.07782	4.3
143.08569	21.1
145.10085	28.9
147.11656	36.0
149.09581	12.9
149.13208	16.4
153.01859	3.6
154.40341	3.7
155.08513	7.9
157.10107	15.3
159.11694	29.2
161.09612	4.0
161.13264	19.0
163.11154	11.2
163.14880	5.3
165.12727	5.0
169.10127	11.8
171.11667	15.5
173.04416	4.4
173.13194	11.9
175.11166	3.7
175.14796	9.3
177.12714	6.9
179.14317	4.5
181.10118	6.8
183.11649	12.5
184.07300	19.3
185.13254	10.4
187.14734	6.3
195.11674	6.5
195.13626	6.7
197.13211	5.5
199.14769	7.6
209.13234	6.0
211.14787	5.0
223.14984	4.5
234.82419	4.6
237.16154	4.7
241.19511	11.7
255.15891	13.9
257.18973	4.3
259.20560	39.4
267.15784	3.9
269.17377	24.8
273.18384	4.7
275.20050	29.0
276.20422	11.9
315.22992	6.9
333.24280	40.7
335.25726	10.8
349.23694	13.2
350.24115	5.7
351.24609	7.2
367.24637	5.0
369.11655	4.0
435.32584	8.5
453.33774	4.2
471.34811	6.7
509.36026	6.5
511.15576	7.0
513.35522	17.8
527.37238	61.1
531.36938	4.7
545.38232	12.0
607.43988	19.7
625.44354	53.7
689.42004	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44912	2.0
61.02909	6.0
63.28958	2.3
65.03922	6.5
66.01449	2.1
67.05499	92.1
67.75879	1.8
69.03403	9.5
69.07058	37.8
69.30423	25.2
71.04961	5.8
73.02896	2.3
79.05484	80.0
81.03399	11.5
81.07046	100.0
83.04991	13.3
83.08607	21.5
85.02899	8.9
85.06525	7.4
86.09694	3.8
91.03944	3.8
91.05467	93.3
93.07036	83.5
93.26559	1.9
95.04963	19.7
95.08596	60.9
97.02872	7.4
97.06517	11.1
97.10153	10.2
98.20645	3.0
99.08069	3.4
103.05449	2.0
105.07015	88.3
107.04935	6.6
107.08576	44.7
109.06518	10.2
109.10155	24.9
111.04411	2.1
111.08049	7.2
113.09525	1.8
115.05422	6.6
117.06999	46.5
119.08565	66.1
121.06528	3.6
121.10139	31.4
123.08054	5.9
123.11674	9.0
125.09598	6.6
127.03868	3.3
128.06218	7.0
129.05511	3.8
129.07001	25.7
131.08549	48.5
133.06464	2.4
133.10112	56.1
135.08047	4.7
135.11681	20.0
137.09631	3.2
141.06956	9.3
142.07735	8.2
143.08556	23.1
145.09026	2.8
145.10103	43.0
147.08035	3.5
147.11673	32.4
149.09590	6.9
149.13248	14.6
153.12845	1.9
154.07851	2.2
155.08531	13.8
157.10107	25.8
159.11676	31.3
161.09610	4.7
161.13243	15.4
163.11172	5.8
163.14745	2.9
165.07065	2.1
167.08545	5.0
169.10136	16.7
171.11685	24.5
173.04388	2.2
173.09561	3.2
173.11752	3.6
173.13191	21.0
175.11122	2.3
175.14822	7.3
177.12727	3.1
179.08556	4.0
179.14291	3.0
180.09270	2.5
181.10097	9.1
183.11670	17.0
184.07306	12.0
185.13222	14.2
187.14818	9.4
189.12756	3.6
189.16318	2.9
193.10028	4.3
193.76414	2.4
195.11642	9.1
195.13567	3.0
197.13280	14.1
199.14838	10.0
201.16396	3.7
207.11780	3.3
209.13260	8.3
211.14781	6.7
213.16315	6.4
215.18010	3.5
221.13193	3.5
223.14748	5.4
225.16374	6.0
227.12703	2.8
227.18044	2.5
229.14284	4.4
229.19569	3.4
231.17345	3.5
231.37929	2.1
235.14847	2.9
237.16336	3.6
239.14185	2.3
239.17982	4.4
241.19487	9.0
257.18930	7.2
259.20630	22.3
267.15793	3.1
269.17474	9.0
271.20703	2.6
275.20041	9.9
283.20456	3.4
291.19458	3.2
293.21014	3.6
297.21799	3.0
311.23468	2.3
315.23224	3.6
327.22900	2.4
331.22733	3.1
333.24231	23.0
335.25687	6.5
349.24109	6.4
365.23221	3.9
383.24088	2.5
414.77063	2.4
435.32474	2.4
453.33649	3.9
471.35001	2.4
513.35596	4.4
517.40216	4.1
527.37238	23.1
533.39398	3.1
539.37732	3.6
545.37842	4.5
591.43719	4.5
607.43188	6.9
609.45099	44.1
625.44794	15.4
643.44830	3.5
666.85010	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	840.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.9
60.08138	2.4
65.03934	2.9
67.05495	54.6
67.45331	1.6
69.03414	5.8
69.07060	22.6
70.23464	7.5
71.04968	5.1
79.05486	53.3
81.03399	4.7
81.07050	51.7
83.04964	6.6
83.08619	20.9
85.02908	2.4
85.06511	3.2
86.09691	13.5
91.04896	2.3
91.05469	51.1
93.07037	53.7
93.96764	1.6
95.04948	9.0
95.08035	3.0
95.08592	33.6
97.02896	2.8
97.06530	10.6
97.10162	29.7
98.21187	4.6
99.08028	2.0
105.07023	60.4
107.04953	5.4
107.08585	52.3
109.06501	5.3
109.10136	15.9
111.08065	4.0
115.05450	2.1
117.07003	23.6
119.08566	47.9
121.10130	18.8
123.08083	3.0
123.11689	10.5
124.99970	8.3
125.09609	24.5
125.97268	1.5
128.06149	3.2
129.06989	17.8
130.07756	2.1
131.08568	32.7
133.10112	30.7
135.08060	4.7
135.11697	13.9
141.06981	4.5
142.07785	3.2
143.08546	17.0
145.10112	30.1
147.11681	19.3
149.09628	7.9
149.13226	6.6
153.09010	2.1
155.08534	9.8
156.09319	2.7
157.10121	16.4
159.07988	2.2
159.11693	20.0
161.09560	2.3
161.13249	10.6
163.11147	5.4
163.14799	3.9
167.08461	3.5
168.09283	1.8
169.10104	10.8
170.10870	1.9
171.10254	3.3
171.11667	14.6
173.13274	10.4
175.14799	6.3
181.10127	4.5
183.11722	13.2
184.05722	3.3
184.07329	39.4
185.13234	11.6
187.13219	5.4
187.14777	5.3
189.11201	11.3
189.12659	1.9
189.16348	2.2
193.10144	1.9
195.11617	5.4
196.12366	1.8
197.13214	8.4
199.14767	6.1
201.16304	2.5
205.10196	2.0
209.13208	6.7
209.80382	1.6
211.14766	6.4
213.16374	5.8
215.17969	2.4
221.13168	3.6
223.14790	2.1
225.16336	6.9
227.12701	13.8
227.17973	2.9
229.11076	2.3
237.16316	2.8
239.17990	5.0
241.19533	6.7
243.15880	6.8
245.13712	2.5
251.17938	2.4
253.19551	1.9
257.19147	8.2
259.20529	24.1
275.20102	18.0
281.72546	2.0
283.20355	1.7
293.21375	2.2
315.23236	3.5
331.22610	2.1
333.24231	22.5
339.27850	1.8
349.23660	17.7
351.25357	2.5
365.28345	11.4
381.31540	2.0
383.29309	3.1
421.30893	4.0
439.32132	5.4
452.69049	1.9
503.33350	5.3
511.15820	4.9
513.35815	18.8
515.38806	7.9
533.40002	8.3
537.35040	2.2
543.37231	1.9
551.40601	3.0
585.19482	1.8
589.42389	4.8
607.43488	60.5
608.43921	5.9
625.44568	100.0
626.44574	5.2
841.45435	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64075	2.6
61.02902	4.3
65.03937	7.5
67.05158	6.0
67.05500	91.9
69.03426	10.3
69.07058	38.7
69.29890	28.1
69.30312	7.0
70.06609	3.1
71.04984	6.5
79.05047	6.5
79.05486	84.9
81.03405	7.0
81.07051	100.0
83.04974	7.7
83.08620	22.0
85.02892	6.1
85.06541	5.2
86.09698	11.6
91.05476	93.9
93.07041	91.5
95.04964	24.1
95.08591	56.8
97.02863	5.8
97.06518	16.7
97.10171	7.5
98.21470	7.8
99.04474	3.4
99.08086	3.9
105.07024	97.5
107.04971	7.0
107.08590	59.4
109.06535	9.5
109.10140	29.6
111.08062	9.0
115.05424	4.0
117.06996	35.1
119.08578	73.5
121.06511	5.7
121.10133	40.4
123.08046	7.5
123.11674	8.6
124.99921	5.1
125.09616	8.8
127.03928	6.6
128.06186	6.0
129.07028	26.2
130.07805	4.4
131.08563	44.5
133.06482	4.5
133.10130	54.9
135.08032	7.5
135.11673	28.1
137.09544	3.5
141.06961	7.3
143.08548	21.2
145.10123	37.6
146.10425	3.9
147.08058	3.0
147.11664	45.2
149.09631	14.6
149.13245	15.5
151.11156	5.1
155.08543	11.1
157.10115	24.3
159.11685	31.2
161.09630	4.2
161.13223	20.6
163.11205	8.4
163.14772	5.2
165.12627	3.9
169.10150	15.2
171.11655	22.0
173.09505	3.8
173.13251	17.3
175.11171	3.2
175.14774	7.6
177.12761	3.6
181.10133	7.7
183.11659	11.3
184.07309	30.0
185.13196	17.5
187.11160	3.9
187.14836	6.3
195.11668	9.7
195.13728	3.6
197.13260	9.9
199.14795	6.7
201.16306	6.0
209.13240	5.1
211.14815	5.1
213.16524	3.5
215.17860	3.3
223.13167	5.4
225.16306	3.9
227.12685	5.4
227.17911	3.9
229.14177	3.7
237.16370	3.7
239.17953	3.7
241.19534	12.6
243.21075	3.9
253.14320	4.9
255.15898	9.2
257.18985	11.2
259.20557	49.4
267.15759	4.0
269.17419	15.7
273.18607	4.4
275.20078	32.6
276.20462	3.5
277.21368	3.6
281.99637	3.2
291.19485	4.2
293.21109	10.5
311.23608	3.5
315.23273	9.7
323.23648	3.5
333.24258	62.9
335.25839	6.8
349.23862	23.0
365.28394	3.2
367.24899	7.5
435.32419	6.6
453.33807	3.8
499.33920	4.8
504.24225	3.4
511.15967	6.2
513.35815	26.3
515.38605	8.5
527.37299	32.6
531.36853	5.4
545.37878	5.8
551.40631	4.8
567.39435	3.7
607.43384	37.4
625.44458	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.5
62.22303	1.0
65.03938	5.4
65.34144	1.1
67.05499	93.3
69.03432	11.3
69.07063	45.4
70.07387	1.2
71.01343	1.2
71.04982	7.2
71.08624	1.9
73.02884	2.3
77.03912	2.3
77.06173	1.2
79.05486	85.1
81.03410	14.5
81.07050	100.0
83.04982	13.8
83.08601	20.9
84.68177	1.3
85.02898	7.3
85.06531	5.1
86.09708	1.9
91.03934	2.6
91.04872	1.8
91.05473	89.1
93.07039	98.1
94.07378	1.2
95.04955	20.4
95.08600	64.3
97.02864	5.6
97.06526	13.3
97.10172	8.0
98.20914	6.6
98.21608	2.1
99.08083	5.7
103.05474	2.1
104.98393	1.0
105.04511	1.4
105.07023	83.7
106.07338	2.0
107.04931	9.1
107.08585	56.7
108.08905	1.3
109.02876	2.7
109.06529	9.3
109.10145	23.7
110.55550	1.0
111.08072	7.6
111.11678	1.4
113.09616	1.9
115.05443	3.8
116.06206	1.3
117.07010	34.8
117.07832	2.1
119.08569	59.0
121.06489	5.5
121.09294	2.4
121.10136	34.8
123.08074	5.7
123.11698	6.6
125.09615	5.3
127.03887	2.3
128.06216	5.9
129.05496	2.0
129.06992	21.0
130.07758	3.2
131.08559	43.3
133.06477	3.5
133.10117	58.5
134.10413	1.4
135.08038	5.1
135.11679	29.3
137.09589	4.3
137.13321	1.1
139.11220	1.6
141.06960	7.4
142.07759	4.9
143.08543	27.4
144.09363	1.3
145.04919	1.7
145.06491	2.6
145.10110	45.2
146.10416	1.1
146.49718	1.1
147.08066	3.1
147.11678	38.1
149.09605	11.3
149.13242	16.5
151.11179	3.3
153.06914	1.5
154.07745	1.6
155.08533	11.6
156.09215	1.4
157.10112	24.0
159.08083	2.6
159.11682	30.0
161.09608	3.0
161.13232	21.1
163.11159	9.0
163.14827	3.3
165.12761	3.3
167.08577	3.3
168.09325	1.7
169.10110	14.2
170.10852	1.2
171.08018	1.4
171.11646	19.5
173.04446	3.7
173.09625	2.0
173.13258	16.4
175.11162	4.8
175.14795	8.2
177.12749	4.3
177.16429	1.1
179.08556	1.7
179.14256	1.3
181.08710	1.3
181.10120	6.7
181.12218	1.3
182.10950	1.9
183.10167	1.9
183.11662	15.3
184.07358	4.7
184.12392	1.6
184.50056	1.0
185.09662	1.8
185.13272	14.3
187.14847	6.3
189.11205	2.2
189.12756	1.8
189.16377	1.5
191.14278	1.7
193.10162	2.3
193.12251	1.9
195.11688	5.2
195.13770	3.9
197.13219	9.7
199.14803	8.3
201.12640	1.4
201.16388	3.6
203.18028	1.3
207.11661	2.5
209.13264	6.9
211.14850	6.3
213.12805	1.2
213.16402	4.3
215.17973	2.6
219.11661	1.4
221.13295	2.8
223.14804	4.5
225.16344	3.1
227.12686	2.8
227.18057	2.7
229.19485	1.9
231.17461	1.9
231.21039	4.0
233.13364	1.3
235.14952	2.7
237.16287	2.6
239.17905	3.6
240.39175	1.1
241.19511	16.7
247.14848	1.8
247.20457	2.3
253.14339	1.9
253.19591	1.6
255.15791	14.4
257.18945	8.0
259.20538	40.0
260.20947	1.5
261.18661	1.4
261.22131	3.5
267.15854	4.3
269.17383	18.6
271.20621	2.1
273.18518	2.5
275.20068	17.9
276.20682	1.5
277.21729	2.2
283.20569	2.3
289.21677	1.9
291.19644	1.2
297.22177	2.0
301.21527	2.5
309.22049	1.4
313.21567	1.7
315.23080	5.1
323.23676	1.9
331.22522	2.0
333.24225	43.3
334.24405	1.7
335.25974	2.9
349.23807	13.4
350.23795	1.2
367.24875	5.0
385.24057	1.7
395.29279	1.6
409.63922	1.3
417.31329	1.7
421.30884	1.9
424.27121	1.2
433.30417	1.8
435.32736	7.7
439.31998	1.2
453.33542	3.6
471.34518	3.8
485.33057	1.6
489.35693	1.5
495.34470	2.7
497.36639	1.4
501.35559	1.6
509.36481	3.1
513.35730	25.0
515.37933	5.4
516.38855	2.0
517.38861	1.6
525.35547	4.1
527.37286	48.3
528.37506	2.6
531.36462	3.5
533.39734	4.6
537.35498	1.4
539.37122	1.9
543.36737	1.5
545.38727	5.6
551.40997	2.0
589.42206	1.5
597.45050	2.7
607.43512	30.1
608.43726	3.7
625.44629	27.9
626.45050	2.1
653.40576	2.4
666.14642	1.3
671.41284	1.5
676.70361	1.3
689.42242	2.6
733.46942	1.9
755.47388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23438	0.6
61.02910	0.7
65.03925	1.0
67.05509	0.6
69.03422	5.1
69.30966	7.6
70.06565	1.4
73.00871	0.6
73.02901	1.2
77.03928	0.7
79.05466	3.2
80.05003	1.1
81.03389	2.3
81.05769	1.2
82.06563	1.2
85.02889	9.1
87.04441	1.0
91.05475	1.8
93.05750	1.2
93.07033	3.4
94.06551	10.9
95.04963	1.0
95.07355	3.7
95.08595	0.8
96.08113	10.6
97.02898	3.7
97.06532	1.2
97.91296	0.6
105.07006	0.7
106.06531	7.3
107.07279	2.1
108.04472	1.3
108.07415	1.2
108.08109	18.4
109.02847	1.9
110.05987	1.5
110.09664	17.3
118.06488	1.3
120.04470	3.8
120.08089	18.1
121.06496	0.8
122.06020	17.1
122.09655	4.3
123.06807	0.7
124.07574	12.7
130.06477	0.8
132.08087	1.1
134.06000	2.7
134.09628	2.5
136.07556	23.5
137.08337	0.8
138.05486	1.6
138.09114	32.7
140.07019	1.1
144.04445	3.3
144.08057	1.1
146.05984	26.1
146.09604	2.3
148.07552	17.9
150.05457	1.4
150.09117	16.1
152.07040	20.8
158.05978	1.9
160.03906	1.9
160.07539	2.3
162.05475	3.1
162.09108	1.3
164.05806	1.2
164.07047	12.2
166.08612	80.8
167.08955	1.2
168.06505	0.8
169.63492	0.7
172.03905	27.0
172.12564	0.7
174.05495	2.5
174.09131	1.2
176.07033	2.8
178.08601	0.8
182.08173	5.2
182.09619	1.2
183.09120	1.2
190.04958	21.7
192.10112	1.4
194.08246	0.9
197.10680	2.5
198.11446	3.5
199.12260	1.8
200.07025	0.7
204.06528	33.8
205.06960	1.1
205.29848	0.7
208.09804	1.0
209.10669	3.2
210.09607	1.0
210.11412	3.8
211.12268	8.2
212.13052	1.5
213.10277	1.4
215.11520	0.7
218.08131	3.7
220.09824	1.6
221.10756	1.1
222.11450	0.9
223.12279	6.5
224.09380	1.3
224.13025	2.0
225.10271	4.1
225.13785	2.8
226.10893	4.3
227.11737	6.6
235.08617	2.8
235.12262	2.3
236.09181	3.2
236.13054	0.7
237.10213	7.7
237.13857	2.6
238.10907	6.4
239.11754	15.1
240.12450	1.6
241.09642	1.2
241.13441	3.2
243.11322	1.4
244.05995	0.7
245.12787	1.9
246.07578	2.0
248.09428	2.5
249.10170	13.2
250.10921	8.9
251.08102	1.4
251.11766	20.9
252.08881	1.2
252.12483	5.4
253.09694	2.8
253.13327	9.7
255.11249	4.2
255.14578	0.7
256.11951	1.4
257.12793	4.1
259.11154	0.6
259.14389	1.8
262.06995	1.0
262.10968	1.6
263.11758	33.4
264.08798	4.5
264.12506	9.0
265.09702	6.3
265.13306	18.1
266.10468	4.2
266.13724	1.7
267.11246	13.0
268.11942	1.6
269.12808	6.5
271.10843	1.4
271.14359	8.6
273.12292	5.6
275.11673	2.1
276.08740	2.6
277.09705	3.6
277.12759	0.9
278.10446	6.2
279.11246	29.0
280.12054	4.4
281.09525	0.7
281.12787	19.5
282.09915	2.6
282.12915	1.7
283.10757	5.2
283.14114	1.3
284.11481	4.5
285.12271	17.3
285.15500	0.8
287.10825	0.6
287.13751	3.6
290.10324	0.9
291.11234	35.8
292.11899	7.9
293.09586	1.3
293.12769	31.4
294.09872	0.9
294.13199	1.1
295.10751	8.0
295.13998	1.1
296.11472	4.7
297.12286	46.9
298.13007	4.8
299.13852	27.2
300.14200	1.0
301.15363	0.9
303.04987	0.8
303.13513	1.1
304.08255	1.4
305.14990	1.5
307.10815	4.8
308.11328	0.7
309.12262	24.4
310.12842	2.4
311.10251	5.0
311.13849	21.2
313.11829	2.6
313.15414	1.9
315.13358	16.6
316.14145	1.1
319.10715	22.3
320.11130	0.9
321.12195	6.5
323.10318	8.0
323.13464	1.0
323.16318	1.7
325.11801	32.4
326.12338	1.2
327.13321	6.1
328.14285	1.0
337.11765	100.0
338.12195	3.0
339.13336	5.7
341.11346	3.1
342.12033	1.1
343.12888	5.8
351.13397	2.0
355.12842	5.4
356.13727	1.4
357.14432	16.0
358.15234	1.5
369.14395	7.2
370.15073	1.1
371.15973	3.9
372.16931	1.2
373.13785	6.6
374.14545	0.9
376.20349	1.3
384.17010	1.0
388.16397	1.0
390.17947	1.4
398.14532	1.4
399.15527	1.4
401.13321	8.9
402.18164	1.4
404.19681	2.7
412.16183	1.2
414.18491	1.3
416.15921	1.9
418.21332	2.4
420.19073	1.0
422.20911	1.5
428.20093	0.9
430.17358	3.9
432.19223	2.3
434.21097	1.0
440.15976	1.8
444.18915	4.8
446.21722	4.0
448.18509	2.7
448.23404	1.3
449.19290	2.9
450.20309	5.3
458.17065	3.3
459.17505	1.2
461.19199	0.7
462.20413	5.2
464.21906	28.7
469.15103	0.8
472.18546	4.1
474.20132	1.8
476.18033	4.5
477.18362	2.0
478.19690	0.8
482.19168	2.8
487.17053	6.0
490.19678	48.4
491.19852	1.8
492.21277	1.0
494.19214	2.7
503.16159	0.7
504.21298	1.2
505.17670	0.9
506.23010	1.2
508.20654	6.0
514.21655	2.2
519.19318	0.8
521.21039	0.8
522.22229	23.0
523.22681	1.2
524.22949	1.7
526.21777	2.1
569.23486	0.9
587.24908	1.7
593.23334	0.9
603.28430	3.3
608.25616	0.8
611.24805	11.2
619.27130	1.4
626.26959	33.2
627.26904	0.8
629.25916	15.3
634.23718	3.0
643.27271	2.6
647.27069	42.1
648.27124	2.1
652.24927	66.1
653.25653	3.4
654.26019	0.7
669.18604	0.8
670.25647	2.0
679.29480	12.7
684.27466	29.8
685.28369	3.4
686.27979	1.1
696.91016	0.9
773.29382	1.9
791.30878	3.8
809.32312	15.8
841.35101	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	841.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.6
69.03419	4.0
69.33113	6.1
69.33545	5.9
70.06570	1.5
79.05477	2.3
81.03408	4.0
82.06543	2.0
85.02892	7.0
93.07044	4.8
93.47878	1.1
94.06548	11.2
95.04912	1.6
95.07354	2.9
96.08118	12.9
97.02888	2.8
98.20766	2.1
106.06555	3.8
107.07343	3.5
108.04471	1.8
108.08105	18.1
109.02834	1.6
110.06059	3.1
110.08987	1.4
110.09685	16.8
116.04967	2.5
120.04459	4.2
120.08091	14.8
122.06037	16.2
122.09657	3.3
124.07571	11.1
132.08049	1.8
134.05997	2.9
134.09590	2.1
136.07570	26.3
138.05493	1.8
138.09119	33.8
144.04460	2.1
146.06000	25.8
146.09694	1.9
148.07552	20.6
150.09119	18.1
152.07072	16.5
160.07576	3.0
162.05524	2.0
162.09149	1.5
164.07065	12.6
166.08626	77.4
172.03928	21.7
174.05540	1.8
176.07085	3.3
180.10158	1.9
182.08124	3.5
187.78972	1.2
190.04970	20.7
190.82570	1.3
192.06567	1.5
194.08122	1.3
198.11534	3.3
199.12283	1.5
204.06531	35.0
209.10716	3.1
210.11475	4.5
211.12386	5.8
211.14093	1.3
212.13046	2.0
213.10245	1.9
218.08105	3.9
221.10858	1.7
223.12291	5.8
224.12968	2.3
225.10214	4.6
225.13727	1.7
226.11058	3.6
227.11784	6.0
235.08745	1.9
235.12250	2.8
236.09448	4.1
237.10193	7.6
237.13831	2.9
238.10995	5.7
239.11803	14.8
240.12482	2.3
241.13261	2.9
246.07716	3.3
249.10214	12.9
250.10973	9.5
251.11772	19.2
252.12549	4.2
253.09691	2.7
253.13251	10.3
255.11313	4.7
257.12836	2.4
259.14420	2.6
263.11777	30.0
264.08875	5.5
264.12399	6.8
265.09811	5.6
265.13358	20.4
266.10477	3.5
267.11240	11.0
269.12830	6.7
271.10812	2.3
271.14343	6.3
273.12317	6.6
276.08566	1.7
277.09821	3.9
278.10501	5.4
279.11234	31.0
280.12073	2.8
281.12839	17.1
282.10040	3.9
283.10709	5.8
284.11575	2.5
285.12283	17.7
287.13882	4.2
291.11255	30.9
292.12024	8.0
293.09500	1.6
293.12808	30.7
295.10803	7.2
295.14008	2.0
296.11542	3.6
297.12308	47.2
298.12863	6.1
299.13870	25.6
300.14404	1.8
307.10745	4.0
309.12280	24.7
309.15686	2.1
311.10165	5.0
311.13885	19.6
312.14273	2.0
313.11945	2.9
313.15390	2.3
315.13361	19.3
319.10733	21.7
321.12375	6.9
323.10388	7.2
323.16055	3.6
325.11801	33.5
326.12476	1.3
327.13205	7.4
328.14282	2.0
330.15961	1.4
337.11783	100.0
338.12292	2.8
339.13300	6.9
341.11353	3.2
343.12817	4.6
351.13251	2.9
355.12827	3.0
357.14432	17.3
358.15417	2.2
369.14600	8.3
370.15237	2.7
371.15939	5.1
372.16971	1.4
373.13815	3.9
398.14761	1.8
399.15585	3.8
401.13495	13.2
402.18127	1.7
404.19861	2.5
416.15817	2.6
418.21274	2.1
420.19122	1.5
422.21161	1.7
430.17770	2.2
432.18826	4.2
433.15787	1.9
444.19153	2.6
446.20651	4.7
448.22565	2.6
449.19266	3.4
450.20328	5.9
458.17081	3.3
462.20200	7.4
464.21957	36.5
472.18549	6.8
474.20337	3.0
476.18372	3.5
477.18619	2.3
482.19092	3.7
487.17181	6.2
490.19699	55.0
491.19733	2.5
494.19287	2.3
508.20798	8.8
514.21844	2.2
522.22357	30.9
523.22662	2.3
526.22107	2.5
583.25049	1.7
587.24634	3.0
603.27881	4.7
611.25031	14.1
626.27039	44.3
627.27411	1.4
629.26093	15.8
634.23706	3.7
643.27362	3.3
647.27069	58.2
648.27533	2.0
652.25000	82.5
653.25446	4.0
661.27722	2.7
670.26361	1.7
679.29285	15.9
684.27496	37.2
685.28192	2.0
773.30212	1.8
791.30847	4.6
809.32202	18.3
827.53204	1.4
841.34955	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	842.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	2.3
60.08140	1.9
61.02910	1.7
62.18911	0.8
65.03924	3.3
67.05499	100.0
68.05798	1.1
69.03412	3.7
69.06711	1.2
69.07063	20.2
71.04971	4.4
71.07359	1.3
71.08619	1.4
71.63731	0.8
73.02908	1.1
79.05486	46.7
81.03434	4.3
81.07050	69.1
83.04967	3.1
83.08614	14.2
85.02894	2.1
85.06532	4.3
86.09699	9.9
91.05470	32.7
92.05788	0.9
93.07032	53.9
95.04959	9.2
95.08596	44.0
95.09230	1.5
97.02855	1.2
97.06528	7.2
97.10162	8.6
99.08080	2.5
103.05447	1.0
104.10728	1.2
105.07020	25.5
107.04921	2.9
107.08583	35.5
109.06487	4.8
109.10146	62.5
111.08040	4.4
117.07000	9.0
119.07767	1.8
119.08567	22.3
121.06482	1.7
121.10132	22.5
123.08050	2.2
123.11716	7.5
125.00006	6.6
125.09648	7.7
129.06960	2.9
131.08548	15.5
133.10117	18.7
135.08046	4.0
135.11681	15.5
137.09579	4.5
137.13264	1.1
139.11169	1.7
143.08519	2.1
145.10107	12.7
147.11668	11.2
149.09612	5.8
149.13245	10.8
151.11137	1.3
155.08519	1.9
155.10645	2.6
157.10097	2.1
159.11688	10.5
161.13200	6.3
163.11159	3.2
163.14783	3.5
165.12799	2.0
169.10080	2.1
171.11627	3.0
173.11723	12.1
173.13251	6.9
175.14798	2.3
177.12750	2.1
177.16396	1.3
179.14267	1.1
184.07336	32.0
185.13208	1.9
187.14822	4.1
189.11211	3.6
191.14293	1.2
195.13828	1.6
197.13300	1.3
199.14867	1.5
201.16273	1.3
227.12766	11.8
229.14337	53.8
230.14595	0.9
230.28583	1.0
239.17912	1.6
243.21094	5.7
255.87856	0.9
257.19043	4.8
259.20615	2.7
261.22089	17.7
269.17477	12.3
275.20041	20.9
277.21487	1.1
293.21088	2.9
299.23672	1.2
311.91449	1.0
317.24594	2.8
331.22580	1.1
333.24280	2.0
335.25769	84.2
336.26022	2.0
349.23700	17.5
367.24796	14.7
397.30823	1.2
415.32074	1.7
471.34500	1.4
489.35754	38.8
505.35455	1.0
507.36734	6.8
529.38837	29.2
547.39917	1.1
569.41632	2.3
609.45087	28.8
610.45184	1.5
618.71808	1.0
627.46100	20.0
630.95013	1.2
842.47479	1.2
843.49469	4.3
843.64941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.7
67.05498	4.3
69.03412	3.0
69.07067	3.4
71.04977	0.8
71.61436	0.6
71.61853	1.0
73.02917	3.3
79.05479	4.4
81.03419	2.2
81.07050	6.3
82.44914	0.6
83.04974	0.7
83.08636	0.8
85.02894	3.2
85.32437	0.5
86.09689	2.7
88.78284	0.6
91.03939	1.9
91.05466	3.9
93.07023	5.0
95.04967	1.4
95.08588	3.9
97.02876	3.9
97.06524	0.8
101.02375	1.0
105.07005	4.6
107.04917	1.2
107.08600	2.5
109.10164	1.7
115.21876	0.6
117.06988	1.3
119.08561	3.3
121.10167	1.0
125.00026	1.4
125.18531	0.6
127.03973	1.3
128.85284	0.6
129.07022	0.7
131.08582	2.3
133.10126	3.3
135.11745	1.1
145.10106	0.8
147.11687	1.1
149.09636	1.1
159.11662	1.3
179.14294	1.2
184.07338	7.7
185.04141	0.7
203.05171	0.7
224.76334	0.6
243.08372	3.9
269.17694	0.7
277.42834	0.6
315.19244	3.7
333.20563	1.4
358.22253	0.6
371.22189	1.5
389.22925	0.7
434.16217	0.7
439.19452	1.4
453.20895	1.0
469.20276	0.7
474.30887	0.7
533.27118	7.4
534.67456	0.6
535.28998	0.8
549.26794	2.0
551.28271	4.4
769.44238	0.7
843.48462	100.0
844.49170	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	845.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15595	0.5
60.08162	0.7
61.02920	5.7
67.05501	5.8
69.03424	3.2
69.07071	1.4
70.83920	1.2
71.01378	0.5
71.04974	0.8
73.02907	3.6
74.03273	0.4
74.50404	0.5
77.72662	0.5
79.05494	4.1
81.03425	1.6
81.07043	6.2
83.05020	0.5
83.08616	0.5
85.02898	4.9
86.09695	2.4
91.03938	3.2
91.05476	2.8
93.07034	4.5
95.04967	1.2
95.08607	3.0
97.02885	4.9
97.06547	2.0
97.10182	0.5
99.04487	0.8
101.02385	1.5
105.07041	1.0
107.08585	3.4
109.10190	1.8
117.07068	0.6
117.21356	0.5
117.29808	0.6
119.08604	1.4
121.10136	2.2
123.08038	0.8
123.11708	0.7
125.00030	1.4
127.03921	1.3
131.08591	1.0
133.10115	1.2
135.11713	1.7
138.89189	0.5
139.50661	0.5
144.32497	0.5
145.10168	0.5
159.11742	0.7
178.36229	0.5
184.07336	8.6
185.04156	0.5
185.07759	0.7
204.92033	0.5
208.83226	0.5
221.11293	0.6
243.08557	2.0
266.53891	0.6
335.25989	0.5
349.19821	9.9
349.23788	0.8
439.19284	0.7
453.21588	0.6
519.29095	5.6
567.27423	3.0
845.50067	100.0
846.50568	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	845.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.0
65.03937	0.6
67.05493	4.5
69.03422	2.9
69.07063	2.3
70.15540	0.8
71.01351	0.5
71.04979	0.6
73.02907	3.0
75.74788	0.2
79.05484	3.6
81.03412	1.7
81.06574	0.3
81.07048	4.7
83.04977	0.7
83.08604	0.8
85.02895	4.1
85.03410	0.2
85.06519	0.5
86.09695	0.4
87.04474	0.3
91.03944	2.6
91.05467	4.3
93.07031	5.4
95.04982	1.4
95.08594	2.9
97.02885	4.0
97.06517	0.5
97.10197	0.4
99.00776	0.3
99.04463	1.0
101.02360	1.6
103.03953	0.3
105.07004	3.3
105.07655	0.3
107.04953	0.5
107.08588	2.5
109.02863	0.8
109.06529	0.5
109.10107	1.2
111.08114	0.2
115.03947	0.6
117.06995	1.1
119.08567	2.3
121.06495	0.3
121.10136	1.5
123.08022	0.2
127.03935	1.0
129.05527	0.6
129.07021	0.6
131.08560	1.2
133.10130	1.7
135.11647	1.6
143.08580	0.4
145.05013	0.3
145.10138	0.8
147.11646	1.3
149.13286	0.3
149.28885	0.2
157.10129	0.5
159.11679	0.6
161.13310	0.5
163.11205	0.3
163.14790	0.2
167.99348	0.2
171.11713	0.5
173.13278	0.3
184.07378	1.0
185.04185	1.1
203.05345	0.6
205.11888	0.3
243.08389	4.2
259.08093	0.4
259.20782	0.4
301.08902	1.7
303.19293	0.3
315.10565	0.9
317.20886	0.4
333.20328	3.5
341.12225	0.2
355.13742	0.3
357.15189	0.4
373.11081	0.7
373.23694	0.6
385.18576	0.4
389.23264	0.7
397.18222	0.3
429.17032	0.4
431.24252	0.5
439.19128	1.4
453.20865	1.1
465.20981	1.0
469.20673	0.7
471.19363	0.2
481.20596	0.3
504.95322	0.3
535.28735	7.2
535.36572	0.5
541.22943	0.5
551.28229	9.1
623.30237	1.6
637.32697	0.3
651.33771	0.3
707.39764	0.5
747.42993	0.5
845.50055	100.0
846.50250	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	846.447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.3
61.02909	1.3
63.83896	0.2
65.03926	0.9
67.05499	17.1
69.03424	0.7
69.07066	3.7
71.04993	1.1
73.02905	0.4
73.06554	0.7
77.03877	0.3
79.05485	28.0
80.05840	0.3
81.03416	3.4
81.07049	15.4
82.07405	0.2
83.04973	4.8
83.05444	0.4
83.08607	2.8
85.02892	1.9
85.06519	1.0
91.03950	1.1
91.05470	20.7
92.05797	0.2
93.07034	29.8
94.07344	0.3
94.55342	0.2
95.04959	9.5
95.08595	9.7
97.02853	1.2
97.06533	1.9
97.10149	1.4
99.04465	0.2
99.08076	0.6
103.05460	0.4
105.04524	0.5
105.07018	17.0
106.07353	0.2
107.04946	2.3
107.08585	7.4
109.06504	2.8
109.10136	1.6
111.08085	0.7
115.05467	0.5
117.06994	3.3
119.08569	10.2
121.06525	1.3
121.10129	2.1
123.08067	2.4
125.06008	0.2
125.09648	0.2
127.03894	0.4
127.07561	0.5
128.06216	1.2
129.06992	7.9
131.08556	1.4
133.06454	0.4
133.10117	4.5
135.08060	0.4
135.11703	0.8
137.09566	0.4
141.06987	0.3
141.09102	0.3
142.07817	0.2
143.08556	3.9
145.05009	0.3
145.06425	0.2
145.10107	4.7
147.08092	1.4
147.11668	18.6
148.12015	0.4
156.09372	0.5
159.11674	0.5
161.09619	1.9
161.13237	5.9
163.05952	0.4
163.11150	0.7
165.09270	0.2
169.10077	0.4
171.11673	12.7
172.11998	0.2
173.04491	0.4
179.14417	0.5
184.07436	0.3
189.12729	5.5
207.13776	12.5
225.14896	1.4
263.16397	1.1
279.15826	0.2
281.17447	35.1
282.17810	0.6
309.16306	0.3
388.51907	0.2
425.21524	0.2
469.29489	2.6
487.30496	100.0
488.30899	2.7
505.31271	0.4
539.33148	0.3
567.32971	0.8
631.34570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	3.1
61.02922	10.8
65.03934	1.8
67.05496	100.0
68.05807	0.7
69.03426	2.4
69.07060	8.1
71.04989	3.6
71.35961	1.2
73.02911	3.4
79.05485	22.2
80.53046	0.4
81.03431	1.2
81.07047	41.4
83.04980	1.0
83.08607	9.2
85.02893	13.9
85.06541	3.2
87.04469	0.7
91.03947	9.0
91.05473	16.0
93.07033	28.7
95.04974	2.5
95.08595	29.9
96.04482	0.9
97.02880	6.6
97.06523	1.6
97.10154	2.8
98.20847	0.5
99.04432	0.5
99.08085	0.9
105.07021	7.8
107.08581	17.1
109.02824	0.9
109.06530	1.0
109.10142	80.5
110.10496	1.0
111.08057	3.4
115.15641	0.6
117.06999	3.9
119.08562	12.0
121.10132	13.2
123.08071	0.8
123.11681	4.4
125.09604	1.1
127.03905	3.4
129.05505	0.7
129.06911	0.7
131.08549	7.6
133.10107	6.5
135.11674	8.6
137.09595	3.5
137.13231	1.4
143.08556	0.5
145.04964	4.2
145.10100	5.3
147.11639	4.3
149.13251	5.5
155.10692	3.4
159.11674	4.2
161.13226	3.2
163.05995	5.6
163.14812	3.3
171.11693	0.7
173.10210	1.1
173.11755	22.7
173.13257	4.4
175.14803	1.7
177.16330	0.8
180.08810	0.7
184.07356	1.3
187.14813	2.2
189.11226	1.5
201.16325	0.6
215.14484	0.6
227.12721	5.3
229.14323	98.4
230.14665	1.6
233.22643	0.7
243.21046	6.3
259.20401	0.6
261.22116	21.4
263.23773	0.6
317.24747	3.4
333.24347	0.9
335.25754	79.7
336.25919	1.8
379.29877	0.8
397.30997	2.5
415.31909	1.5
433.33093	0.9
471.34778	2.2
489.35687	80.7
490.35794	3.4
506.38605	0.6
507.36725	8.9
633.39612	0.6
848.50220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.9
60.17142	0.4
61.02921	9.5
65.03933	1.5
67.05497	73.0
69.03426	2.2
69.07057	6.3
71.04980	2.9
73.02914	2.5
79.05485	13.8
81.03416	1.2
81.07049	30.1
83.04955	0.8
83.08611	7.0
85.02894	12.4
85.06541	2.2
86.09678	1.1
91.03954	8.4
91.05466	10.6
93.07033	19.3
95.04941	2.5
95.08594	21.2
97.02881	7.0
97.06519	0.9
97.10168	2.0
99.04425	0.7
99.08063	1.2
105.07018	5.4
107.08588	10.9
109.06474	0.8
109.10143	72.2
110.10505	1.2
111.08080	2.5
111.11782	0.5
115.03876	0.9
117.07020	2.4
119.08578	8.7
121.10126	9.0
123.11684	2.7
125.00017	0.8
125.09615	1.2
126.94360	0.5
127.03915	3.3
127.11173	0.5
127.56865	0.5
131.08568	4.2
132.08865	0.5
133.10126	4.8
135.11668	6.9
137.09576	3.2
137.13266	0.7
139.11168	0.7
145.04916	3.7
145.10118	4.1
147.11685	3.6
149.09555	0.5
149.13248	4.5
155.10674	3.5
159.11652	3.2
161.13232	2.6
163.06000	4.7
163.14763	2.3
173.11755	22.6
173.13252	3.0
175.14783	1.2
177.16377	0.8
184.07382	1.7
187.14757	1.7
189.11221	1.5
213.14789	0.6
227.12749	8.0
229.14326	100.0
229.78633	0.7
230.14622	1.1
233.22636	0.6
243.21069	4.5
259.20361	0.8
261.22116	16.3
268.10382	0.6
317.24609	2.7
335.25760	64.9
336.25983	1.7
379.29730	1.2
384.49557	0.5
397.30875	1.8
405.30106	0.5
415.32031	1.6
471.34702	2.7
489.35690	51.3
490.35803	1.6
507.36783	9.0
633.39319	0.9
795.84460	0.6
848.50659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.7
65.03912	2.4
67.05495	36.1
69.03387	2.7
69.07052	9.5
71.04987	3.7
71.53557	0.6
71.62360	1.0
73.02916	1.7
73.06509	1.7
77.03872	1.1
79.05486	52.0
81.03409	38.7
81.07047	34.6
82.07339	0.7
83.04974	15.8
83.08607	15.3
85.02894	16.7
85.06506	2.0
91.03943	3.3
91.05470	47.6
93.07033	45.7
95.04958	28.2
95.08594	18.2
97.02877	5.2
97.06513	3.8
97.10152	4.0
99.04417	1.2
99.08057	1.2
104.70872	0.7
105.04460	1.8
105.07019	34.6
106.20283	0.7
107.04939	7.9
107.08585	15.3
109.06509	6.7
109.10130	4.0
111.04383	1.9
111.08066	7.2
112.31701	0.6
113.05959	1.3
115.05413	1.4
117.06321	0.7
117.06999	7.2
119.04910	0.7
119.08568	25.9
120.08920	0.8
121.06454	3.0
121.09447	0.7
121.10124	8.1
123.04376	0.9
123.08062	4.9
123.11669	0.9
125.09603	1.1
127.03870	1.5
127.07541	1.6
128.06149	1.4
129.06989	14.8
131.08559	8.5
133.06454	3.2
133.10115	14.8
135.08014	1.2
135.11642	1.6
137.09613	0.8
139.03851	0.9
142.07733	1.7
143.08546	6.4
145.04883	1.0
145.10106	7.7
147.08051	4.4
147.11673	35.0
149.09616	4.1
157.10107	10.4
161.09570	2.6
161.13229	7.8
163.05972	1.5
163.11147	1.6
165.12717	2.0
171.11665	17.3
173.04451	0.9
175.11147	8.7
184.07358	0.6
189.12694	7.3
193.12225	23.5
199.62180	0.7
207.11842	1.4
207.13779	21.8
209.98311	0.7
211.13258	22.3
225.14790	1.8
249.14742	0.8
259.14471	0.8
267.12936	1.2
267.15872	30.6
281.17444	91.8
282.17566	1.4
285.16949	21.8
421.25803	0.8
447.26907	0.7
455.27957	1.5
473.28955	100.0
474.29312	2.3
491.29996	89.9
492.30313	2.4
617.33960	0.9
635.34039	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.7
65.03912	2.4
67.05495	36.1
69.03387	2.7
69.07052	9.5
71.04987	3.7
71.53557	0.6
71.62360	1.0
73.02916	1.7
73.06509	1.7
77.03872	1.1
79.05486	52.0
81.03409	38.7
81.07047	34.6
82.07339	0.7
83.04974	15.8
83.08607	15.3
85.02894	16.7
85.06506	2.0
91.03943	3.3
91.05470	47.6
93.07033	45.7
95.04958	28.2
95.08594	18.2
97.02877	5.2
97.06513	3.8
97.10152	4.0
99.04417	1.2
99.08057	1.2
104.70872	0.7
105.04460	1.8
105.07019	34.6
106.20283	0.7
107.04939	7.9
107.08585	15.3
109.06509	6.7
109.10130	4.0
111.04383	1.9
111.08066	7.2
112.31701	0.6
113.05959	1.3
115.05413	1.4
117.06321	0.7
117.06999	7.2
119.04910	0.7
119.08568	25.9
120.08920	0.8
121.06454	3.0
121.09447	0.7
121.10124	8.1
123.04376	0.9
123.08062	4.9
123.11669	0.9
125.09603	1.1
127.03870	1.5
127.07541	1.6
128.06149	1.4
129.06989	14.8
131.08559	8.5
133.06454	3.2
133.10115	14.8
135.08014	1.2
135.11642	1.6
137.09613	0.8
139.03851	0.9
142.07733	1.7
143.08546	6.4
145.04883	1.0
145.10106	7.7
147.08051	4.4
147.11673	35.0
149.09616	4.1
157.10107	10.4
161.09570	2.6
161.13229	7.8
163.05972	1.5
163.11147	1.6
165.12717	2.0
171.11665	17.3
173.04451	0.9
175.11147	8.7
184.07358	0.6
189.12694	7.3
193.12225	23.5
199.62180	0.7
207.11842	1.4
207.13779	21.8
209.98311	0.7
211.13258	22.3
225.14790	1.8
249.14742	0.8
259.14471	0.8
267.12936	1.2
267.15872	30.6
281.17444	91.8
282.17566	1.4
285.16949	21.8
421.25803	0.8
447.26907	0.7
455.27957	1.5
473.28955	100.0
474.29312	2.3
491.29996	89.9
492.30313	2.4
617.33960	0.9
635.34039	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70972	0.4
61.02634	0.7
61.02917	8.4
65.03922	1.9
67.05495	22.3
69.03422	5.7
69.07056	7.7
71.01325	0.8
71.04988	4.2
73.02910	3.3
77.03953	0.5
79.05479	27.8
81.03405	85.2
81.07043	29.3
81.07427	0.4
83.04470	0.6
83.04972	19.4
83.08604	31.4
85.02892	38.5
85.06532	2.3
87.04458	0.7
91.03947	6.9
91.05466	35.8
92.05778	0.5
93.07030	16.7
95.04954	34.9
95.08585	11.3
97.02872	8.5
97.06513	4.5
97.10157	5.9
99.04429	1.5
99.08070	1.6
103.05485	0.5
105.07013	26.3
107.04939	9.3
107.08583	9.2
109.02849	0.8
109.06503	5.9
109.10134	3.8
111.04428	3.4
111.08061	14.2
113.05990	2.5
115.03941	0.4
115.05444	1.9
117.06999	1.7
119.04934	1.3
119.08564	24.2
121.06496	2.2
121.10129	11.0
123.08041	3.6
123.11695	1.5
125.05977	0.5
125.09624	2.9
127.03891	2.8
127.07527	1.0
128.06221	0.6
129.06985	14.4
131.07556	0.8
131.08545	15.4
133.06476	3.9
133.10110	15.5
135.08009	0.6
135.11647	1.1
137.09627	2.5
137.13228	0.5
142.07767	3.5
145.04967	2.6
145.06438	1.1
145.10104	2.0
147.08032	4.3
147.11662	20.5
149.09602	9.1
150.09911	0.5
151.11165	1.2
155.08501	0.6
157.10109	22.5
163.06012	2.8
163.11151	0.8
165.12752	4.3
175.11162	22.6
175.89954	0.4
189.11186	0.5
191.45702	0.4
193.12213	62.3
194.12634	0.5
211.13257	84.0
212.13525	0.5
223.13232	0.5
227.12578	0.5
233.15395	0.4
245.65102	0.4
249.14790	1.0
267.15875	46.8
268.16122	0.8
273.14975	0.5
285.16922	81.5
286.17212	0.9
318.15417	0.4
334.13733	0.4
349.21585	1.1
367.22668	3.0
385.23743	4.4
403.24664	1.5
411.20145	0.5
429.21115	0.7
431.28015	0.5
433.25839	2.4
441.26001	2.0
459.27356	38.6
460.27518	1.0
477.28418	37.5
478.28604	0.8
495.29468	100.0
496.30038	2.6
621.32538	0.8
639.33698	2.6
746.04724	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.3
65.03919	3.1
67.05496	74.1
68.99770	1.3
69.03419	7.7
69.07058	29.9
71.04990	7.4
71.08617	1.4
73.02892	1.0
77.03928	1.5
79.05483	51.4
81.03411	13.0
81.07049	88.0
83.04967	12.7
83.08601	12.6
85.02874	3.0
85.06519	7.3
89.06013	2.1
91.05470	68.1
93.07033	56.6
93.41970	1.1
95.04955	17.1
95.08595	33.6
97.02874	4.0
97.06512	13.9
97.10152	5.0
99.04432	2.3
99.08078	3.2
103.05455	3.2
105.04497	1.4
105.07018	57.5
107.04957	12.6
107.08578	41.4
109.02836	2.0
109.06509	13.1
109.10141	44.0
111.04417	2.5
111.08067	6.4
113.05981	1.5
113.09612	1.5
114.88042	0.9
115.05438	1.8
117.06200	1.9
117.06991	15.4
119.08562	24.9
121.06485	10.1
121.10114	13.6
123.04385	2.0
123.08058	6.6
123.11710	8.1
125.09602	2.4
127.03918	1.9
127.07520	1.8
128.06184	2.4
129.06985	6.8
131.08548	22.2
133.06496	5.1
133.10114	59.6
135.08043	8.4
135.11685	9.8
137.09584	4.0
139.07500	1.8
139.11108	1.1
140.88264	1.1
141.06976	2.2
143.08554	6.9
145.06450	1.7
145.10109	16.2
147.08022	4.4
147.11684	9.3
149.09601	14.5
149.13243	6.1
151.11163	25.5
155.08545	3.4
157.10104	4.9
159.08020	1.8
159.11665	10.5
161.09592	8.0
161.13252	4.4
163.11186	9.6
165.12563	1.1
167.10721	1.1
169.10083	3.3
169.12209	5.9
171.11661	5.3
173.04405	2.0
173.09613	1.7
173.13206	4.8
175.11185	3.8
177.09050	1.5
177.12714	3.5
179.10638	3.2
179.14249	2.5
181.10178	1.0
181.12135	2.4
183.11682	2.8
185.13239	2.2
187.11124	1.2
187.14955	1.1
189.11279	1.4
189.12788	1.7
191.02040	1.1
191.14287	1.1
193.12180	1.3
195.13780	3.4
197.11682	1.4
197.13284	1.9
201.12723	1.9
211.14778	1.1
213.16393	1.3
215.12723	4.6
217.15643	1.2
227.12794	3.2
227.17834	2.3
229.19458	2.4
237.16289	1.1
239.17905	3.3
245.18962	2.8
247.20509	2.0
251.12717	1.9
253.14322	100.0
254.14723	1.8
255.15593	5.0
257.18942	6.4
263.20016	3.3
267.15878	2.5
269.14746	1.7
269.17447	14.4
271.15286	2.9
273.18469	24.4
275.20026	22.5
291.19510	21.6
293.21066	2.3
309.20514	2.5
331.22849	1.2
347.21997	7.6
349.23709	20.6
365.23178	32.5
367.24619	2.8
447.27225	5.3
448.56436	1.0
451.26773	3.8
463.27243	1.9
465.28378	11.2
527.33374	5.5
541.35089	7.3
545.34711	23.0
546.34973	1.5
559.36206	48.7
560.36407	1.5
621.41266	3.0
639.42426	13.3
657.43951	6.1
783.49957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.2
65.03918	1.9
67.05496	49.5
67.99387	0.6
69.03415	12.3
69.07059	41.6
69.48580	6.0
71.05013	4.5
71.95428	0.6
73.02881	1.0
77.03897	1.3
79.05482	41.2
81.02972	0.7
81.03407	9.7
81.07045	53.5
83.04971	8.7
83.08614	14.7
85.02890	2.8
85.06528	2.8
91.04876	1.2
91.05468	36.0
93.07029	42.0
95.01313	0.8
95.04955	15.6
95.08592	27.2
97.02882	9.8
97.06513	11.5
97.10156	20.4
99.04444	0.9
99.08089	1.9
103.05460	1.5
105.03411	0.7
105.04482	1.2
105.07018	33.9
107.04940	12.7
107.08578	32.1
107.36317	0.6
109.02854	2.0
109.06512	7.4
109.10143	15.2
111.04409	2.0
111.08069	4.8
113.05980	0.8
114.15181	0.7
115.05439	2.1
116.06216	0.9
117.07008	15.4
119.04939	2.0
119.08566	22.7
121.06524	6.0
121.10134	12.2
123.04395	1.5
123.08059	6.1
123.11668	3.6
125.06005	0.9
125.09606	14.2
127.03909	1.8
128.06198	1.7
129.05490	1.3
129.06984	6.0
130.07755	1.4
131.08548	15.3
133.06476	4.2
133.10114	19.2
134.07257	1.4
135.08017	5.8
135.11688	9.4
137.09610	3.6
141.06995	2.6
142.07759	1.8
143.08539	5.3
144.09375	1.1
145.06467	2.2
145.10109	15.3
147.08037	5.4
147.11665	10.2
149.09586	10.3
149.13258	6.9
151.11157	2.6
153.09059	2.2
155.08560	1.9
157.10141	4.2
159.08055	1.9
159.11687	9.7
161.09586	3.6
161.13246	3.4
162.10362	0.8
163.11150	6.8
165.09085	2.0
165.12741	1.4
167.08540	0.9
169.10136	3.1
171.10312	1.2
171.11688	3.5
173.04459	1.0
173.09653	1.4
173.11879	0.7
173.13257	3.3
175.11182	2.8
177.12729	4.6
179.10666	1.1
179.14218	1.6
181.10172	0.9
183.11679	1.8
184.07300	1.8
185.09537	0.8
185.13281	1.6
187.11165	1.3
187.14815	1.0
189.11194	7.2
189.12750	1.0
193.12244	1.6
195.11989	0.8
195.13733	3.5
197.13167	1.7
199.11304	0.9
199.14789	1.0
201.12708	1.5
201.16490	0.8
203.14253	0.7
205.12134	3.6
207.58139	0.7
213.16469	0.9
217.15955	0.9
217.19231	0.7
219.13792	0.7
223.13266	18.6
227.12729	17.3
227.17812	1.1
229.14328	1.0
229.19498	1.7
233.15332	1.0
237.16458	0.8
239.17897	1.9
245.18994	1.4
247.20581	1.7
249.14828	3.5
253.14264	4.7
253.17914	1.2
255.15738	5.2
257.18933	8.1
263.16495	0.7
263.20145	1.3
267.15967	2.2
269.17447	13.9
273.18466	16.7
275.20038	25.3
287.16254	0.7
287.19519	0.6
291.19507	100.0
292.19785	2.0
293.21033	2.0
309.20529	2.1
321.23978	0.8
331.22702	1.9
347.21994	3.3
349.23724	24.7
363.08667	0.6
365.23196	42.5
367.24689	1.1
371.16837	0.7
413.21338	0.9
461.28781	1.9
519.33258	2.2
527.34149	1.5
535.32391	2.7
541.34955	3.4
543.36536	2.6
545.34552	12.1
559.36237	40.8
560.36377	1.3
599.39136	1.0
611.42261	0.9
621.40973	3.3
639.42456	31.2
657.43756	3.4
703.40430	1.7
854.45343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02890	1.4
65.03924	2.1
66.04725	0.8
67.05496	59.7
69.03415	11.0
69.07060	36.6
69.35959	7.4
71.01335	1.3
71.05000	5.1
77.03927	1.2
79.05481	48.1
81.03413	12.3
81.07045	63.3
83.04966	8.6
83.08605	14.9
85.02909	3.9
85.06514	2.8
86.09691	0.8
87.04441	0.9
91.05465	42.9
93.07028	45.2
94.04194	0.9
95.04957	15.7
95.08595	27.0
96.78898	0.8
97.02881	11.9
97.06523	11.1
97.10162	15.6
99.04443	1.8
99.08061	1.8
103.05446	1.7
105.04443	1.0
105.07017	32.7
107.04935	11.5
107.08575	31.4
109.02852	2.6
109.06487	6.2
109.10140	17.8
111.04422	1.5
111.08065	4.2
113.06010	0.9
115.05420	3.0
116.06187	0.9
117.06998	17.6
119.04942	1.6
119.08565	23.4
119.09424	1.3
121.06474	7.0
121.09294	1.4
121.10123	13.9
123.04467	1.3
123.08058	6.1
123.11724	4.2
125.05942	1.0
125.09610	10.2
127.03918	1.4
127.07503	0.9
128.06212	1.6
129.07005	7.0
130.07733	2.4
131.08556	19.1
133.06473	4.7
133.10110	26.3
135.08037	6.9
135.11670	10.2
137.09602	3.4
141.06958	1.5
142.07727	1.3
143.08548	7.5
145.06465	1.3
145.10109	15.8
147.08051	6.1
147.11661	7.4
149.09590	9.7
149.13225	8.0
151.11162	5.2
153.09030	1.0
155.08455	1.8
157.10107	3.9
159.08031	1.4
159.11667	11.4
161.09605	5.0
161.13231	2.5
162.10358	1.2
163.11121	5.7
163.14833	1.0
165.09064	2.4
167.08513	1.4
169.10100	1.8
169.12157	1.2
171.10258	1.0
171.11584	3.8
173.04501	1.7
173.09535	1.0
173.11761	1.0
173.13240	3.1
175.11168	3.3
175.14819	0.9
177.12672	4.4
179.10573	1.4
179.14275	2.3
181.12244	1.5
183.11639	2.1
184.07350	2.1
185.09529	0.8
185.13251	3.0
187.11243	1.5
187.14832	1.7
189.11230	4.5
189.12732	1.1
191.14374	0.9
193.12161	2.3
195.13768	5.9
197.13254	2.4
203.14307	1.6
205.12201	1.7
209.13271	0.9
211.14815	1.1
213.14673	1.3
221.11688	0.8
223.13268	16.9
227.12718	8.8
229.19522	0.8
233.13376	0.8
233.15501	0.8
239.17990	1.4
245.18968	2.1
247.20468	1.4
249.14771	3.0
251.16298	1.1
253.14305	10.5
255.15605	5.4
257.18973	5.0
263.16180	0.9
263.19958	1.4
267.16006	1.1
269.17450	28.7
273.18475	17.8
275.20035	17.0
275.86191	0.8
283.15366	0.8
291.19495	100.0
292.19772	2.1
293.21152	1.3
309.20718	2.0
325.66757	0.8
347.21979	4.1
349.23721	14.6
365.23209	48.3
366.23459	1.2
367.24692	3.3
411.24789	0.8
413.21896	1.3
461.28830	2.2
477.28024	1.0
519.33099	1.0
527.33301	0.8
541.35309	4.3
545.26636	1.4
545.34595	17.6
559.36237	75.4
560.36102	2.4
577.36810	1.3
599.38971	1.1
611.42908	0.8
615.27332	0.8
621.41498	1.8
639.42407	18.3
657.43536	5.5
703.40271	1.8
854.45734	5.5
855.43970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.1
63.07550	1.9
64.20744	2.3
65.03940	5.7
67.05502	94.7
69.03418	9.7
69.07066	51.0
71.04974	7.6
71.08619	3.0
71.63555	2.4
71.63959	2.6
73.02886	2.6
79.05489	89.0
80.05338	2.0
81.03410	16.3
81.07051	100.0
81.72853	2.0
83.04973	14.4
83.08618	19.8
84.48077	2.0
85.02882	9.2
85.06523	5.0
91.05476	86.4
93.07037	85.5
94.07367	2.1
95.04962	22.8
95.08598	59.9
97.02885	8.5
97.06532	20.3
97.10167	14.2
99.04432	3.6
99.08076	8.4
103.05460	4.5
105.07027	71.8
107.04913	12.2
107.08587	50.2
109.06570	11.9
109.10154	31.5
111.04462	2.6
111.08060	8.0
113.09615	2.3
115.05435	5.1
117.07008	34.5
119.07777	4.0
119.08572	51.7
121.06486	6.7
121.10126	34.3
123.04408	5.9
123.08082	8.3
123.11688	9.1
125.09612	8.1
127.03915	4.2
128.06183	4.6
129.05516	4.0
129.07007	16.2
131.08554	47.1
133.06488	4.8
133.10126	44.7
135.08025	9.7
135.11673	24.0
137.09605	6.1
139.11081	2.7
141.06964	4.3
142.07791	4.3
143.08548	15.9
145.10120	31.9
147.08020	5.5
147.11673	29.0
148.60744	2.3
149.09604	18.3
149.13235	14.2
151.11143	5.8
155.08549	7.6
157.10130	19.3
159.11705	28.0
161.09610	5.9
161.13229	15.0
163.11218	13.7
163.14796	3.8
167.08545	3.0
169.10092	12.4
171.11633	15.4
173.09633	3.1
173.11726	6.2
173.13245	13.7
175.14771	5.9
177.12733	6.4
179.08510	2.3
179.14331	5.3
181.10075	5.7
183.11758	10.4
184.07344	4.9
185.13248	10.3
187.11285	2.4
187.14812	3.6
189.11177	6.9
189.12752	2.8
193.12250	2.8
195.11702	5.2
195.13785	6.9
197.13229	8.5
199.14812	8.8
201.16362	4.4
203.48259	2.5
207.11778	3.0
209.13237	4.2
211.14842	4.3
213.16470	2.9
221.13138	2.6
223.13147	2.8
227.12604	10.5
229.14442	7.1
239.18022	5.1
241.19499	7.7
247.20508	2.8
253.14368	3.4
255.15755	4.0
257.18942	9.5
259.20517	15.2
267.15820	2.7
269.17548	16.0
273.18451	5.1
275.20026	38.1
277.21436	3.2
285.22540	2.1
289.17816	3.7
291.19492	11.6
293.21088	6.1
296.91830	2.3
313.21851	3.1
315.23175	4.8
317.59576	2.3
325.21683	2.4
331.22797	2.8
333.24185	20.6
335.25809	4.5
347.22003	2.5
349.23737	31.5
351.24774	3.3
365.23331	4.8
367.25015	3.8
449.10474	2.1
463.30502	6.8
471.34360	3.1
489.35648	2.5
501.35806	2.6
503.33838	3.4
513.35651	21.1
515.38403	3.4
525.35883	3.1
527.37396	14.6
533.39954	2.4
543.37024	10.3
559.36298	5.6
561.37195	2.7
590.14276	2.7
607.43341	17.6
623.43103	3.2
625.44818	12.8
641.43683	6.0
659.44531	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	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.1
65.03926	3.8
67.05495	78.0
68.05834	1.3
69.03420	11.0
69.07058	38.9
70.88681	1.0
70.89021	2.8
71.01356	1.3
71.04972	6.4
73.02901	1.3
75.67297	1.0
77.03938	1.3
79.05481	59.3
81.03407	15.3
81.07044	100.0
82.07370	1.3
83.04968	13.7
83.08598	18.4
85.02897	5.3
85.06528	5.2
91.05467	53.5
93.07030	70.4
95.04955	20.0
95.08591	41.9
97.02887	4.6
97.06522	20.4
97.10150	8.1
98.21155	1.4
99.04437	2.2
99.08076	4.7
105.06283	1.3
105.07016	43.8
107.04942	11.4
107.08578	44.3
109.02866	1.8
109.06513	10.2
109.10139	17.0
111.04449	1.7
111.08077	6.8
113.05997	1.2
113.09653	1.1
115.05427	3.2
117.06999	22.8
119.08565	33.5
121.06472	6.6
121.10123	24.8
123.04325	1.2
123.08041	5.5
123.11691	6.9
125.09615	7.4
127.03901	4.1
128.06282	1.5
129.05453	2.2
129.06989	7.2
129.35880	1.1
130.07764	1.6
131.08548	26.4
133.06485	2.6
133.10106	31.8
135.08031	7.5
135.11674	22.5
137.09639	5.5
137.13219	1.3
139.11182	2.7
141.06989	2.0
142.07771	1.8
143.08530	6.9
144.09203	1.2
145.04967	1.4
145.06514	2.9
145.10095	23.6
147.08095	2.3
147.11661	16.5
149.09608	16.1
149.13237	18.0
151.07593	1.3
151.11171	3.5
155.08562	5.2
157.10091	9.7
159.08026	1.3
159.11671	22.6
161.09589	2.3
161.13220	5.5
163.11169	13.4
165.12755	3.5
167.08499	1.3
169.10144	4.1
171.08098	1.1
171.11607	7.0
173.04494	3.5
173.09662	2.3
173.13225	7.3
175.11215	2.7
175.14844	2.2
177.12764	6.7
179.10663	1.2
179.14236	2.8
181.10002	1.3
181.12274	1.9
183.11668	5.1
184.07387	3.2
185.13251	3.7
187.11154	1.8
187.14786	1.8
189.11201	3.3
189.12766	1.8
193.12231	1.4
195.11865	2.1
195.13812	10.6
197.13223	3.5
199.14867	2.7
201.12624	1.6
203.14334	1.3
209.13287	1.4
213.16414	1.6
215.17863	1.0
223.13179	1.6
227.12718	7.2
229.14191	1.6
229.19484	2.7
239.17973	3.7
247.20609	3.6
251.16312	2.2
253.14348	1.5
255.15889	16.2
257.18924	11.9
259.20520	1.5
267.15842	3.3
269.17438	53.6
273.18423	1.2
275.20020	46.6
276.20096	1.4
292.19733	1.4
293.17612	1.5
293.20938	3.8
301.21573	1.5
303.15848	1.3
313.21463	1.2
321.24405	1.5
331.22601	4.0
349.23691	45.5
367.24713	11.5
389.26724	1.1
413.21460	2.9
423.27203	1.2
423.32568	1.4
431.28009	1.3
433.30774	2.2
435.27371	3.4
445.29633	2.6
449.22845	1.1
449.28894	31.2
451.31998	2.6
463.30493	47.7
464.30624	1.2
469.32950	1.4
485.32614	1.4
503.33698	2.3
515.37384	2.6
519.32947	1.8
525.35730	7.5
529.35205	7.9
543.36743	48.1
544.37109	1.4
547.36053	2.0
561.37714	9.1
607.34290	3.1
623.43390	6.0
641.43707	7.0
659.44751	3.2
687.40948	1.3
705.41626	1.5
856.45844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26184	0.9
61.02907	2.9
65.03923	4.0
67.05498	79.6
69.03426	12.8
69.07060	47.2
69.20601	0.9
70.90714	1.7
71.01348	1.4
71.04992	7.6
73.02907	1.1
76.97997	0.9
79.05482	76.5
80.05796	1.2
81.03415	19.3
81.07048	100.0
81.39864	1.2
82.07380	1.1
83.04974	16.1
83.08607	18.3
85.02890	6.4
85.06524	4.2
85.37470	1.0
91.05469	67.8
92.05721	1.2
93.07036	77.1
95.04955	19.0
95.08595	48.9
96.18166	0.9
97.02885	8.4
97.06522	22.2
97.10168	10.5
99.04454	2.5
99.08074	4.1
103.05505	1.6
105.07020	51.1
107.04939	12.4
107.08583	49.5
109.02863	3.0
109.06496	10.1
109.10136	16.8
111.04459	2.3
111.08087	7.1
112.23830	1.0
113.06001	1.1
113.09611	2.1
115.05438	2.3
116.66274	1.0
117.06995	24.4
119.04949	1.1
119.08562	38.6
121.06482	8.9
121.10136	24.8
123.04424	1.3
123.08053	6.5
123.11663	5.2
125.09614	8.3
127.03890	3.6
128.06177	2.4
129.05513	1.8
129.07005	10.1
130.07750	2.6
130.54320	0.9
131.04985	1.4
131.08557	33.0
133.06467	3.7
133.10114	33.8
135.08066	6.9
135.11671	22.0
137.09555	6.0
137.13251	1.4
141.06981	4.4
142.07788	2.3
143.08571	8.3
145.04939	1.9
145.06477	2.6
145.10100	23.9
147.08081	2.6
147.11671	15.7
149.09601	20.5
149.13229	12.6
151.11150	4.4
153.06990	1.2
153.12694	1.1
155.08514	6.5
156.09294	1.1
157.10132	8.5
158.07182	1.0
159.08038	1.8
159.11679	22.2
159.12982	1.3
161.09656	1.4
161.13284	7.0
163.11148	13.8
165.12801	2.0
167.08498	1.6
169.10095	5.9
171.11708	8.9
173.04454	3.2
173.09601	2.6
173.13225	6.5
175.11162	3.5
175.14856	1.2
177.12712	7.0
179.08583	1.0
179.14316	3.9
181.10135	1.9
181.12224	2.3
183.11705	4.7
184.07346	2.2
185.09627	1.2
185.13252	4.0
187.11160	3.0
187.14832	2.3
189.11180	2.5
189.12761	2.3
193.12263	1.2
195.11804	2.3
195.13817	7.9
197.13242	4.3
199.14853	1.7
201.12685	1.2
205.12350	1.0
207.11705	2.1
209.13339	1.8
213.12878	1.2
213.14671	1.5
215.14375	1.3
215.17879	2.0
225.16466	1.2
227.12669	7.0
229.14323	2.1
229.19475	3.3
233.15204	1.2
235.17078	1.6
239.17935	3.9
241.19656	1.1
247.20580	4.0
253.18202	1.8
255.15837	17.6
257.18961	12.0
259.20465	1.2
267.15875	4.5
269.17438	45.5
273.18472	1.2
275.20047	44.7
291.19531	1.3
293.21021	3.5
313.21918	2.0
321.24402	1.3
331.22647	3.3
349.23697	41.7
350.24164	1.5
367.24792	6.6
371.25595	1.1
395.20416	1.1
399.19339	1.1
413.21420	1.9
431.27676	2.9
433.30911	2.2
435.27338	3.5
445.29510	3.5
449.28976	26.8
451.32199	1.4
463.30490	29.8
469.33411	1.6
503.33752	2.0
515.37378	2.0
519.34009	1.2
525.35638	4.9
529.35339	10.7
543.36816	41.3
544.37354	1.8
547.36200	3.3
561.37494	9.2
607.34467	2.5
623.42950	7.9
641.44171	5.5
687.40240	1.4
876.36774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05471	0.2
68.31558	0.1
69.03401	0.2
69.07034	0.3
70.06556	0.1
70.16480	0.5
71.04961	0.1
75.44691	0.1
80.04958	0.1
81.03401	0.2
82.04896	0.1
85.02856	0.3
94.06526	0.3
95.04932	0.3
95.79269	0.1
96.04453	0.2
97.02891	0.1
98.06012	0.2
98.20971	0.2
103.12497	0.1
108.04462	2.4
108.08042	0.3
109.02807	0.1
110.09647	0.1
112.07534	0.1
120.04376	0.1
122.06020	0.8
123.04379	0.1
124.07557	0.1
128.99109	0.1
136.07565	1.4
138.05486	0.7
138.09106	0.2
139.23804	0.1
140.07033	1.3
142.08595	0.2
146.05983	1.4
147.06778	0.2
148.03836	0.1
148.07552	0.8
150.05499	0.6
154.08554	0.1
157.69196	0.1
160.07504	0.1
162.05516	0.1
164.07028	0.7
166.04965	0.6
166.08640	0.2
168.05144	0.2
168.06552	4.1
172.03888	0.1
173.07077	0.1
174.05553	0.7
178.08452	0.1
181.08838	0.1
192.06586	0.2
195.09138	0.2
196.07584	0.2
196.09602	0.1
196.11185	0.4
197.10666	0.3
198.09229	0.2
199.08508	0.6
204.06502	0.7
206.08116	1.7
208.07356	0.1
209.10693	0.1
210.07684	0.2
210.09402	0.2
211.08627	4.4
211.12045	0.7
212.07198	0.2
212.09288	1.1
213.10185	1.1
213.13686	0.2
221.10789	0.7
222.09123	1.3
222.11275	0.1
223.08563	0.8
223.12131	0.5
224.11028	1.4
225.06677	0.2
225.10168	3.7
226.07065	0.2
226.10628	0.7
227.08035	0.9
227.11615	0.5
228.08655	0.1
229.09529	0.1
235.08528	0.1
236.09329	0.1
237.10274	0.3
238.10991	0.3
239.08200	0.6
239.11754	7.4
240.08557	0.7
240.12262	0.7
241.09688	1.9
241.13333	1.2
242.10385	0.6
242.44734	0.1
243.11214	0.2
245.09157	0.1
249.10184	0.7
250.08574	1.1
250.10896	0.2
251.08052	0.9
251.11768	0.3
252.08919	1.0
253.05910	0.2
253.09682	5.0
254.08128	0.1
254.10539	0.7
255.11179	0.5
256.12012	0.3
257.09482	0.1
257.10040	0.1
257.12842	0.7
259.14331	0.6
265.09552	0.2
266.10406	0.3
267.07813	0.3
267.11240	10.8
268.09113	0.4
268.11960	0.7
269.09222	0.3
269.12784	2.2
270.10107	0.2
271.10745	0.3
272.11581	0.1
273.12277	0.2
274.12762	0.1
277.09723	0.2
278.08078	0.4
279.11145	0.2
280.08600	0.4
281.09140	0.7
283.10785	0.6
284.11545	0.7
285.08951	0.2
285.12296	1.3
287.10590	0.1
287.13766	1.0
293.09216	0.2
295.10727	5.7
296.09183	0.3
296.59470	0.1
297.12271	1.2
298.10458	0.2
299.10471	0.2
300.10989	0.2
301.11752	0.3
303.13257	0.7
305.11642	0.2
305.14905	3.1
306.07626	0.2
311.10315	0.1
312.11789	0.1
313.11761	33.9
314.12271	0.7
315.13303	0.4
322.08514	0.1
323.10181	1.4
327.13263	0.3
339.09714	0.2
340.09970	0.1
341.11261	13.6
342.12021	1.3
343.12753	0.4
345.14536	0.2
355.12830	2.3
359.12308	5.6
371.12241	0.1
373.13873	100.0
374.14243	2.3
375.15430	1.0
389.13605	0.3
390.13452	0.2
391.13583	0.1
467.20120	0.4
538.21411	0.3
601.26154	0.4
609.23468	0.2
627.24249	0.8
645.25287	2.8
659.26910	1.4
663.25946	0.2
677.17432	0.2
677.28101	2.2
737.01855	0.1
801.43774	0.1
807.29944	0.4
821.32001	0.2
825.30493	0.1
839.32794	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	858.374
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	0.6
68.05029	1.0
69.03432	0.6
69.07060	1.9
70.06585	100.0
71.06921	0.6
85.02911	1.9
86.09698	8.5
95.01325	1.5
98.06030	0.5
98.21530	0.9
101.03526	1.3
114.09229	0.5
116.07095	0.7
123.77210	0.4
125.07165	2.3
131.16350	0.4
141.06583	3.2
141.10269	1.7
146.01817	0.6
157.09712	3.5
179.08528	0.5
183.04306	0.5
183.14972	2.1
187.10841	1.4
191.08661	0.5
197.27954	0.5
203.08549	0.6
205.06566	0.5
206.07314	0.9
207.08043	3.1
209.12866	1.7
211.07507	0.5
215.08612	0.8
217.09993	0.6
218.07234	0.7
219.07990	2.6
221.06004	3.6
221.09843	0.6
223.07524	2.3
229.15446	39.4
231.08148	2.1
233.09578	1.5
234.06844	1.7
234.09109	1.0
235.07516	10.3
237.05504	1.9
237.09172	0.8
243.08076	1.6
245.05988	0.9
245.09723	2.1
247.07552	7.8
249.09138	0.6
251.07065	0.9
252.10217	1.0
255.08067	1.3
259.07523	2.5
261.05569	1.3
261.09042	2.3
262.06134	0.5
262.08722	0.7
263.07071	3.4
264.10358	0.6
265.08710	0.5
266.15125	1.6
270.06735	0.6
271.07516	3.0
272.08047	0.5
273.05441	0.9
273.09167	4.2
274.06326	1.9
275.07037	3.6
276.06799	0.7
278.08060	3.1
279.06647	0.8
280.09750	2.0
283.07480	1.4
285.05597	0.8
285.09045	0.9
287.06995	3.1
288.07635	0.9
289.05438	0.6
289.08524	3.3
290.08365	1.3
291.06516	2.0
293.08243	1.6
294.14392	2.9
298.06198	1.1
299.06970	1.8
301.08548	3.7
303.06631	5.4
303.09903	1.0
304.06113	0.6
304.09869	0.7
305.08057	5.2
306.07590	0.8
307.06235	0.8
311.07251	1.0
313.08643	1.5
315.06573	2.0
316.07260	2.1
316.10223	1.0
317.08041	4.4
319.09610	1.7
321.07614	2.0
326.08206	1.1
327.06448	4.7
328.09763	1.2
329.08023	6.6
330.07895	0.8
330.11560	0.6
331.06195	0.7
331.09778	2.2
332.09299	1.2
333.07660	1.3
334.10764	0.8
335.09021	4.1
336.08710	1.3
342.07562	0.8
344.09067	4.7
345.07510	14.7
346.11087	2.6
346.14319	0.8
347.09140	4.3
348.08768	2.4
356.09290	1.3
357.07483	9.0
359.09399	1.3
362.10208	1.1
365.10135	1.0
368.11154	1.1
372.08627	12.3
373.14069	0.8
374.10342	3.0
375.08585	6.4
378.09912	0.6
379.23172	2.3
380.11328	0.7
383.10391	0.7
390.09674	16.3
391.16647	2.1
392.11313	3.3
393.09726	1.4
398.12448	2.8
400.08252	0.7
402.09818	3.2
403.08282	1.2
407.22971	1.2
408.10648	4.3
410.12726	1.1
416.15649	0.9
417.14700	0.6
420.10776	9.8
425.23984	0.8
431.16058	0.6
438.11786	6.6
456.13022	2.4
457.17831	1.1
462.16794	1.0
467.16037	0.7
473.17230	0.8
485.16986	6.4
487.14874	2.6
489.16220	0.5
505.16226	0.8
507.17798	0.5
512.18536	0.6
513.16473	7.7
517.16217	1.3
528.17780	1.9
530.19592	1.0
532.21136	0.7
535.16901	1.0
546.18774	0.9
548.20227	1.0
553.18054	3.7
558.18658	6.6
571.19434	1.5
576.19733	15.5
577.20959	0.5
594.20819	1.3
612.22107	3.1
618.24219	2.4
630.23370	3.9
636.25433	0.9
643.23383	1.4
648.25934	2.2
666.26526	5.0
673.25189	1.7
684.27539	18.3
691.26239	0.9
709.27106	0.9
774.33063	0.9
786.33130	1.5
804.34509	4.3
822.35620	3.1
840.36481	8.7
841.36877	0.8
858.37506	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	858.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48908	0.6
69.03423	0.7
69.07062	2.0
70.06583	100.0
70.21780	2.7
74.02460	0.6
85.02899	1.7
86.09697	10.2
90.42783	0.6
94.86594	0.6
95.01308	1.1
101.03506	1.2
109.12982	0.5
113.07123	0.6
116.66390	0.5
125.07108	0.9
141.06590	2.2
141.10243	1.9
143.06749	0.7
157.09717	3.8
181.06595	1.0
183.14948	1.9
187.10773	1.1
197.09285	0.8
203.08514	0.7
206.07204	0.8
207.08044	3.5
209.12802	1.5
215.08575	0.9
218.07428	0.7
219.08139	2.2
221.06006	2.6
221.09590	1.1
223.07565	1.7
226.73399	0.6
229.15440	37.9
231.08063	2.1
233.09668	1.4
234.06865	1.3
235.07527	10.4
237.05521	1.5
245.05843	0.8
245.09636	1.7
247.07536	7.9
249.09076	0.9
255.08153	1.4
257.09601	0.7
258.06772	1.2
259.07599	2.5
261.05435	1.5
261.09125	2.3
262.08878	0.7
263.06906	2.9
266.15012	1.8
266.35535	0.6
271.07452	3.3
273.06265	0.8
273.09033	3.8
274.06320	1.6
275.07013	3.0
278.08008	3.1
279.06271	0.9
280.09705	1.8
285.09235	1.2
287.06912	3.5
289.08569	3.8
290.08231	1.9
291.06534	2.3
293.08286	1.8
294.14310	2.9
294.63928	0.6
298.05923	0.8
299.06958	1.6
301.08542	4.5
303.06564	5.1
303.09982	1.0
305.07840	3.4
308.09241	0.7
311.06943	1.3
313.08524	1.7
315.06424	1.1
316.07214	1.8
316.10333	0.7
317.07956	4.8
319.09665	1.9
319.83755	0.7
321.07675	2.5
327.06317	4.5
328.09918	1.1
329.08057	5.9
330.07864	1.2
331.09784	2.1
333.07629	1.0
335.09036	3.7
336.08664	0.9
344.09265	4.7
345.07513	13.9
345.11566	1.1
346.10672	2.5
346.14420	1.0
347.09225	3.9
348.08743	1.9
353.10699	0.6
356.09402	1.5
357.07523	7.8
359.09460	1.6
362.10175	1.2
365.10269	1.1
368.11514	0.9
372.08633	11.8
374.10159	2.7
375.08527	6.6
379.23392	2.1
380.11270	1.2
390.09659	14.2
391.16779	1.6
392.11392	2.2
393.09604	1.5
398.12585	2.2
400.07852	1.2
402.09879	3.8
403.08099	0.9
407.22955	0.7
408.10782	4.4
416.16144	0.7
417.14575	0.8
420.05508	1.1
420.10733	9.1
425.24081	1.2
428.13956	0.7
431.15985	0.9
438.11871	6.0
456.12961	1.8
457.17563	0.7
462.16617	0.9
473.17453	0.8
485.17035	6.4
487.15237	1.9
505.16324	0.9
512.18213	1.2
513.16516	8.7
517.15912	1.4
528.18103	1.8
530.19458	1.3
535.17090	0.8
548.19525	0.7
553.18280	3.7
558.18658	7.1
571.19025	1.3
576.19727	15.3
594.20636	1.9
612.21893	2.6
618.23859	3.1
630.23389	4.5
636.25366	1.7
643.23358	0.9
645.25092	0.8
646.25470	0.6
648.25513	2.1
666.26202	4.5
673.24890	2.6
684.27509	17.5
685.27716	1.2
709.26886	0.9
774.33051	0.7
786.33344	1.3
804.34509	5.0
822.35486	2.9
840.36707	9.8
858.37714	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	858.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	5.4
61.02937	2.5
65.03931	1.6
67.05497	75.0
69.03426	4.7
69.06712	2.7
69.07059	24.5
71.04981	5.5
71.07371	2.9
71.62868	2.3
79.05049	3.0
79.05486	44.1
81.03408	4.4
81.07050	67.0
83.04951	4.1
83.08610	13.7
85.02902	2.8
85.06532	3.8
86.09190	3.1
86.09699	30.2
86.81138	1.7
91.05470	57.7
93.07031	57.7
95.04958	12.2
95.08595	37.8
97.06519	6.7
97.10132	5.9
98.98453	2.8
99.08083	2.1
104.10731	6.5
105.07020	56.8
107.04932	4.4
107.08584	37.3
109.06520	7.1
109.10142	26.0
111.08070	4.8
115.05431	3.1
117.07019	19.0
119.08570	44.6
121.06507	2.9
121.10135	23.2
123.08063	5.4
123.11693	5.7
124.99998	20.3
125.09602	3.9
127.03904	2.8
129.06993	13.5
131.08565	25.4
133.10132	33.8
135.08054	3.1
135.11659	14.8
137.37874	2.0
139.11140	1.9
141.06969	2.8
142.07809	3.7
143.08540	14.9
145.10132	19.7
147.07994	2.5
147.11674	31.0
149.09595	7.5
149.13254	10.1
149.14334	1.6
151.11169	3.7
155.08522	4.8
157.10114	11.7
159.11678	21.1
161.09573	2.0
161.13239	16.4
163.11124	4.4
163.14847	2.8
165.12730	1.8
169.10092	5.5
171.11642	9.7
173.09549	2.2
173.11755	3.9
173.13261	13.2
175.14803	4.6
177.12706	2.7
181.10089	3.4
183.11676	5.6
184.07320	100.0
185.07657	1.7
185.09399	2.1
185.13167	9.5
187.14786	4.7
189.12836	2.2
193.12376	1.6
195.11600	1.9
195.13600	1.7
197.13264	6.3
199.14825	5.3
211.14793	3.3
212.52473	1.6
213.16457	3.3
215.17923	3.4
223.14813	2.0
227.12633	3.1
229.14359	7.6
229.19525	2.6
237.16290	2.6
239.17969	3.2
241.19455	10.9
257.18985	4.5
259.20557	34.9
261.22009	2.1
267.15869	2.5
269.17389	13.8
273.18494	2.4
275.20059	16.1
277.21600	1.8
291.19547	2.5
293.21277	4.6
304.95844	1.8
309.21796	2.1
315.23120	2.7
329.01947	1.8
333.24225	36.1
335.25754	2.1
349.23495	9.9
351.25461	2.1
365.23572	1.7
367.24854	10.1
370.25131	1.6
435.32269	3.2
458.04745	2.1
485.32965	1.7
487.33771	4.4
505.35052	7.2
509.36139	2.3
513.35645	5.3
515.37878	4.7
527.37329	37.6
533.39642	1.9
545.38129	9.0
549.13226	2.0
551.40759	2.6
552.91138	2.1
607.43604	25.2
614.66516	2.3
625.44513	29.6
643.45270	3.9
689.43011	2.1
840.53052	3.7
858.49493	3.3
859.46252	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4799
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02928	2.7
62.31720	0.4
65.03943	0.5
67.05489	5.3
67.05824	0.5
69.03425	2.5
69.07055	3.6
70.82509	0.9
70.82840	0.8
73.02911	2.5
76.77537	0.3
79.05483	3.8
81.03400	2.3
81.07048	5.4
83.04961	0.9
83.08607	1.5
85.02889	3.6
86.09706	0.4
91.03942	1.8
91.05473	3.3
93.07022	3.4
95.04954	2.2
95.08601	2.2
97.02884	3.3
97.06487	0.9
97.10165	1.6
99.04428	0.8
99.08125	0.4
101.02368	1.3
105.06990	2.4
107.04960	0.9
107.08578	2.5
109.06544	0.9
109.10163	1.5
111.08088	0.4
117.07000	0.7
117.49302	0.3
119.08583	2.0
121.10159	1.1
123.08053	0.6
125.09641	1.2
127.03876	1.0
131.08560	1.2
132.05754	0.5
133.10092	1.0
135.08029	0.9
135.11719	1.1
145.10164	0.8
147.11726	0.8
149.09642	0.5
149.13216	0.5
184.07353	1.2
185.04170	0.5
192.07851	1.8
223.13367	1.6
243.08426	3.9
254.55870	0.5
269.17578	0.6
273.18359	0.4
291.19647	1.8
331.18848	1.4
333.20416	1.7
334.76981	0.4
335.25864	0.5
353.10385	0.5
371.11411	1.1
389.23221	0.5
404.58600	0.5
439.19467	0.9
453.21191	1.0
537.55011	0.4
549.26678	6.1
551.28192	6.3
644.46301	0.5
671.09943	0.5
859.47961	100.0
860.48236	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	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.7
65.03944	0.4
67.05495	4.9
69.03423	2.7
69.07059	2.0
69.62888	2.1
71.01358	0.4
71.04972	0.5
72.96658	0.3
73.02914	3.0
79.05484	4.9
81.03410	1.8
81.07053	6.0
83.04961	0.9
83.08617	1.0
85.02897	3.9
86.09717	0.7
91.03964	1.7
91.05478	3.6
93.07041	4.1
94.12990	0.3
95.04957	1.8
95.08604	2.5
97.02887	3.5
97.06528	0.9
97.10181	0.5
99.04443	0.8
101.02374	1.6
103.03940	0.3
105.07032	2.2
107.04940	0.7
107.08599	2.1
109.02879	0.8
109.06512	0.6
109.10146	1.3
110.59652	0.2
111.08046	0.3
113.51022	0.2
115.03918	0.3
117.06979	1.3
119.08562	2.0
121.06500	0.3
121.10153	1.2
123.08039	0.4
125.00024	0.3
125.09639	0.4
127.03931	1.2
127.09574	0.3
129.07024	0.4
131.08589	1.3
133.10089	1.4
135.08073	0.6
135.11713	1.4
137.09605	0.4
145.10147	0.9
147.11690	0.8
149.09628	0.5
149.13260	0.4
157.10100	0.3
159.11650	0.4
163.11188	0.3
177.12846	0.3
184.07335	2.2
185.04243	0.6
203.05309	0.6
207.11601	0.3
209.38689	0.3
211.70184	0.3
221.11392	0.3
243.08347	3.3
333.20364	3.9
389.23087	1.0
439.19345	2.5
453.20953	2.7
469.20456	0.9
527.49042	0.3
551.28217	13.8
552.28284	0.5
623.30450	0.4
763.42255	1.1
861.49536	100.0
862.49982	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	861.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42199	0.2
61.02918	3.6
65.03944	0.3
67.05495	4.7
67.05824	0.4
69.03419	3.2
69.07054	2.6
71.01360	0.5
71.04990	0.6
71.62455	0.3
71.65388	0.2
73.02908	3.0
79.05480	4.3
81.03409	2.0
81.07046	5.4
83.04952	1.0
83.08618	0.8
85.02890	3.8
85.06542	0.2
86.09715	0.5
87.04483	0.4
91.03944	2.0
91.05469	3.6
91.06000	0.3
93.07028	3.8
95.04958	1.8
95.08582	2.2
95.09048	0.2
97.02880	3.4
97.06537	0.9
97.10191	0.3
99.04464	0.8
101.02382	1.3
103.03928	0.4
105.07026	2.7
105.07690	0.3
107.04967	0.6
107.08557	2.1
107.09164	0.2
109.02905	0.5
109.06537	0.7
109.10118	1.2
117.07030	0.7
119.08574	1.9
121.03579	0.2
121.06509	0.6
121.10123	1.1
123.08062	0.4
124.99996	0.3
125.09631	0.3
127.03887	1.0
129.06993	0.6
131.08513	1.0
133.10085	1.2
135.08028	0.3
135.11681	1.3
136.06160	0.5
137.09561	0.3
145.10164	0.7
147.11717	0.6
149.09601	0.4
149.13203	0.4
157.10121	0.4
159.11703	0.5
161.13263	0.2
163.11211	0.3
173.13312	0.3
184.07277	1.7
185.04233	0.7
198.84850	0.2
203.05269	0.6
221.11566	0.3
233.84917	0.2
234.21152	0.2
235.13100	0.3
241.06902	0.2
243.08379	3.1
245.27565	0.2
284.13995	0.2
296.45148	0.2
299.33179	0.2
303.19336	0.4
313.09152	0.3
333.20251	4.3
355.33405	0.2
369.74832	0.2
389.22934	1.3
422.76657	0.2
439.19318	2.7
453.20825	2.2
469.20343	1.1
551.28235	13.2
552.28534	0.5
623.30347	0.3
699.44763	0.3
749.40656	0.3
763.42090	0.8
824.69366	0.2
861.49524	100.0
862.49878	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	867.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26629	0.4
65.03927	2.6
67.01858	1.1
67.05490	0.9
68.99783	8.0
70.23322	0.9
70.23717	1.0
77.03955	0.8
79.05485	1.1
81.03425	2.6
83.04993	1.3
85.02907	1.6
89.03897	2.1
91.05482	1.0
93.03399	1.5
95.04974	2.3
97.02894	0.4
99.04475	0.6
103.05462	1.0
105.03384	1.5
107.04928	5.3
109.02854	2.8
111.00788	9.0
111.01517	0.6
111.04434	14.6
115.05459	1.3
117.03370	1.2
119.04939	2.5
121.02871	1.8
121.06483	0.4
123.04419	74.0
124.04762	1.2
127.03904	72.5
128.04260	1.1
129.07025	0.6
131.04910	2.7
133.02798	0.5
135.04404	66.0
136.04749	0.9
137.02316	5.2
137.05960	1.1
139.03888	60.6
140.04247	0.9
141.06989	0.8
143.04903	1.4
145.02809	1.3
145.06479	1.1
147.04391	8.7
147.33318	0.4
149.02321	10.0
149.03462	0.7
149.05952	2.8
150.03035	0.9
151.03888	22.0
152.04532	0.6
153.01854	0.9
153.05486	0.5
155.04907	1.4
157.06487	1.1
159.04419	4.0
161.02332	1.4
161.05959	4.4
163.03891	63.5
164.04517	0.8
165.01813	1.0
165.05473	4.8
167.03392	4.8
167.04782	0.7
169.04951	1.8
169.06459	2.1
171.04424	0.6
173.02408	0.6
173.05986	4.8
174.52652	0.4
175.03841	3.5
175.07539	1.3
176.04628	0.5
177.01834	0.6
177.05466	7.5
179.03394	10.8
179.56702	0.5
181.04932	1.3
181.06471	1.1
183.04445	2.1
185.05922	2.5
187.03864	8.0
187.07501	1.0
189.01837	0.8
189.05463	3.8
190.02617	0.9
191.03365	13.3
191.07037	0.7
193.04977	2.4
197.05988	3.8
199.03806	0.6
199.07436	0.6
201.05453	9.6
203.03384	16.6
203.07048	1.9
205.04947	3.6
207.02817	1.2
207.06448	0.8
209.05960	0.5
211.03940	1.1
213.05412	5.1
215.03368	3.9
215.06891	2.3
216.04189	0.5
217.04935	3.9
219.06526	1.5
221.04353	1.0
223.02345	2.2
223.05931	0.6
225.05510	2.4
227.03456	1.1
227.07039	1.0
229.04953	13.5
231.02991	1.0
231.06448	4.9
233.04427	6.0
235.02443	0.9
237.05421	1.6
241.04948	4.3
243.02879	1.1
243.06482	5.2
244.03766	0.5
245.04433	100.0
246.04750	2.0
247.06003	63.8
248.06335	1.8
251.05498	1.6
253.04970	2.8
255.06506	3.3
257.01715	0.9
257.04425	17.9
258.05029	1.7
259.05991	16.9
260.06448	0.6
261.03625	0.4
261.07510	4.2
263.05536	1.7
265.04922	1.1
267.06366	0.9
269.04385	6.0
270.05008	0.9
271.05975	23.0
272.06241	0.9
273.04413	0.5
273.07413	2.1
274.04700	3.7
275.05453	27.9
276.05945	0.7
279.06555	1.1
281.04495	3.3
283.05994	10.1
285.03915	2.5
285.07498	1.6
286.04672	1.5
287.05457	23.1
288.05814	1.0
289.07031	38.2
290.07407	1.6
291.08612	15.5
295.06152	2.2
297.03864	2.3
297.07172	0.9
299.05429	6.7
300.05713	0.7
301.07037	13.8
303.04956	1.5
303.08594	2.0
303.14270	0.5
305.04504	0.7
307.05930	1.0
309.03949	2.8
309.07242	0.7
311.05460	2.2
313.07138	2.0
317.07837	1.2
323.05402	2.8
323.08978	0.5
325.06848	0.7
329.06613	0.6
331.08069	0.9
333.07285	0.8
337.07071	0.7
341.06741	0.5
345.07538	0.6
347.05463	0.8
349.06821	0.9
351.04999	3.3
353.06528	0.5
361.07053	2.8
362.19470	0.5
363.04846	0.6
363.08691	1.1
365.06409	3.0
367.07950	0.6
373.07037	1.0
377.06516	2.2
379.08160	3.8
381.09616	0.5
383.07504	3.5
389.06522	2.5
391.08142	3.3
393.05820	5.2
395.07587	1.9
396.08435	1.2
397.09137	12.4
398.09335	0.5
401.06635	0.6
405.05933	3.4
407.07593	31.1
408.07956	1.0
409.09140	23.8
410.09393	1.1
411.10873	2.9
415.09314	0.8
417.05899	0.7
419.07623	4.8
421.09326	3.6
425.08603	11.0
426.08490	0.6
427.10239	21.2
428.10175	0.9
431.07214	1.3
433.09271	2.8
435.10635	1.3
437.08667	13.1
438.08850	0.8
439.10406	2.2
449.08694	3.4
451.10425	3.8
453.11890	3.0
469.11432	0.9
517.11230	1.9
527.09393	1.7
529.11035	0.6
535.12299	3.9
541.10852	2.1
545.10736	6.0
559.12134	2.3
561.13513	1.3
571.12152	1.2
577.13300	2.7
579.15033	6.1
589.13019	1.2
679.13904	1.3
697.15228	4.1
715.16901	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63064	0.4
65.03938	2.1
67.01855	0.7
67.05479	0.7
68.99775	7.2
69.33386	4.1
76.51301	0.4
77.03918	0.6
79.05481	1.2
81.03397	1.9
83.04928	0.4
85.02885	1.5
87.15150	0.4
89.03419	0.4
89.03894	1.9
91.05460	1.0
93.03398	0.7
95.04967	2.2
98.20778	0.8
98.21430	0.9
99.04442	0.7
103.05454	1.1
105.03365	1.0
107.04946	3.6
109.02853	1.8
111.00790	10.5
111.04430	10.6
111.37357	0.3
115.05434	0.6
117.03363	1.7
117.06948	0.5
117.33360	0.3
119.04934	1.9
121.02850	1.3
123.04411	65.9
124.04776	0.8
127.03899	56.8
127.70765	0.4
128.04285	0.5
129.06885	0.4
131.04912	2.8
133.06511	0.5
134.98715	0.4
135.04399	56.6
136.04726	0.8
137.02328	5.1
137.05978	1.3
139.03882	43.5
140.04224	0.7
141.01833	0.5
141.06937	0.7
143.04916	1.1
145.02808	0.8
145.06473	1.7
147.03333	0.7
147.04399	7.0
149.02328	8.3
149.05937	2.2
150.03085	0.8
151.03891	15.5
153.01764	0.7
153.06903	0.9
155.03354	0.4
155.04897	1.2
157.06482	0.9
159.04375	3.8
160.05334	0.4
161.02328	0.9
161.05966	4.1
163.03886	55.6
164.04320	1.0
165.01808	1.3
165.05473	5.4
167.03394	3.2
169.04950	1.6
169.06465	1.7
171.04314	0.6
173.05934	4.5
173.36072	0.4
175.03906	3.7
176.04663	0.6
177.01810	0.4
177.05443	7.3
179.01819	0.4
179.03378	9.1
179.04887	0.7
179.06953	0.6
181.04883	1.3
181.06458	1.0
183.04417	2.1
185.05942	1.1
187.03838	6.3
187.05231	0.5
189.01718	0.6
189.05457	4.2
190.02538	0.5
191.03363	11.8
191.06998	1.2
193.04926	1.8
197.06009	3.7
199.03841	0.4
201.05446	8.6
203.03357	12.9
203.06992	2.0
205.04890	3.1
207.02895	1.1
207.06485	1.0
209.06079	0.5
211.03860	0.8
213.05441	3.4
215.03365	3.6
215.06972	2.2
217.04901	3.6
219.06503	1.6
221.04321	0.8
223.02373	2.3
225.05412	2.4
227.07024	1.6
229.04921	12.4
230.05391	0.5
231.02745	1.0
231.06488	3.5
233.04373	4.6
235.02356	0.6
237.05417	0.7
239.06866	0.5
241.04872	3.6
243.02838	1.3
243.06441	3.5
244.03732	1.1
245.04425	100.0
246.04730	2.1
247.05992	53.7
248.06265	1.0
251.05348	1.1
253.04868	2.9
255.02937	0.6
255.06427	2.8
257.04391	16.5
258.05148	1.2
259.05969	11.1
261.03851	0.6
261.07471	3.7
263.05453	1.1
265.04889	1.0
267.06485	0.6
269.04428	5.2
270.05121	0.6
271.05984	20.1
273.04089	0.6
273.07516	1.4
274.04700	5.0
275.05450	26.1
276.05811	0.5
279.06494	0.7
281.04361	2.3
283.05939	7.4
285.03833	2.6
285.07477	1.3
286.04678	1.5
287.05441	18.7
289.07025	32.4
290.07443	1.1
291.08588	11.0
295.05997	2.7
297.03915	2.2
297.07266	0.8
299.05447	5.5
301.06973	9.7
303.04962	2.1
303.08658	1.8
307.05869	1.6
309.03833	2.1
309.07211	0.7
311.05499	2.3
313.07004	1.4
317.07739	0.5
319.05783	0.7
321.07437	0.9
323.05551	2.3
323.08896	0.6
325.07047	0.5
331.07877	1.5
333.07132	0.7
335.05508	0.4
337.06949	0.9
339.04611	0.7
345.07510	0.9
347.05118	0.6
349.06830	0.8
351.04944	2.3
361.06943	2.9
363.04630	0.6
363.08664	0.9
365.06351	1.6
367.08075	0.6
373.06903	0.8
375.04645	0.6
377.06393	1.5
379.08041	4.3
381.09671	0.7
383.07632	2.2
389.06628	3.0
391.08203	2.3
393.05930	4.7
393.10403	0.6
395.07407	1.4
396.08267	1.0
397.09131	12.7
401.06384	0.7
403.07944	0.7
405.05807	2.8
407.07562	30.1
408.07910	0.9
409.09143	16.7
410.09323	0.7
411.10727	2.9
419.07556	6.0
421.09222	2.2
425.08545	11.0
427.04858	0.8
427.10239	12.2
431.07672	1.0
433.09097	2.6
435.10831	1.0
437.08655	13.9
439.10565	2.0
449.08469	3.1
451.10367	3.6
453.11807	1.6
461.08371	0.7
469.11182	0.6
479.14255	0.4
517.11194	1.3
527.09509	1.6
535.12354	3.0
541.11066	1.6
545.10706	5.0
559.12354	2.2
571.12244	2.0
577.13452	3.2
579.14941	5.2
589.13593	2.0
650.95465	0.4
679.14020	0.8
697.15076	3.6
715.17175	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.211
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68069	0.3
63.02369	0.3
65.03922	2.2
66.01099	0.3
67.01857	0.6
67.05479	1.0
68.99421	0.7
68.99776	7.9
69.00154	0.4
69.03400	0.4
69.62979	1.6
69.63390	0.6
75.86194	0.3
76.07675	0.4
77.03929	0.5
79.05471	1.1
81.03413	2.8
83.04964	1.0
85.02892	1.4
89.03888	2.1
91.05482	0.8
93.03369	0.7
95.04942	2.3
97.02842	0.6
98.20918	0.6
98.21461	0.6
99.04435	1.4
103.05457	0.8
105.03387	1.1
105.06971	0.4
107.04936	4.9
107.53724	0.3
109.02867	3.4
111.00022	0.5
111.00787	6.7
111.04427	8.3
115.05446	0.8
117.03346	1.5
117.07005	0.8
119.04933	1.4
119.72195	0.3
121.02814	1.8
123.04407	61.6
124.04754	0.5
127.03893	100.0
128.04227	0.7
128.06221	0.4
131.04915	2.6
131.08543	0.3
133.06398	0.4
135.04395	54.4
136.04715	0.7
137.02319	4.3
137.05904	1.7
139.03874	49.2
140.04222	0.7
141.01828	0.4
141.06955	0.7
143.04906	0.9
145.02800	0.8
145.06483	1.2
147.03214	0.4
147.04373	7.2
149.02310	6.5
149.05920	2.7
151.03880	15.8
153.01729	0.5
153.05446	0.5
153.06903	0.6
155.03423	0.5
155.04887	1.3
157.06459	1.5
159.04372	4.2
161.02275	1.0
161.05960	5.2
163.03876	59.2
164.04301	0.3
165.01808	0.7
165.05472	5.0
165.06844	0.7
167.03386	5.1
169.04918	2.0
169.06483	2.6
171.04384	0.5
173.05966	4.4
175.03857	4.0
175.07484	0.5
177.05449	6.9
179.03360	7.6
179.06992	0.6
181.04918	1.1
181.06334	0.7
183.04362	1.9
185.05899	1.9
187.03857	8.7
187.07446	1.1
189.01907	0.6
189.05444	3.0
190.06548	0.4
191.03355	9.3
191.07025	0.5
193.04915	2.1
197.05946	4.7
199.03958	0.6
201.05423	8.9
203.03358	11.2
203.05402	0.5
203.06944	2.7
205.04945	3.9
207.02846	0.5
207.04761	0.4
207.06482	1.4
209.05998	0.6
211.03882	0.8
213.05440	3.0
215.03436	2.9
215.06998	3.6
216.03969	0.4
217.04887	2.6
219.06448	1.4
221.04274	0.5
223.02316	1.3
225.05353	2.1
227.03380	1.1
227.07008	1.1
229.04918	11.7
231.02954	0.6
231.06468	2.6
233.04381	5.5
235.02403	0.5
237.05373	1.4
239.06967	0.6
241.04942	3.2
243.02820	0.7
243.06494	5.4
244.03644	0.5
245.04411	54.3
246.04803	1.4
247.05984	47.0
248.06265	0.8
251.05362	1.1
253.04927	2.8
255.06483	2.7
257.04407	14.6
258.05139	1.7
259.05988	10.5
260.06409	0.4
261.07584	2.5
261.11694	0.4
263.05399	1.3
265.04868	1.4
267.06381	0.9
269.04431	4.5
271.05960	26.9
272.06369	0.6
273.03815	0.6
273.07498	1.8
274.04752	2.8
275.05444	18.4
279.06396	0.8
281.04443	2.3
283.05966	11.3
285.03821	1.5
285.07211	1.7
286.04507	0.9
287.02158	0.6
287.05453	20.6
289.07022	31.0
290.07346	0.5
291.08582	21.3
293.04379	0.6
293.07663	0.5
295.05914	2.7
297.03857	2.4
297.07272	0.5
299.05463	4.8
301.07001	12.9
302.50937	0.3
303.04926	0.9
303.08505	2.1
307.05927	1.0
309.03873	1.5
309.07071	0.4
311.05539	1.8
311.08905	0.5
313.06989	2.1
317.07608	0.4
319.06079	0.5
319.12885	0.7
321.07568	0.8
323.05426	2.8
325.06967	0.9
327.05469	0.4
329.06769	0.5
331.08231	2.0
333.07309	0.5
335.05362	0.7
337.06943	0.7
339.04877	0.5
339.08505	0.7
341.06625	0.4
345.07300	0.7
347.05557	0.8
349.06854	0.6
351.04907	2.6
361.06851	1.6
363.04654	0.4
363.08569	1.1
365.06485	1.5
373.06815	0.5
375.04333	0.5
377.06418	1.4
379.07928	3.0
381.09808	0.6
383.07565	3.1
389.06284	1.6
391.07904	2.2
393.05899	3.2
395.07440	1.5
396.08450	0.5
397.09134	6.8
401.06406	1.0
403.07962	0.6
405.05807	3.9
407.02072	0.6
407.07529	18.5
409.09119	25.6
410.09375	0.4
411.10718	3.9
415.08716	0.4
417.05624	0.6
418.06348	0.4
419.07617	4.1
421.09128	3.8
425.08527	8.6
427.10184	17.7
431.07260	0.5
433.09192	2.6
435.10547	1.0
437.08585	7.4
439.10217	2.1
449.08432	2.0
451.05450	0.4
451.10303	4.3
453.11658	1.7
517.11261	2.4
527.09424	3.2
529.10724	0.8
535.12140	2.6
541.10962	1.4
541.71936	0.4
545.10626	4.6
557.10168	0.6
559.12079	1.7
561.13452	0.7
571.12494	1.8
575.11456	0.5
577.13232	2.4
579.14917	7.9
589.13007	1.4
679.14246	1.8
697.15576	3.6
699.16754	0.5
715.16107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.1
66.02581	0.6
67.01865	0.6
67.05494	1.9
68.99777	8.2
69.03419	0.6
70.37356	1.6
70.37723	0.9
79.05476	1.1
81.03398	2.7
83.04961	1.2
85.02904	1.3
89.03910	2.3
91.05475	1.8
93.03387	1.4
95.04967	2.5
98.20873	0.5
99.04480	1.2
103.05466	1.0
105.03387	1.5
107.01293	0.6
107.04939	6.6
109.02853	3.3
111.00790	7.2
111.04431	26.2
115.05428	0.9
117.03365	1.9
119.04928	2.2
121.02885	2.4
123.04411	90.5
124.04739	1.2
127.03899	100.0
128.04202	0.8
129.07027	0.7
131.04932	4.0
133.06522	0.7
135.04399	96.2
136.04745	1.5
137.02330	6.5
137.05986	0.9
139.03883	85.1
140.04222	1.6
141.01817	0.6
141.06956	1.2
143.04903	1.3
145.02818	1.2
145.06461	1.2
147.04390	8.8
149.02332	12.0
149.05951	2.8
150.03156	0.5
151.03880	33.4
152.04353	0.7
153.01857	0.6
153.05479	0.6
155.03333	0.5
155.04875	1.7
157.06430	1.3
159.04402	4.9
161.02315	1.0
161.05952	4.7
163.03882	73.1
164.04324	1.0
165.01773	1.1
165.05458	6.2
167.03404	6.2
167.04767	0.9
169.04945	2.3
169.06487	2.0
171.04405	0.6
173.05986	5.8
175.03928	3.8
175.07576	1.2
176.04803	0.5
177.05443	8.0
179.03377	11.5
181.04893	1.7
181.06419	1.2
183.04359	2.8
185.05943	2.1
187.03851	8.3
187.07510	0.5
189.05447	3.3
191.03365	13.3
191.06998	0.8
193.04919	3.3
197.05963	5.1
199.03792	0.7
201.03711	0.9
201.05460	9.3
203.03380	13.4
203.06966	3.2
205.04936	4.6
207.02861	1.0
207.06535	1.6
209.06070	0.8
211.03934	0.8
213.05426	5.2
215.03412	4.0
215.06972	4.2
217.04871	3.0
219.06454	1.4
221.04340	1.2
223.02309	2.9
225.05411	2.8
227.03432	0.7
227.06963	0.8
229.04929	14.1
230.05438	0.7
231.06477	7.5
233.04376	5.8
235.02280	1.1
237.05449	0.9
241.04872	4.2
243.02930	1.2
243.06502	7.2
244.03595	1.2
245.04424	71.4
246.04805	1.5
247.05992	53.4
248.06389	1.0
251.05496	1.5
253.04907	3.9
255.06490	3.5
257.04434	19.9
258.05200	2.7
259.06009	18.5
260.06369	0.5
261.05020	0.6
261.07568	8.4
262.07968	0.5
263.05508	2.0
265.04874	1.4
267.06659	1.3
269.04382	6.7
271.05966	31.8
272.06339	0.6
273.03900	0.9
273.07501	2.4
274.04681	2.9
275.05444	24.3
279.06448	1.2
281.04391	3.1
283.05972	10.8
284.84750	0.5
285.03952	2.2
285.07501	1.5
287.05460	22.5
288.05908	0.9
289.07034	63.6
290.07364	1.4
291.08606	27.8
295.05945	2.9
297.03891	2.4
297.07434	1.4
299.05374	7.4
301.07047	16.8
303.05038	1.6
303.08566	2.6
307.05991	1.3
309.03879	2.8
309.07312	1.1
311.05554	2.4
313.04041	0.6
313.06967	3.1
319.05832	0.7
321.03842	0.8
321.07376	0.6
323.05496	3.4
323.08847	0.8
329.06400	0.8
331.08035	2.2
333.07126	0.6
337.06857	0.6
339.04843	0.8
341.06488	0.9
345.07346	0.5
347.05386	0.9
349.07053	1.0
351.04959	4.0
361.06900	2.8
363.04745	0.8
363.08676	1.1
365.06381	2.9
367.08292	0.8
377.06491	2.2
379.08112	4.6
381.09683	0.6
383.07584	4.1
389.06552	1.4
390.07187	0.6
391.08228	3.1
393.05832	5.1
395.07471	2.0
397.09189	7.7
401.06570	0.8
405.05991	3.8
407.07541	22.5
409.09140	30.3
410.09579	0.8
411.10791	4.0
415.09695	0.7
415.61841	0.6
419.07590	5.0
421.09036	3.7
425.08621	12.8
427.10208	21.8
428.10605	0.7
431.07648	0.6
433.09137	3.2
435.10599	0.9
437.08737	9.2
439.10162	3.7
449.08542	3.4
451.10123	7.4
453.11786	2.5
469.11224	0.9
517.11151	3.5
527.09283	2.3
529.10876	0.9
535.12109	2.2
541.10883	2.0
545.10767	7.2
553.10944	0.6
557.10718	1.0
559.12439	2.5
561.13531	1.0
563.11346	0.5
571.12085	2.3
577.13287	5.4
579.14874	10.7
589.13055	2.1
611.52765	0.6
679.14203	0.8
697.15228	6.8
715.16327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	3.6
65.03923	4.6
66.04673	0.9
67.05494	100.0
69.03425	12.5
69.07059	62.7
69.07404	0.6
70.72038	2.0
71.01349	1.3
71.04988	8.6
73.02883	1.8
73.06536	1.2
79.05482	67.5
80.05814	1.3
81.02966	1.1
81.03410	15.3
81.07045	87.7
83.04529	1.2
83.04974	14.9
83.08602	20.6
85.02898	7.5
85.06525	5.4
86.09693	1.3
91.05466	72.3
92.05795	1.3
93.07030	73.6
94.07329	1.3
95.01281	1.7
95.04958	24.1
95.08591	51.4
97.02874	7.9
97.05890	1.3
97.06517	23.7
97.10149	13.3
99.04436	2.3
99.08083	4.6
103.05448	3.2
105.04533	1.1
105.07014	58.2
106.07302	1.0
107.04939	16.6
107.08579	43.9
109.02881	3.9
109.06490	7.7
109.10140	35.8
111.04426	3.0
111.08061	10.2
113.05962	1.0
113.09615	2.3
115.05445	2.5
116.06188	1.5
117.06196	1.3
117.06998	22.1
117.86346	0.7
119.04926	1.3
119.08559	42.1
121.06496	6.9
121.09287	1.7
121.10123	23.2
123.04379	2.4
123.08041	7.5
123.11690	5.4
123.21152	0.8
123.69509	0.7
125.05949	1.2
125.09613	11.7
127.03865	3.8
127.07561	1.0
128.06223	3.3
129.05461	3.1
129.06998	10.4
130.07771	2.1
131.04887	1.5
131.08557	28.6
132.99594	0.8
133.06496	4.0
133.10110	30.6
135.08034	9.7
135.11679	19.1
137.05914	0.9
137.09599	12.7
139.07481	1.2
139.11166	2.6
141.06958	5.0
142.07719	3.3
143.08557	9.4
144.09250	1.3
145.06458	2.9
145.10107	22.6
147.08037	3.9
147.11658	18.3
149.09595	29.9
149.13240	10.7
151.03871	1.2
151.11159	3.3
153.06992	0.8
153.09041	1.4
154.07710	1.3
155.08499	5.4
155.10623	1.2
156.09274	1.3
157.10103	9.4
158.07199	0.9
159.08128	1.1
159.11670	16.6
161.09608	4.0
161.13252	9.1
163.11166	15.1
163.14720	1.1
165.09045	2.0
165.12692	2.0
167.08498	0.9
169.10088	4.8
170.10817	0.9
171.10222	1.5
171.11639	9.6
173.04440	3.1
173.09625	2.1
173.11707	8.5
173.13239	9.4
175.11182	4.0
175.14780	2.4
177.12730	6.2
179.08633	0.9
179.10536	0.9
179.14339	6.0
181.10191	1.6
181.12202	2.5
183.11656	6.5
184.07248	4.7
185.13208	5.7
187.11182	3.2
187.13237	0.9
187.14812	3.2
189.11183	5.7
189.12732	2.2
193.12186	1.3
195.11659	2.6
195.13791	5.1
196.12477	0.8
197.13255	4.2
199.13211	2.9
199.14879	2.1
201.12665	1.4
201.16368	1.4
203.14301	1.3
205.12231	1.6
207.13768	1.1
209.13147	2.0
209.15196	0.9
211.14799	2.0
213.16414	2.3
215.14410	1.3
215.17914	1.5
221.15253	1.0
223.13120	1.4
225.16472	1.3
227.12671	9.5
227.17801	1.3
229.14268	16.3
229.19479	2.6
233.15312	1.9
239.17926	3.3
241.19327	1.5
243.15860	1.4
247.16881	1.2
247.20534	2.8
253.14375	1.4
253.17911	3.3
255.15799	7.0
257.18939	10.9
259.20551	7.8
263.20087	0.9
265.14191	1.5
267.15900	3.8
269.17404	13.5
273.18463	3.6
275.20013	37.3
276.20422	1.5
277.21106	0.9
283.15353	1.0
291.19522	9.3
293.21030	4.2
295.20334	1.0
301.21671	0.9
313.21506	2.0
315.22986	1.0
331.22653	3.8
333.24246	4.2
347.22125	1.2
349.23688	42.1
350.23874	2.0
365.23300	6.0
367.24921	3.0
383.24286	2.7
393.26385	1.4
409.25928	4.8
423.27197	8.1
431.27750	1.4
445.29257	2.2
447.31024	1.4
449.28833	1.1
477.28406	1.2
487.34000	2.5
503.33237	3.5
505.35019	3.2
511.33795	1.5
513.35852	1.4
525.35291	1.7
527.37463	7.7
529.35010	7.1
543.36707	14.9
544.36383	1.1
545.36469	1.0
547.35681	1.0
559.36530	2.0
561.37628	1.5
607.43195	3.2
623.43011	8.8
625.44012	2.9
641.43628	3.4
689.42181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.7
65.03918	5.8
67.05496	80.0
69.03426	13.5
69.07058	46.0
71.01344	1.5
71.04986	15.4
71.63988	1.4
72.08128	1.2
73.02888	3.7
78.98969	1.3
79.05481	71.5
81.03410	18.5
81.07044	100.0
83.04983	15.1
83.08607	20.5
85.02897	7.6
85.06524	7.7
86.09692	3.0
91.05466	55.4
93.07031	71.9
95.04951	25.0
95.08594	38.0
97.02866	7.8
97.06522	46.8
97.10148	15.2
99.04448	2.2
99.08081	5.2
103.05476	2.9
105.04478	1.6
105.07015	44.6
107.04932	15.3
107.08580	46.0
109.02860	2.1
109.06513	17.9
109.10139	27.8
111.04431	6.5
111.08071	13.4
113.06004	2.2
115.05424	3.6
115.07552	13.6
117.07005	23.2
119.08558	38.8
121.06498	13.7
121.10117	21.5
123.04391	2.9
123.08036	13.8
123.11693	5.6
123.85493	1.6
124.99947	2.5
125.09611	15.8
127.03891	5.3
127.07513	1.6
128.06183	1.9
129.07004	11.5
130.07794	2.8
131.08553	28.4
133.06480	6.3
133.10124	32.7
135.08043	11.3
135.11696	16.3
137.09575	5.9
139.11136	3.2
139.60405	1.2
141.06995	2.5
142.07751	3.9
143.08566	11.6
145.06494	2.2
145.10118	21.8
145.74792	1.5
146.04559	1.4
147.08043	9.2
147.11667	14.4
149.09593	15.1
149.13249	10.1
150.94098	1.4
151.07568	2.0
151.11166	6.2
153.12723	1.7
155.08496	4.4
157.10132	11.7
159.08076	4.1
159.11679	16.8
161.09570	8.3
161.13257	5.8
163.11137	13.1
165.09087	3.8
165.12746	2.6
167.10655	2.1
169.10130	3.7
171.08105	2.3
171.10300	1.9
171.11662	7.3
173.04430	3.0
173.09637	3.4
173.11810	2.4
173.13223	5.9
175.11169	6.3
175.14772	1.5
177.12708	5.2
179.08562	1.9
179.10667	2.1
181.10190	1.4
181.12241	4.0
183.11658	5.3
184.07358	10.3
185.13191	4.7
187.11111	3.4
187.14731	1.9
189.11198	7.5
189.12682	2.9
191.10634	2.9
191.14255	2.1
193.12283	2.6
195.11763	3.1
195.13849	4.7
196.12534	1.4
197.13271	3.2
199.11131	2.1
199.14790	2.9
201.12555	2.9
203.14252	2.5
205.12332	1.9
215.14316	1.8
217.15897	3.4
221.13234	2.1
221.15262	2.5
223.13292	5.9
227.12761	13.1
227.17917	1.6
229.14261	5.9
237.16296	2.0
239.17975	1.7
245.18994	3.9
249.14891	2.4
253.14211	8.8
255.15968	6.0
257.18985	7.6
259.20566	3.2
261.79153	1.5
263.19977	2.2
267.15826	3.1
267.59781	1.4
269.17438	33.2
273.18472	27.2
275.17096	1.2
275.20041	25.1
277.27356	1.5
291.19516	42.1
292.19839	1.9
293.21069	3.3
309.20605	3.7
333.24173	2.2
347.22128	11.0
349.23767	19.3
365.23190	25.8
367.24741	7.4
383.24191	5.3
439.26923	3.1
442.39316	1.4
445.29251	1.7
449.29184	3.2
463.30334	4.5
463.46304	1.4
501.32193	2.5
513.35583	1.8
519.33130	13.5
541.35071	10.7
543.36462	5.4
545.34332	5.3
559.36249	30.2
563.35553	1.8
566.04871	1.6
577.37146	12.2
621.41235	4.6
639.42529	12.4
657.43518	8.8
703.40448	2.8
721.41193	2.2
872.47339	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	874.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.2
65.03923	4.3
67.05495	100.0
69.03426	7.6
69.07058	35.1
71.02867	1.9
71.04979	7.2
71.61184	0.9
73.02899	2.7
77.03873	1.0
79.05482	57.7
81.02968	1.3
81.03407	14.1
81.07047	88.1
83.04967	12.0
83.08607	22.7
85.02903	5.3
85.06535	6.0
86.09686	7.7
91.05468	50.9
91.74711	0.9
93.07030	63.5
93.51548	0.9
93.80008	0.9
95.04957	14.4
95.08593	40.9
97.02875	3.9
97.06517	18.9
97.10158	16.1
99.04421	1.7
99.08057	3.0
103.05493	1.1
105.07017	44.5
107.04932	13.2
107.08577	47.4
109.02855	2.3
109.06515	9.8
109.10139	48.7
111.08076	9.4
113.09629	1.1
115.05417	2.2
117.07004	21.4
119.08561	33.5
121.06526	5.4
121.10124	20.5
123.04427	0.9
123.08033	5.3
123.11681	7.0
124.99971	3.9
125.09605	13.4
127.03896	2.4
128.06126	1.1
129.05447	1.4
129.06985	8.0
131.08548	24.7
133.06479	2.1
133.10107	30.7
135.08049	5.9
135.11681	17.4
137.05972	1.0
137.09573	5.0
139.07529	0.9
139.11180	1.6
141.06964	3.7
143.08554	8.2
145.06451	2.2
145.10095	21.4
147.08054	2.8
147.11656	15.2
149.09619	15.9
149.13254	12.6
151.11186	2.6
153.09099	1.3
155.08566	3.7
155.10593	1.6
157.10132	7.1
159.08054	1.3
159.11667	18.4
161.09596	2.9
161.13239	4.1
163.11148	9.2
165.12746	2.8
167.08386	1.0
169.10114	5.8
171.11641	5.5
172.50423	1.2
173.04454	2.2
173.09587	1.7
173.10274	1.2
173.11697	10.6
173.13251	8.6
175.11160	3.4
175.14821	1.4
177.12721	5.5
179.14326	3.4
181.05164	0.9
181.09970	1.1
181.12276	1.4
182.77097	1.0
183.11723	4.6
184.07310	25.1
185.13216	3.2
187.11153	2.9
187.14851	2.4
189.11226	4.8
189.12766	1.3
191.14215	1.5
195.11913	1.4
195.13766	6.7
197.13216	4.0
199.14771	2.0
201.12691	1.7
205.12219	0.9
207.11856	1.2
211.13045	1.2
211.14809	1.7
213.12799	1.0
213.14598	1.5
213.16420	1.6
227.12720	15.7
229.14302	26.1
229.19418	2.7
235.17041	1.2
239.18040	2.4
247.20547	3.3
253.17865	1.4
255.15755	5.5
257.18979	11.1
259.20602	1.7
267.15817	2.8
269.17429	36.9
273.18442	2.0
275.20032	50.0
283.20596	1.5
293.20941	7.0
331.22501	2.9
339.18210	1.1
339.22546	1.3
346.82523	1.0
349.17206	1.7
349.23694	42.8
367.24799	11.7
409.25705	8.9
413.21402	1.8
423.27396	28.5
433.30759	3.0
439.26874	1.5
445.29245	3.5
449.29068	8.2
451.32169	2.0
463.30521	30.2
469.33328	1.4
485.32462	1.7
503.33652	19.8
519.32800	2.9
521.34589	6.1
525.35846	6.8
527.37439	1.8
529.35858	5.8
543.36761	51.8
545.39569	1.0
547.36053	3.7
561.37695	13.6
567.31378	3.0
607.34991	2.4
623.42950	15.1
636.05029	1.2
641.44116	12.0
659.44104	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	878.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.1
65.03915	0.8
65.38474	0.6
66.92508	0.5
67.05496	17.6
69.03415	1.1
69.07054	6.5
69.31330	0.5
71.04981	1.1
71.08622	11.8
71.54505	1.2
73.02884	0.6
73.06528	0.9
79.05482	23.3
81.03418	3.1
81.07044	17.9
83.04973	5.4
83.08610	5.3
85.02888	3.2
85.10173	5.3
91.03931	1.9
91.05470	16.7
93.07034	24.1
95.04958	8.1
95.08594	16.2
97.02901	2.2
97.06516	1.6
97.10155	2.9
105.04549	0.8
105.07014	15.3
107.04971	2.1
107.08591	5.7
109.06490	2.6
109.10139	5.1
111.08057	0.8
117.06994	3.6
119.08566	8.9
121.06419	1.1
121.10139	1.2
123.08047	1.3
123.11702	1.5
127.03883	0.8
127.07555	0.6
128.06203	0.7
129.07004	6.2
131.08551	1.3
133.10101	3.5
135.11711	0.6
143.08559	3.2
145.10083	3.7
147.08102	0.9
147.11673	13.2
156.09404	0.6
161.09621	1.4
161.13211	3.7
163.06152	0.7
171.11668	9.5
189.12743	2.4
189.68034	0.6
207.13766	12.9
225.14874	0.7
235.22575	0.6
239.23755	1.3
277.46814	0.5
281.17429	43.9
313.27328	37.2
314.27823	0.9
519.40393	100.0
520.40460	2.8
537.41309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	0.5
67.05499	13.7
69.03424	2.2
69.07062	6.6
69.50004	1.4
69.50449	1.5
71.01308	0.5
71.04995	2.6
71.08626	17.7
73.02905	2.7
77.83357	0.3
79.05486	8.6
81.03409	26.8
81.07047	18.3
83.04970	7.0
83.08611	16.9
85.02897	18.4
85.06499	1.1
85.10172	11.0
86.88196	0.3
87.04415	0.8
89.05993	0.8
91.03951	5.2
91.05473	12.5
91.61559	0.3
93.07037	7.6
95.04961	11.3
95.08597	17.1
97.02884	5.5
97.06525	1.6
97.10155	4.4
99.04390	0.7
99.08059	0.6
99.11699	0.5
103.07553	0.7
105.07018	9.6
107.04942	3.2
107.08575	2.8
109.02852	0.8
109.06485	2.1
109.10149	6.1
111.04395	1.0
111.08073	5.3
111.11673	0.9
113.05959	1.4
113.13255	0.4
115.03896	0.4
115.05437	0.5
117.06947	0.8
119.08574	8.1
121.06455	0.6
121.09445	0.4
121.10131	4.2
123.07980	1.1
123.11688	2.8
124.24357	0.4
125.09582	0.5
127.03906	1.7
129.06999	5.5
131.08556	5.4
133.06424	1.5
133.10118	5.3
135.11606	0.6
137.09570	1.0
137.13213	1.3
142.07739	1.5
145.04927	1.9
145.10092	0.5
147.07991	1.3
147.11681	7.1
149.09602	2.4
154.00203	0.4
157.10127	6.9
163.06023	2.2
163.07256	0.4
163.11198	0.6
165.12703	1.3
165.16327	0.3
175.11194	8.0
193.12234	19.7
200.59203	0.3
211.13280	20.9
221.22528	0.4
239.23679	1.6
243.52831	0.3
257.24744	1.2
267.12943	0.6
267.15869	12.3
285.13657	0.5
285.16937	34.1
313.27335	65.8
314.27682	0.8
505.38864	18.1
523.39905	100.0
524.21051	0.4
524.40448	1.8
667.43427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.0
67.05492	16.3
69.03422	3.7
69.07054	8.2
69.24711	0.2
71.01331	0.4
71.04980	3.1
71.08620	17.8
73.02907	2.7
73.06551	0.3
75.04482	0.3
77.03923	0.3
79.05480	13.2
81.03404	37.8
81.07043	21.9
81.07418	0.2
81.07740	0.4
83.04970	8.9
83.08604	19.7
85.02889	26.1
85.06535	1.6
85.10168	9.7
86.03256	0.2
87.04461	0.6
89.06020	1.0
91.03941	7.1
91.05466	16.2
93.07030	10.4
95.04955	16.0
95.08591	17.6
96.04449	0.3
96.32185	0.3
96.63558	0.2
97.02872	7.0
97.06512	2.7
97.10155	5.3
97.73587	0.2
98.20634	0.3
99.04438	0.8
99.08079	0.9
99.11730	0.7
99.34333	0.2
101.02434	0.4
101.06005	0.3
101.47463	0.2
103.03927	0.3
103.05436	0.3
103.07539	0.6
105.04541	0.4
105.07011	11.9
107.04935	4.2
107.08577	4.1
109.02847	0.5
109.06499	3.1
109.09436	0.5
109.10142	6.8
111.04429	2.2
111.08064	7.4
111.11713	0.7
113.05986	1.3
115.03903	0.4
115.05424	0.8
117.06978	1.0
119.04951	0.4
119.08562	11.3
121.06474	0.7
121.10120	5.7
123.08060	1.8
123.11668	2.9
125.09599	0.7
125.13270	0.4
127.03893	2.5
127.07503	0.4
128.06207	0.4
129.06990	6.2
131.08546	7.2
133.06482	1.5
133.09106	0.5
133.10101	7.8
135.11661	0.5
137.09622	1.2
137.13214	0.9
142.07764	2.0
145.04926	2.6
145.10104	1.3
147.08052	2.3
147.11659	9.5
149.09593	4.4
151.11171	0.3
157.10104	9.6
163.05991	3.2
163.11142	0.6
165.12753	1.6
166.34302	0.3
175.11168	9.3
183.13654	0.2
184.07333	0.3
193.12209	28.1
211.13255	41.8
212.13596	0.3
239.23741	1.5
249.14952	0.5
257.24719	1.4
267.12933	0.6
267.15875	16.6
285.16913	59.1
286.17294	0.4
313.27310	63.2
314.27652	0.8
505.31213	0.5
505.38797	13.0
523.39856	100.0
524.40082	1.7
667.43408	0.7
706.03906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73634	0.4
65.03930	1.7
67.01854	0.9
67.05476	1.2
68.99776	9.2
70.07565	0.8
70.07959	0.7
71.05001	0.4
79.05469	0.5
81.03402	3.7
83.04970	0.8
85.02886	1.2
87.00822	0.4
89.03883	0.6
91.05457	1.3
95.04967	2.3
98.21057	0.8
99.04438	1.1
105.03382	1.9
107.01280	0.4
107.04955	2.1
109.02847	5.5
111.00784	10.0
111.04415	5.2
115.05456	1.1
117.03353	0.9
119.04926	2.4
121.02838	2.1
123.04408	43.0
124.04744	0.7
127.03897	100.0
128.04230	0.6
129.07027	0.4
131.04945	1.9
133.02831	2.1
133.06377	0.5
135.04396	32.0
136.04680	0.5
137.02303	2.4
137.05969	0.5
139.03879	65.9
140.04190	1.0
141.06967	0.7
143.04929	1.0
145.02798	0.5
145.06442	1.0
147.04387	13.0
149.02330	5.4
149.05948	1.1
151.03880	32.7
152.04401	0.5
153.01796	1.2
153.05502	0.9
153.06912	0.7
153.89832	0.4
155.03365	3.6
155.04662	0.7
157.06499	1.4
159.04395	3.1
161.02327	1.0
161.05960	3.9
163.03883	34.6
164.04192	0.5
165.05461	5.5
167.03429	4.0
167.04776	0.8
169.04947	2.1
169.06413	1.2
171.04378	1.7
173.02321	0.4
173.05943	3.3
175.03870	13.6
177.01825	0.7
177.05431	7.4
179.03369	33.6
181.04930	1.2
181.06441	0.7
183.04401	1.5
185.05952	2.5
187.03868	4.9
187.07436	0.7
189.05444	4.8
191.03358	9.5
191.07043	0.5
193.04907	2.5
197.05951	2.6
199.03870	3.0
199.07437	0.5
201.05460	6.6
203.03365	23.0
203.07011	1.2
205.04889	2.7
207.02844	0.9
207.06459	1.3
209.06068	0.6
211.03740	0.5
213.05441	5.0
215.03441	2.4
215.06989	1.9
217.04936	5.6
219.06493	1.4
221.04259	0.9
223.02330	1.6
225.05450	1.2
227.03415	1.3
227.06917	0.8
229.04913	8.3
231.02951	1.2
231.06429	2.5
233.04422	4.8
235.05869	0.5
237.05482	0.8
239.03355	0.4
241.04985	4.8
243.02905	0.9
243.06487	2.8
244.03650	0.9
245.04419	70.3
246.04814	1.2
247.05984	20.9
251.05464	1.1
253.04912	2.4
255.06450	2.7
257.04410	14.8
258.05060	1.4
259.05969	10.8
261.04047	0.4
261.07520	1.5
263.05457	23.2
265.04877	1.6
267.06433	0.6
269.04395	7.2
270.05154	0.6
271.05984	14.4
273.03940	0.8
273.07547	2.0
274.04593	2.5
275.05441	19.7
277.07013	1.4
279.06531	1.1
281.04410	2.5
283.05951	9.5
285.03897	2.3
285.07431	0.9
286.04562	0.9
287.05453	45.7
288.05881	1.1
289.07022	21.5
290.07318	0.5
291.08597	20.6
293.04358	0.8
295.05942	2.5
297.03955	1.7
297.07388	0.9
299.05460	8.0
301.07010	9.1
303.05002	1.4
303.08640	1.8
305.06546	12.1
306.05167	0.5
306.53421	0.4
307.05850	0.8
309.03903	1.5
309.07263	0.5
311.05441	2.1
313.07037	2.0
317.06519	2.4
319.06180	0.5
321.03973	0.8
321.07541	0.5
323.05508	2.2
327.04776	0.5
329.06607	0.7
331.08133	1.0
333.07431	0.4
335.05389	0.5
337.07040	0.8
339.04849	0.9
339.08594	0.7
341.06583	0.5
345.07376	0.4
349.07062	0.5
351.04901	2.1
361.07086	1.8
363.04800	0.7
365.06369	1.7
373.07098	0.5
377.06400	1.5
379.08221	3.0
383.07602	2.8
389.06516	2.6
391.07953	0.6
393.05927	3.8
394.06113	0.4
395.07571	1.8
397.09048	1.7
405.05997	4.1
407.07565	20.3
409.09128	17.3
411.10855	3.5
413.08838	3.2
417.05936	1.2
419.07458	3.2
421.08932	2.3
423.06943	3.5
425.08588	17.2
427.10223	16.1
427.16083	0.8
431.07767	0.8
433.08807	0.6
435.06519	1.3
435.11072	1.3
437.08670	4.5
439.10172	2.5
441.08072	1.3
443.09479	1.5
447.06882	0.5
449.08643	4.2
451.10410	2.0
453.07993	1.4
465.08185	1.0
467.09805	2.8
469.11044	0.6
527.09320	1.7
533.10846	2.2
539.09509	0.5
543.09009	1.2
545.10699	4.3
551.11523	1.7
557.10529	2.7
561.10303	1.6
563.11877	0.4
569.10297	0.7
575.11523	1.6
579.15057	6.0
587.11896	0.9
593.12921	2.7
595.13928	1.3
605.12262	0.7
695.13214	1.5
697.15295	1.8
713.14783	2.2
715.15857	0.9
731.15710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16313	0.6
65.03933	1.8
67.01868	0.8
67.05495	0.9
68.99780	11.1
69.03429	0.8
69.96291	1.2
69.96712	2.3
71.04978	0.8
71.22307	0.6
77.03928	1.0
79.05490	1.2
81.03407	4.3
83.04960	1.7
84.70798	0.6
85.02898	2.2
89.03896	1.7
91.05478	1.5
93.03403	0.9
95.04406	0.5
95.04932	3.0
95.13130	0.6
97.02901	0.8
98.21413	0.8
99.04416	0.8
103.05489	0.9
105.03359	1.5
107.04919	4.2
109.02853	5.2
111.00787	12.5
111.04417	8.9
115.05410	1.0
117.03376	0.9
119.04915	1.9
121.02850	2.4
123.04406	60.8
125.40208	0.6
127.03896	100.0
128.04237	1.0
129.06996	0.6
131.04865	3.7
133.02838	2.4
135.04398	42.7
136.04762	0.8
137.02324	4.0
137.06001	2.0
139.03877	81.9
140.04172	0.7
141.06999	1.1
143.04893	1.9
145.02837	1.5
145.06473	2.7
147.04381	10.9
149.02339	7.8
149.05940	1.8
150.03113	0.7
151.03879	38.9
153.01761	1.5
153.05392	0.9
155.03381	2.3
155.04893	1.9
157.06467	1.6
159.04459	2.8
161.02345	1.1
161.05933	5.1
163.03880	41.3
164.04239	0.9
165.01848	0.9
165.05457	7.8
167.03429	3.8
167.04649	0.9
169.04930	4.8
169.06468	1.8
171.04425	1.3
173.05989	5.3
175.03873	11.0
177.01756	1.2
177.05437	10.3
179.03369	44.2
180.03882	0.6
181.04945	2.4
181.06421	0.8
183.04347	3.2
185.05981	2.5
187.03856	5.3
189.05411	4.7
191.03349	13.7
191.07013	1.3
193.04930	3.2
197.05991	3.5
199.03877	2.4
200.04684	0.8
201.05435	11.1
203.03365	26.4
203.06937	1.9
205.04901	3.9
207.06485	1.7
211.03876	1.5
213.05435	5.8
215.03365	2.1
215.07001	2.8
217.04959	5.3
219.02995	1.3
219.06468	3.7
221.04457	1.5
223.02290	3.4
225.05412	2.5
227.03320	1.8
227.07082	0.7
229.04901	13.4
229.06992	1.0
230.05618	0.6
231.02800	0.9
231.06453	4.3
233.04463	5.6
235.02095	0.9
237.05417	1.2
239.06883	0.7
241.05029	3.5
243.02840	0.9
243.06490	3.5
245.04416	76.8
246.04784	1.2
247.05980	71.4
248.06334	1.2
251.05344	1.6
253.04861	3.6
255.06479	1.4
257.04373	20.8
258.05157	2.0
259.05951	6.7
261.03732	0.8
261.07516	2.5
263.05435	12.2
265.04810	1.0
269.04449	7.1
271.05978	21.5
272.06448	0.8
273.03802	1.0
273.07339	0.7
275.05447	29.1
281.04398	2.9
283.05988	3.3
285.03757	1.4
287.05457	51.1
288.05991	1.0
289.07037	17.5
291.08597	33.7
293.04413	0.8
295.05917	1.8
297.03992	2.9
299.05444	19.4
301.06842	2.6
303.05060	1.2
303.08508	1.5
305.06476	18.3
307.05847	1.9
309.03839	1.9
309.07281	0.9
311.05447	2.2
313.06955	1.1
315.04871	0.7
317.06497	16.5
321.07315	1.9
323.05301	2.6
327.04736	0.7
329.06506	2.0
331.05728	0.9
337.06686	1.0
339.04837	1.8
347.07477	2.2
349.06931	1.8
351.05005	3.0
361.06946	1.0
363.04865	1.0
365.06128	1.1
377.06284	2.2
379.07846	1.6
381.05704	1.1
385.49475	0.7
389.06274	1.2
391.07861	1.3
393.06064	4.5
395.07248	2.1
397.09143	8.9
399.06998	1.8
405.05899	7.9
407.07495	5.0
409.09018	9.1
413.08545	0.7
417.05573	1.0
419.07516	2.9
421.09045	1.2
423.07037	18.1
425.08612	22.9
427.10150	10.2
431.07144	1.0
433.08716	0.9
435.07040	3.4
437.08777	3.1
439.10031	1.1
441.08084	8.5
443.09677	16.8
447.07059	0.8
449.08658	3.5
451.09961	3.2
453.08051	6.9
455.09351	2.3
465.07623	1.3
467.09442	2.1
469.11563	1.2
527.09174	1.8
533.10175	2.6
539.09052	0.8
545.10663	4.4
551.11096	1.9
557.10803	3.4
571.12085	1.1
575.11761	2.8
577.12970	1.0
587.11133	1.1
589.12903	0.9
593.12372	1.7
595.05627	0.7
595.14276	11.4
679.14063	1.3
697.14349	2.3
713.14111	1.7
715.15662	2.3
731.14996	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	2.4
67.05502	1.9
68.99776	10.4
70.06586	1.2
71.61054	1.5
79.05481	1.0
81.02967	1.0
81.03404	5.0
83.04951	1.1
85.02885	2.5
89.03906	1.5
90.99010	0.8
91.05443	1.2
95.04971	2.5
105.03374	1.6
107.04929	3.0
109.02882	5.0
111.00793	11.5
111.04427	8.9
115.05453	0.7
117.03366	1.6
119.04946	2.0
121.02856	2.1
123.04411	56.6
127.03899	100.0
131.04907	2.7
133.02847	3.3
135.04396	39.0
137.02336	3.0
137.05904	1.0
139.03880	81.4
145.02806	1.1
145.06384	0.8
147.04385	12.3
149.02316	7.9
149.05937	1.7
150.03143	1.0
150.91960	0.7
151.03877	40.9
153.01817	1.9
155.03360	7.3
155.04739	1.6
157.06410	1.0
159.04396	3.8
161.02289	1.5
161.05975	2.8
163.03886	39.8
164.04230	1.2
165.01746	1.5
165.05502	5.6
165.06801	1.2
167.03441	4.4
167.32661	0.8
169.04956	3.5
169.06342	1.6
171.04408	2.5
173.05969	3.8
175.03868	11.9
176.04601	0.8
177.05457	7.2
179.03369	39.6
181.04906	2.0
183.04417	1.6
185.05989	2.7
187.03871	6.1
189.05466	4.5
191.03362	12.5
193.04961	4.1
197.06007	3.2
199.03893	3.9
201.05449	6.6
203.03365	23.8
203.05171	1.6
203.06999	2.3
205.04932	3.4
207.02689	1.0
207.06511	1.0
213.05443	5.3
215.03421	3.0
215.07091	2.0
217.04929	6.1
219.06508	2.6
221.04405	1.2
223.02238	1.9
227.03395	1.9
227.07047	1.1
229.04939	9.2
231.02963	1.8
231.06465	4.2
233.04382	4.3
235.02441	1.1
237.05547	1.3
241.04958	6.4
243.02882	1.8
243.06505	3.1
245.04414	82.7
246.04785	1.2
247.05986	29.7
251.05472	1.8
253.04874	4.0
255.06462	3.2
257.04428	21.7
258.05060	2.2
259.05960	14.5
261.04022	1.5
261.07568	3.1
263.05453	25.2
265.04739	1.2
269.04410	8.1
270.05118	1.4
271.05994	16.7
273.03754	2.1
273.07510	2.2
274.04739	3.9
275.05460	20.7
276.05652	0.9
277.07077	2.5
281.04474	2.8
283.05963	7.6
285.03839	2.8
287.05466	53.4
288.05768	1.2
289.07019	30.0
291.08615	21.7
295.06061	2.0
297.03912	3.2
299.05411	9.7
301.07010	12.8
303.05014	2.3
303.08511	2.5
305.06528	14.5
307.05814	1.7
309.03842	1.7
311.05533	3.1
313.07037	3.1
317.06613	4.4
323.05493	3.1
329.06207	1.6
331.08295	1.3
335.05347	1.1
349.07071	1.8
351.04932	3.1
361.07056	2.0
365.06479	2.3
377.06351	1.2
379.08066	3.6
383.07617	4.6
389.06540	2.9
391.08139	1.9
393.06107	4.3
395.07605	1.6
397.09271	1.7
405.05862	4.6
407.02133	1.4
407.07529	24.6
409.09189	17.8
411.10632	3.5
413.08545	4.0
417.05896	1.5
419.07437	3.3
421.09027	2.9
423.06866	4.5
425.08585	20.2
427.10254	19.7
431.08759	1.2
435.06650	2.0
437.08871	5.9
439.10315	2.7
441.07983	1.7
443.09647	4.0
449.08542	7.6
449.14236	1.3
451.10272	4.1
453.07513	1.3
467.09564	3.2
469.11121	2.1
527.09717	1.6
533.10651	3.5
543.09247	1.2
545.10498	4.7
551.11597	3.9
557.10272	2.7
561.10260	1.9
575.11902	1.9
579.15021	5.6
587.11322	2.1
593.12634	3.9
595.13867	2.7
605.12677	1.7
695.13422	1.5
697.15271	2.7
713.14697	2.7
715.15039	1.2
731.15405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.3
67.05496	0.7
68.99777	2.0
69.03416	4.8
69.49860	2.7
71.04983	11.6
73.02920	0.7
75.04465	0.7
75.56504	0.3
79.05478	0.9
81.03400	1.1
81.07034	0.4
83.04967	1.7
85.02890	19.1
87.04451	0.6
91.05473	0.6
93.03382	1.5
93.07042	0.3
95.04939	1.1
97.02879	2.6
98.20818	0.8
98.21442	0.6
99.04443	0.7
100.09528	0.3
100.75748	0.3
100.79008	0.3
103.05447	0.8
105.07001	0.6
107.04952	1.9
109.02860	1.0
111.00756	0.4
111.04422	6.2
115.81461	0.3
121.02885	0.6
121.06493	1.6
123.04401	0.9
125.05953	0.5
127.03900	1.3
129.05449	3.0
129.06947	0.6
131.04877	0.6
133.06487	0.8
135.04395	9.0
135.05392	0.6
137.02327	0.6
139.03879	100.0
140.04225	1.0
141.06851	0.3
145.04968	0.6
145.06471	0.6
147.04379	0.5
147.06488	0.8
149.05959	2.3
151.03874	7.2
153.01805	14.0
153.05463	0.8
155.04985	0.4
157.06479	0.7
159.04411	0.5
161.05945	1.2
163.03889	15.2
165.01808	0.7
165.05463	0.7
167.06992	0.6
171.04379	0.5
173.05984	0.8
175.03946	0.5
175.07526	0.4
176.04608	0.8
177.05429	5.3
179.03394	2.3
179.07072	0.5
181.01384	0.9
181.04926	25.4
183.02802	0.5
183.04344	0.5
184.05228	0.3
185.06009	1.2
187.03802	0.6
189.05437	3.7
191.03415	1.0
193.04886	1.8
195.02898	1.2
197.54767	0.3
199.03888	1.4
200.04648	0.8
201.05446	2.5
203.03412	0.6
203.06952	1.9
205.04930	26.5
206.05226	0.4
207.02818	1.9
207.06387	0.6
211.03896	0.9
211.16910	0.4
213.05367	1.6
215.03319	2.3
215.06882	0.5
217.04927	1.8
219.06483	0.4
223.03964	0.6
223.05940	0.8
225.05386	0.8
227.03377	1.2
227.07028	0.5
228.04150	0.9
229.04910	3.9
231.02899	1.4
231.06497	9.3
231.08794	0.5
235.02417	0.7
235.06061	1.2
237.05411	0.6
239.03346	0.7
241.04919	1.2
243.06528	1.1
245.04376	1.6
247.05981	2.8
249.07553	11.0
253.04951	1.1
255.02870	4.8
255.06386	0.6
256.03732	0.7
257.04349	2.4
259.05997	0.6
261.07690	0.4
265.04678	0.5
265.07111	0.8
267.02875	0.6
267.08600	10.4
269.04462	1.0
270.05255	0.4
271.05945	1.3
273.07471	0.6
279.06305	1.5
281.04422	0.7
283.08270	2.3
285.09634	24.0
286.10010	0.5
293.04453	0.9
295.02353	2.4
295.05927	1.0
297.07382	0.4
301.09161	5.6
307.05847	2.5
309.03915	0.4
309.07010	0.4
309.10062	0.6
313.03458	3.8
313.06870	0.7
315.08646	1.2
319.05939	2.0
321.03946	0.9
323.05515	0.5
327.10767	0.4
333.09503	0.4
335.05490	3.7
336.06232	0.4
337.07010	1.9
339.05127	0.5
347.05414	3.4
350.03894	0.3
351.05008	0.6
353.06439	2.6
355.65646	0.4
357.04013	0.7
363.04953	7.3
363.09915	0.6
365.06516	2.8
375.04926	2.2
375.10474	0.7
377.06525	1.0
379.04501	1.3
381.05957	15.8
387.05124	0.9
391.04462	6.6
392.04764	0.5
393.05994	4.2
393.11755	1.9
397.05582	0.6
403.04562	1.0
405.06134	0.7
407.03979	1.0
409.05475	46.8
410.05902	2.3
411.07349	0.7
411.12946	1.9
421.05472	11.1
422.06140	0.4
429.13885	1.4
433.05490	1.2
439.06549	39.1
440.06906	1.2
447.14804	1.0
451.06366	1.0
559.00806	0.5
559.08649	6.9
560.09039	0.7
571.08289	0.4
577.09674	11.6
583.08417	1.8
589.09833	0.9
601.09943	1.2
619.10687	0.8
625.09802	2.3
643.10376	1.2
667.10046	0.7
669.11896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
67.05499	15.7
69.03423	3.2
69.07059	3.7
70.82073	0.5
70.82404	1.0
71.01327	0.8
71.04988	3.7
73.02906	1.5
78.82677	0.4
79.05485	16.6
81.03409	81.5
81.06566	0.9
81.07048	19.4
83.04973	10.3
83.08611	22.0
85.02403	0.9
85.02894	11.7
85.06536	1.0
91.03950	2.6
91.05472	22.8
93.07031	12.9
95.04960	27.8
95.08596	7.9
97.02882	4.0
97.06509	2.5
97.10155	5.2
99.04456	0.8
99.08105	1.3
103.05496	0.5
105.07021	17.9
106.07345	0.4
107.04948	7.5
107.08580	8.5
109.02855	1.2
109.06511	4.9
109.10170	3.8
111.04430	2.5
111.08073	8.8
113.06028	0.9
115.05452	1.3
116.06205	0.5
117.06986	3.1
119.04918	1.3
119.08566	15.1
121.06487	4.2
121.10144	8.2
123.04400	1.2
123.08040	3.1
123.11679	0.9
125.06013	0.5
125.09606	4.2
127.03928	1.6
128.06195	0.9
129.06999	11.0
131.04890	1.3
131.07574	0.6
131.08563	11.6
131.19514	0.4
133.06451	3.8
133.09114	0.5
133.10106	8.3
133.11057	0.7
135.04404	0.9
135.08035	1.3
135.11693	1.0
137.05963	1.3
137.09616	1.9
139.03876	1.6
139.83134	0.4
141.06956	1.0
142.07782	2.1
143.08530	1.6
145.04846	0.8
145.06474	5.6
145.10075	3.0
147.04396	1.7
147.08034	4.6
147.11674	10.5
149.05940	0.6
149.09602	6.5
151.03903	0.8
151.07469	0.5
151.11121	0.9
153.09071	0.8
155.08549	1.5
157.06445	0.7
157.10112	14.5
159.08051	1.2
159.11656	0.9
161.05966	0.7
161.09560	0.9
163.03864	0.9
163.05994	1.1
163.11140	2.2
165.12752	2.0
167.08484	0.6
169.06500	0.7
169.10110	0.5
171.08069	1.5
171.11670	0.8
173.05984	0.5
173.09589	1.1
173.11742	0.6
175.11174	13.5
177.05518	0.6
177.12741	0.6
179.08472	0.6
180.95480	0.4
181.10075	0.7
183.08096	0.7
183.11658	0.5
185.09633	1.0
185.13246	0.8
187.11185	0.6
189.09148	0.4
189.11212	1.6
189.12711	1.0
193.12227	33.5
195.11697	1.3
197.09645	0.9
197.13214	1.4
199.11118	1.1
205.12164	1.3
209.13339	0.7
211.11272	1.0
211.13232	13.6
213.12737	0.8
215.14378	0.8
223.11234	0.8
223.13268	0.9
227.12595	1.0
227.14478	0.7
229.14252	1.2
231.13832	0.8
233.15359	1.2
235.11162	0.6
235.13205	0.8
237.12741	1.3
249.14905	1.8
255.13777	2.3
257.15369	1.0
259.13263	0.6
267.15887	100.0
268.16040	2.1
273.14807	5.4
281.15469	0.6
285.16940	11.6
301.14340	1.0
309.16940	1.2
315.83667	0.5
323.19864	0.7
328.81641	0.4
339.23230	1.4
341.21173	2.6
349.21521	2.9
357.24146	0.7
367.22617	6.4
369.66336	0.4
374.63779	0.5
377.24393	0.4
385.23694	9.8
403.24698	2.4
405.24231	0.7
415.25098	0.8
433.25836	16.2
434.26047	1.1
441.26385	8.1
442.26111	0.6
442.56903	0.5
459.27377	84.5
460.27768	3.6
477.28427	48.7
478.28699	2.1
491.29669	1.7
501.28296	1.6
509.30957	1.6
519.29626	2.6
543.29523	1.3
567.29413	0.9
577.23499	1.3
585.30566	2.8
603.31482	1.9
621.32904	0.9
724.28625	0.8
785.35541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38973	0.3
67.05501	3.0
69.03426	2.7
69.07073	1.2
71.01361	0.4
71.05000	0.9
71.08611	1.8
73.02913	3.7
78.61880	0.5
79.05479	2.6
81.03411	2.6
81.07055	4.1
83.04954	0.9
83.08624	1.1
85.02897	7.0
85.10177	0.7
87.04462	0.6
91.03941	4.6
91.05453	1.8
93.07042	2.5
95.04977	1.3
95.08602	2.2
97.02890	6.1
97.10160	0.4
99.04443	1.2
101.02394	1.6
105.07047	1.5
107.08604	1.1
109.02901	1.0
109.10165	1.4
111.04405	0.4
111.08088	0.3
112.96624	0.4
115.03938	0.7
119.08596	1.3
121.10165	0.9
123.11674	0.6
127.03902	1.7
131.08565	0.6
133.10172	1.4
145.04890	0.4
147.11719	0.6
149.13271	0.7
157.10139	1.0
159.11641	0.5
175.11191	0.7
185.04248	1.0
193.12315	1.3
203.05296	0.9
211.13329	0.7
243.08420	2.1
251.12694	0.6
269.17551	1.0
285.10257	0.5
287.11685	0.4
294.46127	0.4
307.15350	0.6
313.27585	1.0
335.25882	1.5
339.06110	0.4
347.09473	2.6
363.08862	0.5
365.10663	1.1
405.13660	5.9
405.18518	0.5
452.23853	0.5
455.23141	1.2
469.20450	9.2
497.30878	5.1
529.38940	2.7
631.25592	7.5
659.36115	4.1
725.44702	1.8
868.83063	0.4
887.49670	100.0
888.49713	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	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.8
67.05495	52.0
69.03433	1.9
69.07055	15.4
69.59800	7.0
71.04978	3.5
71.08601	1.2
73.02910	4.1
79.05485	30.9
81.03401	3.3
81.07044	67.1
83.04972	2.3
83.08603	10.5
85.02893	12.0
85.06523	2.8
91.03940	9.6
91.05460	21.2
93.07030	44.5
95.04940	4.5
95.08592	32.3
97.02879	5.9
97.06496	4.3
97.10142	2.0
99.04432	1.0
99.08074	2.0
105.07014	11.0
107.04955	0.9
107.08582	23.6
109.06480	1.3
109.10144	12.3
111.08060	2.5
117.06999	8.0
119.08553	6.7
121.06470	1.1
121.10129	16.5
123.11665	5.2
125.02663	0.9
125.09570	1.3
127.03892	4.0
131.08548	9.4
133.10109	12.9
135.08028	1.2
135.11671	12.9
135.63170	0.8
137.13243	0.9
137.46742	1.0
143.08498	1.4
145.04980	3.6
145.10091	4.9
146.94637	0.8
147.11716	3.8
149.09576	1.2
149.13237	11.8
151.11163	1.7
155.08603	0.9
157.10135	1.1
159.11671	8.5
161.13225	1.9
163.05991	3.9
163.14851	2.2
167.14355	0.9
173.13191	2.1
175.14824	0.9
177.12727	3.1
184.58638	0.7
195.13800	9.1
213.14703	1.6
219.97517	0.8
243.21068	2.3
253.17957	0.8
261.22141	8.3
263.77927	0.9
267.15976	1.2
269.17435	72.1
270.17651	1.3
281.22937	0.9
299.23471	1.1
317.24734	2.7
335.25748	58.0
336.26071	2.5
378.09384	0.8
393.03003	0.9
434.75165	0.9
437.34137	3.0
455.35248	2.4
473.36517	1.1
511.38062	3.8
529.38818	100.0
530.39258	4.3
547.39819	3.7
673.44031	1.7
888.49677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	0.6
67.05496	45.8
69.03374	1.7
69.07060	12.7
70.71923	1.5
71.01303	0.5
71.04987	2.2
71.08604	0.6
73.02873	2.0
75.81215	0.5
79.05485	26.5
79.94090	0.4
80.05738	0.4
81.03374	1.5
81.07046	52.7
83.04961	3.3
83.08614	8.2
85.02898	8.0
85.06529	2.8
87.04440	0.8
91.03480	0.5
91.03944	6.2
91.05466	12.6
93.07030	43.7
94.07337	0.7
95.04961	4.1
95.08593	23.2
96.04474	0.6
97.02882	3.7
97.06007	0.5
97.06519	6.0
97.10146	1.5
99.04412	0.6
99.08060	2.1
99.96824	0.5
102.96534	0.4
105.06370	0.7
105.07020	9.1
107.04938	0.7
107.08581	23.6
109.06470	1.6
109.10135	8.6
110.13274	0.4
111.08073	3.7
111.11690	0.7
113.09588	0.6
114.03770	0.5
117.06328	0.5
117.07006	6.9
119.08566	6.4
121.06480	0.6
121.10126	18.2
123.08075	0.5
123.11712	3.1
127.03851	1.1
131.08553	8.8
133.10117	6.9
135.10669	0.7
135.11678	9.6
139.11151	1.3
145.04950	1.8
145.10046	3.0
147.11679	4.0
148.50945	0.5
149.13231	20.9
157.10020	0.7
159.11682	10.7
161.09570	0.5
161.13216	2.0
163.05957	1.9
163.14813	1.8
167.14250	0.8
171.11513	0.7
173.13239	2.5
175.14732	0.8
177.12706	3.5
177.16270	0.5
185.13272	0.6
187.14813	1.0
195.13785	7.2
213.14812	1.1
243.21014	3.1
255.06334	0.5
259.20450	0.6
261.22076	8.5
267.15829	2.9
269.17441	98.2
270.17770	2.3
317.24689	1.5
335.25748	50.5
336.26230	1.2
347.09497	0.6
437.34052	2.0
455.35214	1.5
470.20819	0.6
474.22672	0.5
511.37836	0.9
529.38824	100.0
530.39197	4.9
547.39801	3.2
616.53723	0.5
673.42731	0.5
882.74591	0.5
888.49677	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	891.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.2
67.84100	0.5
69.03422	3.4
69.07047	0.8
69.43793	4.3
71.04982	1.6
73.02907	2.9
79.05505	2.5
79.05890	0.4
81.03407	4.4
81.07037	2.3
83.04971	0.9
83.08623	1.5
85.02896	7.4
87.04488	0.6
91.03946	3.4
91.05463	2.5
93.07055	1.9
95.04967	2.5
95.08598	1.2
97.02892	5.2
97.06517	0.6
97.10241	0.5
101.02402	1.5
105.07036	2.6
107.04942	0.6
107.08578	1.4
109.02885	1.0
109.06509	0.8
111.04461	0.5
111.08047	0.8
119.08587	1.9
121.10177	0.9
123.04434	0.6
127.03906	2.2
129.07011	1.2
131.08560	1.7
133.10149	1.5
135.08057	0.5
137.02304	0.5
137.06003	0.8
139.03897	2.4
145.05028	0.5
145.10117	0.7
147.08086	0.5
147.11714	1.4
149.09653	1.4
157.10153	0.9
161.09668	0.6
163.03894	0.6
175.11191	1.3
193.12234	2.5
195.86363	0.5
203.05304	0.9
211.13332	0.8
216.97115	0.5
243.08588	1.3
267.16074	1.5
269.12375	0.6
283.15207	2.6
307.15228	0.8
339.17789	0.8
347.09378	2.6
363.08768	0.5
365.10516	0.8
405.13556	4.9
469.20367	8.3
490.51065	0.4
501.23041	9.0
631.25677	7.0
663.28247	7.7
729.36975	3.6
891.41840	100.0
892.42505	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	895.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.8
67.05491	9.3
69.03070	0.6
69.03417	8.0
69.06712	0.9
69.07057	15.7
69.91024	2.1
69.91448	1.6
71.01330	1.7
71.04978	0.9
73.02908	17.8
79.05481	9.7
81.03403	1.0
81.07042	21.3
82.07322	0.7
83.04966	6.6
83.08602	4.4
85.02890	8.5
85.06533	1.1
91.05463	20.6
92.05730	0.7
93.07027	23.1
95.01298	5.0
95.04954	6.6
95.08589	31.7
97.02874	10.7
97.06506	3.5
97.10127	2.2
99.00792	0.6
103.03895	0.7
103.05431	2.1
105.04491	0.7
105.07012	31.1
107.04915	2.3
107.08574	40.7
108.08884	0.7
109.02847	0.7
109.06506	4.8
109.10136	18.2
110.10512	0.7
111.04398	0.6
111.08081	1.3
111.11686	1.1
113.02316	1.3
115.03912	5.6
115.04565	0.8
115.05354	2.7
116.06220	1.1
117.07001	7.8
119.04914	0.6
119.08559	37.8
121.06489	6.3
121.10122	29.8
123.04397	0.8
123.08038	4.0
123.11685	10.9
125.09615	0.7
128.06152	3.5
129.06987	7.9
130.07736	2.0
131.03378	0.9
131.04877	1.1
131.08543	26.8
132.05659	0.6
133.04874	1.3
133.06461	3.6
133.10106	39.3
135.08026	7.1
135.11671	22.5
137.05930	2.1
137.09581	1.8
137.13205	3.4
139.03888	1.2
139.11081	1.0
141.01807	13.1
141.05531	0.5
141.06940	2.9
142.07770	4.8
143.08528	11.7
144.05678	1.1
144.09294	1.8
145.06464	6.4
145.10100	36.6
146.00215	0.5
146.07216	3.7
146.10469	0.9
147.08025	19.1
147.11656	17.6
149.05934	2.2
149.09602	14.0
149.13228	8.5
151.07500	2.0
151.11111	1.7
151.14809	0.8
153.06987	1.2
154.07738	1.6
155.08530	9.8
156.09325	5.2
157.05165	0.6
157.06470	1.2
157.10101	14.5
158.07262	2.8
158.10817	1.8
159.02853	1.4
159.08037	21.1
159.11644	18.4
160.08722	1.0
160.12383	1.0
161.05928	1.4
161.09598	30.8
161.13220	12.5
162.10004	0.7
163.07527	5.1
163.11154	3.4
163.14751	4.6
165.06947	1.8
165.09070	9.0
166.07753	0.9
167.07289	0.6
167.08521	4.3
168.09283	2.2
169.06512	0.9
169.08682	1.2
169.10085	8.3
170.10812	2.9
171.08009	4.1
171.11664	11.5
172.08815	2.5
172.12360	1.4
173.06039	1.1
173.09602	14.9
173.13225	12.1
174.10202	1.0
174.13997	0.7
175.07524	6.0
175.11168	5.3
175.14777	7.2
177.09062	6.7
177.12680	1.8
177.16339	2.6
179.08511	1.6
179.10663	1.5
180.09335	1.1
181.10112	2.8
182.10864	5.9
183.08095	4.6
183.11676	8.2
184.08789	1.4
185.09561	4.9
185.13191	10.1
186.10323	2.6
186.13853	1.2
187.07538	7.0
187.09012	0.9
187.09572	0.8
187.11142	7.0
187.14784	16.4
189.09053	2.2
189.12732	4.9
189.16342	19.2
190.16954	1.3
191.10628	1.9
191.14276	2.0
191.17905	37.5
192.09299	0.9
192.18233	0.9
193.08551	0.7
193.10095	2.0
193.11946	0.7
194.10825	1.5
195.08017	1.8
195.11678	6.1
196.12276	1.1
197.09505	2.9
197.13222	15.9
198.10347	2.7
198.13818	0.9
199.07501	0.6
199.11183	6.2
199.14778	4.7
200.11916	1.5
201.09065	3.2
201.12694	9.2
201.16350	7.2
203.10629	1.6
203.14313	8.4
203.17944	13.8
205.12180	2.2
205.15855	1.7
205.19466	2.6
207.11647	4.4
207.17424	2.1
209.13223	3.7
210.10333	2.7
211.11098	2.1
211.14816	4.2
212.11896	0.8
213.09213	0.6
213.12706	10.9
213.16237	3.4
214.13144	0.7
215.11002	1.1
215.14294	23.9
215.17615	4.4
216.14601	1.1
217.12216	5.3
217.15753	2.2
217.19490	4.0
219.10010	1.1
219.13690	3.4
219.17307	0.8
220.12276	0.8
221.13174	2.1
222.14032	0.7
223.11159	1.3
223.12914	0.7
223.14861	3.0
225.12714	9.3
225.16168	2.8
227.14282	2.8
227.17842	4.4
229.12257	2.8
229.15811	1.8
229.19460	6.2
231.11676	0.9
231.13745	20.3
231.17326	0.9
233.11603	1.3
233.15318	10.1
235.14787	2.5
236.15366	0.8
237.12662	1.1
237.16350	3.3
239.14232	1.7
239.17844	1.6
241.12009	0.9
241.15764	2.1
241.19489	2.9
243.13766	32.3
243.17532	1.9
243.20929	1.2
244.14055	0.9
245.15292	3.3
247.13040	1.0
247.16954	0.9
249.14517	6.3
251.17978	4.6
253.15834	2.3
253.19499	2.4
255.17502	1.4
255.20917	2.8
256.21783	1.5
257.15356	1.3
257.19006	0.9
257.22583	7.7
261.14767	32.8
263.17932	1.4
265.14362	2.4
265.19427	1.7
267.17349	2.3
269.18930	2.0
271.16888	0.8
273.06161	0.7
275.18008	0.6
277.14536	0.7
277.19467	0.7
279.15848	100.0
280.16064	2.9
281.18869	1.7
283.17078	1.1
283.20453	1.6
285.18433	2.2
291.20975	0.9
293.19080	0.8
295.17053	0.9
297.18546	2.7
299.20053	1.5
301.18036	0.9
305.22464	1.0
307.20599	0.8
309.18369	0.6
309.22104	0.7
311.19852	1.7
317.22662	1.1
319.20743	1.1
321.22089	0.8
329.21075	1.0
331.24078	1.3
335.23477	1.2
349.25095	1.3
361.19937	1.1
375.26416	0.9
375.30490	1.8
377.31946	1.2
385.28876	1.2
387.30405	14.1
388.30630	1.1
391.29861	1.3
393.31671	0.8
397.28854	1.2
403.29922	9.3
405.31448	21.9
406.31940	1.0
415.29880	6.7
421.30927	13.1
423.32483	5.0
433.30951	25.2
434.31436	1.7
439.32056	3.0
451.31998	40.1
452.32135	1.9
457.32483	0.8
458.24054	0.6
469.33081	35.7
470.33432	2.9
472.36847	0.7
487.34048	17.8
488.34573	1.3
581.34552	2.2
597.34137	1.0
599.35181	1.6
609.33484	1.0
615.34784	2.3
627.34918	3.0
645.36444	3.1
663.36884	1.0
713.38696	4.8
731.40479	2.7
747.39294	6.1
759.39349	5.1
777.40247	11.0
778.40186	1.2
872.32397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
67.01857	0.7
67.05487	1.1
68.99779	11.1
69.90031	0.7
69.90325	4.1
71.04982	0.7
72.38912	0.6
81.03400	4.6
83.04974	1.0
84.34842	0.6
85.02880	1.4
89.03935	0.6
91.05470	1.3
95.04964	1.8
97.02894	0.7
98.21394	1.0
99.04443	1.3
105.03368	1.5
107.04945	1.2
109.02853	6.1
111.00790	14.1
111.04412	3.6
115.05461	1.0
119.04927	2.9
121.02811	1.5
123.03696	0.7
123.04413	35.7
127.03899	100.0
128.04216	1.1
131.04910	1.5
133.02820	4.3
133.06462	1.0
135.04402	5.4
137.02345	0.7
139.03885	83.3
140.04228	1.1
145.06479	1.1
147.04390	12.4
149.02301	4.9
149.05959	1.1
151.03885	49.5
152.04439	0.7
153.01810	2.4
153.05472	1.1
154.70610	0.7
155.03383	8.4
157.06537	0.8
159.04414	2.0
161.02339	1.8
161.06000	3.7
163.03897	10.8
165.05470	7.9
167.03427	3.1
169.04953	4.4
169.06332	1.1
171.04414	2.6
173.02466	0.9
173.06000	2.1
175.03885	16.6
177.05447	10.9
179.03371	66.2
180.03818	0.8
181.04968	1.1
181.06502	0.9
183.04375	1.0
185.05910	1.8
187.03871	2.5
189.05437	6.2
191.03363	9.8
193.04887	3.4
197.05977	1.9
199.03915	4.9
201.05467	4.1
203.03369	28.4
205.04964	2.0
207.06459	1.4
213.05431	6.0
215.03304	2.5
217.04932	8.7
219.02940	1.2
219.06512	2.6
221.04439	1.8
223.02330	2.1
225.05545	1.4
227.03439	1.7
229.04930	6.8
230.05484	0.8
231.02974	0.7
231.06404	4.0
233.04404	6.2
235.02454	0.8
235.05928	1.2
239.03391	1.0
241.04872	4.8
243.06493	1.0
245.04431	70.7
246.04842	1.6
247.05983	5.5
251.05551	2.0
253.04930	1.9
255.06458	1.0
257.04398	18.1
257.07010	1.1
258.05151	2.1
259.05884	5.6
263.05475	46.3
264.05853	0.8
265.04974	1.1
269.04465	7.7
271.05972	4.9
273.03763	0.8
274.04657	0.8
275.05460	23.8
277.07077	2.9
277.13724	0.8
281.04462	2.8
283.05963	2.4
285.03992	1.6
287.05463	67.9
288.05841	1.9
289.07031	2.7
291.08588	28.6
295.05917	0.9
297.03940	1.6
297.07401	1.0
299.05450	18.4
301.07028	1.0
303.05124	1.4
303.08719	1.4
305.06531	30.0
309.03857	0.8
311.05389	3.5
317.06537	17.8
321.04080	0.8
321.07391	1.0
323.05499	2.0
325.06711	0.7
327.05051	1.3
329.06586	1.6
333.09836	0.7
335.05457	1.1
337.07068	1.0
339.04919	1.7
347.07730	1.8
349.07047	1.5
351.04880	1.8
359.05450	1.1
361.07117	0.9
377.06631	1.2
381.05954	1.1
389.06458	0.9
393.06058	3.9
395.07501	2.5
405.05914	5.6
407.07422	1.0
409.09119	6.4
411.07172	1.8
413.08594	7.1
417.06174	1.6
419.07864	0.9
423.07013	16.6
424.07300	0.8
425.08606	16.1
427.10141	8.5
435.06964	3.8
437.08560	1.7
441.08151	13.0
443.09604	19.3
447.07001	2.1
451.10263	2.8
453.08105	4.3
455.09305	2.5
465.08270	3.5
465.14349	0.7
469.10974	1.6
543.09027	2.3
545.10663	1.0
549.10144	1.5
561.10156	2.9
567.11176	2.6
569.11517	0.7
573.09894	2.1
587.12262	1.0
591.10797	1.9
595.14270	8.5
603.10925	0.9
605.12299	1.0
609.12396	1.1
693.10645	0.8
695.13153	1.0
713.14673	1.9
731.15875	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	900.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.7
67.05499	30.0
69.03416	0.8
69.07060	6.5
70.90546	1.0
71.04980	1.3
71.08624	0.6
72.82871	0.3
73.02915	1.1
73.06546	0.8
75.85867	0.4
77.87721	0.3
79.05489	33.4
81.03411	2.6
81.07050	28.2
83.04974	5.2
83.08627	3.8
85.02911	2.8
85.06551	1.3
91.03979	1.7
91.05473	23.3
93.07037	35.2
93.67541	0.3
95.04962	9.5
95.08601	21.1
97.02891	2.0
97.06526	1.5
97.10159	1.6
99.08057	0.6
105.04527	0.4
105.07022	16.8
107.04956	2.3
107.08586	12.0
109.06529	2.5
109.10147	6.6
111.08083	1.0
113.09606	0.4
115.05446	0.7
117.07011	4.1
119.08572	11.0
121.06502	0.9
121.10142	7.6
121.10998	0.5
123.08041	1.9
123.11699	1.8
127.03915	0.6
127.07546	0.4
128.06224	1.2
129.06992	6.2
131.08568	4.0
133.06474	0.5
133.10117	7.1
135.07993	0.5
135.11671	5.0
137.09637	0.5
137.13390	0.4
143.08566	3.2
145.04968	0.8
145.10101	4.9
147.08022	1.0
147.11670	12.4
149.13278	2.5
156.09357	0.5
157.10072	0.4
159.11751	2.3
161.09645	1.4
161.13251	5.6
163.06024	0.8
163.11188	0.7
163.14816	0.8
169.12634	0.3
171.11674	7.1
173.13330	1.1
175.14783	0.7
177.16347	0.4
179.14424	0.4
182.32402	0.3
187.14824	1.0
189.12724	2.4
207.13788	7.3
218.58891	0.3
243.21068	1.2
261.22122	3.4
267.15369	0.4
279.16049	1.3
281.17459	24.6
282.17981	0.7
283.19025	0.3
303.04843	0.3
313.27463	0.5
317.24759	1.1
335.25766	34.3
336.26215	0.9
449.34283	0.6
467.35242	0.5
523.38232	0.6
541.38867	100.0
542.39142	2.7
559.39911	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	900.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.6
67.05493	39.6
69.03413	1.3
69.07059	9.2
69.43102	4.5
71.04977	1.7
73.02894	1.2
73.06539	1.1
77.03916	0.8
79.05479	48.3
81.03415	4.4
81.07042	37.6
83.04966	7.3
83.08598	5.2
85.02877	4.4
85.06538	1.5
87.08123	0.6
88.82098	0.6
91.03930	2.1
91.05467	33.8
93.07028	48.4
94.22986	0.5
95.04956	12.6
95.08593	27.8
97.02895	2.3
97.06499	2.7
97.10163	2.5
98.21558	1.0
99.08080	0.6
103.05426	0.7
105.04508	0.9
105.07011	23.0
107.04932	3.0
107.08579	17.3
108.08966	0.6
109.06481	3.4
109.10138	8.5
109.10811	0.7
111.08060	1.4
113.17381	0.6
115.05439	0.7
117.06993	6.7
119.08559	18.0
121.06515	1.8
121.10117	9.9
123.08039	3.7
123.11686	2.0
127.03873	1.0
127.07557	1.2
128.06192	0.9
129.06987	9.8
131.08551	5.6
133.06468	0.7
133.10112	8.1
135.08055	0.7
135.11679	5.4
139.91144	0.5
143.08548	4.5
145.04915	1.0
145.10098	7.7
147.07999	1.0
147.11652	21.3
148.12099	0.7
148.88097	0.6
149.13240	1.9
151.11145	0.8
159.11684	2.5
161.09584	2.6
161.13225	7.1
163.05983	0.8
163.11159	0.8
163.14813	1.5
171.11665	14.3
173.13249	1.8
175.14905	0.8
189.12727	5.4
194.89719	0.6
207.13760	17.0
227.35405	0.6
234.36060	0.6
243.21101	1.0
258.22394	0.6
261.22144	4.7
279.15948	3.1
281.17432	60.7
282.17792	0.7
317.24899	1.2
333.24188	0.8
335.25739	39.7
336.26208	0.7
369.19318	0.6
404.55887	0.6
449.34314	0.8
467.35260	0.9
485.35971	0.7
523.38214	0.7
541.38794	100.0
542.39160	5.3
559.39838	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	902.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69843	0.9
67.05498	33.7
69.03423	1.8
69.07054	9.5
71.04971	3.2
71.08613	1.6
73.02901	3.2
79.05481	28.9
81.03411	10.2
81.07047	41.4
83.01337	3.9
83.04971	7.1
83.08601	11.2
85.02895	15.3
85.06539	1.7
91.03933	9.2
91.04352	0.8
91.05469	16.7
92.06837	1.0
93.07030	39.6
95.04963	5.6
95.08595	27.6
97.02890	8.4
97.06522	4.7
97.10150	4.5
97.68143	1.1
98.21485	3.0
99.04453	2.0
99.08087	1.1
105.07014	16.5
107.04928	4.9
107.08582	23.1
109.06490	6.5
109.10137	13.0
111.04392	1.4
111.08072	3.5
117.07005	8.5
119.08561	12.1
121.06493	1.8
121.10125	14.3
123.08092	6.2
123.11710	5.2
125.05999	1.3
125.09637	2.4
127.03914	3.6
129.07059	1.5
131.08551	9.5
132.08887	0.9
133.10117	7.9
135.08037	1.4
135.11668	17.4
137.09631	2.6
137.13289	1.4
143.08469	1.1
145.04974	5.6
145.10098	17.9
147.08055	2.1
147.11699	4.8
149.09590	1.5
149.13174	4.7
151.11110	1.1
153.12708	2.0
159.11671	4.3
161.13252	3.0
163.05995	6.2
163.11171	16.2
163.14815	5.1
173.09572	2.0
173.13242	5.1
177.16367	1.1
181.12215	3.8
187.14789	2.4
189.11238	1.6
191.10651	2.6
193.12161	1.8
202.65799	0.9
209.11673	4.6
211.13217	2.1
227.12758	11.7
227.20070	1.4
243.21115	4.4
259.20462	1.9
260.34775	1.2
261.22104	14.6
267.15976	5.8
268.16223	1.3
283.15372	86.3
284.15817	1.5
297.22107	1.0
299.23770	5.6
313.27347	3.3
314.27759	3.0
317.24771	3.4
333.24292	2.3
335.25769	84.4
336.26016	2.8
396.04016	0.9
413.76563	1.2
415.30359	1.2
425.18018	1.3
426.18344	1.5
433.30801	1.8
451.31845	3.6
469.33081	4.5
487.34082	1.6
506.39111	2.3
525.35779	8.0
543.36755	100.0
544.37067	2.7
561.37683	6.7
840.57990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69843	0.9
67.05498	33.7
69.03423	1.8
69.07054	9.5
71.04971	3.2
71.08613	1.6
73.02901	3.2
79.05481	28.9
81.03411	10.2
81.07047	41.4
83.01337	3.9
83.04971	7.1
83.08601	11.2
85.02895	15.3
85.06539	1.7
91.03933	9.2
91.04352	0.8
91.05469	16.7
92.06837	1.0
93.07030	39.6
95.04963	5.6
95.08595	27.6
97.02890	8.4
97.06522	4.7
97.10150	4.5
97.68143	1.1
98.21485	3.0
99.04453	2.0
99.08087	1.1
105.07014	16.5
107.04928	4.9
107.08582	23.1
109.06490	6.5
109.10137	13.0
111.04392	1.4
111.08072	3.5
117.07005	8.5
119.08561	12.1
121.06493	1.8
121.10125	14.3
123.08092	6.2
123.11710	5.2
125.05999	1.3
125.09637	2.4
127.03914	3.6
129.07059	1.5
131.08551	9.5
132.08887	0.9
133.10117	7.9
135.08037	1.4
135.11668	17.4
137.09631	2.6
137.13289	1.4
143.08469	1.1
145.04974	5.6
145.10098	17.9
147.08055	2.1
147.11699	4.8
149.09590	1.5
149.13174	4.7
151.11110	1.1
153.12708	2.0
159.11671	4.3
161.13252	3.0
163.05995	6.2
163.11171	16.2
163.14815	5.1
173.09572	2.0
173.13242	5.1
177.16367	1.1
181.12215	3.8
187.14789	2.4
189.11238	1.6
191.10651	2.6
193.12161	1.8
202.65799	0.9
209.11673	4.6
211.13217	2.1
227.12758	11.7
227.20070	1.4
243.21115	4.4
259.20462	1.9
260.34775	1.2
261.22104	14.6
267.15976	5.8
268.16223	1.3
283.15372	86.3
284.15817	1.5
297.22107	1.0
299.23770	5.6
313.27347	3.3
314.27759	3.0
317.24771	3.4
333.24292	2.3
335.25769	84.4
336.26016	2.8
396.04016	0.9
413.76563	1.2
415.30359	1.2
425.18018	1.3
426.18344	1.5
433.30801	1.8
451.31845	3.6
469.33081	4.5
487.34082	1.6
506.39111	2.3
525.35779	8.0
543.36755	100.0
544.37067	2.7
561.37683	6.7
840.57990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	2.4
67.05492	35.1
69.03406	2.4
69.07054	9.2
69.55492	1.2
69.55892	6.0
71.01356	1.3
71.04972	4.4
71.08628	1.0
73.02915	4.5
79.05481	29.2
81.03401	12.5
81.07043	42.0
83.01320	6.7
83.04970	7.6
83.08607	11.7
85.02425	1.2
85.02892	16.6
91.03946	11.8
91.04881	1.0
91.05469	20.4
93.07032	40.2
95.04951	8.2
95.08591	28.3
97.02883	9.3
97.06489	5.0
97.10152	3.8
99.04400	2.6
99.08092	1.2
105.07014	15.0
107.04944	6.7
107.08581	23.9
109.02841	1.2
109.06515	6.6
109.10139	12.6
111.04404	1.8
111.08058	2.7
112.37180	0.9
117.07011	9.7
119.08561	12.0
121.06462	3.2
121.10123	16.0
123.08055	7.5
123.11735	4.4
125.09583	3.2
127.03873	3.9
129.06976	2.7
131.08554	10.1
133.10104	7.3
135.08005	2.4
135.11678	16.8
136.06136	0.9
137.09583	2.2
137.13289	1.2
143.08513	1.6
145.04988	4.5
145.06436	0.9
145.10100	18.0
147.07971	2.0
147.11668	4.6
149.09572	0.9
149.13239	4.4
151.11130	1.0
153.12672	2.2
155.08577	1.7
157.10120	1.3
159.11681	5.5
161.13222	3.0
163.06058	5.0
163.11151	19.1
163.14761	3.9
171.11649	1.0
173.09592	2.9
173.13203	4.5
175.14803	1.3
180.84355	1.0
181.12202	2.1
185.13155	1.1
187.14842	2.7
189.11221	3.7
190.74387	0.9
191.10617	2.8
193.12199	2.6
209.11690	6.9
210.67088	0.8
211.13226	1.1
227.12715	12.5
237.39005	0.9
243.21080	4.1
259.20657	2.2
261.22092	12.1
267.15833	3.6
268.16269	1.2
277.21500	1.2
283.15356	100.0
284.15768	1.3
285.16800	1.5
299.23669	5.1
313.27319	3.5
317.24606	4.0
333.24091	2.2
335.25742	67.5
423.33020	1.0
433.30884	2.4
451.32199	4.3
469.33066	3.8
487.33896	1.2
505.38391	1.2
506.38693	1.7
507.39752	1.6
515.37408	1.2
525.35773	9.0
543.36761	65.3
544.36749	1.7
561.37665	5.8
902.46191	1.2
903.47638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.0
67.05493	39.8
69.03421	3.9
69.07055	10.2
70.13294	1.8
71.01323	0.4
71.04979	4.2
73.02899	2.8
73.06512	0.4
73.27035	0.3
77.03908	0.5
79.05481	32.0
81.03404	43.9
81.07042	43.6
83.04481	0.4
83.04967	11.2
83.08604	18.8
85.02889	27.3
85.06521	2.3
87.04434	0.4
91.03396	0.5
91.03939	7.8
91.05465	31.4
92.05773	0.3
93.07027	31.7
94.07465	0.3
95.04953	21.4
95.08589	27.9
97.02876	7.7
97.06502	3.8
97.10148	4.3
98.21166	0.7
99.04391	1.1
99.08063	1.3
101.05979	0.6
103.05386	0.6
105.04522	0.4
105.07012	22.9
107.04942	5.0
107.08578	15.6
109.02809	1.0
109.06506	4.4
109.10136	11.0
111.04432	1.7
111.07346	0.6
111.08059	7.0
113.06001	1.9
115.03923	0.4
115.05413	1.4
117.06994	4.2
119.04860	0.5
119.08562	19.0
121.06455	0.9
121.10124	15.8
123.08049	2.6
123.11693	4.9
124.66345	0.4
125.09595	1.7
127.03905	2.2
127.07504	0.8
128.06122	0.6
129.06990	8.5
131.08545	13.3
133.06470	2.5
133.10110	12.8
135.08005	0.4
135.11665	7.3
137.09564	1.3
137.13199	1.1
139.11192	0.7
139.39316	0.3
142.07745	2.1
143.08510	1.3
144.06535	0.5
145.04939	2.9
145.10095	5.7
147.08015	2.8
147.11661	14.3
149.09587	4.6
149.13234	3.6
151.11142	0.6
153.12689	0.4
155.08482	0.4
157.10104	12.3
159.11638	2.7
159.62646	0.4
160.18298	0.3
161.13202	2.4
163.05980	3.0
163.11122	1.1
163.14825	1.6
165.12801	1.9
169.10098	0.6
171.11644	0.9
173.13228	2.8
175.09735	0.7
175.11160	10.3
175.14754	1.6
177.12654	0.6
177.16357	0.5
180.08762	0.4
185.13254	0.4
187.14809	1.2
189.11230	0.6
193.12209	36.0
197.13214	0.4
201.16405	0.7
211.13255	57.3
219.17273	0.4
227.12698	1.3
229.14352	0.7
243.21033	2.5
249.14838	0.3
261.22104	7.9
267.15851	10.4
268.16071	0.4
269.17453	0.5
283.15085	0.6
285.16913	68.9
301.25140	0.9
317.24695	2.1
335.25745	58.7
336.25967	0.7
417.31662	0.8
418.51819	0.4
435.32684	2.2
453.33633	2.3
471.34778	1.2
506.89661	0.4
509.36017	1.0
527.37213	14.4
545.38281	100.0
546.38763	1.5
563.39368	1.1
588.01270	0.4
689.41711	0.5
843.00098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	1.1
67.05495	37.2
69.03425	4.1
69.07059	9.5
70.68409	0.8
70.68814	0.7
71.01318	0.4
71.04980	2.7
71.08592	0.3
73.02546	0.3
73.02900	2.8
79.05481	31.0
81.03407	36.0
81.07044	40.8
83.04970	8.3
83.08607	14.6
85.02892	22.4
85.06524	2.1
87.04448	0.5
91.03947	5.4
91.05470	24.7
93.07029	32.4
95.04958	17.8
95.08591	28.5
97.02290	0.4
97.02873	7.1
97.06519	3.3
97.10150	4.0
98.21181	0.5
99.04427	0.6
99.08031	1.1
99.78270	0.4
105.04442	0.4
105.07017	19.1
107.04948	4.1
107.08578	17.3
109.02819	0.5
109.06509	3.7
109.10136	10.8
111.04390	1.4
111.07368	0.4
111.08067	7.1
111.11653	0.4
113.05918	1.6
115.03895	0.5
115.05410	0.8
117.06987	3.4
119.08559	16.8
121.06454	1.3
121.10126	16.3
121.10973	0.4
123.08049	2.1
123.11693	4.2
123.51785	0.3
125.09556	1.3
127.03886	1.7
127.07535	0.6
128.06139	0.4
129.06984	6.9
131.08554	11.9
133.06483	2.3
133.10117	11.8
135.08031	0.7
135.10667	0.5
135.11667	7.7
137.09641	1.7
137.13179	1.2
139.11240	0.4
141.07014	0.4
142.07724	1.5
143.08513	0.7
145.04913	2.5
145.10085	5.8
146.89786	0.3
147.08057	1.8
147.11668	12.4
149.09581	3.5
149.13228	3.6
151.11130	0.8
151.14851	0.4
155.08527	0.5
157.10101	8.6
159.11661	3.6
161.13246	2.7
163.05969	2.7
163.11115	0.8
163.14824	1.7
165.12794	2.4
169.10149	0.3
171.11609	0.4
173.13234	2.3
175.11163	10.6
175.12697	0.6
175.14720	0.9
183.11685	0.5
185.13223	0.5
187.14735	1.4
192.35251	0.4
193.12218	25.8
201.16428	0.7
211.13257	30.9
215.17772	0.3
219.17300	0.4
227.12726	0.6
243.21039	2.9
249.14746	0.5
250.66597	0.4
259.20523	0.6
261.22119	8.6
267.15869	9.9
285.16916	42.2
299.71530	0.3
301.25186	0.9
303.23151	0.5
317.24756	1.7
335.25754	61.0
336.26108	0.6
342.57114	0.4
377.64755	0.4
421.25955	0.5
435.32492	1.5
453.33398	1.8
471.34698	0.8
491.34637	0.4
509.36298	0.7
527.37250	12.5
545.38300	100.0
546.38843	2.2
563.39575	0.8
689.42175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07194	0.2
67.05502	2.4
69.03423	3.1
69.07070	0.8
69.35507	2.6
71.01344	0.8
71.05002	0.6
73.02908	3.4
79.05482	1.8
81.03411	2.8
81.07056	2.1
83.04968	0.7
83.08631	0.6
85.02894	7.0
87.04456	0.5
91.03937	3.6
91.05463	2.2
93.07010	1.9
95.04971	1.0
95.08607	1.8
97.02882	6.0
97.06540	0.4
98.20683	0.5
99.04476	0.8
105.07017	1.4
107.04982	0.4
107.08604	0.8
108.16149	0.2
109.02905	0.6
109.06549	0.4
109.10145	0.6
111.08080	0.4
115.03928	0.4
117.07005	0.4
117.65037	0.2
118.45894	0.2
119.08609	1.0
121.10159	0.9
123.11710	0.3
127.03893	2.0
129.07066	0.4
131.08603	0.7
133.10161	1.0
135.11789	0.4
141.86209	0.2
142.70665	0.2
147.11716	0.6
157.10179	0.6
159.11713	0.3
175.11223	0.8
183.06612	0.3
185.04283	0.9
193.12323	0.9
203.05431	0.8
211.13316	0.5
217.98553	0.3
243.08400	2.1
251.12617	0.6
307.15228	0.7
319.66074	0.2
335.25897	0.3
347.09497	2.3
363.09155	0.6
365.10477	1.2
405.13660	6.4
469.20364	8.4
519.29230	4.0
631.25647	6.8
681.34521	4.2
747.42456	1.6
909.48059	100.0
910.48071	3.1
942.22296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07194	0.2
67.05502	2.4
69.03423	3.1
69.07070	0.8
69.35507	2.6
71.01344	0.8
71.05002	0.6
73.02908	3.4
79.05482	1.8
81.03411	2.8
81.07056	2.1
83.04968	0.7
83.08631	0.6
85.02894	7.0
87.04456	0.5
91.03937	3.6
91.05463	2.2
93.07010	1.9
95.04971	1.0
95.08607	1.8
97.02882	6.0
97.06540	0.4
98.20683	0.5
99.04476	0.8
105.07017	1.4
107.04982	0.4
107.08604	0.8
108.16149	0.2
109.02905	0.6
109.06549	0.4
109.10145	0.6
111.08080	0.4
115.03928	0.4
117.07005	0.4
117.65037	0.2
118.45894	0.2
119.08609	1.0
121.10159	0.9
123.11710	0.3
127.03893	2.0
129.07066	0.4
131.08603	0.7
133.10161	1.0
135.11789	0.4
141.86209	0.2
142.70665	0.2
147.11716	0.6
157.10179	0.6
159.11713	0.3
175.11223	0.8
183.06612	0.3
185.04283	0.9
193.12323	0.9
203.05431	0.8
211.13316	0.5
217.98553	0.3
243.08400	2.1
251.12617	0.6
307.15228	0.7
319.66074	0.2
335.25897	0.3
347.09497	2.3
363.09155	0.6
365.10477	1.2
405.13660	6.4
469.20364	8.4
519.29230	4.0
631.25647	6.8
681.34521	4.2
747.42456	1.6
909.48059	100.0
910.48071	3.1
942.22296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05159	1.0
67.05498	13.2
69.03414	3.3
69.07066	6.5
69.67609	4.6
69.68015	1.7
71.04987	1.8
71.08620	13.8
73.02904	2.2
79.05486	9.1
81.03409	32.2
81.07048	18.1
83.04974	7.6
83.08608	15.4
85.02898	19.5
85.10168	8.4
91.03968	4.2
91.05471	12.5
93.07034	7.2
95.04956	14.2
95.08032	1.3
95.08592	12.5
97.02879	5.7
97.06493	2.1
97.10170	4.1
98.21387	1.1
105.07016	9.4
107.04942	3.1
107.08573	3.0
109.06462	2.3
109.10157	5.7
111.04436	1.9
111.08054	5.4
111.11689	1.3
113.05961	0.9
117.06958	1.1
119.08554	8.4
121.06451	1.0
121.10117	4.6
121.46870	0.8
123.08031	1.4
123.11658	3.0
127.03893	1.7
129.06993	5.6
131.08562	5.5
133.10110	6.0
142.07747	1.5
145.04919	2.9
145.10089	1.1
147.08035	1.5
147.11656	7.6
149.09576	3.7
152.55844	0.9
157.10114	7.2
163.05969	2.3
165.12724	1.6
175.11174	8.6
177.30183	0.8
193.10402	0.9
193.12213	23.7
211.13277	36.8
267.15884	14.9
285.16922	54.5
285.27930	1.0
286.17233	1.0
341.30463	55.2
342.30820	0.9
533.41968	13.3
534.42065	0.8
546.75995	0.9
551.43018	100.0
552.43085	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	914.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.2
66.60082	0.3
67.05498	14.4
69.03417	0.9
69.07060	9.1
70.30667	1.8
71.04987	0.7
73.02898	0.3
79.05486	16.8
81.03417	3.2
81.07048	16.9
82.39982	0.4
83.04974	4.6
83.08608	2.6
85.02895	1.0
85.06537	0.8
91.05473	20.2
93.07036	17.4
95.01317	2.1
95.04956	6.9
95.08600	11.5
97.02884	0.7
97.06523	15.0
97.10162	0.9
98.21010	0.7
103.05419	0.4
105.07021	25.5
107.04950	5.1
107.08573	6.6
109.06514	2.0
109.10154	2.9
110.10540	0.4
111.08084	0.5
113.09652	0.4
115.05435	0.6
117.07011	4.3
119.08573	13.0
119.09435	0.7
121.06499	1.4
121.10152	3.1
123.04420	0.4
123.08045	2.3
123.11716	0.6
125.09628	0.7
128.06226	0.7
129.06990	3.9
131.08551	6.5
133.06497	0.5
133.10117	13.8
135.08026	1.0
135.11731	2.1
137.09618	1.3
139.07562	0.8
141.07037	0.5
143.08553	2.6
145.06445	0.8
145.10124	5.7
147.08080	0.9
147.11671	9.9
149.09612	3.1
149.13242	1.3
151.11194	0.9
155.08571	1.0
157.10146	0.9
159.08159	0.4
159.11679	2.9
160.30812	0.4
161.09576	0.8
161.13240	3.9
163.11183	2.0
165.09155	0.7
165.12685	0.4
169.10094	0.7
171.11674	5.6
173.13271	1.4
177.12770	1.2
179.14279	4.0
183.11717	0.7
184.07365	0.4
187.11198	0.8
189.12726	1.6
197.13248	0.5
205.12242	0.5
207.13795	3.2
229.19542	0.8
238.72511	0.4
239.17941	0.7
241.14322	0.4
247.20679	0.8
257.18982	1.3
259.20636	1.1
263.16333	0.6
275.20038	23.6
279.15833	2.5
281.17441	19.2
293.21036	1.7
349.23685	10.6
367.24445	0.4
377.22974	0.5
537.35529	2.0
555.36768	100.0
556.37390	3.2
573.37811	2.4
699.40869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	10.0
69.03393	2.2
69.07056	7.0
69.47499	4.8
71.04960	1.2
71.08620	17.9
73.02894	1.5
79.05481	5.5
81.03407	52.8
81.07047	14.4
83.04970	2.9
83.08610	21.6
85.02897	5.5
85.06532	0.7
85.10176	11.9
89.06010	1.0
91.03951	3.9
91.04970	0.6
91.05466	8.9
93.06565	0.4
93.07040	4.4
95.04961	16.8
95.08591	14.9
97.02872	3.9
97.06472	1.2
97.10169	5.2
98.20643	0.9
99.08084	0.6
99.11718	0.6
103.07553	0.9
104.74050	0.5
105.07011	6.8
107.04950	3.3
107.08569	2.4
109.06517	2.8
109.10148	7.2
111.04398	1.5
111.08052	4.7
111.11693	1.3
117.06986	0.9
119.04942	0.7
119.07816	0.5
119.08565	8.6
121.06473	1.9
121.10117	3.5
123.04374	1.2
123.08038	1.0
123.11710	2.7
125.09618	0.6
127.03854	1.6
129.06992	5.7
131.07747	0.5
131.08574	5.8
133.06430	1.9
133.10075	2.2
135.08046	0.6
137.09561	1.5
137.13191	1.6
142.07732	1.4
144.98235	0.5
145.04907	1.5
145.10062	1.9
147.04301	0.8
147.08017	2.1
147.11652	6.1
149.09598	3.0
157.10115	7.3
163.06062	2.8
163.07181	0.5
163.11183	1.0
165.12669	1.1
175.11153	7.3
193.12215	24.5
207.13864	0.7
211.13297	1.4
235.13246	1.6
239.23647	2.0
245.38699	0.5
249.14859	1.6
257.24680	2.8
259.13272	1.7
267.15878	100.0
268.16293	0.8
272.55829	0.6
273.14786	1.4
299.18451	0.6
301.14349	1.9
309.16949	2.9
313.27328	95.1
314.27762	1.2
319.15430	0.9
333.17197	0.6
353.33582	0.5
375.17929	1.0
381.73279	0.5
437.72827	0.5
505.38828	83.3
506.39163	1.8
523.39996	3.3
547.39740	6.0
565.41357	1.1
589.41107	0.6
601.41034	1.9
613.14124	0.6
613.40985	1.4
631.41638	2.8
649.42615	1.6
844.69623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.6
67.05495	53.8
69.03419	2.4
69.07060	13.4
70.06589	1.2
71.04990	3.2
71.08645	0.7
71.62918	1.2
73.02903	1.3
73.06549	0.9
77.03924	1.2
79.05482	69.1
81.03408	9.3
81.07044	52.0
83.04968	10.6
83.08607	8.7
83.52302	0.6
85.02896	4.9
85.06557	3.5
85.06990	0.6
85.85060	0.6
86.09694	1.7
91.03934	2.3
91.05466	74.6
93.07031	75.2
95.04955	21.2
95.08591	34.9
97.02866	3.2
97.06520	4.8
97.10160	3.9
99.08071	2.5
103.05508	0.9
105.04509	1.8
105.07015	67.7
107.04939	7.3
107.08581	28.2
109.02837	0.6
109.06503	6.5
109.10139	9.6
111.08067	2.4
113.09659	0.7
115.05441	2.1
117.06993	19.5
119.08563	53.9
121.06487	3.0
121.10117	14.2
123.04409	0.6
123.08054	5.8
123.11689	2.0
125.09628	1.0
128.06212	3.2
129.05521	1.3
129.06990	21.6
130.07817	1.3
131.08543	22.3
133.06477	1.6
133.10114	37.8
135.08049	2.1
135.11674	13.1
137.09581	1.7
137.13219	0.6
141.06984	2.2
142.07761	1.4
143.08539	13.5
145.04964	1.5
145.06538	0.9
145.10101	23.2
147.08035	3.1
147.11664	54.7
149.09610	2.4
149.13229	8.1
151.11145	1.4
155.08475	3.0
156.09303	1.6
157.10117	8.1
159.11676	15.4
161.08405	0.7
161.09621	4.3
161.13240	31.9
163.11197	2.2
163.14796	2.4
167.08582	1.1
169.10089	3.7
171.11665	25.9
171.13118	1.4
172.05103	0.8
172.12003	0.8
173.13231	9.8
175.11218	0.9
175.14786	9.5
177.12723	2.6
179.14320	1.3
181.10100	1.1
183.11743	3.1
185.13257	8.5
187.11183	1.4
187.14838	1.7
189.12683	7.7
189.16359	0.8
191.14268	1.2
195.11794	1.1
195.13797	1.1
197.13190	1.2
199.14781	3.9
201.16377	1.7
203.14250	0.9
207.11853	1.5
207.13766	16.0
211.14876	1.2
213.16364	2.2
215.17932	1.6
217.15871	0.8
217.19537	1.0
231.17447	1.2
231.21043	4.2
239.17967	1.1
241.14308	1.5
241.19489	21.4
243.21109	1.7
247.17035	0.7
257.18961	2.6
259.20541	55.3
261.22147	2.3
275.20023	0.8
279.12817	1.1
279.15860	19.2
280.16379	0.7
281.17429	64.7
282.18048	1.2
283.19058	1.4
295.20422	0.9
297.16769	1.3
309.22076	0.9
313.21573	0.8
315.23166	3.8
331.22565	2.0
333.24182	36.7
334.24539	1.0
339.23218	0.9
429.31512	1.7
437.34052	0.9
447.32385	8.2
465.33823	5.5
483.34418	4.2
501.36017	1.0
511.38303	1.0
521.36072	4.4
529.38800	3.1
539.37250	100.0
540.37921	3.3
557.38318	33.8
558.38776	1.1
581.38770	0.8
647.39111	2.5
665.40955	1.1
683.41565	1.7
701.42249	2.2
907.60242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.1
67.05495	40.0
69.03423	3.6
69.07059	10.6
71.04977	4.4
71.62800	1.2
73.02901	2.7
77.03893	0.8
79.05480	37.0
81.03407	34.0
81.03899	0.8
81.07044	37.8
83.04967	10.2
83.08605	14.9
84.92184	0.9
85.02891	19.6
85.06526	3.6
85.35630	0.8
87.04455	0.8
89.17506	0.7
91.03950	4.3
91.05467	54.3
91.29387	0.7
93.07027	42.0
95.04952	19.4
95.08591	24.7
95.09215	0.7
97.02866	5.9
97.06512	5.7
97.10159	4.3
99.04474	1.0
99.08088	2.9
103.05489	1.3
105.07014	54.0
107.04945	5.7
107.08575	21.6
109.02837	1.0
109.06497	5.2
109.10148	10.1
111.04429	2.3
111.08080	5.9
113.06013	1.6
113.09617	1.6
115.05437	2.2
117.07005	13.3
119.08562	45.3
121.06491	2.0
121.10126	20.1
123.08057	3.2
123.11696	4.0
125.09603	3.6
127.03893	2.6
128.06194	2.2
129.05475	1.0
129.06979	16.2
129.07893	1.2
130.07820	0.8
131.08548	23.6
133.06471	1.9
133.10114	38.0
135.08037	1.8
135.11674	12.8
137.09612	2.4
137.13200	0.8
139.11226	0.8
141.06955	1.3
142.07791	2.8
143.08530	8.4
145.04958	1.5
145.10092	17.5
147.08063	3.2
147.11667	35.3
149.09601	6.4
149.13245	6.8
151.11127	1.7
155.08539	2.8
157.10106	16.6
159.11665	13.7
161.09625	0.8
161.13226	18.6
163.06023	1.7
163.11171	3.4
163.14857	1.7
165.12762	1.7
169.10143	2.5
171.11682	10.2
173.09570	1.0
173.13237	7.7
175.11183	7.8
175.14778	8.6
177.12813	1.0
181.09984	1.0
181.12192	0.9
183.11720	2.4
185.09628	0.8
185.13210	8.7
187.08565	0.9
187.14815	2.2
189.11188	0.9
189.12756	0.9
189.16414	0.7
191.10612	1.4
193.12225	22.5
195.11647	1.6
197.13295	2.5
199.13139	1.1
199.14796	5.4
201.16359	1.5
209.13264	1.2
210.14151	0.7
211.13246	26.7
213.16393	1.8
215.17883	0.8
217.15814	1.1
223.14780	1.3
227.12801	3.2
227.18167	0.8
229.14339	2.6
231.21049	4.1
239.18044	0.8
241.19508	19.2
243.15875	1.1
243.21179	0.9
257.19019	1.7
259.20535	57.1
260.21112	0.9
261.22116	2.0
265.14438	1.2
267.15915	14.4
269.14886	0.9
269.17566	2.6
275.20093	1.4
277.21609	1.4
283.15512	2.4
283.20563	1.4
285.16913	41.1
297.22040	1.4
299.23755	1.5
301.21512	1.5
313.21622	1.4
315.23166	5.7
325.21448	1.2
331.22647	1.0
333.24176	46.1
334.24606	1.4
335.25900	1.2
351.25357	0.8
371.25793	1.1
385.23404	1.1
388.12683	0.8
390.99197	0.9
415.29898	1.7
421.25818	1.9
423.32388	0.9
433.30933	6.1
435.27466	1.0
449.29269	1.0
451.32074	8.1
469.33160	3.0
487.34100	1.1
489.33533	1.3
499.32974	0.9
507.34564	3.7
515.37360	4.0
525.35699	36.0
526.36212	1.3
543.36743	100.0
544.36816	3.0
561.37665	4.4
577.36578	0.8
651.38580	2.1
669.39441	1.9
687.40985	2.3
705.41479	1.6
913.51923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	2.1
67.05496	35.9
67.05859	1.8
69.03410	4.6
69.07061	12.8
69.74126	2.5
69.74538	5.2
71.04975	4.6
73.02892	3.5
79.05481	36.4
81.03405	33.5
81.07044	42.0
83.04970	12.0
83.08611	16.4
85.02893	23.4
85.06520	2.5
91.03934	3.9
91.05466	51.8
93.07029	40.6
95.04961	17.7
95.08592	24.4
96.37956	1.1
97.02860	5.8
97.06518	3.5
97.10147	3.6
98.20911	2.6
105.07013	51.0
107.04939	5.4
107.08575	21.9
109.06488	3.9
109.10126	9.4
111.04472	1.6
111.08059	7.8
115.05419	1.7
117.06998	14.8
119.08563	42.1
121.06506	2.3
121.10129	17.8
123.08041	4.2
123.11662	3.7
125.09592	3.3
127.03873	2.5
128.06168	1.8
129.05469	1.6
129.06978	15.1
131.08549	22.3
133.10110	34.2
135.08093	1.7
135.11676	12.6
137.09631	2.4
141.07013	1.6
142.07738	4.7
143.08539	9.1
145.06381	2.1
145.10088	14.6
147.07957	2.0
147.11658	31.4
147.12770	2.2
149.09630	6.1
149.13263	7.4
151.11209	1.6
155.08539	2.4
157.10095	15.0
159.11653	15.1
161.13240	18.0
163.06062	1.5
163.11201	2.5
163.14781	2.1
165.12744	2.6
169.10066	3.2
171.11661	10.2
173.13293	7.0
175.11143	7.5
175.14809	8.0
183.11774	3.2
183.67844	1.3
185.13214	6.6
187.14761	1.6
193.12219	22.7
199.14799	4.7
211.13235	26.1
213.16406	1.7
227.12703	2.2
229.14206	1.4
231.21025	3.4
241.19490	18.3
257.19043	3.5
259.20535	59.3
261.22076	2.2
267.15891	16.2
269.17532	2.5
275.20059	3.2
277.21701	2.1
283.15384	2.7
285.16904	37.6
285.21768	1.7
297.22043	2.1
315.23151	7.9
333.24182	44.4
335.25574	1.7
349.23962	1.5
433.30969	6.0
451.31812	9.0
463.30206	1.7
469.32993	4.3
487.33707	1.8
507.34723	3.9
515.37158	3.2
525.35675	33.4
526.35974	1.8
543.36737	100.0
544.36938	3.4
555.35413	1.4
561.37885	7.5
651.38800	3.0
669.39722	2.1
687.40741	2.5
705.42090	1.7
794.29907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.6
67.05497	47.1
69.03410	2.7
69.07060	10.6
71.04986	18.7
71.08637	0.6
71.61735	0.5
71.62110	0.6
73.02914	2.0
73.06548	0.7
79.05486	27.1
81.03409	1.3
81.07049	76.5
83.04987	3.0
83.08606	7.1
85.02890	10.2
85.06531	6.9
87.04465	1.0
91.03959	5.3
91.04881	1.0
91.05468	21.4
93.07033	31.2
95.04965	4.1
95.08595	23.2
97.02890	4.7
97.06527	5.0
97.10175	2.7
99.08084	1.1
101.02351	0.6
105.07021	12.9
107.08582	18.2
109.06523	1.7
109.10145	10.7
111.08092	1.8
117.06991	4.0
118.81204	0.6
119.08567	9.2
121.10130	12.9
123.08099	0.6
123.11696	10.5
125.09595	0.8
127.03917	2.4
127.07587	0.7
129.07007	0.9
131.08563	8.0
133.10118	19.1
135.11667	9.9
137.13246	0.8
143.08568	1.0
145.04942	2.5
145.10104	4.6
146.15453	0.6
147.11682	4.6
149.09593	0.6
149.13237	6.4
151.11153	7.5
153.12737	1.8
157.10109	0.9
159.11667	7.5
161.13248	3.5
163.06033	3.3
165.12729	0.9
169.12274	1.0
171.11699	0.9
173.13242	2.9
175.14822	1.6
177.12752	2.2
179.14311	0.7
183.11627	0.7
183.13829	2.6
185.13319	1.5
187.13310	4.0
187.14886	2.0
195.13815	1.7
197.13199	0.6
199.14981	0.7
201.14804	1.0
225.14743	0.6
227.16422	2.7
243.21214	0.6
253.17828	0.9
257.17474	2.0
259.20572	1.0
261.22272	1.9
269.17447	6.0
301.20047	18.7
317.24850	0.7
335.25775	16.7
393.31293	0.7
411.32709	1.5
419.33221	1.0
437.34070	2.8
445.23981	1.4
455.35199	1.4
485.36203	4.4
503.37268	79.1
504.37695	2.3
511.37854	2.7
517.38928	3.4
529.38812	34.2
530.38867	1.3
547.39325	1.1
561.41431	100.0
562.41742	4.8
673.43109	1.1
705.45538	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.5
67.05495	40.4
67.22313	0.4
69.03418	2.0
69.07061	6.8
70.90701	1.5
70.91053	0.6
71.04985	13.1
73.02917	1.7
77.03872	0.6
79.05482	23.0
81.03409	1.0
81.07047	63.0
83.04969	2.5
83.08607	5.8
85.02892	7.2
85.06547	4.6
87.15289	0.5
91.03939	4.0
91.05468	16.7
93.07031	24.6
95.04963	2.6
95.08593	20.9
97.02877	4.5
97.06535	2.7
97.10147	1.7
99.04438	0.6
99.08101	0.9
105.07015	10.6
107.08572	14.9
109.02843	0.5
109.06476	0.6
109.10143	7.3
111.08058	1.4
113.09592	0.6
117.07015	3.8
119.08567	6.5
121.10131	11.7
123.08088	1.5
123.11694	11.5
125.09611	0.9
127.03897	1.5
131.08551	6.6
133.10118	14.3
133.11073	1.1
135.11670	8.3
137.05258	0.5
143.08488	0.8
145.04980	1.4
145.10109	2.8
147.11664	2.8
149.13242	5.3
151.11154	5.0
157.10010	0.5
159.11674	4.4
161.13179	2.6
163.05977	1.9
163.14893	0.6
173.13248	2.6
175.14839	1.2
177.12660	1.1
183.13806	2.0
185.13274	0.6
187.13298	3.0
187.14787	1.1
195.13828	1.1
227.16356	1.2
243.15840	0.6
243.21327	0.7
257.17456	0.8
259.20764	0.9
261.22128	2.2
269.17395	4.0
301.20047	9.1
335.25748	21.3
335.29816	1.1
411.32590	0.9
471.45990	0.6
485.36374	2.5
503.37262	64.6
504.37592	2.3
511.37744	1.5
517.38965	2.2
529.38855	15.9
547.39795	1.0
561.41431	100.0
562.42041	4.0
673.43109	0.7
705.45557	2.1
952.00970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.0
67.05167	0.7
67.05499	9.9
67.57724	0.6
69.03419	7.3
69.06710	1.0
69.07062	13.6
69.48402	5.5
71.01331	1.9
71.04971	1.4
73.02890	2.6
75.04481	0.8
77.03932	0.6
78.91859	0.6
79.05489	9.5
79.72454	0.7
81.03410	3.2
81.07047	20.5
83.04975	6.4
83.08611	5.3
85.02896	33.0
85.06557	0.7
87.04465	1.0
91.03930	2.0
91.05469	18.3
93.07034	22.0
95.00750	0.8
95.01318	10.0
95.04958	5.3
95.08598	32.8
97.02879	13.5
97.06519	4.2
97.10155	2.4
99.00815	0.9
99.04445	1.1
101.02374	0.7
103.03948	1.5
103.05436	1.4
105.07021	31.6
107.04891	1.6
107.08582	36.7
109.02865	2.6
109.06512	3.9
109.10145	19.0
109.14775	0.6
111.04388	1.0
111.08043	2.0
111.11660	0.6
113.02330	2.2
115.03913	0.6
115.05435	1.8
115.36418	0.6
116.06200	1.5
117.06993	6.6
119.04932	0.7
119.08567	38.5
121.06492	5.7
121.10134	30.6
123.08103	4.2
123.11699	10.9
127.03920	7.7
128.06197	3.6
129.07007	5.9
130.07761	2.4
131.03386	1.6
131.04898	0.9
131.07567	1.4
131.08560	27.7
133.06464	3.5
133.10118	36.5
135.08057	6.6
135.10655	1.2
135.11684	24.0
137.05951	1.3
137.09563	2.4
137.13199	5.0
141.01813	27.2
141.05409	0.8
141.06969	2.8
142.07759	4.5
143.08553	10.9
144.09299	1.8
145.04962	10.6
145.06425	5.4
145.10107	38.0
146.07230	2.7
147.08043	19.6
147.11678	15.0
149.05907	1.5
149.09604	12.8
149.13231	8.4
151.07510	3.0
151.11151	2.2
151.14792	1.1
153.06969	1.7
154.07755	1.5
155.08522	9.9
156.09314	4.9
157.06442	1.1
157.10118	14.3
158.07219	1.8
158.10870	1.6
159.02870	3.3
159.08041	19.7
159.11673	19.0
160.08702	1.1
160.12352	1.0
161.09607	31.4
161.13228	9.9
163.05991	3.5
163.07513	5.6
163.11159	2.6
163.14835	4.0
165.06958	1.4
165.09090	7.3
165.12840	0.9
166.07759	1.2
167.08502	3.6
168.09351	1.5
169.06535	0.6
169.08684	1.1
169.10086	8.6
170.10852	2.8
171.08002	4.3
171.11670	10.5
172.08797	3.6
172.12444	1.4
173.09618	14.6
173.13254	10.8
174.10234	1.0
175.07527	4.9
175.11133	4.0
175.14803	8.5
177.09116	7.1
177.12730	2.1
177.16370	2.2
179.08566	1.3
179.10654	1.4
180.09299	0.8
181.10124	3.6
182.10873	5.2
183.06609	0.7
183.08022	3.9
183.11652	7.4
184.08836	1.2
184.12384	1.1
185.09554	4.6
185.13228	10.3
186.10326	2.5
186.13863	0.8
187.07536	5.4
187.11192	8.4
187.14806	15.9
189.09073	2.3
189.12740	5.3
189.16362	20.5
190.16881	0.8
191.10626	2.7
191.14284	2.2
191.17926	40.7
192.09322	1.1
193.08560	0.8
193.10136	2.4
194.10788	1.3
195.08052	2.1
195.11662	5.4
197.09537	1.9
197.13242	14.9
198.10457	3.6
199.11165	4.4
199.14790	5.9
200.11862	1.1
201.09061	4.1
201.12750	9.6
201.16376	7.4
203.10559	0.8
203.14316	9.3
203.17928	14.7
205.12227	2.3
205.15811	2.2
205.19556	0.9
206.10825	1.1
207.11685	4.5
207.13553	1.1
207.17393	2.9
209.13266	4.3
210.10333	2.2
211.11195	1.6
211.14746	3.7
212.11861	0.7
213.09250	0.9
213.12753	11.9
213.16316	4.3
215.10847	1.3
215.14294	26.8
215.17708	5.5
217.12210	5.5
217.15825	2.0
217.19389	4.0
219.10136	1.6
219.13689	4.3
219.21053	1.1
221.13261	2.6
222.13913	0.9
223.14755	2.6
225.12711	11.0
225.16174	3.2
227.11044	0.7
227.14261	2.5
227.17838	3.6
229.12215	2.2
229.15813	1.3
229.19470	5.0
231.11887	0.7
231.13762	20.8
233.11555	1.1
233.13371	0.8
233.15314	9.4
235.14859	2.6
237.12744	1.0
237.16406	2.7
239.14218	1.8
239.17862	2.2
241.15974	1.5
241.19563	2.2
243.13788	36.5
243.17543	1.4
243.20978	1.1
245.15373	3.8
247.13142	1.9
249.14862	4.1
251.14294	1.6
251.18048	4.6
253.16025	1.5
253.19492	2.4
255.17441	1.3
255.21095	2.9
256.21762	1.1
257.15442	1.0
257.22647	5.7
261.14780	35.2
263.18042	1.2
265.16147	1.0
265.19400	1.4
267.17361	2.9
267.21094	1.1
269.15417	0.8
269.18881	1.9
269.22607	0.7
271.16971	1.4
271.20428	1.1
275.17883	0.8
277.15948	0.9
277.19351	0.9
279.15869	100.0
280.16226	2.1
281.19449	0.8
285.18698	1.1
285.22046	1.0
289.19476	1.1
291.17511	0.9
291.20895	1.3
293.18936	1.3
295.16919	0.9
295.20572	0.8
297.18430	1.9
299.20111	1.4
305.22592	1.0
307.20453	1.2
311.19885	1.0
313.17841	1.4
315.19574	1.5
319.20532	0.8
321.08023	1.6
329.21063	1.4
331.24124	1.4
335.23663	1.0
337.21466	1.0
345.25699	1.0
349.25238	1.0
357.25916	0.8
375.26523	0.9
375.30753	1.5
377.31998	1.1
387.30408	13.9
388.30765	1.1
397.28876	1.2
403.29968	7.4
404.30576	0.7
405.31467	21.6
406.31860	1.2
415.29898	9.2
421.30960	10.6
423.32666	4.4
427.74893	0.7
433.30997	29.5
434.31317	0.9
439.32205	4.2
451.32068	42.6
452.32257	2.3
469.33096	36.1
470.33670	1.7
487.34164	17.6
581.34320	2.1
599.35321	0.8
609.33740	1.0
627.34961	1.0
645.36334	1.0
743.40094	3.5
759.38281	0.9
761.40186	1.7
771.38916	1.0
789.40027	4.3
807.41565	11.8
808.40613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01862	1.5
67.05493	0.3
68.99778	2.0
69.03413	2.1
71.01337	0.3
71.04980	15.2
73.02905	1.8
75.04451	0.7
81.03388	0.6
82.32585	0.2
83.04970	3.7
85.02890	17.3
87.04461	0.6
95.04953	0.8
97.02867	0.6
97.06520	0.3
98.21499	0.4
99.04449	0.9
101.06043	0.2
107.04902	0.2
108.98084	0.2
109.02844	0.5
111.00807	1.0
111.04421	2.7
113.05967	0.3
117.05502	1.4
121.02841	0.4
123.04436	0.5
127.03908	1.3
128.49867	0.2
129.01831	0.2
129.05463	4.9
133.02933	0.2
135.04387	0.6
137.02322	1.0
139.03873	1.2
147.04437	0.3
147.06464	1.1
151.03909	0.3
153.01804	56.4
153.05400	0.9
154.02115	0.5
157.04948	0.2
159.06607	0.2
161.05969	0.2
163.03900	0.6
163.05988	1.2
165.01842	1.1
165.05479	0.2
166.02579	0.4
167.03285	0.2
171.02873	2.1
171.04285	0.3
171.06578	0.5
175.04033	0.2
176.04597	0.2
177.01801	1.5
177.05470	0.3
179.03395	0.9
181.01328	0.5
183.02910	0.5
187.03844	0.4
189.01888	0.2
189.05383	0.3
191.03409	0.9
195.02866	1.3
199.03885	0.8
201.05426	0.3
203.03348	1.1
205.05022	0.3
207.02820	0.2
211.03889	0.2
213.07469	0.3
214.02538	0.2
215.03357	1.6
216.04103	0.4
217.04962	0.8
218.98395	0.2
219.02847	1.1
220.61642	0.2
227.03362	0.4
229.05006	0.7
229.57179	0.2
231.02869	1.7
232.03638	0.4
233.04382	0.6
239.09244	0.6
243.02805	1.3
244.03705	0.8
245.04408	2.5
246.11632	0.2
247.02345	0.5
255.02782	1.7
257.04507	0.9
257.10281	0.3
259.02365	1.4
260.03134	2.1
261.03888	3.1
262.04703	0.6
264.67209	0.2
267.06552	0.4
269.04333	0.4
271.02332	2.1
272.03131	0.4
273.03897	1.5
275.05627	0.4
277.03253	0.3
279.06219	0.4
283.02396	1.0
283.05371	0.3
285.03882	1.1
287.01807	0.5
287.05350	0.3
288.02744	0.7
289.03357	1.5
290.04230	0.9
293.04474	0.3
295.02502	0.5
295.06027	0.6
297.03964	0.8
299.01865	0.7
301.03384	7.2
305.04367	0.6
307.05917	0.4
311.01862	0.6
311.05426	0.4
313.03369	1.0
317.02808	1.7
317.22299	0.2
318.03683	1.3
319.04382	3.0
321.03827	0.6
323.01788	0.5
323.05505	0.9
325.03534	0.5
327.01364	0.3
327.04984	0.3
329.02832	1.5
331.04282	0.3
333.03854	0.4
334.04767	0.4
335.05408	2.0
339.01410	0.4
339.05084	0.6
341.03006	0.8
345.02185	1.0
349.03491	0.5
350.04294	0.6
351.01254	0.5
351.05020	1.8
353.02875	0.4
353.06815	0.3
361.03348	1.0
363.04785	1.5
367.04562	0.8
369.02280	0.4
373.03336	0.4
375.04959	0.3
378.03693	0.3
379.00079	0.2
379.04443	2.8
380.04977	0.3
381.06039	0.7
386.06412	0.4
389.02850	0.7
391.04422	1.5
395.03809	1.1
396.04764	0.4
397.05750	0.5
403.04309	0.4
407.03986	2.0
409.05475	2.2
419.03815	2.1
423.03394	0.3
424.04077	0.5
425.04907	1.8
435.03250	1.5
436.03934	0.4
437.04935	1.6
443.05725	0.3
447.03653	0.9
451.03180	0.3
453.04547	2.2
455.06174	0.8
465.04553	0.9
477.04532	0.4
481.04840	0.2
483.05490	1.4
495.05682	0.4
525.04443	0.2
561.06427	1.0
603.07410	0.2
607.06458	0.4
617.05774	0.3
619.06921	0.6
635.06561	100.0
636.06848	4.1
647.06610	2.5
659.06458	3.5
677.07587	2.5
701.07587	2.7
727.08990	2.2
745.10242	1.3
763.11017	1.0
781.12317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81899	0.2
65.03960	0.2
67.01845	1.4
67.05474	0.3
68.99780	1.9
69.03420	2.6
70.31937	0.2
71.01344	0.5
71.04984	15.9
73.02596	0.2
73.02906	1.7
75.04462	1.0
79.01832	0.2
79.05463	0.3
81.03390	0.8
83.04964	3.7
84.28812	0.2
85.02893	20.0
87.04417	0.4
91.05424	0.2
91.64722	0.2
95.04936	0.7
97.02876	0.9
97.06493	0.2
98.35366	0.2
99.04420	1.1
101.06010	0.3
107.04895	0.2
109.02847	0.5
111.00773	0.8
111.04431	3.4
113.05972	0.4
114.57623	0.2
117.05478	1.2
121.02925	0.3
121.06496	0.2
123.04429	0.5
125.02314	0.4
127.03898	1.1
129.01825	0.2
129.05464	4.5
135.04395	0.4
137.02306	1.1
137.05956	0.3
139.03905	0.9
147.06512	1.2
149.02307	0.4
149.05948	0.2
153.01804	60.8
153.05209	1.0
154.02151	0.5
157.04939	0.3
163.03883	0.9
163.05945	1.0
165.01831	1.2
166.02681	0.5
167.03346	0.5
171.02895	1.4
171.04277	0.3
171.06552	0.3
175.03912	0.3
177.01808	2.4
177.05453	0.5
179.03371	0.8
181.01329	0.4
183.02884	0.6
183.06490	0.3
187.03911	0.5
189.01697	0.2
189.05476	0.4
191.03352	1.2
195.02907	1.7
199.03873	0.7
201.05441	0.5
201.07428	0.3
203.03416	1.0
205.04959	0.5
207.02898	0.5
215.03264	1.8
216.04150	0.5
217.04956	0.9
219.02777	1.6
221.04311	0.3
227.03377	0.8
229.04965	0.7
231.02856	2.1
232.03595	0.4
233.04521	0.6
235.02261	0.2
239.03406	0.4
239.09132	0.7
241.04974	0.3
242.02101	0.4
243.02869	1.7
244.03687	0.9
245.04424	3.0
247.02379	0.4
253.04890	0.3
255.02855	1.4
257.04358	1.1
257.10281	0.3
259.02316	1.5
260.03110	1.9
261.03897	3.3
262.04776	0.8
265.04898	0.2
267.02917	0.2
267.06546	0.2
269.04495	0.4
271.02274	1.6
272.02939	0.4
273.03952	1.9
275.05612	0.4
275.11166	0.4
279.06448	0.3
281.04437	0.4
283.02377	0.8
283.05899	0.3
285.03799	1.2
287.01694	0.5
288.02600	0.6
289.03394	2.0
289.06680	0.2
290.04221	0.8
293.04431	0.3
295.02609	0.4
295.06021	0.9
297.03857	1.0
299.01990	0.9
301.03403	7.8
303.04926	0.3
305.04404	0.7
307.06024	0.7
309.04028	0.4
311.01819	0.8
311.05338	0.4
313.03409	0.8
317.02765	1.9
318.03671	1.7
319.04483	2.9
321.03928	0.7
323.02084	0.4
323.05566	0.8
325.03433	0.8
327.04968	0.3
329.02795	1.3
331.04538	0.4
333.04001	0.8
335.05469	1.7
337.03369	0.5
339.01410	0.3
339.05084	0.8
341.03137	0.6
345.02795	0.8
349.03317	0.4
350.04190	0.5
351.01337	0.3
351.04898	1.6
353.02914	0.8
357.02936	0.4
361.03540	0.7
363.05032	2.1
367.04544	0.7
369.06354	0.2
373.03369	0.3
375.04895	0.4
377.02686	0.4
378.03586	0.4
379.04517	2.9
380.05301	0.5
381.06061	0.6
386.06174	0.3
389.02789	0.8
391.04379	1.4
393.06793	0.3
395.04071	0.9
396.04620	0.4
397.05606	0.5
403.04379	0.4
407.03903	2.0
409.05463	2.7
411.03836	0.3
419.03967	1.7
421.05780	0.3
423.03622	0.4
424.04288	0.4
425.05032	2.0
431.04041	0.4
435.03448	1.1
436.03922	0.4
437.05011	2.1
445.01483	0.4
447.03506	0.6
449.05215	0.3
453.04507	2.6
455.06021	0.8
463.02914	0.4
465.04544	0.7
483.05344	1.4
495.05966	0.3
525.05420	0.2
543.05524	0.3
561.06647	1.0
571.05084	0.2
603.07745	0.6
607.07257	0.5
619.07220	1.7
635.06573	100.0
636.06982	2.3
647.06628	3.4
648.08350	0.2
659.06622	5.5
669.04724	0.4
677.07666	3.5
687.05292	0.3
701.07477	4.2
727.09155	5.0
745.10150	2.6
763.11523	1.4
781.11719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.5
66.48148	0.6
67.02511	0.7
67.05495	45.7
69.03424	4.3
69.07058	15.8
71.04982	2.8
71.63577	1.1
71.63945	0.8
73.02892	1.2
73.06568	0.7
77.03912	1.1
79.05482	57.4
80.05808	0.8
81.03408	9.5
81.07045	50.9
82.07388	0.9
83.04971	12.9
83.08611	9.4
85.02885	6.6
85.06538	3.1
87.04460	0.8
91.03936	2.5
91.05469	47.8
92.88339	0.6
93.07030	59.1
95.04960	16.5
95.08596	28.3
95.09216	0.9
96.08923	0.7
97.02884	4.5
97.06521	11.2
97.10147	6.7
99.04448	1.6
99.08080	1.4
105.04493	1.1
105.07018	38.3
107.04937	9.6
107.07854	1.4
107.08579	25.1
109.02885	1.7
109.06513	7.1
109.10139	8.8
111.08080	3.4
113.06024	0.8
113.09624	0.8
115.05416	0.8
117.06994	12.8
119.08564	26.7
121.06502	4.4
121.10130	10.3
123.08062	5.9
123.11678	2.1
125.09617	3.5
127.03900	2.6
127.07549	1.2
128.06213	1.9
129.06985	14.0
130.07750	1.1
131.08551	10.0
133.06482	1.1
133.10110	20.2
134.10405	0.8
135.08060	3.6
135.11678	9.4
137.09619	2.2
141.06985	1.9
141.09021	0.9
143.08565	8.2
145.04932	1.2
145.10100	13.8
147.08012	2.0
147.11665	30.6
149.09595	7.6
149.13239	5.5
151.11145	1.6
152.39983	0.8
153.08960	0.7
155.08594	1.3
156.09325	1.2
157.10135	2.4
159.11661	8.0
161.09621	2.7
161.13219	7.8
163.05963	0.8
163.11185	6.2
165.09106	0.9
165.12764	1.1
169.10114	1.6
171.11656	18.3
173.04449	2.2
173.13254	2.6
175.11246	1.1
177.12729	2.2
179.10637	1.0
179.14304	2.2
181.12303	0.7
183.11714	1.5
185.13184	0.9
187.11205	1.3
189.11218	1.3
189.12727	8.0
195.13722	1.6
197.13290	1.2
201.12701	0.8
207.13768	15.2
225.14861	1.1
227.12836	4.5
229.19513	1.5
239.17949	2.2
247.20601	0.8
253.14291	1.1
255.15758	4.1
257.18890	6.0
267.15860	1.9
269.17453	11.5
275.20013	22.0
279.16025	1.7
281.17429	49.1
282.17813	1.2
293.21222	1.6
313.27261	1.0
331.22781	1.7
335.25943	0.7
349.23700	13.6
367.24817	1.3
377.23184	0.9
413.21823	0.9
435.27197	3.7
451.26398	3.3
457.29697	1.8
459.30798	1.2
461.28937	23.8
462.29181	0.9
475.30496	100.0
476.30832	4.5
499.30325	1.0
515.33484	2.0
527.37451	1.0
537.35852	2.6
555.36749	51.3
556.37006	2.1
573.37988	10.5
579.31396	1.2
619.34381	4.6
681.39911	1.1
699.41016	1.3
717.41663	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	933.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.8
67.05492	14.6
69.03419	9.0
69.06704	0.5
69.07056	6.4
69.27869	3.2
71.01341	1.3
71.04987	1.8
71.08610	1.2
73.02487	0.4
73.02905	8.0
77.03922	0.3
79.05481	10.3
81.03403	4.2
81.07044	14.3
83.01345	0.3
83.04955	1.4
83.08603	4.2
85.02891	19.4
85.06532	0.6
85.10188	0.5
87.04459	0.4
91.03937	11.2
91.05464	8.5
93.07026	10.8
95.04955	2.6
95.08592	11.9
97.02877	16.1
97.06509	1.3
97.10157	2.2
99.04440	2.2
99.08080	0.3
101.02374	3.0
103.03900	0.6
103.05453	0.6
105.07011	9.0
107.04939	0.9
107.08575	7.3
109.02856	1.6
109.06516	1.0
109.10134	5.2
111.08088	1.0
115.03922	1.2
115.05448	0.9
117.06994	5.6
118.06392	0.3
119.08566	6.7
121.06510	0.4
121.10122	5.0
123.04413	0.3
123.08038	1.1
123.11697	1.6
125.06004	0.3
125.09617	0.7
127.03901	5.0
127.07501	0.3
128.06212	1.5
129.05473	0.5
129.06984	5.9
130.07762	0.3
131.08546	7.9
133.10106	5.8
135.08051	0.6
135.11665	3.2
137.09595	0.5
137.13232	0.9
139.11171	0.3
141.06961	2.9
142.07745	1.6
143.08539	8.1
144.09262	0.4
145.04944	3.8
145.10097	8.0
147.08012	0.4
147.11668	3.0
149.09549	0.7
149.13216	1.7
151.11081	0.3
153.07007	1.1
154.07735	0.6
155.08536	7.0
156.09311	1.2
157.10109	7.3
159.08078	0.5
159.11679	5.4
161.09544	0.6
161.13255	2.3
163.06017	1.8
163.14799	0.9
165.07019	0.9
166.07755	0.5
167.08540	3.8
168.09323	0.9
169.10109	8.5
170.10844	0.5
171.11665	6.5
173.09564	0.3
173.13225	3.7
175.11198	0.4
175.14832	1.0
177.16449	0.3
179.08505	1.6
180.09355	0.8
181.10086	5.1
182.10875	0.9
183.11668	8.0
185.09645	0.6
185.13210	4.9
187.14810	2.1
189.16394	1.0
193.10129	2.2
194.10931	0.5
195.11671	4.8
196.12360	0.6
197.13223	6.8
199.13197	0.5
199.14795	3.2
201.16409	1.3
203.18011	0.4
205.10210	0.8
207.11688	3.2
208.12511	0.6
209.13205	5.1
210.14029	0.6
211.14777	3.9
211.16652	0.3
213.13014	0.3
213.16435	2.0
215.17996	0.7
219.11720	0.8
219.17560	0.3
221.13315	1.8
222.14056	0.3
223.11314	0.3
223.14784	3.1
225.16328	3.3
227.17938	1.2
231.11769	0.5
233.13220	1.0
235.14824	1.6
237.16403	2.4
239.18013	1.5
239.23659	0.3
241.19554	0.6
243.21152	0.6
247.14743	1.1
249.16414	1.1
251.18027	1.7
253.19551	1.1
259.20563	0.4
261.16302	0.6
261.22101	1.6
262.22552	0.6
263.17899	1.0
265.19635	1.0
267.21008	0.6
277.19476	0.6
279.21103	0.6
281.19260	0.4
281.22617	0.5
283.20599	0.5
291.21030	0.4
293.19214	0.3
293.22470	0.3
295.20563	0.3
303.20746	0.3
309.22098	0.7
311.20218	0.5
311.23669	0.5
313.27359	4.8
314.27728	1.8
317.25031	0.3
321.22049	0.7
321.25620	0.4
323.19928	0.4
323.23798	0.9
325.21664	0.4
325.25183	0.6
327.23291	0.4
335.26007	3.5
336.26144	1.3
337.25275	1.0
339.26865	0.4
349.25131	0.8
351.22977	0.5
351.26923	0.7
353.24802	0.4
363.26645	0.7
365.28418	0.7
367.26364	0.5
377.28506	0.6
379.30200	0.4
380.82156	0.3
381.27744	0.5
391.30054	0.4
393.31625	0.4
401.28345	0.3
403.30051	0.4
415.30362	0.3
419.33502	0.4
421.30380	0.4
423.33209	0.3
429.31726	0.6
433.30566	0.3
435.32501	0.6
437.50986	0.4
443.33514	0.4
447.32379	0.6
461.33234	0.3
473.33011	0.4
475.34094	0.4
485.33038	0.4
498.44113	0.3
499.39618	0.5
501.35602	0.7
513.35498	0.5
515.37567	0.6
517.40393	4.2
521.36572	0.3
525.35962	0.4
527.37341	0.8
529.39569	0.3
535.41010	1.7
539.37567	1.7
541.39093	0.6
553.38855	0.5
555.40918	0.5
565.40857	0.4
567.40302	0.6
569.42426	0.5
573.41583	0.4
573.48962	0.9
574.49323	1.9
581.42523	0.4
589.41492	0.4
591.43866	4.9
607.43445	3.0
609.45020	100.0
610.45428	2.8
611.46405	0.6
619.44086	0.4
621.45160	2.1
623.47180	0.5
633.45337	1.8
645.44861	0.5
651.46368	2.2
657.44501	0.4
663.46417	0.6
675.45758	0.9
681.45026	0.3
693.46320	0.6
699.46002	1.0
717.47180	2.1
735.48193	2.4
753.49164	4.0
771.50269	30.1
772.50549	0.4
783.49097	0.4
915.55048	0.6
933.37659	0.6
933.55511	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	936.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	3.7
67.05497	58.1
69.03409	9.6
69.07055	34.0
69.07405	2.9
69.29899	16.6
71.01347	1.8
71.04974	8.2
73.02890	4.2
79.05480	62.8
81.03405	80.9
81.07047	77.1
83.04970	30.8
83.08606	34.3
85.02889	40.3
85.06533	6.9
90.12740	1.4
91.03965	7.5
91.04887	3.2
91.05463	68.1
93.07029	57.2
95.04356	2.4
95.04955	40.6
95.08589	30.8
97.02869	14.7
97.06526	15.8
97.10161	22.8
99.04439	2.9
99.08085	2.6
103.05417	1.8
105.07009	51.2
107.04942	17.1
107.08577	42.1
107.09285	3.0
109.02852	3.2
109.06511	10.7
109.10141	13.7
111.04447	4.5
111.08068	14.2
113.06020	2.5
115.05441	3.7
116.06170	1.3
117.06985	16.6
119.08565	41.0
121.06483	3.5
121.10125	26.4
121.11006	1.9
123.08051	4.7
123.11705	4.6
125.09606	12.8
127.03909	5.9
128.06180	1.5
129.06995	17.2
131.08549	31.1
133.06488	6.2
133.10112	31.9
135.08032	5.6
135.11685	13.7
137.09628	4.1
141.07027	3.0
142.07765	5.2
143.08510	3.8
145.05025	2.5
145.10088	16.9
147.08047	5.9
147.11659	29.8
149.09601	20.9
149.13278	10.4
151.11171	3.3
155.08528	2.4
157.10098	20.8
159.11676	12.9
161.09663	4.7
161.13283	3.9
163.06021	1.7
163.11119	10.9
165.12733	6.1
169.10057	2.5
171.11707	4.2
171.75517	1.5
173.04430	3.1
173.11812	2.1
173.13304	5.3
175.11162	18.1
177.12712	4.3
181.10059	1.7
183.11618	3.1
187.11263	1.9
189.11203	10.1
193.12202	54.6
195.13771	4.3
197.13289	3.2
211.13249	81.3
227.12730	24.1
227.14571	2.0
229.14313	4.3
229.19513	2.4
239.18036	3.8
245.13695	1.7
255.15935	7.1
257.18933	12.3
267.15860	49.1
269.17398	24.1
275.20016	44.1
285.16922	91.2
286.17465	1.9
293.21036	6.0
331.22653	5.1
349.23688	51.7
367.24768	3.4
381.22476	1.8
413.21616	1.7
421.25577	2.5
437.24506	3.2
439.26898	6.7
443.28049	4.0
447.27460	12.9
455.26367	5.4
461.28958	37.3
463.30777	1.9
465.28397	15.5
477.28748	1.7
479.29968	88.1
541.35205	40.9
553.97876	1.6
559.36206	100.0
560.36707	2.7
577.37195	17.6
599.30408	3.1
605.33014	4.1
623.33844	6.7
685.38843	2.9
721.40741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	1.0
67.05484	0.9
68.99792	2.5
69.03415	7.5
70.96703	1.3
71.01347	2.2
71.04985	72.6
73.02911	6.3
75.04471	3.9
79.05515	0.8
83.04967	15.0
85.02895	86.5
87.04455	2.6
95.04974	3.8
97.02893	1.4
97.06506	1.2
99.04462	4.2
101.06004	0.8
107.04954	1.1
109.02861	1.9
111.04433	12.4
111.05186	0.8
113.05995	1.9
117.05499	3.7
121.02874	1.4
123.04443	1.5
125.06022	0.7
127.03938	2.6
129.05470	22.1
133.12399	0.5
134.42386	0.5
135.04381	1.0
135.36403	0.6
137.02330	0.8
139.03870	1.5
143.07123	0.7
147.04378	0.7
147.06491	5.6
153.01811	57.3
153.05394	4.4
157.05005	1.0
159.06467	1.1
163.03893	8.5
163.06006	4.1
165.01862	2.3
166.02586	0.7
167.03468	0.7
171.02925	0.8
171.06496	1.4
177.01794	5.7
179.03378	3.4
179.06938	0.6
183.02934	1.9
183.06554	1.1
187.03911	1.4
189.01796	0.9
191.01636	1.2
191.03374	21.7
192.04108	1.7
193.05000	0.9
195.02887	3.2
201.07486	0.7
202.02646	0.9
203.03389	5.6
205.01314	0.9
205.05110	0.7
207.02863	1.3
209.04494	0.9
211.09854	0.6
213.07617	1.1
215.03413	2.0
216.04332	0.6
217.04932	1.0
218.02307	0.6
219.02849	11.9
220.03615	3.3
221.04433	5.3
227.03490	1.0
229.01302	1.2
229.04936	1.1
231.02858	24.7
232.03590	2.0
233.04575	1.5
235.02394	0.9
239.09094	3.8
243.02896	2.5
245.04507	1.8
247.02370	18.3
248.03140	1.6
249.03999	0.8
253.04984	0.8
255.02884	3.3
257.04407	1.4
257.10220	1.2
259.02386	5.3
260.03067	1.1
261.03833	1.1
263.05508	0.8
269.04404	1.2
271.02386	2.1
273.00485	0.6
273.04001	2.2
275.01932	0.8
275.11276	0.8
281.04477	2.1
283.02390	2.8
283.05347	0.8
285.04037	2.7
287.01990	1.2
289.03558	1.3
293.04553	2.0
294.03622	0.8
295.02643	1.0
295.06082	1.7
297.03958	1.6
299.01825	1.2
300.02417	0.9
301.03543	1.8
305.04526	1.1
309.04016	2.5
310.04688	1.0
311.01987	1.3
311.05463	0.7
313.03448	5.4
314.04416	0.6
319.04602	0.9
321.04031	2.3
323.02112	0.9
323.05563	1.9
325.03516	0.9
329.02866	19.5
330.03540	1.2
333.04056	1.7
335.05496	1.1
337.03397	2.5
338.04108	0.6
339.01495	0.8
339.05054	1.5
341.02826	1.7
343.04904	1.0
349.03445	1.5
350.04068	0.9
351.01285	0.9
351.04803	3.5
353.02789	3.5
355.04526	1.0
357.02469	1.1
359.03946	6.6
361.03577	1.9
363.05112	1.6
364.02121	0.9
365.02823	7.4
366.03677	2.0
367.04474	1.1
369.02515	2.5
371.04199	1.0
375.04947	0.9
377.02753	4.1
378.03708	1.2
379.00400	1.1
379.04486	4.7
381.02563	1.4
385.01974	1.4
389.02893	1.6
391.04556	2.1
393.02353	5.2
394.03195	10.0
395.04117	2.1
401.02521	0.7
403.04150	0.8
404.97943	0.7
405.02274	3.2
406.03235	1.1
407.03986	6.7
417.02322	1.8
419.04190	1.9
421.01923	1.7
423.03592	0.9
425.04742	0.7
429.01819	0.8
431.04025	0.7
433.01855	2.8
435.03378	3.9
445.01501	1.0
447.03696	2.4
451.03076	1.2
453.04785	0.9
459.03479	0.9
461.01370	2.5
463.02902	1.3
469.05658	0.9
481.04395	0.7
485.05115	1.1
513.04626	2.6
525.05011	1.1
531.05353	0.7
541.04077	2.8
543.05621	1.8
553.04120	1.0
558.93994	0.8
559.04730	1.8
569.03442	2.2
571.04871	5.0
587.04498	22.5
588.04871	1.1
589.06348	1.6
595.05267	0.7
597.02942	1.9
605.05658	1.1
607.07098	2.6
611.04523	2.7
613.06299	1.1
615.03973	40.5
616.04248	1.3
617.05914	1.5
629.05682	1.3
633.05048	100.0
634.05389	4.0
635.06348	1.5
639.04175	3.6
645.05042	6.4
651.06122	36.1
652.06415	1.2
653.04932	1.0
657.04919	12.3
663.06085	2.0
669.03992	0.7
675.06055	10.0
679.05792	0.7
681.04767	2.4
693.07117	5.0
699.06268	8.2
707.06329	1.1
717.06989	2.1
725.07697	6.3
743.08704	5.6
761.09808	4.3
767.07715	0.7
779.10992	2.0
797.12158	1.2
874.66949	0.6
893.48224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78158	1.0
67.05495	48.0
69.03413	2.7
69.07053	12.5
70.67284	1.4
70.67625	2.9
71.04993	2.5
73.02907	3.4
75.79852	1.1
79.05478	32.5
81.03441	1.3
81.07045	54.9
83.08591	7.1
85.02895	16.1
91.03934	9.5
91.05460	18.9
93.07028	40.7
93.07610	2.7
95.04962	4.7
95.08591	44.7
97.02881	6.1
97.06532	1.6
97.10158	3.9
101.56583	1.3
105.07009	18.2
107.08572	22.6
109.02840	1.3
109.10149	19.5
117.06995	8.3
119.08562	13.4
121.10130	19.1
123.11691	7.9
126.21587	1.0
127.03892	4.1
129.06938	1.8
129.64450	1.1
131.08536	11.3
133.10121	16.2
135.11668	13.6
137.13210	2.6
143.08549	1.6
145.04947	6.5
145.10106	9.0
147.11673	10.8
149.13246	8.7
151.11180	1.7
151.14758	1.8
157.10085	1.6
159.11639	9.6
161.13222	8.5
163.06006	8.3
163.14821	4.1
171.11620	2.2
173.13235	5.6
175.14804	4.7
179.14259	1.4
185.13177	1.8
185.26556	1.0
187.14806	3.8
197.13373	1.2
199.14796	1.9
201.16347	2.3
206.72717	1.3
213.16330	1.3
215.18022	1.5
241.19559	3.2
243.21078	4.8
259.20529	8.8
261.22128	20.3
263.23648	1.9
313.25168	1.3
317.24725	3.2
333.24216	8.2
335.25757	100.0
336.46527	1.3
337.27295	13.5
403.66830	1.5
442.48358	1.2
521.43353	3.1
539.43701	1.8
595.47217	17.4
613.48108	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	959.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00674	0.3
67.01859	1.7
68.99772	2.1
69.03416	2.7
70.71839	1.0
71.01308	0.5
71.04984	17.1
73.02905	0.6
75.04443	0.6
81.03391	1.4
81.20325	0.5
83.04976	2.2
85.02893	24.5
87.04457	0.6
89.46249	0.3
95.04958	0.4
97.02876	2.5
107.04962	0.4
109.02851	1.2
111.00788	0.7
111.04418	1.8
113.99510	0.3
119.04900	0.5
121.02853	0.9
123.04433	0.4
127.03893	2.5
129.05469	3.9
135.04468	0.7
137.02330	1.1
139.03873	0.6
145.04956	1.4
146.17155	0.3
147.04433	0.6
147.06502	1.2
149.02347	0.4
153.01808	65.0
163.00217	0.4
163.03883	8.2
165.01884	0.7
166.02565	0.4
168.05995	0.3
171.02890	1.3
175.03934	0.5
177.01984	0.4
179.03343	3.5
181.01349	0.6
183.02940	0.5
187.03903	0.4
189.01828	0.7
191.03374	20.7
192.04144	1.1
193.01311	0.8
193.04924	0.9
195.02902	1.6
202.02686	0.9
203.03383	4.2
205.01285	0.5
207.02849	1.8
209.04463	0.5
215.03363	0.7
217.05013	0.5
219.02859	9.5
220.03619	2.3
221.04416	5.1
227.03365	0.7
229.04927	1.2
230.02145	1.3
231.02853	22.2
232.03560	1.8
233.04353	0.6
235.02361	0.6
237.00270	0.4
243.02835	1.1
244.03680	0.4
245.04474	1.1
247.02350	16.2
248.03185	1.3
249.03952	0.7
253.05008	1.0
255.02895	1.3
257.00751	0.3
257.04480	1.1
259.02359	5.3
260.03149	0.5
261.03827	2.0
265.04913	0.7
267.02881	0.8
269.04333	0.6
271.02457	1.8
273.00323	0.7
273.03809	0.9
274.04739	0.5
275.02023	0.7
276.02786	0.5
277.03482	1.1
279.03030	0.4
281.00980	0.4
281.04425	1.5
282.05252	0.6
283.02347	2.4
284.03082	0.7
285.03943	2.4
287.01874	0.9
289.03522	0.8
293.04440	1.0
295.02377	1.0
295.06064	1.1
297.03891	1.2
299.01889	0.4
300.02667	0.6
301.03384	2.7
302.04257	0.8
305.04517	1.1
309.00650	0.6
309.03894	2.2
310.04642	0.8
311.01981	0.8
312.02551	0.8
313.03320	4.2
315.01462	0.5
317.02756	0.4
318.03668	0.6
319.04642	1.2
321.03894	1.7
322.04703	0.4
323.01941	0.6
323.05499	1.6
325.03613	0.6
327.01312	0.6
327.04880	0.5
329.02869	22.5
330.03635	1.3
331.04727	0.8
333.03925	1.2
335.01910	0.5
335.05682	1.3
337.03488	2.1
337.06924	0.4
338.04178	0.8
339.01404	0.5
339.04962	0.6
341.02908	1.4
343.04752	0.5
345.02762	0.7
349.03470	1.8
350.04282	1.2
351.04907	2.4
353.02756	2.0
355.00665	0.5
357.02405	1.0
359.04016	5.1
361.03473	1.4
363.04971	1.2
364.01950	0.6
365.02863	7.6
365.07281	0.4
366.03732	1.8
367.04501	0.9
369.02182	2.5
375.04630	0.4
377.02972	2.8
378.03671	0.5
379.00668	0.8
379.04596	3.0
381.02377	0.9
385.02014	1.5
389.02878	1.2
390.03751	0.5
391.04401	2.3
393.02295	4.5
394.03162	9.8
394.07999	0.6
395.03851	2.1
401.02423	0.4
403.04425	0.6
405.02301	2.4
406.02893	0.5
407.03918	5.6
413.06052	0.6
415.04520	0.4
417.02353	1.0
419.04047	1.4
421.01767	0.9
425.04858	1.0
429.01849	0.8
431.03796	0.5
433.01892	2.2
435.03384	3.4
439.02991	0.6
441.05847	0.5
447.03439	3.8
451.03024	0.7
453.04587	1.0
457.05582	0.9
461.01309	2.3
463.02905	0.9
469.05533	0.6
479.03064	0.5
485.05157	1.0
489.05139	0.4
497.04800	0.6
503.05902	0.7
513.04602	2.2
515.06281	0.5
525.04535	1.1
531.06036	1.7
541.04077	2.5
543.05481	1.4
553.04108	1.3
559.05029	1.4
561.06171	0.5
569.03265	1.8
571.05072	3.1
587.04480	21.9
588.04742	0.5
589.05951	1.1
597.02954	2.6
605.05121	1.7
607.06793	1.0
615.03973	38.8
616.04388	0.7
633.05035	100.0
634.05316	1.7
635.06580	12.4
639.04248	0.6
645.05060	0.7
651.06085	32.4
652.06427	0.6
657.04938	1.2
675.06378	0.9
699.06165	1.3
707.06799	0.5
725.07678	0.9
725.83270	0.4
743.08331	1.0
802.58014	0.5
969.98895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	47.4
69.03420	6.8
69.06716	1.3
69.07064	20.4
70.15431	4.8
71.04964	4.1
71.08627	24.6
71.53416	1.0
73.02903	2.9
79.05482	29.2
81.03414	10.1
81.07049	59.8
83.04999	7.8
83.08134	1.5
83.08604	16.5
85.02894	11.7
85.06044	1.1
85.06538	3.2
85.10173	16.4
85.42858	1.0
89.06004	1.6
91.03939	4.2
91.05466	24.8
93.07035	36.4
93.75970	1.0
95.04951	10.0
95.08595	37.8
97.02870	8.2
97.06528	10.4
97.10163	7.8
98.24196	0.9
99.04460	1.9
99.08054	2.9
99.11763	1.1
103.03947	1.4
103.05451	1.6
103.07586	1.3
105.06376	1.6
105.07026	19.7
107.04928	4.6
107.08582	21.5
109.02840	1.6
109.06494	5.8
109.10139	17.4
111.04437	1.7
111.08051	3.9
115.03970	1.1
116.06184	1.1
117.06988	10.3
119.04896	1.1
119.07780	1.3
119.08566	15.4
121.06467	3.4
121.10123	11.6
123.08028	1.9
123.11677	7.3
125.09599	3.4
127.03917	5.5
129.05482	2.0
129.06985	3.2
131.05008	0.9
131.08551	13.8
133.10110	17.9
135.08070	3.5
135.11656	10.9
137.09663	2.4
141.06929	1.2
143.08536	2.7
145.04973	2.1
145.10101	8.3
147.11671	7.6
149.09612	9.2
149.13254	9.6
151.11177	1.7
157.10068	4.1
159.11691	11.7
161.09575	2.0
161.13205	2.9
163.06018	2.4
163.11188	6.2
163.14912	1.0
171.11687	2.0
173.04448	3.9
173.13229	3.2
175.11140	1.2
177.12730	4.1
179.14265	1.7
183.11617	2.4
185.13150	1.3
187.11197	1.5
187.14720	1.5
189.11159	1.3
195.13770	3.0
217.15842	1.5
227.12706	3.8
229.14359	1.5
229.19579	2.1
239.17819	2.0
239.23738	2.6
247.20581	3.0
255.15842	14.1
257.18939	6.7
261.15170	1.2
261.64529	1.4
267.15872	3.6
269.17447	37.9
275.17212	2.0
275.20026	22.7
291.19394	1.9
293.17599	1.1
293.21036	2.9
303.15997	1.5
309.20410	1.5
313.27335	91.6
314.27649	2.5
321.24042	1.6
331.22668	2.2
339.18170	2.6
349.23709	28.8
367.24750	2.4
413.21463	4.0
467.37152	2.2
493.27747	2.2
493.38812	22.0
507.40390	100.0
508.40549	2.4
509.88425	1.1
528.86255	1.0
547.43311	4.1
587.46643	43.8
588.47021	2.5
605.47705	15.3
627.40198	1.5
651.44049	2.4
727.69568	1.5
749.51599	1.9
816.48846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.3
69.03410	0.2
69.07056	15.2
69.36690	0.7
69.37106	0.3
71.04965	0.2
71.08621	4.2
73.02907	0.1
73.06538	0.3
75.04468	0.3
75.93719	0.1
79.05477	1.4
81.07042	3.4
83.04984	0.5
83.08604	14.9
85.06532	0.2
85.10169	2.0
91.05457	0.3
93.07030	2.1
95.04902	0.1
95.08591	2.5
97.06518	1.6
97.10153	10.6
98.21274	0.4
98.98447	5.2
99.08064	0.2
101.05997	0.1
105.07019	0.3
107.08579	1.8
109.10137	1.0
111.08061	0.6
111.11701	3.2
115.07569	0.1
116.99434	0.2
119.08556	0.2
121.10126	2.6
123.11698	0.7
125.09613	0.7
125.13237	0.7
129.05534	0.2
131.08606	0.1
133.10144	0.2
135.11676	1.7
137.13205	0.4
139.11171	0.4
145.10121	0.2
147.10291	0.1
149.13232	1.1
151.11163	0.1
153.12749	0.2
155.01015	2.7
163.14786	0.3
173.02046	0.9
181.15831	0.1
193.69528	0.1
211.03670	0.1
219.21021	0.5
229.04701	0.3
237.22092	0.6
247.05782	0.7
275.20053	0.3
311.25742	100.0
312.26031	0.8
349.23630	0.2
391.22345	0.2
435.68518	0.1
447.24988	5.2
465.25754	0.1
543.36469	0.5
574.46198	0.1
623.43024	0.1
687.40552	0.4
712.50220	0.1
860.82855	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	970.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	2.8
69.07056	21.9
70.12756	3.4
70.13168	6.6
71.04980	3.1
71.74823	2.0
73.02905	3.8
79.05486	67.2
81.03410	2.3
81.07050	76.0
83.04958	4.1
83.08613	14.6
85.02898	16.0
85.06536	3.1
90.20734	1.4
91.03971	14.5
91.05471	74.1
93.07037	80.2
95.04961	12.6
95.08598	60.0
97.02869	8.1
97.06515	3.9
97.10143	4.0
99.08100	2.3
103.03928	2.0
103.05438	2.4
105.04511	1.7
105.07020	71.9
107.05024	1.8
107.07872	3.0
107.08585	45.0
109.06514	5.4
109.10144	29.0
111.08070	3.6
115.05447	2.3
117.07011	22.6
119.08572	63.0
121.10131	38.3
123.08081	3.5
123.11693	6.1
127.03905	4.4
128.06233	3.9
129.07037	9.3
130.07790	2.5
131.08560	30.8
133.10109	43.2
133.11058	2.8
135.07988	1.9
135.11697	28.0
137.13246	2.8
143.07509	1.7
143.08524	11.7
145.04935	4.9
145.10104	31.0
147.11667	46.7
149.09601	3.1
149.12230	2.3
149.13228	15.2
155.08469	2.6
156.09370	1.9
157.10141	12.6
159.11676	25.4
161.13231	26.0
163.05994	6.8
163.11148	1.9
163.14767	5.0
169.10071	3.4
171.11694	15.9
173.11874	2.5
173.13225	17.9
175.14799	11.2
181.10155	3.0
183.11703	4.3
185.13184	10.1
187.14781	7.5
189.16432	2.1
195.11644	2.4
195.43410	1.8
197.13243	2.7
199.14758	5.8
201.16200	2.1
213.16373	3.0
231.21021	4.2
239.17969	2.5
241.19530	23.3
243.20995	2.2
257.18939	8.5
259.20538	73.9
261.22079	10.9
275.20111	1.9
297.22095	1.9
315.23239	2.6
331.22546	2.7
333.24228	48.9
335.25754	67.6
337.27252	4.8
367.22708	2.5
519.41559	6.2
529.38989	2.6
541.38904	2.2
593.45654	12.8
611.46619	100.0
612.46436	2.2
701.47235	3.1
719.48425	3.8
755.50098	4.7
970.56171	2.7
986.53821	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	1.9
69.07067	16.0
71.04985	3.3
71.08628	20.9
76.28146	1.2
79.05482	18.6
81.03419	3.5
81.07049	44.6
83.04974	3.7
83.08608	18.4
85.02894	5.2
85.06534	3.4
85.10180	13.0
89.06042	1.3
91.03932	4.1
91.05474	15.1
93.07043	19.8
95.04968	5.7
95.08596	35.4
97.02898	2.4
97.06503	7.0
97.10159	9.5
98.21232	7.1
102.04812	1.3
105.07016	12.7
107.04940	3.9
107.08588	16.8
109.06519	5.2
109.10145	40.3
111.08073	2.5
111.11692	1.6
117.07000	4.4
119.08563	14.4
121.10133	7.8
123.08081	2.1
123.11681	7.7
125.09612	6.0
131.08553	8.0
133.10138	9.6
135.08025	3.5
135.11696	5.7
137.09618	3.6
143.08458	2.2
145.04973	2.4
145.10075	7.3
147.11691	5.0
149.09607	6.2
149.13222	7.0
150.18701	1.2
155.10645	1.2
157.10156	2.3
159.11714	7.7
163.05981	2.5
163.11217	2.3
169.10109	1.7
173.11736	11.3
173.13156	2.9
177.12781	2.0
185.13287	1.8
189.11230	3.1
195.13870	1.9
197.13205	1.8
227.12759	9.0
229.14328	51.9
239.18089	2.2
239.23764	3.6
257.18976	4.5
269.17419	19.9
275.20050	24.0
293.20886	2.2
313.27322	100.0
314.27478	1.6
331.22614	3.7
348.43649	1.4
349.23718	25.8
367.24710	14.3
378.58090	1.4
467.37323	37.9
507.40421	51.1
508.40884	1.8
547.43182	1.5
587.46558	44.0
605.47668	27.4
651.44409	2.4
737.34534	1.8
907.14081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	5.4
69.03736	0.8
69.07061	14.3
70.69028	2.0
70.69370	0.7
71.04984	2.0
79.05486	22.0
81.03420	3.2
81.07046	25.3
83.04967	2.1
83.08604	5.7
85.02422	0.7
85.02892	3.2
85.06585	0.7
91.03966	1.2
91.05465	13.8
93.07030	20.2
95.04951	6.5
95.08598	16.8
97.02892	5.9
97.06529	2.6
97.10163	6.5
103.05505	1.0
105.07014	10.7
107.04941	3.6
107.08586	11.0
109.06538	2.0
109.10147	8.4
111.08079	1.7
117.07006	4.0
119.08576	10.1
121.06506	1.2
121.10129	7.9
123.08078	2.1
123.11705	3.0
125.09615	4.1
129.07021	1.5
131.08569	5.8
133.06520	1.7
133.10147	4.4
135.08015	1.4
135.11685	4.8
137.09639	1.0
137.13333	0.8
143.08563	1.8
145.10120	4.5
147.08060	2.7
147.11708	3.9
149.09656	1.0
149.13252	2.7
153.09146	0.7
157.10141	2.3
159.11703	2.9
161.13249	1.4
163.11183	1.2
163.14902	1.1
171.11720	1.3
173.13251	1.9
175.11172	1.3
177.12744	1.5
189.11264	2.8
201.16357	0.9
205.12369	1.4
223.13231	9.2
227.12727	3.2
227.17929	0.7
243.21126	2.7
245.19028	1.2
249.14920	1.9
261.22098	6.5
263.20322	0.8
267.15961	0.9
273.18445	7.0
291.19516	56.8
309.20587	0.9
317.24744	2.4
335.25766	65.2
347.22333	1.5
365.23206	38.0
389.77585	0.7
392.45630	0.8
527.37469	0.9
545.38190	5.2
551.40851	0.9
607.43896	3.4
625.44568	100.0
626.45789	0.8
631.26208	1.0
643.45135	1.2
689.42645	1.0
996.02679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	17.9
69.57203	3.6
69.57635	3.6
71.04967	1.3
79.05484	25.7
79.31545	0.8
81.03405	4.1
81.07043	30.9
83.04961	3.8
83.08604	4.9
85.02903	1.2
85.06499	1.2
91.05471	43.0
93.07028	26.3
95.01320	4.2
95.04964	7.4
95.08591	22.4
97.06519	10.6
97.10145	2.8
98.21273	2.6
103.05466	1.5
105.07018	54.1
107.04941	8.1
107.08577	13.8
109.06506	2.4
109.10147	6.1
111.08066	1.9
115.05491	0.8
117.06236	1.0
117.07001	11.6
119.08573	30.8
121.06464	1.8
121.10133	8.0
123.04404	1.5
123.08047	2.6
123.11710	1.7
125.09600	2.0
128.06221	1.1
129.06981	4.7
129.39560	0.8
131.08556	18.6
133.10114	30.2
135.08011	1.7
135.11707	6.4
137.09564	1.2
139.07533	1.0
141.06956	2.0
143.08527	5.9
145.06433	1.5
145.10112	13.8
147.11671	17.9
147.12781	1.6
149.09616	3.8
149.13239	4.2
151.11040	1.0
155.08548	1.3
157.10081	4.7
159.11674	10.1
161.09555	1.2
161.13249	10.3
163.11168	2.9
165.09126	1.6
169.10103	1.5
171.11627	6.0
173.13258	4.2
175.11180	1.2
175.14796	4.7
177.12738	1.7
179.14285	5.9
183.11699	1.2
185.13237	2.8
187.11107	1.1
187.14896	1.3
197.13234	1.3
199.14777	1.2
215.17996	1.1
217.19373	1.1
229.19569	1.3
231.21019	1.7
239.17975	1.7
241.19470	11.4
247.20694	0.9
257.18945	4.0
259.20560	18.7
275.20023	33.5
277.21637	1.0
293.21036	2.0
315.23163	5.2
333.24197	36.2
333.28159	1.8
349.23700	38.4
351.25067	1.0
377.60147	0.9
459.26474	0.8
494.68893	0.8
511.37589	1.6
513.35797	1.8
527.37231	1.0
533.39734	1.7
551.40778	1.5
607.43475	100.0
608.43427	1.9
625.44507	17.0
682.28027	1.0
777.26312	0.9
926.56189	0.9
950.50177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	1.1
69.07063	10.2
69.30388	9.4
71.04974	1.5
73.02892	1.9
79.05484	24.2
81.03399	1.9
81.07046	29.8
83.04946	2.0
83.08606	7.0
84.65496	0.7
84.82079	0.7
85.02895	7.5
85.06521	1.9
86.09676	0.9
91.03942	4.6
91.05469	30.0
93.07030	32.4
94.87843	0.7
95.04949	5.1
95.08589	25.3
97.02876	4.2
97.06506	2.6
97.10155	2.0
99.08092	0.8
103.05488	1.2
105.04472	0.9
105.07014	33.8
107.04938	1.3
107.08582	16.4
109.06517	1.7
109.10157	11.1
111.08038	1.1
115.05431	2.2
117.06999	17.1
119.08560	24.8
121.10130	13.5
121.71207	0.7
123.08043	1.7
123.11659	2.5
125.09636	1.3
127.03907	1.7
128.06190	3.7
129.06987	9.6
130.07797	1.3
131.08560	20.2
133.10114	18.8
135.08040	2.2
135.11670	6.7
138.16711	0.7
141.06967	4.3
142.07718	2.7
143.08554	14.6
145.04921	2.4
145.06392	0.9
145.10098	19.4
147.11667	10.4
149.09581	1.3
149.13200	3.8
154.07648	0.9
155.08542	8.9
156.09314	1.5
157.10112	13.3
159.11673	13.8
161.09555	1.3
161.13260	6.2
163.05997	3.1
163.11087	1.3
163.14821	1.2
166.07813	1.0
167.08556	4.4
168.09279	1.3
169.10107	11.4
171.11664	11.0
173.13243	8.4
175.11165	0.9
175.14792	2.1
179.08577	1.6
181.10115	6.2
181.11499	1.0
183.11673	12.0
184.07326	2.5
185.09607	0.8
185.13235	8.2
187.11304	1.0
187.14816	3.8
189.16362	1.5
193.10074	2.1
195.11667	5.1
197.13255	7.7
198.14024	0.9
199.14813	4.9
201.16330	2.5
207.11667	2.2
209.13269	4.7
211.14801	4.6
213.16360	3.4
215.17921	1.5
217.10022	0.8
219.11783	1.2
221.13083	1.5
223.14856	3.8
225.16232	4.1
227.18005	1.8
229.19464	1.4
235.14737	2.2
237.16338	3.4
239.17934	2.7
241.19475	2.8
249.16380	0.8
251.17966	1.4
253.19571	1.3
253.77818	0.9
257.18918	3.1
259.20480	3.5
261.22095	0.8
263.17883	1.0
265.19531	1.1
275.20035	1.2
280.26736	0.8
295.20624	1.0
297.21820	1.1
309.22092	0.9
323.23715	1.6
329.24597	1.1
331.22531	1.7
333.24350	3.7
335.26016	1.3
337.25067	1.2
339.22781	0.9
341.24631	1.2
351.26694	2.1
363.26447	1.0
365.28210	1.4
389.28061	0.8
407.29010	0.9
421.31067	1.3
433.31009	1.0
447.32117	1.7
473.32974	1.3
481.32935	1.0
485.33112	1.3
487.33856	1.3
499.39520	1.4
501.35739	2.3
513.35889	1.4
515.37201	1.3
517.40381	8.1
521.36407	1.4
527.37476	1.5
535.41431	4.7
539.36920	2.3
540.37592	1.2
541.39313	1.3
553.41748	0.9
555.41711	1.3
591.44055	10.0
607.43311	1.4
609.45038	100.0
610.45123	4.6
619.42572	0.9
621.44946	1.4
633.44482	1.0
651.45703	1.2
693.47229	1.1
699.45953	1.7
717.47125	1.8
735.47400	2.3
753.48572	2.9
771.50378	9.2
780.95044	0.9
895.38129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	8.4
69.07061	23.5
69.35071	1.1
69.35479	5.2
71.01350	1.6
71.04989	4.5
71.08595	0.8
73.02904	2.3
77.03920	1.3
77.90587	0.5
79.05483	62.2
81.03413	10.7
81.07047	79.7
83.04964	9.6
83.08611	12.8
85.02894	10.8
85.06523	3.6
87.04479	0.9
91.03952	3.8
91.05469	43.0
93.07030	73.5
95.04960	12.9
95.08595	50.3
97.02886	8.1
97.06517	12.2
97.10151	6.4
98.21521	1.1
99.04484	3.1
99.08080	3.4
101.02335	0.7
103.05473	1.6
104.56205	0.6
105.04536	1.2
105.07018	34.7
107.04954	6.2
107.08578	43.4
109.02875	2.3
109.06515	8.2
109.10145	23.6
109.10899	1.1
111.04444	1.2
111.08064	4.5
113.09618	0.9
115.05436	1.7
117.07008	17.0
119.08564	25.7
121.06495	3.8
121.10129	27.0
123.08057	4.8
123.11694	7.0
123.90674	0.7
125.09620	3.8
127.03902	4.3
128.06270	1.4
129.05478	2.2
129.06975	5.2
130.07796	0.7
131.04991	0.7
131.08556	24.0
133.06494	1.5
133.10115	23.8
133.79642	0.5
135.08035	3.3
135.11679	20.2
137.09660	2.9
137.13245	2.1
139.11186	1.5
141.07019	1.9
142.07736	0.8
143.08554	5.0
144.09378	0.6
145.04907	1.6
145.06488	1.0
145.10098	16.7
147.08011	1.1
147.11655	11.4
149.05981	0.9
149.09612	9.4
149.13240	12.9
151.11182	1.3
153.12726	0.8
155.08510	2.9
157.10110	5.7
159.11667	15.4
161.09599	1.0
161.13251	7.0
163.06052	1.7
163.11157	5.4
163.14815	2.6
165.12778	1.2
169.10115	2.5
171.11655	4.6
173.04567	3.0
173.09631	0.7
173.11806	0.8
173.13226	7.4
175.11205	1.5
175.14813	2.5
177.12747	4.1
177.16403	0.8
179.14218	1.6
181.10103	1.0
181.12126	0.6
183.11676	2.7
185.13248	3.1
187.11180	1.0
187.14798	2.4
189.11212	2.0
189.12762	1.2
189.16321	0.9
191.10468	0.8
195.11646	0.6
195.13776	3.5
197.13284	1.6
199.14812	2.1
201.12769	1.1
201.16420	1.8
205.15843	0.7
209.13383	0.9
211.14862	1.1
213.16499	1.0
215.10896	0.7
215.14365	0.9
215.17934	1.1
219.17432	0.9
221.15298	0.8
225.16373	0.9
227.12727	4.3
229.14305	3.9
229.19470	0.9
235.16832	0.8
239.17999	2.7
243.21046	3.7
247.20595	1.5
255.15842	5.7
257.18942	4.9
259.20596	2.6
261.22095	12.0
261.24789	0.9
267.15939	1.7
269.17447	21.4
275.20020	21.6
277.21606	1.0
291.19424	0.7
293.17886	0.8
293.20938	2.8
301.21671	0.9
309.20447	1.5
317.24792	2.3
331.22552	2.2
333.24219	2.7
335.25757	100.0
336.26166	1.2
349.23694	24.3
367.24692	3.4
395.20554	1.1
413.21597	2.1
419.24481	1.0
437.34036	1.7
455.34906	0.7
475.34366	0.6
487.33600	0.8
489.35623	3.9
493.27850	1.0
505.35077	1.8
511.29678	1.0
511.38159	1.3
513.39545	0.8
515.37250	20.2
529.38831	81.0
530.39209	1.4
545.38000	1.0
547.39374	0.8
569.41962	8.7
609.45026	40.1
610.45013	1.3
627.36517	1.0
627.46173	14.3
633.39362	0.7
649.39557	0.8
655.42065	1.3
673.42847	3.4
691.43176	1.1
693.46875	1.4
753.49188	1.1
756.59735	0.7
771.50616	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	991.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.5
69.07061	0.9
69.46511	0.3
71.01342	0.3
71.04959	0.3
71.35698	0.6
73.02911	1.7
79.05485	1.8
81.03414	0.8
81.07040	1.4
85.02885	3.2
91.03948	1.6
91.05473	2.0
93.07018	2.2
95.04975	0.5
95.08627	1.1
97.02873	2.8
99.04488	0.6
101.02384	0.9
105.07029	1.5
107.08620	0.5
109.02882	0.5
109.10162	0.6
117.07034	0.5
119.08597	1.0
121.10176	0.8
127.03933	0.9
129.05521	0.3
131.08554	0.6
133.10120	0.7
135.11713	0.6
138.87512	0.3
139.03935	0.3
145.10124	0.7
147.11693	0.6
149.13257	0.4
154.86087	0.3
159.11687	0.4
185.04294	1.1
195.00372	0.5
201.03729	0.8
203.05374	0.8
203.19864	0.3
213.08047	0.3
233.53946	0.3
238.65674	0.3
243.08382	1.7
259.07916	0.6
301.08978	0.6
317.20969	0.9
329.08145	0.5
347.09399	3.7
355.13745	0.3
363.09064	1.3
365.10730	0.6
373.23843	0.4
405.13635	6.0
405.18469	0.4
437.21582	0.3
463.14072	1.4
465.21069	0.6
475.14224	0.5
477.15936	0.7
503.16891	0.4
517.19275	0.5
525.22742	0.3
535.16406	0.4
535.28668	5.9
545.22278	0.4
559.23376	0.8
593.27795	0.4
607.31244	0.4
627.26514	0.8
672.81110	0.3
687.28735	0.9
697.33954	7.9
769.36108	1.3
829.50891	0.7
839.43909	0.3
853.45367	0.4
881.63135	0.3
973.55737	0.4
991.55853	100.0
992.56702	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	991.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.4
69.07064	0.8
69.30536	1.8
69.30965	1.4
71.01362	0.6
73.02914	2.6
79.05476	1.8
81.03426	1.1
81.07048	2.5
83.51363	0.3
85.02892	3.8
87.04446	0.3
91.03930	2.6
91.04328	0.2
91.05495	1.4
93.07036	1.5
95.04981	0.7
95.08583	1.7
97.02881	3.5
98.20645	0.6
99.04446	0.8
101.02388	1.3
105.07030	0.9
107.08585	1.3
109.02861	0.3
109.10136	0.5
119.08586	0.7
121.10130	0.4
125.09726	0.3
127.03887	1.4
131.08588	0.5
133.10153	0.4
135.11700	0.4
145.10098	0.4
147.11781	0.4
185.04218	0.5
203.05328	0.6
243.08470	1.6
259.08044	0.4
266.75742	0.3
274.20847	0.3
333.20450	1.3
347.09509	1.8
363.08972	0.5
365.10657	0.9
389.23297	0.4
405.13666	4.7
439.19879	0.4
453.21271	0.6
519.29199	4.5
551.28156	2.5
681.34528	6.2
682.34949	0.3
713.33411	2.8
804.75079	0.4
829.50476	0.9
887.91144	0.4
893.48676	0.4
986.50677	0.3
991.55884	100.0
992.56091	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	993.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71938	0.0
69.07043	0.1
70.06579	0.1
71.07365	1.9
78.37352	0.1
78.37819	0.0
79.05462	0.1
80.97429	0.1
81.07040	0.4
86.09692	25.3
87.10024	0.2
91.05463	0.1
93.07039	0.2
95.04958	0.1
95.08588	0.2
98.21491	0.2
98.98444	1.9
98.99100	0.1
104.10725	2.5
105.07029	0.1
107.08576	0.1
116.99483	0.1
124.99985	17.3
126.00386	0.1
143.01042	0.4
163.01514	0.1
166.02640	0.2
184.07312	100.0
185.07649	0.8
230.51921	0.1
233.62486	0.1
248.77701	0.1
258.10999	0.2
297.15253	0.1
335.25769	0.2
473.03571	0.1
500.31308	1.9
501.31644	0.1
518.32361	25.5
519.32733	1.2
590.47119	0.1
607.53027	0.1
934.12476	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	997.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.3
69.07063	2.0
70.31731	0.8
70.32140	0.7
71.04976	0.5
79.05487	5.5
81.03408	0.5
81.07053	6.4
83.04987	1.7
83.08611	1.3
85.02894	0.8
85.06488	0.3
91.05473	4.2
93.03393	1.3
93.07033	5.1
95.04964	1.6
95.08595	5.3
97.02869	0.9
97.06535	0.5
97.10151	0.8
103.05442	0.6
105.07021	2.4
107.04956	0.9
107.08599	2.1
109.06493	0.6
109.10146	2.3
111.04430	5.5
111.08102	0.3
115.05457	1.1
117.07016	1.6
119.04916	0.5
119.08569	1.4
121.02834	1.0
121.06529	0.5
121.10136	2.0
123.04439	4.1
123.11703	0.5
125.09637	0.5
126.52289	0.4
127.03918	1.1
129.06990	0.8
131.04924	0.7
131.08545	1.6
133.06404	0.4
133.10115	1.2
135.04402	2.3
135.11676	1.0
137.05959	0.7
139.03889	100.0
140.04254	0.8
141.05438	1.0
141.06976	0.6
143.04880	0.4
143.08521	0.7
145.06470	1.1
145.10127	0.9
147.04391	0.9
147.11647	1.0
149.05974	2.6
149.13278	0.9
151.03888	7.3
151.11143	0.3
152.06166	0.3
153.01801	0.4
153.05463	0.8
153.06972	1.0
155.04892	0.6
157.06467	0.6
157.10178	0.3
159.04391	0.4
159.11703	0.9
161.05962	4.7
161.13280	0.7
163.03894	32.5
163.14911	0.3
164.04150	0.7
165.05472	1.3
165.06937	0.7
167.03418	0.3
167.08598	0.6
169.06448	0.7
173.05963	9.5
173.13303	0.4
175.03914	1.3
175.07552	1.3
177.05466	4.9
179.03340	1.7
180.19321	0.3
181.04958	4.7
181.06490	1.3
183.04301	0.3
183.07996	0.6
185.05994	1.1
187.03912	1.5
187.07536	6.1
189.05418	2.2
189.09154	0.5
191.07013	0.7
193.04924	0.6
193.06581	0.4
195.08212	0.7
197.06003	1.3
199.07530	4.6
200.04680	0.3
201.05525	2.1
201.09082	1.7
203.03355	0.3
203.07077	0.5
205.04942	10.5
205.10240	0.4
207.08124	0.5
209.05907	0.4
209.09627	0.4
210.06952	0.4
211.07512	2.8
212.08363	0.3
213.05504	1.7
213.09044	1.9
214.06229	0.4
215.07033	0.9
217.04936	1.3
219.06378	0.4
223.07584	1.2
225.09109	1.3
226.06262	0.5
227.07014	1.1
227.10672	0.4
229.04996	2.1
235.05733	1.5
236.08217	0.3
237.09119	0.9
239.06979	0.6
241.04906	0.5
241.08609	0.4
243.20947	0.4
245.04376	0.4
247.06015	3.2
249.09081	0.4
251.06998	0.4
251.10567	0.5
251.14314	0.4
255.13680	0.3
259.20584	0.9
261.22073	2.1
265.06918	1.9
267.13770	0.8
269.15219	0.5
271.05920	0.5
279.06729	0.4
279.13602	0.7
281.15335	0.4
283.08151	6.9
285.07419	0.5
285.14886	0.6
287.16513	0.6
289.03531	0.4
293.15393	0.6
295.06003	2.1
295.13138	0.4
297.07428	0.5
297.14825	0.9
299.16522	0.5
301.09171	10.4
302.58109	0.3
303.06393	0.4
305.08115	0.4
308.06738	0.6
309.07495	0.7
309.14734	0.6
311.16409	0.4
313.06992	1.4
313.14410	0.5
315.15894	5.9
317.08200	0.5
321.07443	1.0
321.14993	0.5
325.14313	0.8
327.15878	2.4
333.24393	0.5
335.09167	0.7
335.25763	16.1
337.27087	0.5
339.15903	2.7
341.17667	0.6
353.17514	0.4
359.18616	1.0
371.18604	0.4
383.18820	0.4
389.19574	2.6
399.18326	0.3
401.19501	1.1
409.16861	0.4
413.19281	0.7
419.18729	0.4
421.16324	3.0
429.17123	0.6
431.20184	0.4
447.18042	4.3
465.19086	4.0
495.20239	0.4
513.19104	0.6
521.21460	1.6
531.19934	0.4
537.20367	0.4
539.22589	2.7
557.23669	0.4
557.36169	0.5
599.37018	0.5
619.39697	0.4
621.40649	0.4
631.39722	0.4
635.38654	0.4
647.38922	0.6
649.41028	3.6
661.40887	2.0
673.40692	1.3
677.40289	1.0
679.41785	1.3
691.41907	0.9
707.38745	0.4
773.42596	1.6
781.43097	0.6
799.43939	4.1
817.45337	3.7
897.01941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.5
69.07059	1.7
70.74973	0.7
71.01350	0.4
71.04973	0.4
79.05483	5.6
81.03411	0.3
81.06564	0.4
81.07047	6.7
83.04972	1.4
83.08607	0.9
85.02889	1.2
91.05472	4.1
93.03396	0.9
93.07029	6.0
94.07421	0.2
95.04964	2.1
95.08029	0.4
95.08591	5.1
97.02873	1.0
97.06507	0.5
97.10153	0.6
99.08099	0.2
103.05452	0.6
105.07040	2.4
107.04943	1.0
107.08580	2.7
109.06523	0.5
109.10141	2.2
111.00784	0.4
111.04423	5.3
115.05453	0.8
117.07023	1.0
119.08556	1.9
121.02856	0.9
121.06502	0.6
121.10120	2.1
123.04421	3.4
123.08026	0.3
123.11681	0.6
125.06044	0.2
127.03922	1.4
128.06227	0.3
129.06998	0.7
130.94299	0.2
131.04932	0.8
131.08578	1.5
133.06468	0.4
133.10088	1.3
135.04416	2.1
135.11676	1.3
137.02377	0.2
137.05959	0.5
139.03882	100.0
140.04221	1.4
141.05458	0.7
141.06976	0.8
143.04913	0.4
143.08562	0.4
145.06421	1.1
145.10103	0.7
147.04414	0.9
147.08011	0.3
147.11656	0.8
149.02325	0.5
149.05978	2.2
149.09491	0.3
149.13268	1.0
151.03883	7.2
153.01846	0.3
153.05460	1.1
153.07013	0.7
155.04895	0.5
155.08530	0.6
157.06458	0.8
157.10091	0.3
159.04379	0.3
159.11708	0.7
161.05965	4.6
161.13255	0.7
163.03885	31.7
164.04263	0.4
165.05472	1.6
165.07019	0.6
167.03363	0.3
167.08621	0.6
169.05069	0.3
169.06502	0.8
171.08029	0.6
173.05962	8.7
173.13156	0.6
174.06487	0.3
175.03937	1.0
175.07503	1.5
175.14731	0.3
177.05435	4.8
179.03387	1.5
179.07011	0.3
179.08545	0.3
181.04950	5.0
181.06485	1.4
181.09908	0.3
183.08015	0.8
185.05959	1.0
187.03947	1.5
187.07507	5.1
187.14798	0.4
189.05476	2.4
189.09105	0.5
191.03371	0.4
191.06989	0.8
191.08563	0.3
191.39165	0.3
193.04922	0.5
193.06503	0.4
195.08046	1.0
197.05998	1.2
198.06703	0.6
199.07516	4.4
200.04555	0.2
201.05444	2.0
201.09097	1.6
203.07085	0.6
205.04936	10.0
207.08038	0.4
207.68037	0.3
209.05962	0.4
209.09586	0.5
210.06775	0.3
211.07533	2.7
212.08234	0.4
213.05511	1.6
213.09073	2.3
215.06998	1.0
217.04907	1.2
219.06351	0.3
223.07654	1.2
223.14703	0.3
225.09082	0.9
226.06100	0.4
227.06992	1.2
227.10522	0.3
229.04909	2.1
229.08513	0.3
235.05910	1.9
237.05406	0.3
237.09085	0.9
238.09940	0.3
239.10667	0.5
243.20982	0.3
245.04422	0.3
247.05923	2.4
251.07072	0.6
251.10736	0.5
253.12173	0.4
259.20587	1.0
261.22089	1.6
265.06900	1.3
265.12088	0.3
267.13757	0.6
269.15332	0.5
271.06015	0.5
273.08969	0.3
273.14676	0.3
275.20294	0.3
279.13852	0.6
281.08066	0.3
281.15320	0.4
283.08179	5.5
283.13104	0.2
285.07434	0.3
285.14865	0.3
287.16357	0.7
289.03595	0.4
291.13782	0.6
293.15173	0.4
295.05957	1.6
297.14832	1.0
299.16428	0.8
301.09146	10.4
301.14273	0.5
303.06207	0.3
305.08173	0.4
308.06802	0.7
309.07437	0.8
309.14835	0.7
311.09241	0.3
311.16348	0.4
313.07001	0.8
313.14343	0.5
315.12491	0.5
315.15887	5.5
317.07968	0.5
321.07477	1.0
321.14798	0.8
322.08307	0.4
323.09189	0.4
323.16455	0.6
325.14252	1.0
327.15924	2.3
333.07446	0.4
333.24213	0.5
335.09058	0.8
335.25760	16.2
336.26059	0.7
337.17380	0.3
337.27383	0.3
339.15823	2.7
341.17178	0.4
353.17529	0.3
357.16968	0.3
359.18573	1.2
371.18427	0.6
375.18439	0.3
377.17465	0.3
387.18277	0.3
389.19473	2.7
399.17627	0.3
401.19696	1.6
404.37524	0.2
413.19327	0.8
419.20038	0.3
421.16418	2.4
429.16867	0.4
437.19592	0.4
447.18024	5.0
465.19064	4.1
471.18066	0.5
481.70670	0.3
489.18826	0.4
495.19952	0.7
503.20584	0.4
521.21667	1.5
531.19977	0.3
539.22791	2.3
544.60565	0.3
557.23627	0.7
557.35907	0.4
599.36761	0.5
612.79230	0.3
619.39642	0.6
621.41083	0.4
635.39752	0.3
637.40314	0.4
647.38977	0.4
649.40662	3.5
661.41028	1.9
667.41980	0.8
673.41058	1.2
677.40302	1.2
679.41949	1.2
691.41449	1.1
755.41455	0.4
773.42462	1.9
799.43866	4.5
800.43878	0.5
817.45300	3.0
823.43964	0.5
841.45026	0.4
865.43719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5712
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	9.4
72.99191	1.1
73.02817	1.3
79.68572	0.3
81.03345	0.5
83.01284	1.1
83.04908	0.9
84.02086	0.5
84.46644	0.3
85.02840	9.8
87.00775	1.9
89.02335	9.4
95.01295	0.6
95.04916	0.7
96.95909	1.4
97.02843	2.7
97.06486	1.9
99.00793	0.5
101.02350	6.4
109.06509	0.4
111.00757	0.3
111.04421	0.4
111.08087	0.6
113.02351	4.0
119.03436	1.8
119.08608	0.3
121.02869	0.3
124.91812	0.3
125.02345	3.1
125.09641	1.0
127.11214	1.6
131.03485	0.4
131.60980	0.3
137.02322	0.3
137.09651	2.4
143.03429	1.2
148.96181	0.2
153.09138	0.7
155.10669	1.0
161.04503	1.8
165.12747	0.5
167.10661	0.4
167.14355	0.5
171.10214	27.7
172.10538	0.6
177.12752	0.8
179.05569	3.4
179.14397	0.4
181.12318	0.4
183.13832	1.8
185.11816	0.8
193.12294	1.1
195.13899	4.1
196.14554	0.3
197.11757	0.5
199.09622	0.3
201.11259	1.3
209.11783	1.6
211.13379	11.0
212.13602	0.3
221.06664	1.5
221.11745	1.7
223.13367	2.5
227.12930	0.3
228.13597	0.3
229.14445	8.4
235.08229	2.3
236.78951	0.3
239.12965	1.6
247.20679	0.4
253.09213	0.7
256.13062	0.5
265.21964	0.4
273.18628	0.3
275.20178	2.1
287.07840	0.7
289.06940	0.3
291.19739	3.4
293.21283	40.2
294.21646	2.5
305.08829	1.2
307.19278	0.3
309.20776	11.3
310.21188	0.6
323.09830	0.7
327.21814	100.0
328.22150	4.8
351.21802	0.6
397.13577	19.2
398.13831	1.1
415.14651	19.6
416.14874	1.1
462.08362	0.3
487.34607	0.4
531.28101	0.3
538.25531	0.3
545.30035	0.4
591.85938	0.3
603.42761	4.8
604.42865	0.3
644.93390	0.4
654.27551	0.3
691.35547	3.5
707.35065	11.1
708.35553	1.0
725.36243	11.0
726.36377	1.1
1001.57513	1.8
1002.56494	0.3
1023.93677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01059	1.3
75.00755	0.4
77.76908	0.2
78.95790	27.4
80.32911	0.2
82.95288	0.2
96.96862	2.3
98.20521	0.5
102.10375	0.2
107.38281	0.2
112.88795	0.3
114.45175	0.2
116.92839	0.2
122.80398	0.2
130.85277	0.2
150.97952	0.4
152.99519	37.8
171.00583	10.8
227.03285	2.9
245.04338	49.6
246.04741	0.9
253.21750	20.0
254.22116	0.9
260.93781	0.2
263.92300	0.2
312.80621	0.2
340.07193	0.3
355.84744	0.2
389.23322	0.2
481.25803	100.0
482.26132	8.0
487.34857	0.3
618.56226	0.3
867.45990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6614
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95796	4.3
81.74441	0.2
88.98675	0.2
96.95874	0.2
116.92719	0.2
152.99471	0.9
153.86546	0.2
159.95122	0.2
168.04222	0.4
196.59448	0.2
224.06879	1.6
235.89656	0.2
242.08005	0.7
259.20807	0.2
277.21786	16.6
278.22122	1.1
305.95630	0.2
309.80374	0.2
309.83850	0.2
469.32602	0.3
485.33044	0.3
486.33298	0.6
487.34384	100.0
488.34714	11.5
502.29517	39.1
502.37363	0.3
503.29822	3.7
537.74603	0.2
925.60028	0.2
945.59094	0.6
1004.66193	2.8
1005.67023	0.5
1038.04321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6613
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	0.2
75.91858	0.1
78.95785	2.0
79.23053	0.2
84.87483	0.1
92.95283	0.1
96.95912	0.2
112.24853	0.1
125.02365	0.2
152.99521	0.9
168.04279	0.4
208.83667	0.2
224.06969	0.3
231.77991	0.1
242.08031	0.8
243.75731	0.1
261.22333	0.2
273.83221	0.1
279.23334	33.1
280.23679	2.4
363.26993	0.7
377.28857	0.4
379.30020	0.9
391.30173	0.7
407.29654	0.2
409.31259	1.6
418.78671	0.2
437.30731	2.2
438.30887	0.3
455.31735	47.8
456.32111	5.0
456.38467	0.2
476.28186	0.2
485.32806	100.0
486.33154	11.1
504.31058	42.9
505.31430	3.9
509.43253	0.2
527.28735	0.2
617.13690	0.2
666.00714	0.2
945.59125	0.8
1004.66138	3.0
1005.66040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57572	0.2
73.02866	0.1
73.67412	0.1
77.90693	0.1
83.01289	0.4
85.02831	0.2
91.01795	0.2
93.03361	0.7
96.95910	0.5
99.04414	1.7
101.02360	0.7
107.01285	1.3
109.02871	0.5
113.02348	0.2
117.03381	0.1
119.05000	0.1
121.02910	0.2
125.02364	1.3
131.04944	0.2
132.02098	0.3
133.02852	0.2
134.03633	0.1
135.00822	0.8
135.02945	0.1
135.04425	0.1
137.02371	0.3
143.05011	0.3
145.02852	0.2
145.06564	0.1
151.00299	2.0
153.01866	0.3
154.04172	0.1
157.06627	0.3
159.04472	0.5
161.02428	0.4
161.04478	0.3
163.00301	1.5
164.01083	0.3
165.01855	0.3
167.04912	0.3
169.01428	0.3
169.06519	0.4
171.04434	0.6
172.05365	0.1
173.06052	0.2
174.03131	0.2
175.03891	0.3
178.99785	0.5
179.03259	0.1
183.04472	0.5
185.06047	1.3
187.03964	1.7
189.05568	0.8
195.04498	0.5
197.06050	0.6
199.03967	0.6
200.04628	0.2
201.05576	0.3
211.03941	1.5
212.04465	0.2
213.05544	1.1
214.02611	0.1
215.03474	0.2
223.03918	0.2
224.04697	0.1
227.03490	16.9
228.03842	1.0
229.05057	7.2
230.05414	0.4
239.03508	1.3
240.04272	0.5
241.05093	0.9
243.03195	0.3
255.03018	33.6
256.03604	4.0
257.04590	5.1
258.04980	0.2
267.03009	0.7
268.03806	0.2
269.10321	0.3
283.02551	0.3
284.03314	48.8
285.04071	62.0
286.04440	3.5
311.11484	0.2
327.05124	1.0
343.69629	0.1
351.14362	0.2
359.09689	0.1
365.94870	0.1
413.14563	1.3
449.71204	0.2
463.08591	0.2
593.15198	100.0
594.15552	9.4
729.37885	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04901	0.6
71.13497	0.0
71.13828	0.1
76.98209	0.0
83.04963	0.0
84.76067	0.0
89.03414	0.0
94.92451	0.0
102.27627	0.0
102.92001	0.0
119.08598	0.1
121.99451	0.0
148.00832	0.0
316.02347	0.1
357.25970	0.1
373.29095	0.1
377.28467	0.4
380.99680	0.0
389.28592	0.2
393.31668	0.6
403.26477	0.3
405.27603	0.1
407.29712	0.6
408.29922	0.1
409.31369	0.1
411.32626	0.1
419.29642	0.8
421.31079	0.1
425.30649	0.1
427.32037	0.1
435.29007	0.1
437.30649	0.2
441.34485	0.1
443.31805	1.0
444.31885	0.1
451.28860	0.1
453.30246	0.3
459.34879	0.4
467.31680	0.1
471.31491	0.2
485.32822	9.1
486.33191	1.2
487.30820	0.1
503.33862	100.0
504.34207	11.2
505.34937	0.1
529.49292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04911	0.1
71.13535	0.2
73.02822	0.1
83.04930	0.1
99.60200	0.1
117.72489	0.1
119.08564	0.2
124.62303	0.1
132.65099	0.1
191.14447	0.1
223.14961	0.1
333.37558	0.1
343.24396	0.1
357.25900	0.6
359.27502	0.3
371.27405	0.1
373.25134	0.2
373.29141	1.3
374.29489	0.1
375.26886	0.2
377.28503	0.2
379.29990	0.1
389.24258	0.1
389.28687	1.2
390.28940	0.2
391.26135	0.2
391.30432	0.8
393.31738	0.6
403.26416	0.2
404.26532	0.1
407.29614	3.2
408.29977	0.4
409.31247	0.8
419.29663	0.7
421.31165	0.2
423.32849	0.2
425.30731	0.5
427.32489	0.1
435.29156	0.2
437.30542	0.3
439.32404	0.2
441.34003	0.6
443.31665	0.2
451.28943	0.1
453.30154	0.3
455.27884	0.2
457.33374	1.7
458.33728	0.3
459.34811	0.4
467.31531	0.1
471.31372	0.1
473.33255	0.3
485.32806	14.8
486.33179	1.7
501.32407	0.3
502.32275	0.4
503.33844	100.0
504.34201	10.2
504.42157	0.2
934.84033	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05153	0.2
77.45443	0.1
88.98693	0.2
97.02849	0.1
117.92737	0.1
140.76636	0.1
163.60034	0.1
191.02469	0.1
216.29155	0.1
391.30283	0.1
407.29532	0.1
409.30948	0.2
437.30612	0.1
455.31665	0.1
501.32059	0.2
502.32611	0.3
503.33853	100.0
504.34207	12.0
505.34875	0.4
567.74133	0.1
626.54596	0.1
978.79535	0.1
1007.64655	0.1
1008.41925	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	2.9
81.03336	6.5
83.01274	16.7
85.02836	2.8
87.47051	1.8
89.33102	1.8
92.08047	1.9
93.03331	4.0
95.01295	3.8
95.04897	2.9
96.95917	25.7
97.02845	4.5
97.11308	2.0
99.04392	3.7
101.02339	2.6
107.04940	2.1
109.02866	13.1
121.02877	9.3
122.03635	3.9
123.04389	4.8
124.01549	3.9
125.02363	71.4
131.04871	1.8
133.02814	2.2
135.04454	4.8
137.02368	74.2
138.02686	4.4
139.03938	3.0
146.03664	25.5
147.04460	2.7
149.02328	3.2
150.03072	2.7
151.03937	5.3
158.03566	2.1
159.04457	13.9
160.05219	4.4
161.02364	3.0
161.05962	2.4
161.50807	1.9
163.03929	2.3
164.01093	16.2
165.01877	44.1
167.03416	20.8
172.05244	8.0
173.06000	4.6
174.03261	10.1
175.03943	6.4
177.01855	10.1
179.03462	12.7
185.05928	2.7
187.03920	7.2
188.04735	7.0
195.13994	2.9
200.04677	5.4
201.05502	6.1
204.04192	6.0
212.04692	2.9
223.07484	2.7
225.05588	5.3
225.12781	2.4
237.05443	2.4
244.07413	3.0
251.06972	2.3
252.07935	2.3
263.07224	2.5
269.11887	6.5
270.08762	3.0
270.12234	2.3
271.13391	28.6
283.13486	3.8
285.14911	4.0
287.05618	2.9
287.12848	3.0
289.07135	5.4
289.14490	7.0
293.21255	7.3
293.99814	2.3
294.09045	4.1
295.13190	2.6
297.15036	6.9
299.12860	8.2
309.15094	3.3
313.14453	17.1
315.16016	6.0
317.14148	2.7
325.14395	13.3
335.16534	2.2
337.14520	6.1
343.15524	5.6
351.16074	2.5
377.17538	5.2
395.18808	4.9
419.18567	10.5
437.19760	7.8
463.17560	6.8
717.27087	2.8
827.46460	2.7
843.45227	22.5
844.45856	4.3
855.46320	11.6
867.45520	8.3
873.46771	9.6
909.47540	2.5
949.49860	15.4
967.49744	2.6
975.47516	5.1
993.48749	100.0
994.49457	15.9
1011.49628	88.9
1012.50330	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	2.5
72.99197	0.3
83.01268	2.1
85.02836	0.8
89.02338	1.3
93.03355	0.5
95.01277	0.3
96.95907	0.2
101.02355	1.2
107.01292	5.1
108.02117	0.5
109.02844	1.6
113.02345	0.4
116.46589	0.2
119.01304	0.3
119.03395	0.3
119.04913	0.3
121.02876	2.4
121.79340	0.2
123.00707	0.2
123.04424	0.2
124.01556	0.2
125.02355	1.5
133.02869	0.4
135.00803	0.6
135.02890	0.3
135.04388	0.4
136.01620	0.2
137.02350	0.6
139.03926	0.3
143.04916	0.3
145.02876	0.3
148.01588	0.4
149.02351	1.3
149.99506	0.2
150.03090	0.2
151.00307	19.2
152.00667	0.4
153.01862	0.5
157.03009	0.2
157.06470	0.2
159.04424	0.3
161.02362	0.6
161.05940	0.2
161.13283	0.7
163.00308	1.7
163.03949	0.6
164.01068	0.7
165.01883	1.1
165.05525	0.5
169.01404	1.8
171.04388	0.6
173.02444	0.3
174.03131	0.2
175.00305	1.0
175.03961	0.6
177.01936	0.4
178.99821	7.6
179.03336	0.2
180.00188	0.2
180.04202	0.4
185.05997	0.4
187.03958	0.7
187.11292	0.8
189.01840	0.4
189.05478	0.2
190.99977	0.3
191.03448	0.3
192.00629	0.4
193.01361	0.8
195.06584	0.4
197.02393	0.2
199.03928	1.7
200.04771	0.2
201.01892	0.6
201.05522	0.7
203.03436	0.5
205.12289	0.4
211.03989	0.6
213.01985	0.2
215.03598	0.9
216.04192	0.4
225.07672	0.2
226.02742	2.1
227.03488	2.9
228.04095	0.3
229.05017	0.8
229.35828	0.2
239.03433	0.3
243.03024	6.0
244.03558	0.4
245.04553	0.6
254.02246	2.3
255.03012	5.3
256.03638	0.5
257.04544	0.5
271.02527	44.5
272.02982	3.3
273.03906	0.9
282.01703	0.2
283.02557	1.2
284.03375	1.4
285.04111	3.4
286.04428	0.2
297.04071	0.4
299.02029	28.6
300.02789	40.2
301.03568	100.0
302.03928	5.5
313.03601	1.1
329.02936	0.3
343.04636	1.2
393.15765	0.2
421.14807	0.3
424.55795	0.2
447.09390	18.4
448.09625	1.4
462.08020	0.6
463.08765	1.2
547.98779	0.2
573.22455	1.0
609.14471	0.6
635.18939	0.2
650.20270	1.3
651.20862	4.1
652.21198	0.6
677.18658	0.7
679.20660	0.4
695.19910	4.7
696.20044	0.5
797.26746	12.1
798.26929	1.6
823.24792	0.6
841.25757	26.1
842.26129	4.0
859.26819	0.5
875.26263	5.6
876.26453	0.8
1021.32129	40.7
1022.32404	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	1023.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	37.9
72.01623	0.4
72.99196	3.6
73.02834	2.1
74.52608	0.3
75.00760	0.3
80.79670	0.3
83.01277	2.4
85.02844	14.4
87.00766	1.3
88.98677	0.3
89.02338	21.6
95.01286	6.1
96.95876	0.3
99.00784	1.2
99.04419	34.0
100.04767	0.4
101.02345	7.6
112.01609	0.4
113.02360	8.7
115.00267	0.3
119.03432	1.7
123.08032	0.3
131.03435	2.3
139.00294	4.6
143.03450	0.3
149.04497	2.5
149.40520	0.3
159.03069	0.3
161.04417	0.4
179.05591	0.3
189.05586	0.4
215.07115	0.4
217.12343	2.0
219.10367	0.3
230.09511	0.6
232.11171	0.3
243.10130	0.3
245.11867	3.4
252.54752	0.3
298.48361	0.3
319.06754	0.5
325.21658	0.5
337.18149	0.3
339.23364	0.3
352.20560	0.5
353.21436	0.3
354.22623	0.3
365.21350	0.5
367.19131	0.4
369.24448	0.4
373.29028	1.1
377.28796	0.5
384.19470	0.6
391.22833	0.3
393.27606	0.4
395.25906	0.3
405.24100	0.4
407.25717	0.3
420.26746	0.6
421.27780	1.7
423.25375	1.0
423.33237	0.4
425.34656	0.5
431.25610	0.3
433.27502	0.8
434.24557	0.3
435.29083	0.8
436.25452	0.4
436.30582	0.5
437.26498	0.4
438.27930	0.9
439.24936	0.6
451.28696	2.8
452.29169	0.4
453.30234	7.3
454.30472	1.0
465.26538	1.3
469.33347	0.7
476.11060	0.3
479.31943	0.5
480.28821	0.6
485.32861	14.3
486.33133	0.7
495.31308	3.5
496.31540	0.4
501.32468	0.5
503.33902	13.8
504.33966	0.6
519.33423	5.3
521.32849	0.8
534.30316	0.7
537.28406	0.3
539.34015	0.8
549.32361	1.8
551.33685	1.2
552.31165	1.5
553.35187	0.8
567.33374	21.2
568.33691	2.6
585.34332	1.0
621.38037	16.7
622.38263	2.4
649.37646	0.8
653.37323	0.3
657.36615	5.2
658.36707	0.8
665.36981	5.8
666.37671	0.6
667.38684	1.3
693.36560	25.0
694.37109	3.7
699.34369	0.3
701.38385	0.3
711.37939	0.8
714.36395	1.9
729.38708	67.2
730.39099	10.3
811.43140	0.8
829.44049	17.4
830.44556	3.3
873.42999	10.6
873.60138	0.4
874.42944	1.6
891.44604	0.5
979.50092	1.3
1023.48328	100.0
1024.48596	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	1027.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.5
91.01778	0.2
93.03358	0.7
107.01292	2.2
108.02077	0.5
109.02864	1.1
119.01300	0.2
121.02874	1.0
124.77822	0.2
125.02338	0.6
132.02129	0.3
132.06926	0.2
133.02847	0.2
135.00801	0.7
135.04457	0.2
137.02376	0.2
143.04970	0.2
147.04472	0.2
148.01614	0.5
149.02359	0.4
151.00302	6.6
151.01523	0.3
152.00941	0.2
153.01860	0.5
157.06462	0.3
159.04442	0.3
161.02399	0.3
163.00323	2.3
164.01062	0.7
165.01874	0.7
167.04929	0.2
169.01329	0.5
169.06586	0.2
171.04453	0.4
173.06035	0.2
174.03140	0.3
175.03911	0.3
177.01869	0.2
178.99811	3.2
179.03409	0.2
180.04163	0.3
181.05026	0.2
183.04515	0.4
185.02403	0.3
185.06026	0.9
187.03938	1.4
189.05545	0.6
190.99916	0.2
195.04530	0.3
195.06616	0.2
196.05212	0.2
197.06047	0.4
198.03171	0.2
199.03981	0.7
200.04774	0.2
201.05501	0.6
203.03397	0.2
211.04025	1.7
212.04764	0.3
213.01920	0.2
213.05554	0.8
214.02733	0.3
215.03427	0.5
216.04195	0.4
226.02715	0.8
227.03503	13.5
228.03981	0.7
229.05064	5.4
230.05344	0.3
239.03407	1.0
240.04231	0.3
241.05066	0.7
243.03032	4.9
244.03703	0.5
245.04567	0.8
254.02187	1.0
255.03020	33.3
255.28336	0.2
256.03601	3.3
257.04611	2.8
267.02911	0.3
271.02530	28.7
272.02994	2.4
273.03979	0.7
283.02429	1.0
284.03326	36.8
285.04086	49.0
286.04492	2.8
299.01968	1.4
300.02805	55.9
301.03552	29.5
302.04028	1.2
327.05127	0.8
393.59528	0.2
395.42029	0.2
420.28732	0.2
432.06781	0.4
433.07825	62.0
433.56482	0.2
434.08157	3.7
593.15222	100.0
594.15570	8.3
643.23743	0.8
688.48230	0.2
895.15698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5872
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	18.1
71.56474	1.5
71.56810	1.0
72.99191	2.5
73.02824	2.6
75.22777	0.9
76.09447	1.0
81.03372	0.9
83.01276	2.1
85.02836	4.5
87.00780	4.9
89.02340	15.1
95.01274	1.4
97.02847	3.1
99.00770	1.7
101.02354	14.0
111.04359	1.2
111.08054	8.1
113.02360	7.3
116.92679	1.5
119.03397	4.6
123.70007	1.0
125.02354	6.5
143.03404	2.9
151.11227	1.0
153.12726	1.3
161.04482	4.1
169.12239	4.2
179.05568	4.4
181.12364	1.0
183.13718	1.2
191.40007	1.0
195.36919	1.0
197.11795	47.6
198.12140	1.8
199.13342	3.1
211.13390	6.2
213.02895	1.1
221.06583	1.4
225.14990	2.3
227.12834	1.9
235.08278	5.2
237.78008	0.9
263.20145	4.3
277.21765	49.7
278.22104	2.8
287.07724	1.8
288.39832	1.0
291.19745	17.3
291.22943	0.7
305.08786	2.3
309.20773	100.0
310.21185	5.9
379.12415	5.0
397.13599	56.3
398.13910	3.7
415.14667	19.5
416.15118	1.7
595.26550	1.2
675.35962	4.7
689.34052	5.6
707.35144	4.6
925.17236	1.0
967.57123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.6338
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58419	0.4
72.18487	0.3
73.02828	0.3
80.02546	0.4
81.03338	0.7
83.01297	0.4
83.04918	3.1
84.02050	0.4
85.02848	0.9
87.00774	0.6
89.02351	2.0
95.04926	1.0
96.95341	0.2
96.95922	0.5
97.02843	0.3
97.06483	0.6
101.02343	2.6
109.06512	0.3
111.08093	0.4
113.02360	1.5
116.92742	1.2
119.03431	0.6
125.02370	0.7
125.06019	0.5
135.08107	0.3
140.78192	0.3
143.04565	0.3
146.74782	0.3
147.11728	0.4
148.08945	0.3
150.10437	0.3
161.04523	1.9
163.11243	2.7
165.12808	7.5
166.13164	0.3
171.10236	0.7
177.12840	0.4
179.05594	0.9
179.14355	0.8
181.12338	0.5
191.10762	0.8
195.13884	7.2
196.14316	0.4
197.11841	0.3
205.12227	0.3
205.15891	0.4
208.84404	0.3
209.11816	94.4
210.12161	4.3
211.13382	1.4
217.15962	0.4
218.02444	0.3
223.13388	5.0
227.12901	12.7
227.15175	0.6
228.13354	1.5
231.21075	0.3
235.08232	2.3
247.20705	2.4
253.09320	20.5
254.09637	1.0
256.13235	1.2
265.21750	0.5
273.18600	1.2
275.20227	8.1
276.20615	0.6
291.19739	12.3
292.20029	0.8
293.21295	100.0
294.21606	7.5
306.07700	1.0
341.23517	0.5
445.21072	2.9
446.21130	0.4
463.21793	0.5
485.32941	1.7
492.22269	0.4
503.34055	0.9
511.29309	0.6
529.30353	4.0
530.30676	0.4
670.35266	0.5
684.33472	0.4
1031.51343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99192	2.8
73.02840	3.4
75.00764	0.7
75.19175	0.6
76.12988	0.6
80.96365	0.8
83.01295	3.5
85.02842	14.8
87.00772	2.0
88.98687	3.8
89.02334	18.9
94.97904	0.7
95.01264	4.0
96.95914	3.1
99.00795	2.1
99.04415	64.0
100.04747	1.1
101.02341	9.1
113.02351	11.1
119.03390	1.6
125.02377	1.5
131.03426	2.0
139.00298	2.1
142.81149	0.7
149.04489	2.6
161.04483	1.3
225.00752	0.9
289.18311	1.1
307.19293	1.1
407.29648	1.0
421.44107	0.7
423.90179	0.7
699.38293	0.8
709.36078	11.8
710.36316	2.1
715.37244	0.9
718.48108	0.8
745.38232	15.0
745.67682	0.8
746.38794	1.9
763.39270	2.6
804.08319	0.7
845.43384	10.6
846.44611	0.9
889.42413	15.7
890.42847	2.2
939.42291	0.9
1008.04132	0.8
1039.47913	100.0
1040.48303	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	1049.6438
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02819	0.4
79.95620	0.3
83.04886	0.3
85.02837	0.7
89.02331	1.6
93.29105	0.3
96.95919	3.2
97.06478	0.4
98.95485	0.5
101.02333	3.1
113.02341	1.2
113.09622	1.0
119.03398	0.9
119.08546	0.4
125.02370	0.9
129.28540	0.3
151.00346	0.3
161.04504	1.5
165.01895	0.5
165.12793	1.6
167.14301	0.5
177.01894	0.5
181.12273	1.5
193.12288	0.8
195.13863	1.3
209.11792	0.5
211.13396	2.3
221.15431	1.2
229.14410	0.5
236.50819	0.4
240.13698	0.4
241.56602	0.3
247.20680	2.3
253.06683	0.7
253.09317	14.0
263.20111	0.5
273.18695	1.5
281.21225	1.0
291.19711	22.3
292.19995	1.2
296.95193	0.3
309.20758	59.6
310.21085	3.8
311.22482	0.5
357.26105	0.7
371.27325	0.3
373.29092	1.5
377.28516	0.5
391.30365	0.5
393.31628	0.8
403.26404	0.4
407.29535	1.1
409.31696	0.4
419.29483	1.4
423.33063	0.5
437.30444	0.4
441.33798	1.4
443.31638	1.8
447.22617	0.6
453.30295	0.4
459.34824	0.7
473.32477	0.5
476.22806	0.6
485.32825	28.5
486.33148	3.3
503.33887	100.0
504.34247	10.0
527.29053	0.5
532.26904	1.1
545.29767	88.8
546.30072	7.7
546.38440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02840	1.2
75.00770	0.2
80.96409	0.3
83.01285	1.5
84.02065	0.2
85.02841	9.4
87.00760	1.1
88.98644	0.2
89.02337	16.1
95.01287	4.1
96.95898	0.3
97.02846	0.4
98.93716	0.2
99.00790	0.9
99.04417	19.1
100.04791	0.3
101.02347	6.3
112.01581	0.4
113.02354	7.2
119.03427	1.8
123.55542	0.2
125.02391	0.8
131.03424	1.9
137.02374	0.5
139.00302	3.7
149.04504	2.5
157.01363	0.4
161.04504	0.9
165.01894	0.2
172.09175	0.2
179.05571	0.4
201.12793	0.4
229.12213	0.3
229.53157	0.2
261.09741	0.5
319.06851	0.7
340.61429	0.2
369.24554	0.4
371.25909	0.5
376.23810	0.2
399.25748	0.3
413.27127	0.4
421.27661	0.8
435.29150	2.6
436.30032	0.2
437.30740	2.7
438.31287	0.2
453.30270	3.0
454.30429	0.4
455.31696	2.4
456.32349	0.3
479.31961	0.3
485.28879	0.9
495.26770	0.2
497.32977	0.2
505.33298	0.4
511.34308	0.2
513.28900	0.9
517.31543	0.4
523.34259	0.7
533.32623	0.3
535.30090	1.1
536.31720	0.3
550.29425	0.7
551.34076	5.0
552.34192	1.0
555.37610	0.4
568.31653	0.2
569.34979	6.5
570.35632	1.0
583.36688	1.0
587.35059	0.3
605.38696	0.3
623.39734	1.9
624.41150	0.2
633.38397	0.3
651.38953	0.5
652.37628	0.2
653.40710	9.8
654.41272	1.2
669.40582	0.8
675.34039	0.7
681.40204	0.3
697.39575	4.0
697.51831	0.3
698.38562	0.4
713.39282	1.8
714.39764	0.3
725.39221	20.8
726.39581	3.1
730.36041	1.4
731.40302	18.2
732.40704	2.6
761.41864	1.1
813.44531	26.5
814.44800	4.3
831.45685	4.7
832.45795	0.7
861.46344	1.8
862.47870	0.2
905.45563	9.3
906.46167	1.4
923.47565	0.5
1011.52026	0.8
1055.50891	100.0
1056.51172	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	1059.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01281	0.9
83.04918	0.8
85.02852	1.7
87.00777	1.8
89.02332	6.5
97.02843	2.0
99.00787	1.1
101.02337	6.5
111.08060	7.3
113.02348	4.3
114.22875	0.7
115.99361	0.7
119.03423	1.8
125.02391	4.3
127.07589	1.3
143.03453	1.1
153.12782	1.0
161.04463	1.8
165.12750	0.7
169.12245	3.8
171.10196	0.8
176.26112	0.7
179.05528	2.4
181.12259	1.4
197.11809	41.7
198.12144	1.7
198.29288	0.8
199.13388	1.9
209.11809	1.2
211.13356	6.9
221.06613	1.8
227.12837	1.2
235.08206	2.1
235.16888	0.9
247.20734	1.0
263.20230	2.4
273.18616	1.2
275.20245	0.9
281.20139	0.6
291.19699	17.8
293.21246	1.0
305.08789	1.8
308.20013	0.7
309.20764	100.0
310.21011	5.2
341.22955	0.8
376.97900	0.8
379.12567	1.0
397.13538	22.7
398.13876	1.8
415.14627	15.1
416.15192	1.1
418.61765	0.7
463.28320	0.7
568.02063	0.8
595.26465	1.3
601.41077	2.0
689.34320	6.5
690.34644	0.9
707.35156	11.0
708.34589	1.2
999.55054	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	1073.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
77.82555	0.1
83.01270	1.0
83.18534	0.2
91.01764	0.2
93.03414	0.2
98.19816	0.6
98.97408	0.2
107.01293	3.0
108.02056	0.8
108.34582	0.2
109.02863	1.5
119.01244	0.2
121.02858	1.4
124.01581	1.3
125.02310	0.4
135.00844	0.5
137.02345	1.9
148.01595	0.7
149.02458	0.2
151.00294	11.2
152.01031	0.5
153.01917	0.2
159.04446	0.3
159.26508	0.2
161.02354	0.2
163.00320	2.3
164.01051	1.5
165.01840	0.3
169.01353	0.7
175.03915	0.3
178.99812	6.5
183.04471	0.4
187.03954	0.5
188.04779	0.3
190.02689	0.2
190.99854	0.4
192.00577	0.6
193.01422	0.2
198.03221	0.2
199.03908	0.7
201.05621	0.2
203.03397	0.9
204.04243	0.3
211.03964	0.6
212.04889	0.2
213.01900	0.3
214.02696	4.7
215.03326	0.8
216.04276	0.3
226.02686	0.9
227.03500	2.5
229.01590	0.3
229.05121	0.4
230.02235	0.2
231.03014	0.2
232.03755	0.4
238.27097	0.2
239.03542	0.4
241.01572	0.2
242.02216	3.3
243.00487	0.4
243.02988	8.2
244.03481	0.9
245.04546	1.1
254.02185	1.3
255.03008	16.1
256.03387	1.0
259.02493	3.9
259.05197	0.2
260.03061	0.4
261.04065	0.3
270.01743	4.1
271.02515	60.8
272.02954	4.3
273.03979	0.8
283.02536	1.0
287.02014	13.8
288.02585	1.0
299.02036	1.4
300.02789	49.1
301.03516	19.2
302.03833	1.0
306.35675	0.2
315.01657	0.7
316.02277	43.6
317.02945	9.9
318.03384	0.6
331.52863	0.2
343.04828	0.3
463.08896	53.1
464.09250	4.1
475.29456	0.2
542.58087	0.2
609.14697	100.0
610.15039	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	1083.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00760	0.5
83.01267	2.8
85.02840	14.6
85.99962	0.3
87.00768	2.2
89.02335	26.5
90.02725	0.2
95.00712	0.4
95.01287	4.7
96.95917	0.4
97.02846	0.5
99.00765	1.6
99.04417	21.3
100.04753	0.3
101.02338	11.1
111.00795	0.3
112.01585	0.4
113.02351	13.1
114.02810	0.2
119.03410	2.6
121.02862	0.2
125.02364	0.9
131.03430	6.2
137.02356	0.3
139.00308	4.2
143.03421	0.7
149.04494	6.6
159.02919	0.7
161.04503	4.3
177.01923	0.3
179.05608	0.6
257.06723	0.4
281.40430	0.2
319.06799	0.6
427.49634	0.2
485.32651	0.3
604.36481	0.3
611.39655	4.1
612.40283	0.4
613.41071	0.9
681.43750	18.6
682.44037	2.7
709.43359	1.5
725.42761	6.4
726.43616	0.9
753.42334	24.9
754.42657	3.8
789.44434	0.8
799.45795	0.4
889.49738	30.9
890.50024	4.9
933.48651	9.1
934.49152	1.6
951.49890	0.7
1039.56006	1.3
1062.86768	0.2
1083.54016	100.0
1084.54407	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00802	0.5
83.01271	2.9
85.02846	14.8
87.00751	1.5
89.02335	23.8
95.01281	5.0
99.00771	1.7
99.04422	16.9
101.02345	12.5
102.76635	0.5
110.63340	0.6
113.02360	11.4
114.85240	0.5
119.03406	3.2
121.02948	0.5
125.02357	2.1
131.03419	4.7
135.02919	0.5
137.02354	0.7
139.00317	3.6
142.54364	0.5
143.03383	0.8
149.04492	6.0
159.02930	0.7
161.02370	0.6
161.04503	4.9
179.05634	0.6
289.07376	0.6
319.06891	0.6
338.36627	0.6
503.33917	1.7
611.39551	2.1
613.41223	1.2
641.44061	0.5
658.58563	0.6
677.01062	0.6
681.43817	16.1
682.44153	2.5
709.43195	1.8
725.42969	5.3
726.44171	0.6
753.42328	24.0
754.42883	3.6
849.81207	0.5
889.49780	32.5
890.50458	3.5
933.48566	9.0
934.49603	1.8
1039.55249	1.0
1083.54028	100.0
1084.54395	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	1085.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00754	0.6
75.50690	0.3
83.01270	3.1
85.02841	15.7
87.00774	2.7
89.02336	28.7
95.01284	7.6
97.02836	0.6
99.00779	3.0
99.04414	12.0
101.02345	21.2
113.02356	16.3
113.03167	0.6
114.02704	0.4
117.01845	0.4
119.03419	12.1
119.73765	0.3
120.50848	0.3
125.02292	0.6
131.03430	1.7
139.00296	5.3
143.03436	3.7
149.04498	1.2
157.01346	0.3
161.04515	3.4
179.05563	7.7
195.40910	0.3
303.62704	0.3
319.06836	0.6
353.25061	0.4
369.24399	0.4
379.36804	0.3
407.29614	0.5
419.25595	0.4
435.29144	2.7
437.30579	2.3
438.30914	0.6
446.23367	0.3
453.30304	3.7
455.31677	1.5
472.77484	0.3
485.29202	0.7
505.33771	0.7
513.28918	0.6
523.34595	0.6
535.31226	0.6
538.97131	0.3
549.27905	0.5
551.33911	3.4
552.34277	0.5
568.30658	0.4
569.35004	4.1
570.35602	0.6
583.36566	2.4
605.38562	0.6
623.39917	2.2
653.40753	19.9
654.41217	2.7
681.40161	0.5
697.39655	5.2
698.39941	1.0
713.39386	0.9
725.39215	37.5
726.39447	5.8
730.36621	0.7
731.40302	5.1
732.40460	0.5
748.87323	0.3
761.41064	0.8
813.44507	10.0
813.67767	0.4
814.44824	1.6
831.45734	2.9
861.46515	1.3
905.45630	18.0
906.45935	3.5
923.46588	1.4
985.88629	0.4
993.51074	0.8
1041.53564	0.6
1067.50867	4.3
1068.51440	1.0
1085.51941	100.0
1086.52185	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01281	0.4
85.30727	0.1
85.55885	0.1
104.92525	0.1
107.01306	1.4
109.02859	1.0
111.00822	0.1
123.00832	0.2
124.01572	1.4
125.02388	0.6
127.60692	0.1
135.00787	0.4
136.01555	0.3
137.02373	2.6
139.00293	0.1
148.01633	0.1
149.02351	0.1
151.00304	6.9
152.01115	0.7
153.01927	0.2
161.02350	0.2
163.00322	1.3
164.01083	1.1
165.01891	0.4
169.01427	0.8
171.04517	0.1
173.02426	0.1
175.03998	0.2
177.01891	0.3
178.99815	6.0
180.00154	0.2
183.04488	0.1
185.02472	0.1
186.03233	0.1
187.03943	0.3
189.01895	0.2
190.02582	0.1
190.99953	0.2
192.00607	0.4
193.01372	0.3
198.03180	0.1
199.03981	0.4
201.01881	0.1
202.02740	0.1
203.03497	0.8
204.04239	0.3
211.03745	0.1
213.01894	0.1
214.02692	4.7
215.03430	0.7
216.04251	0.2
219.02963	0.1
226.02629	0.1
227.03477	0.9
229.01350	0.2
231.02972	0.3
232.03786	0.5
242.02223	4.6
243.02997	2.8
244.03687	0.3
245.04527	0.2
255.03023	0.3
259.02512	4.5
260.03021	0.3
261.04111	0.3
270.01749	5.8
271.02518	31.3
272.02872	1.3
287.02020	18.3
288.02615	1.7
289.03583	0.2
299.01941	0.5
300.02811	0.6
301.03668	0.5
315.01483	1.1
316.02283	85.6
317.02979	21.3
318.03381	0.6
329.03070	0.1
462.07712	0.6
463.08893	100.0
464.09229	5.6
464.15939	0.2
479.08414	1.0
609.15057	0.3
625.14178	9.2
626.14343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6491
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95791	7.0
79.95644	0.1
80.96404	0.4
83.04933	0.2
85.02834	0.1
87.61341	0.1
96.96853	0.1
100.25674	0.1
127.07541	0.2
152.98352	0.1
152.99525	1.6
168.04245	1.6
171.00620	0.1
205.19493	0.1
209.11778	0.1
224.06929	1.2
225.00754	0.1
233.22766	0.5
242.08002	2.9
259.20676	0.5
275.20215	0.4
277.21762	97.8
278.22095	5.8
335.36230	0.1
464.76147	0.1
502.29492	100.0
503.29837	7.9
507.99786	0.1
517.25812	1.0
576.33173	4.7
577.26233	0.8
577.34088	0.3
641.78986	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01287	2.5
85.02838	13.3
87.00777	1.5
89.02334	21.9
90.02712	0.2
95.01280	5.4
96.95889	0.3
97.02850	0.4
99.00793	1.3
99.04416	46.0
100.04748	0.7
101.02341	9.5
109.02807	0.3
111.00778	0.5
112.01524	0.3
113.02354	10.4
119.03413	1.7
125.02358	1.0
125.38780	0.2
126.99906	0.2
131.03418	4.3
137.02411	0.3
139.00293	4.1
143.03415	0.4
146.60394	0.2
147.98096	0.2
149.04497	4.4
152.93997	0.2
155.63651	0.2
157.01341	0.3
159.02934	0.5
161.04517	1.8
179.05563	0.5
209.11784	0.5
227.12866	0.3
229.14529	0.3
271.02429	0.3
283.94699	0.2
319.06781	1.0
386.84045	0.2
435.29147	0.4
437.30322	0.4
453.30203	0.8
465.30078	0.2
479.31754	0.2
485.33179	0.3
525.32849	0.3
551.33459	1.5
563.34174	0.3
569.34698	0.6
581.35034	0.4
623.36279	0.4
625.37427	1.8
627.38977	0.9
628.39740	0.3
635.38483	0.3
643.34882	0.4
681.39758	0.4
695.41779	17.5
696.42004	2.5
713.39136	0.5
723.41077	1.3
727.39954	0.3
739.40662	5.3
740.41058	0.6
743.40295	2.8
744.40887	0.4
761.42810	0.3
767.40295	25.0
768.40527	3.5
797.44855	0.8
803.42358	16.5
804.42993	1.8
813.44482	6.2
814.44525	0.7
843.45593	4.0
844.46429	0.5
855.45911	0.6
873.45520	0.3
903.47607	11.7
904.47772	1.9
947.46686	9.0
947.66156	0.3
948.46948	1.3
953.46179	0.4
965.47772	0.4
985.59705	0.3
1053.53748	1.3
1097.51929	100.0
1098.52197	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	1097.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01285	2.6
85.02838	12.7
87.00768	1.2
89.02335	21.7
93.11198	0.2
94.78122	0.2
95.01282	4.9
97.02834	0.5
98.19748	0.4
99.00782	1.6
99.04416	24.1
101.02341	8.9
104.73332	0.2
109.02837	0.4
111.00798	0.4
112.01612	0.3
113.02354	10.3
114.02712	0.3
119.03406	2.6
125.02347	0.8
131.03424	4.1
139.00294	4.5
143.03485	0.3
146.26541	0.2
149.04486	4.0
157.01367	0.4
159.03004	0.4
161.04518	1.2
177.01839	0.3
179.05629	0.5
195.55487	0.2
209.11879	0.2
250.06339	0.2
257.06815	0.2
261.09860	0.7
319.06757	1.0
347.98499	0.2
371.26080	0.3
435.28979	0.9
437.30511	1.1
453.30112	0.8
455.31760	0.8
479.31564	0.3
503.33713	1.4
503.40393	0.2
504.34845	0.3
505.33609	0.8
533.32739	0.3
551.33905	6.5
552.34357	0.7
569.35052	1.9
570.35327	0.3
605.38556	0.9
625.37469	2.2
627.38910	0.6
633.37897	0.3
635.39453	0.4
651.39185	0.5
665.40564	2.1
666.41150	0.2
695.41766	14.2
696.42029	1.9
697.39801	0.3
713.39240	1.7
714.39252	0.3
723.41138	1.1
731.40271	2.9
739.40826	5.3
740.41229	0.6
743.40350	0.5
767.40259	24.9
768.40637	4.2
773.41302	0.8
797.45343	0.7
803.43140	1.0
813.44464	13.2
814.44745	2.0
831.44891	0.3
843.45551	1.1
855.45636	6.9
855.61938	0.4
856.45984	1.3
873.46741	0.6
903.47681	15.8
904.47968	2.6
947.46735	8.6
947.65942	0.4
948.46918	2.0
965.48065	0.5
1053.53210	1.3
1054.52783	0.3
1097.51953	100.0
1098.52258	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	1113.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03350	0.3
83.01270	3.5
84.02075	0.4
85.02837	15.7
86.03191	0.3
87.00766	3.2
89.02332	37.3
90.02673	0.4
95.01279	8.7
96.01595	0.2
96.95860	0.2
97.02837	0.6
99.00775	1.4
99.04416	15.4
101.02340	30.7
102.02686	0.3
111.00793	0.3
113.02351	20.3
114.02673	0.2
115.00285	0.3
119.03413	14.0
125.02328	1.4
131.03401	2.8
133.01340	0.2
137.02359	0.5
139.00293	7.0
143.03427	4.5
149.04503	1.9
151.03876	0.3
157.01422	0.2
161.02438	0.3
161.04503	5.7
177.01883	0.2
179.05559	12.8
180.05966	0.3
199.14886	0.2
207.39101	0.2
209.11847	0.3
247.44217	0.2
289.07175	0.3
319.06763	0.9
611.39673	4.6
612.39526	0.5
613.40894	0.4
681.43787	31.3
682.44250	4.2
709.43665	1.2
725.42804	10.2
726.43188	1.5
753.42310	45.1
754.42694	6.5
889.49805	10.1
890.49518	1.5
933.48730	16.0
934.49030	2.9
951.52240	0.3
1069.55920	1.8
1070.55750	0.3
1113.55054	100.0
1114.55249	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95789	51.3
84.62707	0.1
96.69772	0.1
96.96858	4.1
98.19765	0.3
127.20036	0.1
137.52319	0.1
150.97960	0.9
152.99519	58.8
153.99861	0.5
171.00587	15.5
172.00920	0.1
177.95978	0.1
227.03264	3.1
245.04335	66.0
246.04678	1.1
253.21750	31.9
254.22083	1.3
438.79544	0.1
478.29358	0.1
481.25793	100.0
482.26108	5.2
641.22211	0.2
795.22754	1.4
796.21942	0.2
887.28345	0.2
895.44971	0.7
1091.47400	0.1
1123.49182	24.9
1124.49316	5.3
1124.74487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.7328
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04401	0.1
78.18353	0.1
81.03342	0.1
83.01281	0.3
85.02843	0.8
87.00764	0.7
89.02332	2.3
95.01292	0.2
96.95883	0.1
97.02850	0.6
98.95828	0.1
99.00758	0.2
101.02341	3.2
101.97753	0.1
111.00783	0.1
111.04453	0.1
113.02346	1.5
119.03407	0.9
121.02813	0.1
125.02362	1.6
131.03352	0.2
133.05008	0.1
135.02864	0.1
139.03949	0.1
141.01839	0.1
143.03407	0.6
149.04446	0.1
161.04503	0.8
167.03433	0.2
169.05070	0.1
179.05571	0.8
199.06015	0.1
205.15959	0.2
217.07253	0.1
221.06662	0.3
235.08228	2.0
235.10425	0.1
247.06346	0.1
253.09300	0.3
255.23322	9.2
256.23703	0.4
259.08517	0.1
263.07767	0.2
287.07855	0.7
305.08807	0.9
323.09796	0.1
391.30267	0.1
393.31723	0.3
397.13568	31.2
398.13950	1.5
405.31802	0.1
407.33325	1.2
408.33340	0.1
415.14636	8.2
416.14902	0.4
423.32776	0.2
425.34161	0.4
432.26114	0.1
439.32224	0.2
469.33441	0.2
470.34164	0.1
471.34854	100.0
472.35211	10.3
653.37665	13.8
654.38074	1.6
1125.73804	0.8
1126.75293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01272	2.8
85.02840	12.7
87.00772	2.8
89.02335	31.4
90.02678	0.4
95.01283	6.4
96.01607	0.3
96.95874	0.4
97.02824	0.6
99.00710	0.9
99.04414	12.2
101.02344	22.8
113.02352	15.6
119.03410	12.5
125.02287	1.3
131.03442	2.0
139.00298	7.2
143.03439	3.9
149.04477	1.8
157.01262	0.4
161.04501	5.0
177.01796	0.3
179.05568	11.2
191.01848	0.3
215.38139	0.3
261.09793	0.5
319.06732	0.8
364.40283	0.3
417.53592	0.3
435.28928	0.6
437.30969	0.4
453.29877	0.3
503.33755	2.1
504.34390	1.8
505.33844	1.4
551.33832	2.9
569.35107	0.9
585.66516	0.3
605.38538	1.8
625.37482	1.8
627.38184	0.5
665.40863	2.6
695.41760	22.6
696.42151	2.8
713.38953	0.8
723.41217	0.9
731.40411	0.6
739.40778	8.9
740.41272	0.9
767.40265	43.1
768.40656	5.7
773.41010	0.4
797.44989	0.5
803.42444	0.5
813.44672	4.8
814.44318	0.5
843.45721	0.5
855.45453	2.9
873.47137	0.5
890.79767	0.4
903.47784	6.7
904.48108	1.2
947.46649	17.3
948.46680	2.8
1083.54663	1.4
1127.53027	100.0
1128.53223	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	113.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19977	1.4
53.82957	1.5
54.53762	1.5
55.01760	4.9
56.32584	1.4
57.03336	22.8
58.02853	10.3
59.01244	3.3
68.01304	3.4
68.99451	32.1
69.03331	10.9
69.69950	10.8
70.02868	1.8
71.01260	6.4
71.02383	23.6
72.00794	17.1
72.99189	6.0
73.01549	1.4
83.01271	4.9
83.02391	2.6
84.02054	12.6
84.77652	1.7
85.02837	79.2
86.02369	11.4
86.03168	3.4
95.01271	3.0
95.02381	1.7
96.00815	16.5
98.19895	3.2
104.94241	1.5
112.99818	3.9
113.02353	33.6
113.03470	12.3
113.05987	100.0
114.00896	4.3
114.01867	11.5
114.02630	3.1
114.05502	2.5
114.06309	3.8
120.62296	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	1135.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95805	0.8
80.96399	0.9
81.03344	2.3
81.28741	0.6
83.01266	9.7
85.00121	0.6
85.02872	1.1
87.00761	0.9
89.02337	2.7
89.03881	0.6
91.49667	0.7
93.01648	0.7
93.03355	2.3
95.01294	1.8
95.04890	1.9
97.02831	3.6
99.04395	2.0
101.02330	2.7
107.20248	0.7
108.02124	0.6
109.02857	4.1
113.02333	1.6
121.02847	4.0
122.03680	0.9
123.04416	1.7
124.01530	1.2
125.02367	37.8
126.02647	1.1
133.02882	0.8
135.04463	3.5
137.02371	27.5
139.03894	1.4
140.31282	0.7
146.03659	14.9
147.04419	1.2
148.18236	0.6
149.02368	1.1
150.03082	0.8
151.03949	2.1
158.03728	0.7
159.04460	6.8
160.05232	2.7
161.02426	1.2
161.05983	0.9
162.03156	1.2
163.00339	0.9
163.03894	0.8
164.01093	9.3
165.01883	21.0
167.03452	10.8
172.05299	3.3
173.05984	2.6
174.03180	8.0
174.06789	2.1
175.03909	2.9
176.04817	1.5
177.01901	4.0
178.15811	0.7
179.03481	5.4
184.05049	0.8
185.06053	1.8
186.06744	1.5
187.03957	2.9
188.04742	5.2
191.03532	1.1
196.05183	0.7
197.06061	1.1
198.06827	0.8
199.03976	1.2
199.07666	0.8
200.04755	2.9
200.08359	1.3
201.05539	2.7
201.07318	0.7
204.04286	3.7
210.06822	1.6
211.04012	2.0
212.04842	4.7
213.05482	0.9
223.07573	1.1
224.04823	0.9
225.05576	2.6
225.12910	1.2
226.06227	2.0
227.07034	1.6
236.04787	0.9
237.05574	1.8
239.07158	1.0
243.13943	1.2
247.17287	0.7
250.06183	1.2
251.07195	2.5
252.07913	1.9
253.08751	0.9
255.13959	2.1
255.23329	13.2
268.07498	1.6
269.11905	2.7
270.09024	2.2
270.12265	1.0
271.13446	20.3
281.11813	1.1
283.13486	1.9
285.14999	2.2
287.13080	1.3
288.06473	1.0
289.14532	4.1
291.06677	0.7
294.09030	4.1
295.13388	1.4
297.14972	2.6
299.13037	7.0
301.14478	1.6
309.14966	1.7
313.14474	10.2
314.14624	0.9
315.15936	1.9
317.14059	2.8
320.06741	1.0
325.14523	8.5
331.15717	1.6
335.13196	0.8
335.16495	3.8
337.14517	7.4
338.14850	0.8
343.15686	4.0
351.16113	1.4
353.17767	2.1
355.15482	1.9
369.17117	1.3
377.17734	5.0
379.15552	1.1
391.19479	1.0
393.17078	2.2
395.18790	4.2
397.16965	0.9
401.17789	1.7
419.18704	12.0
428.80832	0.9
437.19675	4.8
445.16257	1.0
463.17804	3.3
835.34430	1.5
937.50513	1.4
967.52643	15.8
967.70398	1.2
968.52936	3.0
979.52899	7.0
980.53345	1.8
991.53009	9.7
992.53326	2.4
994.72650	1.1
997.53680	9.2
998.54474	1.7
1033.53979	1.1
1049.57654	1.0
1073.57239	12.9
1074.57300	2.7
1091.55530	3.3
1099.55237	4.7
1100.55847	1.2
1117.56079	100.0
1118.56396	20.1
1135.57141	86.6
1136.57471	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	1139.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95793	58.9
96.96858	4.9
125.02438	0.4
126.35031	0.3
137.26665	0.4
150.97948	0.5
152.99524	62.3
153.99835	0.7
171.00592	17.8
181.94920	0.4
227.03206	2.7
229.44405	0.6
233.38878	0.4
245.04343	76.5
246.04675	1.6
253.21764	32.2
254.22009	1.8
255.23244	0.5
446.90918	0.4
466.21472	0.4
481.25818	100.0
482.26154	7.3
498.98706	0.4
662.77368	0.5
811.22876	1.3
882.26685	0.5
911.44604	0.9
1119.90991	0.4
1139.48657	30.9
1140.48999	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	1161.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01269	3.8
103.13787	0.4
107.01287	10.9
109.02858	0.4
124.01619	0.6
125.02358	2.9
133.02888	0.5
135.02930	0.6
135.04437	0.4
137.02402	1.7
137.17628	0.4
145.02881	0.7
147.04492	0.8
147.66910	0.4
149.02434	0.7
151.00299	34.9
152.00816	0.9
153.01920	0.7
157.06532	0.6
163.00357	0.8
165.01956	0.8
167.05002	0.6
169.01396	5.2
169.06543	0.5
171.04552	0.5
173.02448	1.4
173.06303	0.4
175.03894	0.5
176.01051	0.5
177.01820	1.8
178.99817	26.6
183.04501	1.0
185.06047	2.3
189.01888	0.5
191.03456	1.4
192.00748	0.6
193.01385	5.9
195.04524	1.6
197.06093	0.5
198.03177	0.9
199.04027	1.7
201.01936	1.9
201.05621	0.7
203.03392	0.4
205.01402	2.3
207.03003	0.8
211.03986	4.8
212.04759	1.5
213.01999	0.7
213.05565	7.5
214.02675	0.5
214.05888	0.5
215.03552	2.2
219.02974	5.3
220.03296	0.4
223.03925	2.5
223.84718	0.4
224.04303	0.5
225.05611	0.6
226.02748	0.7
227.03482	4.5
229.01454	0.5
229.05019	5.3
233.00873	0.8
238.02878	0.6
239.03491	9.8
240.04333	2.1
241.05077	14.6
241.07501	0.9
241.51924	0.4
242.05418	0.8
243.03192	0.6
250.02776	0.4
251.03555	1.7
255.02966	0.8
261.05511	0.5
263.07129	0.5
264.04620	0.4
265.05060	0.9
266.02301	0.5
267.03027	9.7
268.03607	0.4
269.04434	1.0
273.05652	0.6
275.07147	0.6
277.05157	1.1
279.06747	0.6
281.04608	0.5
285.05893	0.7
289.05130	0.8
291.06659	0.7
293.00958	1.0
293.04477	0.5
293.08304	0.5
295.02695	1.1
301.05142	0.9
303.06668	1.3
305.04700	1.1
306.05432	0.5
307.06155	0.7
317.04681	1.6
318.05316	0.6
319.06143	1.9
320.06772	0.6
329.04568	1.9
330.05258	0.8
331.06229	1.7
333.04224	0.8
335.05582	1.2
345.04190	2.0
346.04834	0.9
347.05618	3.9
349.07230	0.5
351.05161	0.8
357.04074	3.3
358.04837	0.5
361.03732	1.8
364.06027	0.6
365.06744	5.0
373.03717	1.8
374.04416	1.5
375.05133	35.5
376.05591	2.8
377.07196	0.5
379.04745	0.7
385.03491	1.8
391.04541	2.6
392.05405	0.7
393.06229	21.8
394.06622	1.4
401.03082	9.0
402.03720	1.2
403.04614	22.3
404.05252	1.8
419.04144	14.0
420.04739	1.4
421.05716	36.4
422.05914	2.4
429.02515	5.2
431.09906	0.6
437.05356	2.3
447.03629	5.9
448.03766	0.5
448.45438	0.6
461.04703	0.5
465.04703	66.1
466.05011	4.0
493.15424	0.4
507.05856	1.5
519.05933	0.5
523.04999	0.5
547.05212	5.3
565.06305	42.2
566.06824	3.7
583.07361	32.4
584.07605	3.7
593.09271	2.5
611.10516	28.1
612.10919	2.9
667.14160	0.5
669.11163	0.6
729.13171	100.0
730.13525	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.7126
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03353	0.1
83.01278	0.3
85.02834	0.5
87.00773	0.6
89.02334	1.8
91.03900	0.0
95.01282	0.2
97.02853	0.4
99.00788	0.2
101.02346	2.2
111.04424	0.1
113.02354	1.1
115.03919	0.1
119.03407	0.6
121.02895	0.0
124.01627	0.1
125.02367	1.2
131.03461	0.1
133.05002	0.1
139.03966	0.1
141.01820	0.0
143.03436	0.6
149.04440	0.1
161.04486	0.7
167.03467	0.1
169.05014	0.1
179.05559	0.7
185.04523	0.1
199.06129	0.1
205.96796	0.0
217.07152	0.1
221.06651	0.3
235.08246	1.7
245.06767	0.1
251.71661	0.0
253.09343	0.3
261.81625	0.0
263.07797	0.1
264.36060	0.0
275.20267	0.1
277.21777	8.1
278.22141	0.3
287.07803	0.8
305.08865	0.8
323.09863	0.2
357.25797	0.1
361.11450	0.1
375.27368	0.0
377.28650	0.1
379.12613	0.1
379.30215	0.2
391.30191	0.1
393.31802	0.1
397.13577	26.7
398.13931	1.0
401.28986	0.1
407.29730	0.1
409.31137	0.3
410.31757	0.1
415.14651	7.5
416.14978	0.2
417.28174	0.1
421.31226	0.3
423.32651	0.1
425.31110	0.1
439.32404	0.1
441.33798	0.1
446.78351	0.1
467.31577	0.1
469.33374	0.2
485.32898	0.1
486.32800	0.1
487.34369	100.0
488.34698	7.8
674.30634	0.1
675.36090	7.6
676.36639	0.5
896.22113	0.0
1163.71570	0.6
1164.71326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
58.31451	0.1
59.01252	0.7
69.89632	0.1
70.33102	0.4
71.01282	0.7
71.04951	0.2
73.02835	100.0
74.03164	2.8
84.71588	0.2
91.02926	0.2
99.00777	8.6
99.92487	1.6
100.01100	0.4
115.71726	0.1
116.92769	4.9
117.01853	17.4
117.92790	0.4
118.02184	0.7
118.02859	0.3
118.04031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.7062
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01245	0.1
85.02829	0.2
87.00782	0.2
89.02332	0.8
97.02863	0.2
97.06490	0.9
97.07053	0.2
101.02333	1.0
113.02341	0.6
119.03428	0.2
125.02353	0.7
131.03560	0.1
132.77367	0.1
137.09567	0.1
139.03929	0.1
143.03374	0.2
153.09137	0.4
161.04468	0.4
163.07970	0.1
163.11234	0.1
173.70618	0.1
175.11179	0.1
179.05559	0.3
189.12756	0.3
194.94168	0.1
217.15924	0.3
235.08223	0.8
237.15012	0.1
253.09235	0.1
261.15082	0.1
277.21750	4.1
278.22122	0.4
287.07938	0.2
305.08798	0.3
323.09695	0.1
371.27396	0.2
372.24500	0.2
374.26123	0.3
375.27084	0.1
379.12442	0.1
379.30139	0.1
381.28033	0.4
387.30853	0.8
388.31155	0.1
389.28564	2.9
390.28836	0.5
391.25998	0.1
391.30246	0.2
393.31665	0.2
397.13550	11.9
398.13928	0.8
399.13712	0.1
403.25803	0.2
403.30157	0.3
405.27042	0.5
405.32620	0.6
406.28802	6.1
407.29501	1.8
408.30496	0.1
409.27365	0.3
409.31921	0.1
413.33923	0.1
414.34698	0.1
415.09058	0.2
415.14639	3.6
416.14978	0.3
421.31277	4.8
422.31543	2.6
423.33060	8.1
424.28809	1.7
424.33893	0.4
425.30093	1.1
437.30838	0.2
439.27393	0.4
439.33096	2.1
440.32764	1.9
441.33188	1.0
455.31827	0.3
457.33408	1.1
458.33606	0.9
459.34067	0.3
467.31766	1.3
469.33267	100.0
470.33618	10.0
471.34140	0.5
483.31232	0.8
484.31738	0.8
485.32532	1.4
501.32257	13.1
502.32623	16.4
503.33603	24.0
504.34134	1.9
513.32269	3.2
514.32739	0.3
529.31763	0.6
569.95276	0.1
675.35980	2.5
676.36896	0.3
677.36871	0.2
694.71271	0.1
1119.47510	0.1
1179.69873	0.4
1180.72180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	1.6
59.01268	2.7
60.54896	0.5
65.01335	7.9
65.99737	4.2
68.01299	1.3
69.85456	2.8
71.01263	1.7
72.99195	0.5
77.01340	2.2
79.02917	0.7
79.60293	0.5
88.53366	0.4
91.02892	2.2
91.05433	1.1
92.01311	2.8
92.02440	2.7
92.03236	0.7
93.00842	3.6
93.03364	2.0
104.02455	1.3
104.07391	0.5
117.03379	0.5
118.04045	1.2
118.92618	1.4
119.02467	10.0
119.04933	100.0
120.01955	10.1
120.02842	0.6
120.03275	0.9
120.04241	0.9
120.04381	0.7
120.05598	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00230	0.7
55.01755	2.2
57.03321	2.4
58.35099	0.9
65.01322	1.1
65.99738	8.2
67.01746	0.9
67.02914	2.2
68.86531	0.8
69.03341	19.1
69.28780	8.8
71.01244	1.1
79.01772	1.2
81.03336	6.8
81.04464	1.4
82.02890	1.9
83.01281	3.6
83.02390	7.0
95.01275	2.2
96.99199	4.8
97.02839	17.0
98.02397	1.7
98.20594	1.3
107.01295	1.1
110.51311	0.8
123.00813	1.0
124.01620	2.5
124.98739	4.0
125.02361	100.0
125.05998	8.5
126.01852	1.4
126.02766	6.9
128.57053	0.8
134.11205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18429	5.3
55.01762	11.5
57.03337	56.3
59.01242	6.3
65.01303	7.1
67.01775	100.0
68.02118	5.6
68.99702	16.0
70.32261	16.5
71.01270	8.7
71.41206	5.3
73.02832	7.4
83.01268	12.6
85.02838	23.1
85.33798	5.0
88.03939	8.7
99.00777	6.1
101.02385	4.8
103.35981	5.9
104.63229	5.1
111.27905	5.8
117.22424	5.0
128.89142	96.2
129.01865	35.2
129.89215	11.6
130.04044	45.6
142.80865	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	131.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	2.5
57.03324	2.7
58.02857	1.4
59.01257	4.9
64.00520	1.5
64.01801	2.5
65.01334	20.9
65.99734	4.7
66.00844	1.0
66.01659	2.4
67.02898	8.7
69.03342	3.3
69.77219	2.9
69.77633	1.3
70.42796	0.6
71.01270	14.5
72.00790	0.8
72.01597	0.8
72.99199	1.4
73.02831	20.2
74.02374	1.0
74.03174	1.2
75.00781	1.8
77.01357	5.8
77.82764	0.8
81.04465	2.5
85.02840	9.8
85.06478	70.6
86.02355	0.9
86.06825	2.5
87.04415	7.2
88.03938	1.2
89.01345	18.3
90.00860	3.2
90.01694	1.4
91.02914	15.5
101.02345	1.4
104.02484	6.4
104.03116	1.4
105.00839	0.8
105.04486	6.6
113.02339	2.2
113.06041	0.8
118.49422	0.8
122.76284	0.8
130.02780	4.2
131.03548	100.0
131.04381	7.4
131.07048	36.1
132.01950	4.1
132.03026	1.6
132.04031	4.4
132.05592	17.5
132.07356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69897	0.3
54.46870	0.4
55.90062	0.3
57.03296	0.3
59.01269	0.5
69.66098	2.3
71.01267	52.6
72.01602	1.5
72.99198	10.6
80.62224	0.3
87.00755	1.5
89.02330	7.5
112.98521	0.3
115.00280	100.0
116.00632	4.2
132.88557	1.0
133.01349	28.8
133.04904	0.7
134.01714	1.7
142.06129	0.3
149.78952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
71.01269	72.8
71.56120	1.3
72.01610	1.8
72.99200	17.0
75.00766	0.8
87.00779	1.9
89.02334	9.1
115.00285	100.0
115.10101	0.6
116.00615	3.9
117.24066	0.7
133.01353	23.8
133.04973	1.2
134.01714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
62.50430	0.8
63.35706	1.1
66.20618	1.0
67.77418	1.0
68.36810	0.9
69.98889	5.5
71.01268	64.9
72.99194	17.6
73.96896	0.9
87.00782	2.1
89.02335	8.5
99.40831	1.0
115.00278	100.0
116.00613	3.0
133.00394	1.9
133.01346	28.6
133.05002	4.5
134.01610	1.4
134.04657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82928	0.9
59.01267	9.6
65.01331	5.3
65.99729	2.6
67.02879	1.9
71.01263	5.9
71.13656	1.3
71.14011	1.3
72.99197	18.4
73.02833	3.0
75.00761	100.0
76.01077	1.9
76.41334	0.9
84.17615	1.0
85.02846	6.1
87.00758	2.0
89.02325	8.7
92.02441	2.7
93.03345	3.7
94.02893	1.3
95.02413	1.6
96.03180	1.2
106.04017	7.1
107.04909	3.8
108.02033	3.2
108.02726	1.3
109.03960	1.7
117.01814	1.9
118.04023	1.2
126.69453	1.0
134.03648	3.8
135.01970	2.2
135.02905	33.1
135.04427	41.3
136.01559	3.3
136.05002	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	135.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05580	1.4
54.72464	1.4
59.01259	12.1
65.01319	3.2
65.99734	3.2
66.00852	2.9
68.11343	1.4
70.87980	3.9
71.01265	10.4
72.99192	17.2
73.02821	4.3
75.00759	100.0
81.03336	2.3
85.02842	14.8
89.02328	9.6
92.04934	4.9
93.03346	8.2
103.03902	1.6
106.04047	7.5
107.04942	9.9
108.02068	10.2
108.04417	2.2
109.12401	1.4
117.01884	1.7
134.03638	10.6
134.89366	4.3
135.01979	2.5
135.02901	33.5
135.04424	80.0
135.06535	3.7
136.01538	6.2
136.03976	3.1
136.04878	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	135.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	8.4
64.01803	1.5
65.01334	4.3
65.99725	3.3
66.00857	1.4
67.02892	0.9
69.70564	2.1
69.70976	4.1
71.01258	5.8
72.99197	16.0
73.02832	2.2
75.00760	100.0
76.01115	1.5
79.36993	0.9
80.01293	1.1
80.54203	0.8
81.69545	0.8
85.02841	5.6
86.40737	1.0
87.00758	1.1
89.02341	8.6
92.02449	1.2
92.04955	1.7
93.03343	1.1
94.03998	1.0
95.02407	1.3
96.03162	1.0
106.04019	8.7
107.04936	4.4
108.02039	3.8
109.03957	3.2
117.01820	1.8
134.03659	4.7
134.89426	2.6
135.01997	1.8
135.02911	26.4
135.04427	32.4
135.06485	1.2
136.01529	3.4
136.04041	1.5
136.05031	4.6
138.41716	0.9
139.98370	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0292
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
50.95400	0.5
59.01259	9.1
62.80805	0.6
64.73474	0.6
65.01321	3.6
65.99738	2.7
66.00849	0.7
66.86242	0.5
67.02895	1.2
69.51315	4.8
71.01264	5.8
72.99194	15.7
73.02835	1.1
75.00760	100.0
76.01075	1.6
79.02902	0.7
85.02838	2.0
87.00768	1.5
88.07826	0.6
89.02337	11.1
91.02890	1.1
92.02425	1.5
93.02806	0.6
93.03353	2.5
94.02872	0.7
94.03976	0.7
95.02408	0.8
96.03201	1.5
106.04010	4.4
107.02390	0.7
107.04919	1.7
108.02092	3.2
108.02753	0.8
109.04010	1.7
117.01844	2.3
118.04005	0.8
134.03627	1.5
134.89384	1.5
135.02010	1.5
135.02924	31.9
135.04445	20.1
135.06506	0.7
136.00630	0.5
136.01561	3.6
136.03246	1.7
136.05045	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	142.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	20.0
56.54270	1.7
59.01268	9.3
68.99697	4.1
69.74657	6.2
69.75081	6.3
71.01268	51.3
72.99181	2.3
73.02841	1.9
80.99699	6.5
81.93821	1.8
83.01263	4.2
85.02822	4.5
87.00782	11.2
89.02131	1.7
90.59505	1.7
96.99194	17.7
98.19901	2.5
99.04391	3.5
112.98711	28.7
113.02391	2.1
115.00285	7.8
115.58399	1.9
124.98729	54.8
134.72287	2.2
140.98283	11.3
142.99803	100.0
143.03505	3.3
144.00133	5.8
153.01112	2.0
158.99284	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05974	2.7
53.00206	14.2
57.03312	3.0
59.01257	7.2
61.43855	2.7
65.92141	2.6
68.86375	2.6
68.99706	5.0
69.03333	2.5
70.88609	3.5
70.88970	7.7
71.01268	50.7
72.01647	2.8
80.99717	3.8
81.03367	4.2
83.01298	8.1
85.02838	8.5
87.00775	10.4
96.99213	13.7
97.02863	3.1
99.38112	2.7
104.61871	2.6
108.81660	2.9
112.98714	22.7
113.02314	2.6
115.00298	6.4
124.98727	50.5
125.02329	5.6
132.53046	2.7
140.98212	6.5
142.99796	100.0
143.03499	8.4
143.07166	2.9
143.10687	8.9
144.00133	4.4
144.04428	4.9
155.10481	3.0
158.99312	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	145.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	27.7
58.10436	5.9
58.58944	6.0
59.01252	18.1
64.10950	5.8
70.05238	25.8
70.05591	8.8
71.01271	69.1
72.14246	5.9
72.99190	12.1
73.02835	19.0
80.87730	7.0
83.01277	23.7
87.00757	31.6
98.20494	5.8
101.02341	100.0
102.05495	36.6
109.85368	6.2
112.98687	7.8
115.00280	50.1
123.31242	5.9
127.00260	18.8
128.03429	18.0
144.86891	36.7
145.01358	42.0
145.05063	10.4
146.04515	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	145.0136
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
57.03334	27.7
58.10436	5.9
58.58944	6.0
59.01252	18.1
64.10950	5.8
70.05238	25.8
70.05591	8.8
71.01271	69.1
72.14246	5.9
72.99190	12.1
73.02835	19.0
80.87730	7.0
83.01277	23.7
87.00757	31.6
98.20494	5.8
101.02341	100.0
102.05495	36.6
109.85368	6.2
112.98687	7.8
115.00280	50.1
123.31242	5.9
127.00260	18.8
128.03429	18.0
144.86891	36.7
145.01358	42.0
145.05063	10.4
146.04515	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	145.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01807	1.4
65.01324	3.1
65.99727	2.0
66.00846	1.4
68.55671	1.0
70.07740	0.9
71.01283	1.2
71.58312	1.6
73.02846	1.2
77.01332	4.4
81.04452	1.0
83.01292	1.5
83.04911	3.7
90.00846	1.1
91.02919	4.1
97.06485	3.9
99.08054	100.0
100.08382	3.9
101.05984	4.6
102.03410	2.0
103.01659	1.8
105.03239	1.9
105.04469	1.3
109.81693	0.9
117.03411	1.1
118.02904	6.2
118.04015	18.2
119.02449	5.7
127.07549	3.5
143.07092	1.7
145.01540	1.5
145.02855	3.2
145.03984	2.0
145.05093	11.3
145.08635	52.0
146.02403	20.0
146.03529	5.3
146.07191	1.7
146.08957	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	145.0865
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.00232	1.2
50.31913	0.7
59.01256	0.7
64.01827	0.8
65.01332	4.0
65.99731	1.9
66.00861	0.8
67.28931	0.7
71.04906	0.7
71.06765	1.4
71.07116	1.0
71.30372	0.7
77.01334	2.5
82.83033	0.7
83.04380	0.6
83.04907	2.7
87.00816	0.9
89.01363	1.3
90.00871	1.1
91.02912	2.6
92.02449	1.1
97.06501	2.3
99.08055	100.0
100.08391	5.2
101.05983	2.6
103.01654	1.6
105.03260	1.1
105.04487	1.4
106.01666	1.1
107.07339	0.6
118.02937	2.7
118.04021	15.3
119.02430	5.3
119.03234	0.8
119.03539	0.7
127.07579	2.0
130.02821	1.1
136.26347	0.7
143.07103	1.7
145.01485	0.9
145.02782	2.6
145.04008	1.4
145.05110	10.3
145.08640	54.1
146.02409	10.2
146.03542	5.8
146.04588	1.0
146.07227	1.2
146.08977	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	147.0293
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03336	31.7
59.01260	25.3
69.54291	16.4
69.54711	10.2
71.01267	100.0
85.02840	68.7
86.03129	3.4
87.00773	99.1
99.00737	5.2
101.02337	6.2
101.05982	6.7
102.62788	3.6
103.03914	23.2
115.00280	89.3
115.70304	2.8
129.01875	26.7
146.86632	10.4
147.02916	41.2
147.06554	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	147.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00217	4.8
51.63738	3.7
57.03332	7.6
59.01260	38.5
64.01818	5.7
65.01333	69.5
65.99738	25.5
67.00119	4.5
67.02893	11.5
67.58240	3.6
68.01304	7.9
68.99679	3.4
70.02847	5.3
71.01271	63.5
71.57727	7.8
72.99189	13.9
75.00753	20.9
77.01327	5.4
79.02907	15.6
82.03990	7.5
85.02824	8.2
89.02326	8.3
90.00889	9.0
91.02907	11.4
92.02437	9.7
93.00790	3.5
94.02878	5.7
99.00760	21.8
101.02330	5.4
101.40774	3.9
104.02495	4.4
105.03293	5.2
105.04519	26.3
106.02865	4.9
106.04014	55.0
107.02415	6.9
117.01922	6.2
118.04057	10.2
119.02426	7.5
119.04934	14.3
120.01952	26.3
120.02700	5.1
120.05659	18.6
120.06459	4.1
121.03984	26.6
129.01852	3.9
147.01933	14.1
147.03009	38.5
147.04434	92.5
147.05516	5.7
147.06622	23.2
148.01427	6.1
148.03951	6.1
148.05089	100.0
151.65114	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	147.0445
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
50.00217	4.8
51.63738	3.7
57.03332	7.6
59.01260	38.5
64.01818	5.7
65.01333	69.5
65.99738	25.5
67.00119	4.5
67.02893	11.5
67.58240	3.6
68.01304	7.9
68.99679	3.4
70.02847	5.3
71.01271	63.5
71.57727	7.8
72.99189	13.9
75.00753	20.9
77.01327	5.4
79.02907	15.6
82.03990	7.5
85.02824	8.2
89.02326	8.3
90.00889	9.0
91.02907	11.4
92.02437	9.7
93.00790	3.5
94.02878	5.7
99.00760	21.8
101.02330	5.4
101.40774	3.9
104.02495	4.4
105.03293	5.2
105.04519	26.3
106.02865	4.9
106.04014	55.0
107.02415	6.9
117.01922	6.2
118.04057	10.2
119.02426	7.5
119.04934	14.3
120.01952	26.3
120.02700	5.1
120.05659	18.6
120.06459	4.1
121.03984	26.6
129.01852	3.9
147.01933	14.1
147.03009	38.5
147.04434	92.5
147.05516	5.7
147.06622	23.2
148.01427	6.1
148.03951	6.1
148.05089	100.0
151.65114	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	149.0451
Annotation	D-Ribose
Peak:m/z	Relative Intensity
53.28613	2.1
57.03335	5.2
58.00484	5.3
59.01264	100.0
65.01341	8.9
65.76270	2.5
65.99729	9.5
67.02921	2.5
69.03345	8.2
69.98505	11.1
71.01264	14.3
72.99187	6.0
73.02836	8.7
79.01669	2.2
81.04466	3.2
83.01291	5.1
85.02847	23.7
89.02337	9.5
93.03362	8.2
95.02407	3.6
101.02362	4.5
106.04016	6.7
113.72726	2.6
120.01891	3.4
121.02867	33.4
122.02400	5.9
122.03377	5.2
123.01929	6.8
123.04446	2.4
129.01892	5.2
131.03430	32.8
142.08514	2.7
149.02493	21.6
149.04504	68.0
149.05843	6.6
150.00153	6.6
150.03108	21.9
150.06561	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	149.0449
Annotation	beta-D-Ribopyranose
Peak:m/z	Relative Intensity
55.01755	3.1
57.03330	5.1
59.01265	100.0
65.01337	20.8
65.99741	20.1
67.02899	9.9
68.19205	3.1
69.03339	7.4
71.01283	25.2
72.99188	11.3
73.02843	19.4
75.00772	5.2
77.03850	5.2
79.02934	4.9
81.04486	4.2
82.02872	3.9
83.01257	6.8
83.02393	5.4
85.02854	33.7
87.00760	4.1
89.02345	20.7
91.02891	6.3
91.45891	3.7
92.02438	5.2
93.03365	17.0
94.02921	4.1
95.01289	10.0
95.02396	4.8
95.04943	8.5
95.12846	3.5
101.02383	4.6
106.04030	21.4
106.32299	3.3
107.02432	4.4
107.03573	3.7
108.01995	8.5
108.05578	6.4
109.03995	9.3
119.02467	3.3
120.01917	8.1
121.01979	5.0
121.02872	84.7
121.03836	5.1
121.05122	5.7
122.02450	5.2
122.03472	16.7
123.01934	19.4
123.04431	4.5
129.01833	4.6
131.03438	45.8
134.03664	10.5
139.03946	8.1
146.19603	3.0
149.01193	6.1
149.02451	59.5
149.03543	8.5
149.04507	86.2
149.05861	10.8
150.00060	10.5
150.02000	3.2
150.03134	92.0
150.05505	4.9
150.06584	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	150.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.3
65.01311	1.4
65.99729	2.3
67.02893	1.9
69.83305	0.9
69.83715	2.5
71.01273	1.3
81.04472	0.8
89.02348	0.6
95.01257	0.7
106.03986	0.6
107.04906	1.4
108.02053	1.5
108.05609	0.6
109.03960	1.6
110.41614	0.6
120.01944	1.0
121.02850	1.1
122.03668	4.7
122.93924	0.7
123.00778	2.6
123.01894	1.9
123.04463	3.6
124.01533	0.6
136.01579	12.8
137.02377	1.2
139.03946	1.6
149.02394	5.1
149.51299	0.6
150.03157	100.0
151.03723	6.6
154.02678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.0
63.02266	1.7
65.00198	1.5
65.01338	7.2
65.99743	8.5
66.00872	1.5
67.01777	1.8
67.02905	6.2
68.01305	2.5
68.99712	1.7
69.03329	1.5
69.76965	4.8
69.77385	2.9
71.01274	8.8
72.99200	1.7
79.02920	2.5
81.04459	1.7
82.02857	1.9
89.02316	6.3
91.02914	1.2
92.02479	1.4
93.03339	2.2
95.01305	4.4
95.02404	1.7
95.04983	1.5
98.20476	2.1
101.02352	5.5
101.67635	1.4
106.04008	2.3
107.01231	1.3
107.02429	2.1
107.04939	6.3
108.02054	10.6
108.05582	3.5
109.00391	1.8
109.02840	1.6
109.03991	4.9
120.01939	3.2
120.05575	1.2
121.02847	6.2
122.03680	7.2
123.00822	5.8
123.01936	11.1
123.04436	18.1
123.05364	2.0
124.01534	1.5
133.02870	1.4
136.01588	71.1
137.02376	2.4
139.03999	2.1
149.02379	5.5
150.00165	3.4
150.03149	100.0
150.06653	2.5
151.03975	32.8
151.06081	3.3
156.24063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03096	0.2
53.18456	0.2
59.01270	1.5
62.08388	0.2
65.01327	0.6
65.99726	0.9
66.00821	0.2
67.02382	0.2
67.02884	0.3
71.01254	0.4
71.36627	0.4
71.36954	0.2
73.02840	1.0
78.98466	0.3
81.04454	0.3
82.03998	1.6
83.02390	0.2
85.02821	0.3
91.01796	0.6
92.02460	0.5
92.04967	0.4
93.03354	2.9
94.02884	0.3
95.02426	0.4
106.04021	0.4
107.02411	0.4
109.03958	0.4
117.03367	0.3
119.04942	100.0
120.04413	0.5
120.05254	5.2
121.02850	0.4
121.03996	1.0
121.05109	3.6
122.03541	0.4
133.03888	0.2
134.03554	0.4
135.00793	0.5
135.04420	0.4
136.04141	0.3
136.05067	1.5
137.03494	0.9
146.03571	0.4
162.89285	0.7
163.00322	2.5
163.03954	12.1
163.06183	1.4
164.03227	0.3
164.04449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0395
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.14628	0.2
57.54771	0.1
59.01266	0.9
60.21576	0.1
65.99724	0.2
69.98685	0.7
71.01259	0.3
84.01598	0.2
93.03345	2.2
117.03374	0.2
119.04941	100.0
120.04510	0.2
120.05271	5.2
121.02845	0.3
121.03973	0.3
121.05093	0.4
135.00821	0.2
135.04445	0.5
136.05087	0.2
137.03485	0.3
153.56921	0.2
155.72458	0.2
163.00322	1.0
163.03951	16.3
164.04340	1.0
167.73848	0.2
175.08847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0552
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
59.01274	2.1
59.06881	0.5
59.13559	0.5
65.00229	0.7
65.01344	2.1
65.99749	1.6
66.00871	1.1
67.01804	0.5
67.02898	0.9
70.74542	1.8
71.01273	1.3
72.99192	30.1
75.00779	0.6
77.03861	1.0
81.03317	0.6
81.04468	0.8
82.02886	0.8
82.04021	1.8
83.02395	0.6
87.00755	1.0
89.02354	1.2
91.05439	1.2
92.02470	0.8
93.03355	3.5
94.02898	1.1
95.02428	2.1
96.95967	0.6
97.03981	2.1
101.03879	1.6
103.05424	0.7
105.01842	1.0
108.04446	0.5
109.02879	1.8
109.03995	1.6
110.68343	0.7
117.03353	0.8
119.04939	35.0
120.05301	1.8
121.02870	27.0
121.03778	0.8
121.06509	0.9
122.02409	0.8
122.03471	2.0
123.00764	0.8
123.01920	0.9
123.03051	0.7
123.04469	0.7
123.05531	0.8
124.05104	1.5
135.04443	0.5
137.02367	5.3
137.06003	1.0
138.02940	0.6
147.04448	100.0
148.04787	5.5
149.00899	0.9
150.03160	4.6
151.00316	2.4
164.18785	0.5
164.89481	1.1
165.01892	7.0
165.04169	1.8
165.05513	37.9
165.09137	1.7
166.05901	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	168.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02861	100.0
59.01267	0.6
59.03196	1.6
61.98729	0.5
66.66990	0.4
68.99693	0.5
69.03311	0.4
69.41734	0.6
69.42136	2.8
70.02853	0.5
81.03363	0.4
82.95306	0.6
83.01286	0.7
97.02843	0.8
99.00774	0.5
109.02444	0.4
124.04801	0.9
125.02373	3.9
125.06002	0.8
125.09672	1.1
125.99532	0.4
129.65311	0.5
142.13901	0.4
151.00345	1.0
153.01454	1.7
153.99086	0.4
158.28674	0.4
168.03856	2.3
168.10245	0.8
168.13875	9.9
169.01360	3.4
169.05078	0.8
169.08739	1.0
169.12361	0.6
169.14285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1022
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
50.42590	0.4
55.01765	0.5
59.01269	0.8
65.01322	1.4
67.58416	0.5
70.90162	1.2
81.04459	0.5
83.04893	0.4
99.08096	0.5
105.04472	0.8
107.11747	0.4
125.09621	2.7
125.10454	0.4
127.07551	1.0
127.11204	6.3
130.04051	0.6
134.25468	0.5
144.04587	0.6
144.05577	2.3
153.09131	1.5
171.01959	1.4
171.06821	2.0
171.10213	100.0
172.10547	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	173.0087
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00196	2.5
55.01770	6.4
57.03334	4.2
59.01262	12.1
60.82458	0.7
67.01780	7.2
68.70876	0.7
68.99706	4.1
69.03354	1.0
71.01269	100.0
71.04880	1.0
71.05215	1.5
72.01604	1.5
72.99199	9.1
73.02837	8.0
80.99709	1.7
81.03344	1.2
83.01277	12.4
83.04910	1.9
84.99192	1.2
85.02840	9.8
85.06493	2.8
85.70409	0.7
87.00768	7.0
93.03358	18.1
96.99204	4.1
99.00777	30.8
99.04419	1.9
101.02351	1.6
111.00790	29.7
111.04420	7.0
111.08073	1.0
112.01118	1.1
112.98714	67.8
113.99065	2.4
115.00290	6.6
124.98717	22.8
127.00326	0.8
129.01854	4.7
129.05559	1.7
137.02368	1.5
140.98256	1.5
142.99797	70.8
144.00099	3.3
145.01315	0.8
154.99786	4.1
155.03455	3.1
172.83049	5.0
173.00856	11.2
173.04506	4.7
174.07603	0.7
190.88388	0.7
192.88797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0087
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
51.95393	0.7
53.00200	1.4
55.01764	5.9
56.46611	0.7
57.03334	5.0
59.01262	9.5
60.99187	1.4
64.78558	0.8
67.01775	11.5
68.99695	3.0
69.00278	0.8
69.03319	1.4
70.77376	1.8
70.77714	1.2
71.01267	100.0
71.04871	1.8
72.01591	2.3
72.99196	10.4
73.02833	10.4
73.57169	0.7
74.03236	0.7
80.99699	0.9
81.03347	1.2
83.01270	11.2
83.04910	3.5
85.02838	8.1
85.06467	5.6
87.00772	6.7
93.02768	1.3
93.03359	27.7
96.99210	3.0
99.00778	29.2
99.04414	3.1
101.02352	2.4
111.00785	29.0
111.04420	14.1
111.08018	1.8
112.01128	0.9
112.98711	43.6
113.02290	0.7
113.99029	1.0
115.00262	5.0
117.58054	0.8
124.86432	0.8
124.98718	19.2
125.99490	1.0
128.07166	0.8
129.01840	2.8
129.05498	2.7
137.02321	1.5
139.39107	0.8
140.98206	1.0
142.99791	47.4
144.00099	1.1
154.99800	3.2
155.03438	6.4
157.81380	0.7
173.00874	12.5
173.04498	7.9
174.01649	1.1
174.07602	0.8
189.13347	0.8
193.84416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00219	1.5
55.01771	3.8
55.30610	0.6
57.03333	5.8
58.00477	0.7
59.01266	9.0
60.99189	4.0
62.36205	0.6
67.01775	25.5
68.99704	2.9
69.03027	0.8
69.03349	5.8
71.01270	100.0
71.04913	1.6
71.31593	1.5
72.01599	1.9
72.99203	10.1
73.02840	15.7
75.00757	1.2
77.36848	0.8
81.03349	2.3
83.01276	10.3
83.04932	3.3
85.02835	6.7
85.06448	1.4
87.00773	6.1
93.03359	89.9
94.03708	2.4
96.99216	2.7
99.00781	29.0
99.04435	3.0
100.07635	0.8
101.02350	2.9
107.71176	0.6
109.02834	1.2
111.00785	9.8
111.04417	15.2
111.08070	3.6
112.98711	19.4
115.00296	5.1
124.98724	17.0
128.07100	1.3
128.51674	0.7
129.01889	3.2
129.05545	1.4
137.02377	3.1
140.98201	1.0
142.99797	43.0
144.00194	0.8
145.01352	0.9
145.02895	1.3
155.03462	2.9
155.07051	0.9
173.00903	9.3
173.02312	1.6
173.04527	14.8
173.06000	1.0
173.08189	3.5
173.11868	1.2
174.01631	1.0
174.07629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0815
Annotation	CHEBI:87267
Peak:m/z	Relative Intensity
50.00226	0.8
51.19031	0.6
56.89989	0.5
57.03335	2.6
58.02865	0.8
59.01263	69.1
59.37167	0.5
60.01617	0.7
60.99195	2.8
65.01337	5.6
65.03881	0.7
65.99744	3.5
67.01775	26.1
67.02905	0.5
68.02120	0.9
69.03343	6.8
71.01273	8.8
71.55524	0.8
71.55904	0.5
72.99189	2.8
73.02837	5.6
75.00764	0.7
77.01328	1.0
81.03347	2.7
81.04446	0.7
82.66898	0.5
83.01265	0.8
83.04916	3.4
85.02834	3.1
85.06477	15.8
89.01333	1.5
90.00853	0.6
91.02919	2.6
92.01334	1.0
93.03356	100.0
94.03685	3.7
95.01250	0.7
97.72903	0.6
99.00797	5.4
99.04438	1.2
101.02339	1.3
103.01661	0.6
105.04495	1.2
106.04033	1.8
109.02881	1.1
111.00795	2.5
111.04427	14.2
111.08064	7.6
112.04742	0.6
113.02377	0.6
113.05264	1.1
113.05994	12.8
114.06374	0.5
115.00278	1.3
115.02966	0.6
115.03870	0.7
116.02451	1.5
118.04018	1.1
119.02435	6.3
121.03973	0.7
123.00803	0.5
129.01848	1.1
129.05513	0.8
129.09106	1.6
130.02721	0.6
130.04016	2.5
131.03613	2.7
131.07062	69.7
132.05600	1.4
132.07401	3.1
133.02733	0.8
133.04089	0.7
137.02373	2.0
140.01057	0.9
142.99796	0.8
143.03482	1.4
145.02895	1.5
145.05077	1.1
146.02408	1.0
146.03526	8.7
146.04625	0.7
146.07173	1.4
147.01978	0.7
147.03055	1.0
147.05623	0.9
155.03479	1.7
164.78130	0.7
173.02286	1.9
173.04562	19.9
173.06029	1.4
173.08195	4.5
173.11818	1.1
174.01768	0.9
174.03099	0.9
174.05272	0.6
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	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01779	6.7
57.03329	3.9
58.00480	1.8
59.01265	26.5
67.01781	2.2
68.99709	12.8
69.03336	1.2
69.60569	9.4
70.71318	1.2
71.01270	37.0
72.99199	20.7
73.02836	13.2
75.00766	33.5
75.21157	1.2
75.98179	1.3
76.48056	1.1
83.01279	16.5
85.02848	20.4
87.00773	100.0
88.01135	2.1
89.02348	5.2
95.01282	3.8
98.19800	1.9
99.00783	26.2
101.02339	7.7
101.09367	1.3
103.00286	6.5
111.00787	10.7
113.02354	9.1
115.00285	37.7
115.01072	2.5
117.01852	6.9
124.98705	1.9
127.00291	42.3
129.01842	8.0
139.00313	6.1
145.01355	6.4
157.01355	5.6
174.82729	1.7
175.02458	18.3
175.04002	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	178.9504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.9
65.84539	0.4
69.87503	2.7
71.01274	2.6
85.02828	0.8
87.00777	3.1
89.02364	1.1
98.20531	0.8
99.00801	0.6
109.95337	0.5
117.01791	0.5
126.97762	0.4
134.96025	5.5
136.93938	100.0
137.94009	6.7
151.92654	8.8
154.95047	0.7
161.04497	1.8
164.01221	0.7
178.95021	78.6
179.05606	2.4
179.07051	0.9
179.95105	6.6
179.96393	0.6
196.96118	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1387
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03335	0.4
59.01263	1.1
67.01768	0.5
68.99464	0.3
70.85636	0.8
75.37313	0.3
81.03353	0.4
83.04874	0.3
85.02824	0.4
92.56737	0.3
95.01302	0.5
98.00800	0.3
98.02313	0.3
109.06538	0.3
111.00783	0.6
112.03942	0.4
112.98404	0.4
115.02959	0.3
123.00802	0.5
124.01593	0.8
124.03986	0.3
125.44084	0.3
139.03995	0.3
139.07579	0.8
139.11253	0.6
142.04008	0.4
143.04749	0.4
151.00337	0.7
152.98199	0.4
156.05589	0.9
157.05132	1.1
164.98166	0.6
168.00597	1.5
169.01353	0.5
178.60773	0.3
183.00471	0.6
183.03006	1.4
183.06656	1.2
183.10483	3.6
183.13863	100.0
184.06161	0.9
184.14203	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	187.0972
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
51.15593	0.4
54.43918	0.3
59.01263	83.5
60.01605	1.2
65.01342	1.4
65.99736	0.6
69.35918	2.4
69.36332	0.7
71.01286	0.7
72.73911	0.3
75.46156	0.3
91.02927	0.6
97.06502	0.9
98.19725	0.5
99.08055	23.1
100.08389	0.9
103.49336	0.3
107.02411	0.3
115.95125	0.3
118.03983	0.3
119.02470	0.3
123.08028	0.3
125.09648	2.9
127.07567	13.0
128.07918	0.5
130.04022	0.3
133.04005	1.1
143.04936	1.2
145.08638	100.0
146.03448	0.3
146.08969	4.3
160.05112	1.6
187.03960	1.2
187.06203	0.9
187.09749	2.2
192.19011	0.4
207.92415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0194
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
52.91655	0.7
55.01761	0.9
57.03081	0.9
57.03339	8.0
59.01259	5.7
65.76594	0.7
67.01778	3.3
69.81884	2.4
70.59929	0.7
71.01267	8.2
72.99201	13.3
73.02835	18.5
83.01246	3.2
85.02841	57.6
85.34716	0.6
86.03193	1.8
87.00768	24.1
87.01279	1.3
89.02345	0.8
92.79040	0.6
92.95870	1.6
93.03361	4.1
94.56937	0.6
98.20448	1.1
99.00776	5.8
101.02351	3.6
101.62560	0.7
103.03928	1.6
109.02863	0.7
111.00787	100.0
112.01122	3.3
112.98712	11.9
113.98980	0.6
117.01849	15.1
118.02141	0.8
127.03922	2.0
129.01857	11.5
147.02954	0.7
148.94911	4.1
149.89711	0.6
154.99803	11.9
173.00859	19.1
173.02354	1.0
173.04385	0.9
174.01215	0.9
191.01956	17.6
191.05573	55.5
192.05946	2.1
210.96909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0194
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
57.03331	7.2
59.01264	5.7
66.33826	0.7
67.01768	3.0
70.74666	1.4
70.75034	1.4
71.01257	3.5
72.47472	0.7
72.99199	10.1
73.02837	13.9
83.01278	2.6
85.02841	53.0
86.03181	1.2
87.00767	24.7
93.03345	2.2
98.07047	0.7
99.00774	3.0
99.04474	0.8
101.02349	2.4
103.03901	0.9
109.62412	0.7
111.00788	100.0
112.01134	3.7
112.98711	4.8
117.01842	11.7
127.03937	1.2
129.01875	9.2
135.10709	0.6
148.09010	0.7
154.99809	8.7
164.36766	0.7
172.03989	0.6
173.00877	15.4
191.01955	13.6
191.05574	27.4
192.02264	0.7
192.05853	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	191.0194
Annotation	dehydroascorbate monohydrate
Peak:m/z	Relative Intensity
56.76629	0.7
57.03334	4.4
59.01258	6.1
67.01776	2.4
69.10392	0.8
69.81069	4.5
71.01274	3.8
72.01597	0.7
72.99191	11.0
73.02830	12.8
83.01264	2.0
85.02843	37.5
86.03197	0.9
87.00774	18.7
93.03378	2.1
98.19865	1.2
99.00781	2.9
101.02354	2.5
103.03889	0.7
111.00791	100.0
112.01117	2.7
112.98716	3.4
117.01847	12.3
127.03900	0.7
129.01854	11.4
154.99811	15.2
172.99428	1.6
173.00864	24.1
173.52974	0.8
174.01221	1.2
176.00995	1.0
187.79982	0.9
191.01950	24.2
191.05576	32.3
191.10667	0.8
192.05904	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.1
57.03336	11.1
59.01262	12.8
65.01323	0.4
65.99725	0.5
68.01286	0.2
68.99699	0.6
71.01265	2.3
72.99200	2.0
73.02819	1.8
75.00754	0.5
83.01260	1.9
83.02399	0.4
84.02054	3.4
85.02838	100.0
86.03173	2.7
87.00769	3.4
93.03341	1.8
95.02399	0.3
96.98975	0.3
99.00796	1.2
99.04443	0.3
103.00277	1.1
104.02541	0.4
106.04002	0.4
111.00781	8.2
111.04408	0.5
112.01108	0.2
115.05038	0.3
117.01829	0.8
119.01291	0.4
119.04942	0.4
121.02859	1.2
121.03952	0.2
122.03471	0.6
127.03923	0.7
129.01855	1.5
131.03412	1.2
133.06346	0.3
134.03531	0.6
137.03473	0.3
146.03493	0.3
147.00853	0.5
147.02904	3.8
147.04416	1.0
147.08057	0.5
148.01489	0.4
148.03966	0.4
148.05080	0.3
149.04570	0.6
154.99762	0.5
160.03397	0.3
163.00287	0.7
163.03949	0.7
164.04620	0.7
165.01811	0.3
173.00883	1.2
173.04500	0.8
176.01100	3.0
177.01721	0.4
179.86018	0.4
184.12398	0.3
188.69792	0.3
189.49609	0.3
190.99896	0.9
191.01907	12.5
191.03554	2.1
191.05566	23.1
191.06950	0.8
191.10632	0.9
192.02264	0.4
192.05959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0347
Annotation	Pisonin F
Peak:m/z	Relative Intensity
53.71215	0.2
57.03325	0.5
59.01259	4.5
67.01758	0.3
71.01254	0.7
73.02824	0.9
85.02834	5.5
87.00774	4.4
93.03349	1.5
99.00785	0.3
101.02391	0.3
102.93762	0.2
104.02560	0.4
111.00784	7.4
111.04415	0.7
114.41531	0.2
119.04951	1.7
121.02865	100.0
122.03200	3.6
127.03946	1.0
129.01906	0.5
131.03383	0.4
147.00854	0.4
147.04446	6.4
148.04826	0.6
154.99683	0.3
163.03941	0.5
171.02893	0.3
173.00868	0.5
173.04396	0.5
176.01088	1.4
191.01941	1.1
191.03496	9.6
191.05583	21.2
191.10605	0.4
192.03813	0.5
192.05919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19550	0.1
51.59325	0.1
55.01775	0.1
57.03331	0.3
57.23405	0.1
59.01261	1.4
69.03336	0.5
70.49598	0.5
71.01264	1.8
72.99176	0.4
73.02831	1.3
78.36821	0.1
81.03350	0.2
83.01274	0.6
84.04438	0.2
85.02840	1.8
85.99976	0.2
87.00775	1.4
89.02351	0.2
89.03859	4.6
91.37119	0.1
93.03365	0.6
95.01279	0.4
97.02870	0.8
98.03172	0.1
99.00776	1.4
101.02341	2.3
106.04154	1.0
108.02068	0.2
109.02910	0.2
111.00774	0.4
113.02348	0.4
117.03373	9.8
118.03719	0.5
119.04938	0.1
121.02879	0.9
123.00820	0.3
123.04419	0.2
124.01585	0.2
125.02390	0.7
125.03189	0.1
133.02896	1.2
134.03659	100.0
135.03975	4.2
136.05138	0.2
136.38013	0.2
137.02370	3.8
139.03954	1.3
140.01080	0.2
141.01860	0.6
148.05157	0.2
149.02356	0.7
149.06017	8.3
149.09746	0.2
150.03156	0.7
150.06323	0.5
155.03430	0.5
161.04489	2.8
165.01831	0.3
165.05466	0.2
166.06186	0.3
178.02664	12.9
178.12503	0.1
179.03043	0.7
193.01413	1.2
193.05038	18.9
193.07080	2.2
193.08752	0.5
194.05400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0504
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
54.55529	0.3
55.01756	0.7
56.65416	0.3
57.03317	0.6
58.00446	0.4
58.79042	0.3
59.01260	3.4
60.10957	0.3
61.73402	0.3
67.02911	0.4
67.33129	0.3
69.03334	0.9
71.01270	3.9
72.99206	0.4
73.02833	3.5
81.03332	0.4
82.04008	0.7
83.01280	0.9
85.02843	3.9
85.99986	0.5
87.00774	3.1
89.02335	0.4
93.03366	1.0
95.01277	1.0
97.02872	2.1
97.03993	0.4
99.00781	3.1
101.02341	5.0
106.04135	0.6
107.04929	0.3
108.04369	0.3
109.03947	0.4
111.00791	0.9
113.02334	0.9
113.25124	0.3
120.30519	0.3
121.02869	2.4
122.03587	0.3
123.00755	0.6
125.02346	1.2
130.99156	0.3
133.02870	14.4
134.03671	15.1
135.04048	0.7
136.01604	0.4
136.05174	0.3
137.02376	11.3
137.03455	0.6
138.02736	0.7
139.03937	4.7
140.01123	0.4
141.01863	1.1
149.02367	0.9
149.06010	1.0
149.09624	0.4
150.03191	2.0
155.03426	1.0
161.02388	23.1
161.04436	8.3
162.02780	0.8
165.01857	0.4
166.06187	0.7
169.64751	0.3
177.99063	0.4
178.02672	8.1
178.39973	0.3
179.02988	0.4
185.88278	0.3
190.45284	0.4
191.05698	0.3
193.05031	100.0
193.07024	5.5
194.05360	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	195.1386
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.27687	0.2
55.19588	0.2
57.03326	0.3
59.01262	12.2
60.01577	0.3
61.98712	0.7
64.52165	0.3
69.03351	0.4
69.30313	2.7
71.01263	0.8
81.03346	0.3
82.40527	0.2
83.04928	0.4
85.02821	0.4
93.41503	0.3
95.04891	0.3
96.95903	0.7
97.02846	0.3
97.06506	0.4
99.62471	0.3
101.02342	0.4
107.04953	0.3
108.02063	0.4
109.02866	0.2
109.06469	0.2
121.02834	0.7
123.00793	0.6
123.04440	0.8
123.08092	0.3
126.06647	0.3
135.00758	0.3
135.06540	1.3
136.05199	0.6
137.02406	0.4
141.06685	0.3
150.03160	2.5
151.00348	0.3
151.03940	0.7
151.07613	0.6
151.11224	0.4
152.91684	0.9
160.84135	4.3
165.01898	1.4
165.04196	0.3
165.05560	1.4
167.90395	0.3
169.05215	0.3
177.12810	3.4
180.04286	2.1
194.92819	0.4
194.99342	0.4
195.02956	1.0
195.06697	2.3
195.13875	100.0
195.81090	2.4
196.06551	0.3
196.14209	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	195.1387
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.03318	0.2
59.01263	5.2
61.98702	0.5
65.00222	0.2
66.03361	0.2
71.01280	0.4
72.81760	0.2
73.02821	0.2
75.08014	0.2
85.02827	0.3
96.95915	0.5
99.08063	0.3
100.12725	0.2
101.02338	0.3
107.04939	0.2
108.02080	0.2
109.02836	0.2
109.06498	3.6
110.06840	0.2
111.08068	2.8
121.02919	0.2
122.03627	0.5
123.00815	0.3
123.04433	0.6
125.09678	0.5
134.03525	0.2
135.06570	0.8
135.11749	0.2
136.05237	0.3
137.02376	0.3
138.06798	0.4
139.07600	0.3
150.03169	1.3
151.03906	0.5
151.07530	0.4
151.11198	0.7
152.01181	0.2
152.91739	0.4
155.07111	0.2
160.82884	0.3
160.84169	4.3
163.04971	0.2
165.01859	0.7
165.05510	0.8
165.12830	0.2
167.14369	5.7
168.14693	0.5
177.05672	0.3
179.10727	4.2
179.12222	0.3
180.04242	1.5
180.11302	0.3
183.13783	0.3
194.99269	0.3
195.02953	0.6
195.06819	1.1
195.13878	100.0
195.81064	2.0
196.14211	8.2
208.25816	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61555	0.3
53.13355	0.3
57.03318	0.6
59.01256	1.4
60.57093	0.3
61.98714	0.7
65.00211	0.5
65.01344	0.6
68.99701	0.4
69.03336	1.4
70.43311	0.3
70.90266	1.2
71.01274	0.6
72.26124	0.3
73.19671	0.4
81.03340	0.4
82.02023	0.4
83.01260	0.5
83.04916	1.0
91.35226	0.4
95.01317	0.4
97.11121	0.3
112.03986	0.4
121.02872	0.7
123.00806	2.2
123.08042	0.5
125.02398	0.6
125.09631	0.4
126.90384	0.6
138.03160	0.7
141.09171	0.8
151.11252	0.9
153.01857	1.2
153.05504	1.0
153.09149	2.0
153.12801	6.5
154.13211	0.4
159.70506	0.3
161.09546	0.4
162.83839	0.9
166.99805	2.3
169.12297	12.8
170.12671	1.0
171.06688	0.8
171.13904	0.5
179.10742	2.0
182.02151	4.2
190.97398	0.4
197.04532	1.7
197.11809	100.0
197.80663	0.4
198.04239	0.4
198.07875	0.7
198.12128	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.18345	0.2
55.01760	0.4
56.94587	0.3
56.99741	0.2
57.03334	0.4
59.01261	0.8
61.98711	0.3
65.00215	0.3
69.03324	0.5
71.04916	1.2
71.58125	0.4
74.52358	0.2
81.03374	0.3
83.04917	0.4
93.94461	0.2
94.04144	0.2
95.04932	0.3
97.02842	0.3
97.06487	12.6
98.06817	0.7
99.08052	3.8
109.02879	0.6
109.06516	0.6
111.08080	0.5
116.92795	0.3
122.03670	1.8
123.00809	1.4
123.01550	0.2
123.04458	0.4
125.02379	0.7
125.09624	1.0
126.03130	0.6
130.04042	0.2
130.99321	0.3
135.11690	0.3
137.09645	1.6
138.03142	0.5
151.11247	1.4
153.01889	0.5
153.12793	100.0
154.13135	6.2
160.84163	1.4
161.84166	0.3
162.83879	3.2
165.91112	0.3
166.99806	1.2
169.12308	0.6
171.13878	0.7
179.10739	21.7
180.01675	0.2
180.11101	1.7
182.02150	2.9
197.02061	0.6
197.04599	1.4
197.08121	0.5
197.11815	13.8
197.80765	2.1
198.01996	0.3
198.12119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1179
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.67078	0.2
59.01251	0.6
60.18991	0.2
60.83971	0.2
69.03341	1.6
70.03246	0.9
71.01277	0.3
83.04906	0.9
93.82718	0.2
97.06471	0.3
98.19868	0.2
123.00743	0.3
123.08060	0.3
125.09618	0.3
137.09669	0.3
141.09195	0.9
146.80383	0.2
151.11241	0.9
153.09151	1.3
153.12779	4.0
154.13118	0.3
160.84161	0.5
162.83844	0.9
166.99762	0.3
167.10643	0.3
168.10922	0.2
169.12283	15.7
170.12631	1.0
179.10722	1.9
182.02177	0.3
197.11798	100.0
197.80750	0.4
198.12143	7.6
206.15396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27028	0.1
57.03345	0.2
59.01257	0.9
61.14220	0.1
61.98710	0.2
65.00208	0.2
68.99696	0.1
69.03339	1.7
71.01269	0.2
71.48299	0.2
71.48637	0.1
72.80830	0.1
75.65436	0.1
81.03334	0.2
83.04916	1.1
85.06506	0.2
85.65206	0.1
95.01310	0.3
96.95901	0.4
97.02821	0.2
97.06493	0.3
109.02850	0.3
109.06516	0.1
116.92770	0.5
121.02850	0.2
123.00787	1.7
123.08060	0.3
125.02368	0.2
125.09665	0.4
137.09656	0.2
138.03139	0.5
141.09152	0.9
149.09630	0.2
151.11198	0.9
153.01880	0.4
153.05510	0.4
153.09178	1.5
153.12782	5.0
154.13164	0.3
161.09702	0.2
166.99829	1.1
167.10728	0.2
169.12285	14.9
170.12613	1.0
171.13849	0.2
179.10699	1.6
182.02151	2.5
197.04759	1.0
197.11800	100.0
198.12138	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.15841	0.2
59.01247	0.5
69.03343	1.5
69.41630	2.6
83.04927	0.9
88.42467	0.3
90.68024	0.2
95.57073	0.2
97.06470	0.5
98.19836	0.6
107.08429	0.3
123.00793	1.0
123.08079	0.4
126.90385	0.3
141.09143	0.9
151.11252	1.0
153.05598	0.3
153.09163	1.2
153.12794	4.2
154.13177	0.4
162.83868	0.7
166.99814	0.6
168.54163	0.3
169.12302	15.4
170.12645	1.0
171.13948	0.4
179.10699	1.9
182.02180	1.5
197.11819	100.0
198.12169	7.7
216.22060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0972
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03312	0.7
59.01254	1.5
61.98709	1.2
62.03792	0.6
65.01325	1.6
65.99730	1.0
71.01254	1.6
71.56670	0.8
72.99188	0.7
73.02855	1.0
83.01269	1.0
83.04903	0.9
87.00782	0.7
89.01369	0.7
90.00912	0.7
91.02933	0.7
105.04469	0.7
106.04039	0.8
111.00745	0.8
113.02379	0.7
125.09639	1.2
127.00285	1.9
130.04053	1.5
131.03526	0.7
137.09636	7.0
137.40703	0.7
143.04955	0.6
145.04041	0.8
154.99791	1.0
155.10713	100.0
156.11075	6.6
157.05150	1.5
158.03415	0.8
171.10243	2.5
172.05069	2.4
173.04620	1.7
180.97763	1.7
181.08670	1.5
199.03969	3.2
199.06052	1.6
199.07863	0.9
199.09718	19.2
199.13342	4.7
199.17041	1.8
199.68713	0.7
200.05777	0.8
200.10030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0973
Annotation	7-Hydroxyperoxy-1-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.09605	0.4
57.03331	1.0
59.01262	66.2
60.01599	0.7
60.65162	0.3
61.98713	0.8
62.36629	0.3
63.84230	0.3
65.01331	0.9
67.01768	0.4
70.27813	1.6
70.58682	0.3
75.72632	0.3
83.01275	0.7
95.04924	0.4
99.00769	0.6
106.04048	0.4
111.00763	0.5
111.08066	24.9
112.08418	0.9
130.03996	0.7
137.09645	0.5
139.07576	9.8
140.07979	0.7
141.12764	0.6
155.07050	0.5
155.10724	3.5
157.08641	100.0
158.03574	0.3
158.08978	5.5
169.12265	1.5
172.05070	0.8
172.06398	0.5
173.04620	0.5
199.04182	0.5
199.06172	1.3
199.08035	0.5
199.09645	1.9
199.11473	0.5
199.13379	8.5
199.16989	1.3
200.09444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1338
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.83399	0.3
55.01790	0.3
55.34046	0.3
55.59799	0.3
57.03331	0.6
57.68841	0.3
58.00488	0.8
59.01263	0.8
61.98699	1.0
65.01311	0.4
65.99728	0.5
67.01768	0.8
69.31776	2.7
71.01263	0.4
71.04895	0.8
73.02853	0.3
83.01264	0.5
83.04906	0.6
83.60212	0.3
85.02846	0.4
92.99740	0.4
97.06516	0.3
98.20609	0.6
99.00777	1.4
99.08044	0.9
106.04003	0.6
111.00778	0.5
111.08033	0.5
113.02398	0.4
125.09626	1.0
127.11215	3.0
130.04008	0.6
131.17653	0.3
137.06018	0.5
137.09628	0.5
139.03987	0.4
139.11206	0.7
141.12793	2.9
153.12805	0.9
155.07112	0.4
155.09692	0.3
155.10724	1.8
155.14340	0.5
156.89388	0.3
157.05154	0.3
163.11194	0.5
167.10744	0.3
169.12299	5.8
170.12604	0.3
171.13858	0.9
172.05113	0.5
173.04578	0.3
181.12274	1.4
197.11844	1.9
199.13371	100.0
200.09514	0.4
200.13722	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	199.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10379	0.4
58.00476	1.1
59.01265	1.9
60.15499	0.3
61.98713	1.0
62.55789	0.3
64.49348	0.3
65.01331	0.4
68.13765	0.4
71.04873	0.4
71.16693	0.7
73.02826	0.9
75.62333	0.3
83.01288	0.6
83.04873	0.5
93.08631	0.3
99.00787	1.0
111.00808	0.5
111.04498	0.4
111.08036	0.4
113.02372	0.6
137.09677	0.5
141.12743	2.5
144.03397	0.3
147.84836	0.4
151.11232	0.5
155.10713	1.4
155.11871	0.3
156.89404	0.3
157.05148	0.7
163.11215	1.2
169.12285	8.5
170.12502	0.4
171.04443	0.4
171.13892	0.7
172.05125	0.4
173.04712	0.4
181.12300	15.7
182.12642	1.3
197.11826	2.2
199.13367	100.0
200.13721	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	201.113
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
59.01262	100.0
60.01606	1.0
61.39784	0.6
61.98712	1.1
65.01331	2.4
65.99748	1.2
66.00889	0.9
70.62679	2.2
73.50777	0.7
81.04456	0.8
82.03986	0.9
85.02824	1.0
92.02448	0.9
93.03408	0.7
99.92513	2.3
100.47318	0.6
106.04018	1.2
111.00774	1.3
113.09629	21.1
121.05112	1.5
125.09688	1.5
127.11146	1.1
132.05609	3.4
133.04080	1.7
133.05093	1.4
134.03529	1.6
139.11214	2.8
141.09146	13.8
141.93597	3.1
147.05566	1.2
147.06679	0.8
148.05078	1.5
157.03627	0.8
157.08662	1.0
157.12242	1.6
158.03586	1.5
159.01495	1.1
159.03104	1.3
159.06691	1.6
159.10213	73.2
159.89363	2.0
160.05075	1.2
160.10495	4.1
162.05362	0.9
173.02428	0.8
173.06032	2.0
174.03021	0.8
174.06683	2.3
175.06293	2.5
183.10205	0.8
201.02583	5.2
201.04050	2.5
201.05618	4.3
201.07764	3.0
201.09425	0.7
201.11298	14.4
201.14983	2.3
202.05002	0.9
202.07359	1.0
202.11673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03325	1.1
58.00468	1.4
59.01256	6.1
61.98712	0.8
63.21035	0.4
65.01332	1.1
65.99730	1.8
66.00851	0.4
68.01287	0.5
69.03359	0.6
70.16707	2.3
71.01265	0.5
71.04912	0.5
72.99192	5.4
73.02852	0.7
82.04003	0.7
83.04945	0.4
84.00804	0.4
85.02770	0.5
89.52427	0.5
91.02895	1.2
92.02427	0.5
97.02866	0.4
97.06452	0.7
99.08067	0.4
99.92433	0.6
105.04484	0.6
106.04019	1.2
107.02361	0.5
107.08565	0.5
109.03999	0.9
116.02457	0.4
120.05541	0.4
125.06087	0.5
125.09646	6.3
126.09963	0.7
127.11210	10.9
130.04013	0.5
132.05580	1.4
133.03960	0.8
133.05049	0.4
134.03534	0.7
137.09703	2.1
138.53801	0.4
139.11205	2.2
141.93465	0.5
145.02809	0.6
147.01910	0.4
147.05493	0.6
148.05067	0.7
153.09203	0.5
155.10728	5.1
157.12303	1.0
158.03589	0.6
159.02927	0.8
159.06696	0.5
160.05101	0.6
165.09171	3.0
171.10222	3.1
172.05185	0.6
173.02319	0.5
173.06021	1.4
174.02922	0.9
174.06650	1.6
175.06229	1.9
183.10258	7.4
186.85289	0.5
199.09746	2.8
201.02371	0.7
201.04031	1.5
201.05573	1.7
201.11295	100.0
202.07343	0.7
202.11642	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	7.6
55.57191	1.8
56.05317	2.0
57.03325	10.5
58.00476	6.6
58.02856	2.7
59.01265	98.9
60.99176	5.5
65.84637	1.9
67.01751	2.8
67.80534	2.0
68.99707	13.8
70.47124	6.3
71.01269	97.9
72.99193	57.3
73.02826	14.9
75.00764	46.5
80.99723	2.7
83.01262	22.5
84.99203	2.5
85.02843	8.3
87.00771	55.0
89.02357	16.1
94.67780	2.1
96.99196	7.6
99.00163	4.5
99.00780	58.2
99.04418	8.0
100.98713	5.1
101.02344	13.7
103.00274	10.4
111.00787	48.5
112.98718	99.3
115.00284	100.0
115.03938	4.1
116.00594	3.8
117.01836	22.6
118.03182	3.5
124.98724	11.6
125.02379	15.8
127.00317	12.4
129.01866	26.3
130.99785	31.5
133.01390	2.7
142.99788	28.2
143.03400	4.3
144.00523	7.8
145.01357	49.5
146.96965	2.7
154.99811	17.4
157.01331	8.9
173.00836	13.6
175.02393	10.3
176.30075	2.1
187.02408	4.2
197.18529	2.4
205.03455	16.8
205.08887	2.6
206.04317	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.7
57.03324	7.6
58.00455	3.8
59.01265	72.4
60.99197	2.3
64.73491	2.3
67.01773	5.4
68.42152	2.3
68.99689	8.9
69.13731	2.0
70.01344	2.1
70.51507	2.9
70.83868	6.2
71.01266	90.9
72.99197	54.3
73.02835	10.2
75.00759	43.7
83.01275	11.5
85.02840	9.7
87.00768	50.2
89.02338	7.7
96.99221	4.1
99.00781	47.2
100.98676	4.9
101.02348	10.2
103.00253	9.2
111.00809	22.5
112.98714	31.6
115.00283	100.0
116.00606	3.7
117.01868	14.3
124.98743	12.4
125.02332	2.8
127.00291	8.4
129.01875	24.9
130.99792	31.5
133.01366	2.6
142.99811	23.4
144.00627	5.2
145.01352	39.2
154.99837	16.0
157.01337	7.6
159.02882	3.7
173.00891	7.7
175.02409	13.7
205.01521	4.8
205.03470	9.9
205.12447	2.8
205.16023	12.4
206.04309	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	205.0867
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
55.48435	0.4
56.95417	0.4
59.01266	2.2
59.91123	0.4
61.91442	0.4
62.68608	0.4
66.92231	0.5
69.51427	3.8
71.01266	1.1
86.60885	0.4
87.00753	0.5
98.19833	0.9
99.00774	0.5
106.04144	61.1
107.04501	2.9
108.02069	1.2
115.00282	0.8
121.02850	1.1
138.03151	16.3
139.03453	0.7
142.99728	0.5
146.07329	0.5
149.58604	0.5
150.03160	4.8
161.09660	100.0
162.10005	7.0
162.11273	1.0
182.02173	5.5
205.08679	79.6
206.09018	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	205.0868
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
51.81018	0.4
59.01265	6.5
61.98751	0.5
65.01688	0.4
71.01262	2.7
71.84634	0.3
72.99200	1.5
73.02857	0.5
75.00763	1.3
83.01256	0.5
83.04935	0.4
85.02843	1.0
87.00774	1.2
93.03368	0.8
98.19806	0.7
99.00779	1.7
99.07251	0.4
101.02346	0.5
106.04148	59.7
107.04472	2.4
108.02065	1.8
111.00763	0.4
115.00295	3.0
117.01892	0.4
121.02924	1.8
121.03666	0.4
121.05125	1.9
124.98667	0.5
125.89852	0.4
133.02823	0.4
138.03156	18.5
139.03523	0.8
145.01289	0.5
146.07292	0.9
150.03183	3.6
154.99866	0.4
161.02364	0.8
161.09663	100.0
162.10017	7.4
162.89310	0.8
182.02144	6.9
182.05676	0.4
205.08682	73.8
205.15929	4.1
206.09035	5.7
206.16159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01259	1.8
61.98699	0.2
71.01260	0.4
72.99181	0.2
85.02843	0.3
98.95956	0.1
99.00786	0.2
115.00261	0.5
117.03330	0.2
127.00326	0.1
161.02402	0.2
161.06065	0.2
162.89291	0.2
177.46274	0.2
181.93767	0.1
189.12798	1.7
205.15952	100.0
206.16290	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	206.043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.2
58.00467	5.7
58.02864	7.4
59.01265	50.4
60.01597	2.9
60.20211	1.5
65.59383	1.4
68.99693	6.4
70.58391	4.0
71.01271	22.4
72.01601	2.7
72.99195	30.4
73.02843	9.6
75.00764	7.6
79.95623	2.0
80.96407	3.6
83.01273	5.0
85.02834	4.4
85.99995	1.9
87.00772	30.6
88.01095	1.8
89.02346	8.9
90.78070	1.4
96.26955	1.7
99.00778	11.2
99.04478	1.7
100.98679	3.3
101.02355	3.6
103.00269	6.6
108.93658	19.1
111.00751	2.0
112.98710	12.8
113.02354	5.1
113.99042	3.2
115.00311	7.1
116.00562	3.9
117.01849	100.0
117.05486	2.7
118.03214	7.4
125.99044	1.5
126.02679	2.8
129.01874	13.0
130.99780	45.5
131.03400	1.6
133.01332	5.5
135.04573	1.6
142.99829	3.5
144.00595	12.7
145.01370	32.5
146.01770	2.5
147.02953	2.2
148.58458	1.6
157.01334	9.9
164.92670	22.6
165.05475	1.5
189.03990	3.2
192.04216	3.5
206.04283	23.1
206.09128	1.9
206.93649	3.8
206.97435	2.1
206.99490	4.0
207.05064	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	206.0821
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
52.36539	0.9
53.55772	0.9
54.47847	0.8
58.02861	78.1
59.01261	16.5
62.43509	0.9
65.99739	1.2
68.01287	1.1
69.44032	0.9
69.75940	2.7
69.76366	3.7
70.02863	13.7
71.01279	2.9
72.00809	6.1
72.99220	1.2
75.00761	1.5
82.03967	1.0
85.02874	1.4
85.98370	0.9
91.05428	5.5
93.03378	1.1
95.05746	1.0
100.44152	1.0
111.89302	0.8
117.01855	4.1
119.01358	1.7
119.04959	1.5
119.70653	1.0
122.03578	0.9
123.70416	1.1
129.01851	3.0
135.04457	2.4
135.05501	1.0
136.04991	1.1
137.03514	1.5
140.53235	0.9
145.06523	4.1
147.03082	1.9
147.04443	36.0
148.04849	2.2
149.02371	2.1
162.09291	1.4
164.07117	100.0
165.07504	6.1
177.01874	9.7
192.04176	8.9
206.08220	48.8
207.03018	1.8
207.06584	3.7
207.08563	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	206.0821
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
58.00476	3.0
58.02861	40.2
59.01263	22.3
60.16883	0.6
64.89669	0.7
70.02869	15.0
71.01277	5.9
71.11182	1.6
72.00803	6.5
72.99194	3.1
73.02832	2.6
75.63825	0.6
77.89543	0.7
83.01276	2.3
83.02409	0.9
85.02850	0.8
89.02330	5.6
91.05427	10.8
99.00789	2.6
101.99478	2.2
117.01851	72.4
117.05473	1.0
124.11643	0.7
135.04472	1.1
147.04453	39.2
148.04828	1.4
162.09186	1.7
164.07117	100.0
165.07451	6.1
177.01883	3.2
192.04210	3.2
206.08209	43.5
207.05038	5.0
207.08553	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	207.1024
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
57.03332	2.9
59.01262	100.0
61.98709	8.0
67.01752	1.7
71.01250	6.6
71.56714	2.6
75.00755	8.3
80.02576	5.9
81.03345	8.1
81.49574	1.7
83.04915	8.0
85.02837	5.8
91.01759	3.5
91.20181	1.9
93.03355	7.0
95.04920	4.1
97.02856	8.2
99.00742	2.0
107.04916	4.7
109.02871	2.6
109.06497	93.7
110.03691	3.3
110.06848	5.0
119.01295	2.0
121.02883	5.1
121.06493	7.4
123.04428	7.9
129.01839	14.1
135.00777	5.0
135.04401	3.2
135.08063	13.1
136.05209	2.3
142.02631	2.4
147.02901	13.0
149.02385	14.6
161.09654	6.6
163.00290	7.5
163.03978	3.9
163.07553	3.9
163.11234	44.1
165.09065	2.2
177.01883	80.8
178.02220	5.8
179.48923	2.0
189.09116	2.9
192.00548	5.8
192.04239	83.2
193.04520	6.6
206.99342	4.1
207.03020	10.4
207.04880	3.8
207.06708	26.7
207.10236	67.1
207.12218	3.5
207.13840	3.6
208.10545	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	209.0302
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
55.01768	1.6
57.03336	12.3
58.98059	1.0
59.01259	12.8
68.99693	1.5
69.98416	4.9
71.01271	23.2
72.99201	7.7
75.00768	5.2
75.83736	1.1
83.01285	3.0
84.02058	2.4
85.02842	100.0
85.49516	1.0
86.03155	3.2
87.00751	3.0
89.02334	8.3
91.17934	1.0
99.00823	1.2
101.02318	1.4
103.00253	2.9
111.00782	7.0
113.19229	1.2
115.00264	2.6
121.02874	9.4
123.29501	1.2
129.01888	7.9
133.01338	11.0
137.05998	1.5
145.23187	1.2
147.02899	5.7
151.03915	1.3
165.01917	1.6
165.09238	1.4
173.00885	2.6
191.01924	28.8
194.02023	2.1
194.05794	2.3
209.01009	2.4
209.02989	37.7
209.04628	2.2
209.06133	1.8
209.08157	2.5
209.11858	6.8
210.03419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03338	9.4
58.84336	0.7
59.01261	10.8
66.42314	0.7
68.99712	1.1
70.15807	3.1
71.01266	21.2
72.99200	5.6
73.02839	1.2
75.00756	4.7
83.01263	2.9
84.02070	2.7
85.02839	100.0
86.03173	2.6
87.00765	7.1
89.02341	7.7
92.51051	0.6
99.00783	2.5
101.02338	2.0
103.00274	2.3
104.04948	1.0
111.00787	5.5
112.01105	0.7
112.98717	7.3
115.00244	2.2
121.02886	2.0
124.03956	1.0
124.98795	0.9
125.46777	0.6
129.01865	9.8
133.01355	9.9
142.99792	29.5
144.00198	1.1
145.01352	1.0
147.02924	5.3
148.03970	1.8
165.01904	1.3
165.03888	0.7
166.05070	4.9
166.63072	0.6
173.00873	9.0
178.99736	0.7
179.03506	1.0
191.01932	30.4
192.02397	1.3
194.02135	0.8
201.11211	0.7
209.02991	35.7
209.06390	1.4
209.08302	1.0
209.11821	3.9
210.03503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03338	9.4
58.84336	0.7
59.01261	10.8
66.42314	0.7
68.99712	1.1
70.15807	3.1
71.01266	21.2
72.99200	5.6
73.02839	1.2
75.00756	4.7
83.01263	2.9
84.02070	2.7
85.02839	100.0
86.03173	2.6
87.00765	7.1
89.02341	7.7
92.51051	0.6
99.00783	2.5
101.02338	2.0
103.00274	2.3
104.04948	1.0
111.00787	5.5
112.01105	0.7
112.98717	7.3
115.00244	2.2
121.02886	2.0
124.03956	1.0
124.98795	0.9
125.46777	0.6
129.01865	9.8
133.01355	9.9
142.99792	29.5
144.00198	1.1
145.01352	1.0
147.02924	5.3
148.03970	1.8
165.01904	1.3
165.03888	0.7
166.05070	4.9
166.63072	0.6
173.00873	9.0
178.99736	0.7
179.03506	1.0
191.01932	30.4
192.02397	1.3
194.02135	0.8
201.11211	0.7
209.02991	35.7
209.06390	1.4
209.08302	1.0
209.11821	3.9
210.03503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
57.03329	2.9
58.50449	0.7
59.01266	7.2
60.45435	0.8
69.03339	14.0
69.24003	0.8
69.24305	7.9
69.69710	0.7
71.04900	2.3
75.34592	0.6
80.02580	0.9
81.03345	1.5
83.04894	3.4
93.03333	1.2
93.62161	0.7
95.04931	2.8
97.06495	1.0
108.05717	0.6
109.06531	1.1
111.08070	3.2
121.02868	13.9
124.03925	0.6
127.07530	1.6
135.08153	1.0
139.07535	1.0
147.11745	1.5
153.09155	3.6
154.99762	0.6
163.11250	3.6
165.09137	2.5
165.12796	15.5
166.13126	1.1
181.12291	13.4
182.12622	0.9
191.10751	18.3
192.10956	1.1
209.04591	3.1
209.11812	100.0
210.12175	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.67851	0.3
59.01264	1.0
68.07732	0.3
69.03362	0.3
69.71320	0.6
69.71732	1.3
71.01270	0.4
71.75620	0.3
83.01261	0.9
97.06532	0.4
107.71374	0.3
121.02871	10.2
122.03239	0.4
125.09630	1.4
127.70789	0.3
153.43408	0.3
161.02333	0.3
162.42273	0.3
163.11266	0.7
165.12794	0.7
167.10696	1.4
174.32825	0.3
179.03377	0.5
181.12230	0.4
191.10764	0.9
194.05838	0.6
209.04547	1.8
209.11812	100.0
210.12134	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42616	0.2
55.01768	3.2
57.03335	1.8
69.03342	0.8
69.28641	0.2
69.34314	1.6
69.34720	0.6
71.01243	0.2
71.04900	0.5
75.89578	0.3
76.86067	0.3
80.02542	0.6
81.03344	4.3
83.01274	24.5
83.04916	3.2
84.01621	0.6
84.02064	1.4
87.42160	0.2
93.03350	0.4
93.60735	0.3
95.04913	1.3
97.06489	3.9
99.04400	0.4
106.04131	0.4
109.06479	0.6
111.08047	0.6
112.47118	0.2
120.02105	0.4
121.02863	4.4
123.08071	2.3
125.09639	22.8
125.48495	0.2
126.09970	0.9
126.71488	0.2
134.03674	0.3
135.08102	2.4
136.01561	0.2
145.10161	0.3
147.11716	1.0
149.09622	0.4
153.12816	0.3
161.09644	0.3
163.11230	9.4
164.11559	0.7
165.12801	3.1
167.10703	0.7
173.09673	0.3
178.87453	0.2
181.12332	1.7
182.12656	0.3
191.08992	0.4
191.10742	7.8
191.12399	0.5
192.11090	0.5
194.05922	0.3
209.11810	100.0
210.12143	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.2
59.01258	7.8
61.98709	2.7
65.00185	1.0
65.33509	0.8
66.83079	0.8
69.03323	1.6
71.01270	8.5
71.04917	1.1
73.32093	0.9
80.02547	1.4
81.03331	1.7
83.01279	4.7
83.04917	3.7
84.02029	1.1
85.02887	1.5
91.01822	1.0
92.99702	2.3
93.03362	2.1
95.01276	1.5
95.04919	2.3
96.95926	1.0
97.06432	1.8
99.04459	0.8
105.18983	0.9
109.02875	1.0
109.36343	0.8
111.08076	1.8
118.94112	2.9
120.02040	1.1
121.02872	100.0
122.02452	1.0
122.03188	5.6
123.00834	1.1
123.08034	1.3
124.03974	2.2
125.02354	0.9
125.09650	4.8
136.98708	1.7
137.02278	1.0
137.05998	1.3
142.25401	0.9
147.11766	1.3
149.09631	1.1
151.11220	10.8
153.12752	1.1
157.43114	0.8
161.02423	1.3
163.11192	6.3
164.98123	1.3
165.05496	0.8
165.12801	12.4
173.09644	1.2
178.99757	1.3
179.03456	2.1
179.10754	4.3
181.05032	1.1
181.12314	16.8
182.12613	1.2
187.36458	0.8
191.10770	7.3
194.02089	1.6
194.05798	2.5
209.00856	2.1
209.02769	1.5
209.04558	17.0
209.08345	2.9
209.11813	96.2
210.04887	1.3
210.12123	7.5
229.98824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03335	6.4
58.00470	1.8
59.01254	1.5
69.03341	2.4
71.01271	20.6
71.04895	1.8
73.02834	1.8
80.02570	2.0
81.03351	2.8
83.01270	1.3
83.04902	4.9
84.02072	2.1
85.02833	0.9
93.03350	2.1
95.04932	3.0
97.02846	1.0
97.06486	6.4
98.20597	1.9
107.04938	1.0
107.89443	0.7
111.08075	2.8
121.02870	14.1
122.03195	0.9
123.08054	2.3
125.09641	9.2
134.03668	1.6
135.08095	1.7
137.09711	1.5
144.00545	0.9
145.10091	2.2
147.11711	2.5
149.09586	1.0
151.11220	31.1
152.11504	1.8
153.12775	5.9
161.09703	1.7
163.11244	10.6
164.11542	1.3
165.12788	23.8
166.13142	1.5
167.10823	1.4
173.09618	2.4
179.10751	6.6
181.12299	63.2
182.12613	4.4
191.10748	20.5
192.11049	2.0
194.05719	1.0
209.04530	3.0
209.11815	100.0
210.12128	8.4
229.64569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79468	0.2
59.01265	0.2
65.30684	0.2
69.66832	1.0
69.67243	0.4
71.01234	0.3
80.02570	1.9
81.03345	2.0
83.04911	8.9
95.04903	0.9
97.06483	0.3
109.06490	0.6
111.08075	0.3
121.02876	2.2
121.03745	0.3
125.05995	0.8
135.08073	1.1
139.65996	0.2
147.11639	0.3
148.14627	0.2
163.11221	6.5
164.11545	0.4
165.12799	4.3
166.13139	0.3
181.12314	1.2
191.10764	1.5
209.11809	100.0
210.07915	0.3
210.12155	7.9
218.49545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.73503	0.7
53.97674	0.9
57.03333	4.0
59.01262	9.4
69.03339	23.6
69.93664	1.4
69.94058	2.5
71.04906	3.0
80.02551	0.9
83.04915	2.4
93.03349	1.6
93.63552	0.8
95.04900	1.8
97.06440	1.4
97.74660	0.9
106.04076	1.0
107.08626	0.9
108.05740	1.4
109.06513	1.7
110.03580	1.0
111.08068	4.0
112.52319	0.8
121.02853	9.1
121.10127	1.9
127.07547	1.3
135.08083	1.4
139.07578	1.1
143.92796	0.8
147.11722	1.9
149.28305	0.9
153.09145	6.2
163.11192	3.2
165.09187	1.6
165.12799	18.0
166.13148	1.4
171.46552	0.8
181.10794	1.7
181.12303	20.4
182.12642	1.1
190.20125	1.0
191.10736	23.3
192.11075	2.9
205.30011	0.8
209.04510	2.1
209.11806	100.0
209.64108	0.8
210.12135	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	209.1181
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.97121	0.5
53.53916	0.7
57.03331	3.6
59.01262	100.0
60.01592	1.1
69.31450	3.2
69.31874	2.9
69.53263	0.6
71.09956	0.6
76.48440	0.6
80.02575	1.3
81.03357	2.5
83.04926	1.2
85.02851	0.9
97.06483	3.8
109.06496	4.9
121.02866	13.9
122.03254	1.0
124.17965	0.6
141.90147	0.7
161.02391	0.7
163.11169	1.0
165.12781	5.5
183.06523	0.9
191.10658	0.7
194.02078	0.6
209.04506	2.5
209.11801	32.3
210.12141	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	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
50.13590	0.3
51.71777	0.3
61.98711	0.8
62.12835	0.2
63.02287	3.4
65.00207	15.6
65.01343	0.4
68.99733	0.3
69.43652	2.5
83.01270	7.6
89.87131	0.3
107.01293	22.4
108.01640	0.8
108.99203	0.5
123.86614	0.3
151.00304	100.0
152.00655	4.5
157.05089	0.4
158.03487	0.4
164.98203	0.7
167.10789	0.4
169.01343	1.7
178.99821	5.2
183.02899	0.4
183.13896	0.5
211.02470	18.7
211.13394	5.5
212.02803	1.5
212.13857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86939	0.3
60.17715	0.3
64.96384	0.4
69.03356	0.7
69.36886	1.5
69.37313	1.7
91.47176	0.4
98.19810	0.8
108.37658	0.3
112.56174	0.3
165.12743	0.6
167.10738	0.7
167.14352	1.1
183.13873	14.3
184.14261	0.8
193.12320	3.2
211.13377	100.0
212.11885	0.6
212.13727	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	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66882	0.3
69.03331	0.5
70.00269	0.9
70.00681	0.5
73.59471	0.3
83.04929	0.5
148.38339	0.4
155.10750	0.3
165.12753	0.6
167.10693	0.7
167.14352	1.4
179.30225	0.3
183.13863	13.1
184.14185	0.8
193.12305	3.3
211.13371	100.0
212.13718	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03339	0.2
59.01248	0.2
63.06929	0.2
67.01777	2.3
69.03326	0.2
69.24813	0.3
69.25217	1.1
71.01299	0.1
82.59232	0.1
83.04913	0.7
85.06469	0.4
95.01289	0.1
95.04941	0.2
97.06503	0.4
98.48120	0.1
111.08073	0.1
123.08086	0.2
124.03913	0.1
125.09644	4.2
126.09987	0.2
139.11192	0.1
151.11240	0.2
161.85631	0.1
164.11249	0.1
167.14357	3.4
168.03067	0.1
168.14731	0.2
169.08641	0.2
175.11226	0.3
181.05019	0.1
183.13875	1.1
193.12315	0.4
211.13376	100.0
212.13719	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	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21529	0.3
52.35466	0.3
57.03344	0.5
59.01272	0.9
61.98730	0.4
65.01329	0.7
66.21584	0.3
69.03342	0.4
71.01273	0.3
83.04926	0.6
84.66004	0.3
85.81187	0.4
97.06509	1.1
106.04050	0.4
116.67340	0.3
122.53478	0.3
123.93953	0.3
125.09678	0.6
130.04097	0.4
144.05600	0.4
151.11227	14.3
151.12448	0.7
152.11545	0.9
152.55809	0.3
169.12289	100.0
170.12630	7.5
171.06667	0.7
182.47185	0.3
187.06194	0.5
194.99393	0.6
195.10263	1.4
198.72047	0.3
213.01936	0.5
213.05685	0.4
213.11308	18.2
213.14816	3.4
213.18562	0.9
214.01443	0.4
214.11626	1.2
214.15250	0.4
229.21906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
50.67641	0.2
57.03345	0.4
59.01275	0.3
68.89749	0.2
68.92834	0.2
69.03339	0.4
69.38967	1.8
72.43085	0.2
79.95622	0.2
97.06487	1.0
121.63902	0.2
129.11673	0.2
129.32051	0.2
151.11223	13.0
152.11542	0.8
169.12289	100.0
170.12624	7.1
177.09163	0.2
190.97643	0.2
195.10358	1.1
213.11314	25.3
213.14835	0.9
214.11632	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	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90427	0.3
53.71927	0.3
57.03329	0.4
59.01256	0.6
69.27566	3.5
69.40948	0.3
70.88477	0.3
72.44035	0.3
88.02527	0.3
93.91559	0.3
94.54843	0.3
106.03984	0.3
115.69512	0.3
133.45033	0.3
167.14351	1.4
169.12234	0.6
177.12732	0.4
183.13863	5.8
184.14151	0.7
185.06056	0.4
195.13878	15.4
196.14250	1.2
205.42581	0.3
211.13385	1.4
213.14958	100.0
214.15282	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
61.13638	0.3
63.25708	0.3
69.41354	0.8
69.41766	2.5
70.99376	0.3
74.71786	0.3
80.38609	0.4
165.12808	0.4
183.13864	24.6
184.14188	1.6
195.13879	18.9
196.14183	2.1
211.13403	0.6
213.14954	100.0
214.15288	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	215.0714
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
57.03348	0.3
59.01262	0.4
61.98709	1.7
65.01331	0.4
65.03860	0.3
67.01771	4.0
69.03328	0.5
73.02827	0.7
76.34829	0.3
93.03356	3.4
108.02103	0.9
109.02859	8.5
110.03175	0.4
119.04941	0.3
121.02882	0.7
130.04170	0.4
131.04984	0.4
133.02913	0.6
133.04036	0.4
134.03648	2.0
135.04449	8.7
143.04950	1.2
144.00862	2.5
145.02887	0.8
145.06508	1.3
146.03641	1.4
147.04448	3.2
155.04959	0.6
157.06488	0.4
158.03676	1.3
159.04453	3.1
159.08047	0.5
161.02417	0.3
167.04968	0.3
169.06551	1.7
171.04431	1.4
171.08090	0.5
171.10211	1.2
172.05244	15.8
173.06007	7.2
174.03163	0.7
174.06517	0.3
180.05789	0.4
185.06055	6.8
186.06609	1.2
187.04054	1.5
187.07629	6.9
188.04715	2.0
188.07933	0.7
195.04518	0.3
196.05345	0.5
196.96236	0.3
197.06085	2.4
198.06752	0.8
199.04019	0.7
200.04762	2.7
201.05391	0.4
204.04262	1.4
213.05574	1.3
214.06335	1.4
215.01021	19.1
215.07123	100.0
216.01335	1.7
216.03067	0.5
216.07457	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	215.1652
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
54.19485	0.2
55.58126	0.2
56.78368	0.2
59.01259	0.6
66.99972	0.3
69.29558	0.5
69.29961	2.1
74.91177	0.2
97.31818	0.3
98.19757	0.4
100.29478	0.3
109.06551	0.3
116.78661	0.3
121.50941	0.2
123.52941	0.2
144.00809	2.4
169.15907	4.7
171.01845	0.5
197.15425	1.6
213.15001	0.7
215.00980	21.0
215.16507	100.0
215.99429	0.3
216.01334	1.7
216.16853	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	223.1337
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.64412	0.3
57.03340	1.7
59.01261	7.3
60.40733	0.2
61.98711	0.6
64.95792	0.3
65.97781	0.3
69.03336	6.5
69.56579	1.8
70.03661	0.2
71.01279	1.6
71.04911	2.0
72.56223	0.3
73.02828	0.5
76.25876	0.3
81.03349	0.4
82.36238	0.3
83.01285	0.3
83.04922	1.3
85.02828	0.7
85.06465	1.4
93.03352	0.6
95.04903	0.8
97.06492	0.6
98.19798	0.5
101.02327	0.8
108.05747	0.8
109.06503	1.6
109.32428	0.2
113.02349	0.4
123.08051	0.5
125.09637	1.0
127.07572	0.5
135.11699	0.5
141.09128	0.7
141.86711	0.3
149.09660	1.8
151.11287	0.5
153.09174	0.5
161.04468	0.3
161.09644	0.4
161.13304	0.6
164.83519	0.4
165.01765	0.4
167.10738	9.3
175.11090	0.3
176.83636	0.9
176.98331	0.4
177.12804	1.8
179.10771	3.7
179.14383	10.2
180.14705	0.8
191.31990	0.2
193.01376	1.4
193.12390	0.3
194.99310	0.6
195.13878	23.8
196.14268	2.0
205.12325	20.9
206.12697	1.8
208.03763	1.4
223.13391	100.0
224.13730	10.1
228.13698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01266	6.5
68.93811	0.4
69.03339	6.6
71.01261	1.0
71.04896	2.4
83.04915	1.2
85.06480	1.2
95.04944	1.3
97.06496	0.4
98.20636	1.1
108.05688	0.5
109.06490	1.5
111.08022	0.8
123.08064	0.5
125.09625	1.1
135.11693	1.0
141.09195	1.0
149.09634	1.1
151.11203	0.7
161.13283	0.8
167.10713	7.6
168.11156	0.6
177.12816	1.2
179.10745	3.0
179.14374	8.3
180.14754	0.9
193.12320	0.5
195.13873	27.2
196.14224	2.2
205.12311	19.9
206.12630	1.7
223.13385	100.0
224.13737	10.5
230.32072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92618	0.6
57.03331	0.9
59.01251	2.0
65.27611	0.4
69.03336	2.7
69.27421	4.9
69.27844	1.6
71.04923	1.5
83.04942	0.7
85.06481	1.2
93.03317	0.6
98.19774	1.2
109.06441	0.5
146.39351	0.5
167.10713	4.9
179.10728	2.2
179.14365	6.0
180.14680	0.9
187.11148	0.5
195.13879	21.3
196.14272	1.7
205.12308	16.5
206.12656	1.9
223.13390	100.0
224.13737	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
59.01265	12.9
60.36896	0.8
60.99184	1.0
61.98704	0.9
69.03334	1.8
69.39397	3.9
69.39824	3.2
73.02828	0.9
74.88791	0.7
80.02573	1.6
81.03358	5.5
81.89601	0.7
83.04919	3.5
84.02048	2.6
85.02822	1.4
93.03332	1.4
93.24306	0.8
95.04925	2.5
97.02849	10.4
99.00754	1.3
99.04435	0.9
106.04080	0.8
107.04940	1.6
109.02846	1.1
109.06503	49.1
110.03650	5.1
110.06837	3.0
111.04466	0.9
121.06498	3.2
123.04482	1.3
125.09644	1.1
135.08092	5.1
136.05202	3.0
137.09727	0.8
142.02676	6.1
152.08302	1.0
153.12793	5.0
161.09671	2.2
163.11230	32.5
164.11540	2.3
165.09148	1.1
171.13850	1.0
179.08623	1.4
179.10768	1.4
181.12299	21.2
182.12764	1.3
189.09155	1.4
195.02954	1.3
197.11789	4.6
198.07913	0.8
199.06198	0.9
207.10249	100.0
208.10591	8.0
210.05298	1.4
225.11320	92.8
225.14989	2.9
226.11691	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	10.4
65.42744	0.7
69.03303	0.8
69.88462	3.7
80.02534	1.3
81.03345	3.2
83.04892	3.8
84.02042	2.6
91.21381	0.7
93.03375	1.3
95.04938	1.1
97.02843	10.5
97.06503	1.4
98.19893	1.3
99.00788	0.8
100.89247	0.8
104.33327	0.7
106.04101	1.3
108.94564	0.7
109.06499	37.6
110.03653	5.0
110.06839	1.5
121.06496	2.7
125.09627	1.5
126.59344	0.8
135.08093	4.8
136.05173	1.8
142.02657	6.0
153.12762	2.8
157.05064	0.8
158.03571	0.9
161.09651	2.4
163.11235	24.5
164.11525	1.8
176.54784	0.8
178.82738	0.8
179.08577	2.3
179.10641	0.7
181.12302	16.7
182.12662	1.4
189.09152	1.6
195.02948	0.9
197.11841	2.0
199.05972	0.9
207.10248	92.3
208.10605	7.3
225.11319	100.0
226.11649	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01268	2.1
69.41154	1.1
69.41575	1.7
71.04894	0.5
76.02711	0.3
76.63625	0.3
81.03332	0.4
83.01260	0.4
83.04893	0.9
97.02843	10.0
97.06464	0.6
99.00777	3.1
99.43191	0.3
107.79916	0.3
109.06501	4.7
110.02918	0.4
110.03640	4.6
111.94453	0.3
121.06472	0.5
123.04420	0.8
125.09620	0.9
135.08076	1.9
136.05235	2.2
142.02635	3.7
145.10153	0.6
150.17654	0.3
151.07587	0.5
153.12778	0.9
154.72256	0.3
161.09637	0.9
163.11229	10.8
164.11545	1.0
179.10727	1.1
181.12296	28.5
181.94824	0.4
182.12660	2.0
189.09169	0.8
197.11804	1.1
207.10240	64.6
208.10583	5.9
225.11316	100.0
226.11676	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.97160	0.5
59.01266	5.5
60.99204	0.7
61.98684	0.8
63.27707	0.6
65.00200	1.9
69.03337	0.6
69.20083	0.6
69.92749	2.6
73.02831	1.6
80.02533	0.7
81.03342	2.3
83.04916	2.3
84.02048	1.3
85.02853	0.7
93.03359	2.0
95.04917	1.2
97.02864	9.3
97.06477	0.5
98.19894	1.1
99.00772	1.1
106.04128	0.8
109.06493	20.2
110.03642	4.0
110.06831	1.0
121.06467	1.5
123.04483	1.0
125.02360	0.6
135.04463	0.5
135.08061	3.3
136.05251	1.4
136.98686	1.2
137.02359	1.1
142.02631	5.2
153.12793	4.1
161.09698	1.7
163.09833	0.8
163.11237	17.0
164.11552	1.0
171.13895	1.4
178.83304	3.7
179.08684	1.2
179.10704	1.3
181.12294	12.0
182.12674	1.7
189.09180	1.0
195.03001	0.9
197.11873	3.1
197.15529	1.0
206.99403	1.1
207.10246	71.1
208.10576	6.7
210.05435	0.8
214.36835	0.5
225.00450	1.0
225.11328	100.0
225.14969	8.0
226.11667	9.9
236.59958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	MKN-003C
Peak:m/z	Relative Intensity
56.14396	0.4
59.01262	5.3
60.99180	0.9
61.98708	2.9
65.00208	0.7
69.03354	0.7
71.01241	0.7
71.56197	1.0
83.04897	1.4
92.61846	0.6
93.03364	0.7
95.04898	1.1
97.02831	1.3
99.04437	0.6
109.02882	0.6
109.06508	3.0
110.03667	0.9
127.97395	0.6
137.02342	1.4
137.05997	0.6
137.09628	0.8
142.02660	0.6
142.06793	0.5
151.11253	0.7
152.08388	0.6
153.12819	4.6
154.13075	0.5
161.09676	0.9
163.11261	3.1
163.14841	0.6
165.01830	0.6
167.03528	0.7
169.12254	0.7
171.13870	1.5
179.08595	2.9
181.10239	0.7
181.12306	4.2
181.15926	1.3
189.09145	0.8
189.12842	0.6
195.02948	1.4
195.06650	0.7
195.13885	10.0
196.14227	0.9
197.11813	3.2
197.15425	2.9
198.07799	0.8
205.12431	0.6
207.10295	9.3
207.13879	23.7
208.10541	0.7
208.14253	1.6
210.05267	1.1
225.07658	1.6
225.11514	21.7
225.14948	100.0
225.92644	1.0
226.11644	2.0
226.15303	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17520	0.4
69.10075	0.3
69.35782	3.1
71.04914	0.4
80.02564	1.2
81.03340	1.0
83.04906	5.0
84.02046	2.5
84.05213	0.5
95.04935	0.5
113.37263	0.3
125.05961	0.5
135.08087	0.6
136.57245	0.3
137.98793	0.3
163.11221	4.0
165.12836	2.4
168.01036	0.4
181.12263	0.7
191.10797	0.8
209.11804	100.0
210.12164	8.4
227.12891	4.5
228.31592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96163	0.2
55.01777	0.3
66.31876	0.3
71.01264	0.3
71.04902	0.5
80.02567	1.5
81.03326	1.3
83.01275	0.5
83.04919	6.5
83.71970	0.2
84.02061	3.4
95.04904	0.8
97.06532	0.3
98.19678	0.5
109.06551	0.3
125.05997	0.8
127.11205	0.3
135.08057	0.9
147.11745	0.6
163.11232	5.7
164.11505	0.4
165.12808	4.3
180.18393	0.4
181.12305	0.7
191.10791	1.8
199.13385	0.5
209.11816	100.0
210.12152	9.0
227.12903	4.1
228.13200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03241	0.9
58.00353	3.1
58.00665	1.3
59.01132	2.9
59.01455	1.5
65.01570	0.5
70.55909	1.0
70.56276	2.0
71.01190	0.8
71.04787	0.8
73.02721	0.7
80.02433	1.8
80.02866	0.9
81.03227	1.6
81.03634	0.7
83.01177	0.7
83.04782	5.9
83.05318	0.8
83.40077	0.6
84.01922	3.4
95.04858	0.9
111.07961	0.8
116.35811	0.6
135.07945	1.0
137.09546	0.6
141.12657	2.6
141.14394	0.7
153.12718	1.5
155.14293	1.2
163.11263	5.4
165.12817	5.4
167.10547	1.1
169.12318	6.4
171.13783	2.5
181.12390	3.5
183.13927	1.1
185.11766	0.8
191.10710	1.5
197.11900	0.8
199.13387	48.1
200.13739	4.4
207.10233	1.1
209.11844	100.0
210.12170	8.3
218.04732	0.6
227.12949	61.6
227.20157	3.6
228.13370	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.38491	0.3
52.97464	0.3
59.01255	0.6
71.15028	0.3
71.58161	0.4
80.02576	0.5
83.04906	0.7
111.08055	0.9
151.29379	0.3
163.11249	0.7
165.12796	20.3
166.13068	1.8
169.12277	0.7
181.12288	0.4
183.13860	100.0
184.14197	7.2
199.13365	1.7
209.11818	11.9
210.12129	1.1
219.65572	0.3
227.12877	25.5
227.20100	0.6
228.13196	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	227.1287
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.54364	0.3
57.03342	0.8
58.00473	5.6
59.01266	0.5
67.73825	0.3
69.03356	0.5
71.01266	0.6
71.04918	0.4
71.28049	0.8
73.02830	1.0
79.78586	0.3
80.02582	0.7
81.03353	0.6
83.04915	2.8
84.02058	2.1
93.61575	0.3
95.04903	0.5
97.06462	0.5
106.81014	0.3
111.08038	0.4
120.30495	0.4
125.09663	0.5
135.08130	0.4
137.09618	0.4
144.95473	0.3
151.11279	2.3
153.09111	0.5
153.12793	1.5
155.14366	1.5
163.10054	0.4
163.11212	1.9
165.12799	3.9
167.10732	0.5
169.12268	1.3
171.13858	2.2
181.12282	4.1
183.04591	0.4
183.08403	0.4
183.13939	2.9
191.10712	1.7
199.13368	48.0
200.13724	3.5
209.11813	36.7
210.12129	2.7
227.12880	100.0
227.20076	2.3
228.13216	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
58.75267	0.3
59.01248	0.5
61.98684	1.0
65.01316	0.7
65.99724	0.3
68.01278	0.3
70.86181	0.8
71.01247	0.6
71.04878	0.6
73.02851	2.0
73.03180	0.4
80.02554	1.8
81.03362	1.6
82.18223	0.4
83.01264	0.6
83.04916	6.4
83.05413	0.3
84.02052	3.1
86.40186	0.3
91.02869	0.4
93.03340	0.3
95.04899	1.0
97.06451	0.5
106.04001	0.4
109.06441	0.4
111.08044	0.4
119.22260	0.3
125.05967	0.9
125.09605	0.4
125.62626	0.3
135.08051	1.1
147.11748	0.5
151.11215	0.7
153.12804	0.8
163.11240	5.7
164.11542	0.4
165.12799	4.4
166.13232	0.4
173.04674	0.4
174.06743	0.5
181.12286	1.1
183.13913	0.7
191.10709	1.2
199.03970	0.8
199.13364	0.5
201.07777	0.6
209.11815	100.0
210.12148	9.7
212.04823	0.5
222.61729	0.3
227.03529	2.5
227.07088	0.9
227.09319	0.6
227.10777	0.7
227.12892	12.3
227.16568	1.1
227.20132	3.1
228.08655	0.4
228.13191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1083
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
53.72750	0.4
57.03331	3.1
59.01254	1.2
59.48208	0.4
61.98706	1.8
65.01318	0.7
65.26959	0.5
66.85402	0.4
69.03319	0.8
71.96901	0.5
81.01351	0.4
86.69413	0.5
86.96998	0.4
88.28457	0.5
109.03928	0.6
121.33907	0.6
123.08064	0.7
125.09666	2.8
139.11211	1.4
141.12762	3.8
155.10710	1.5
160.05107	0.8
167.10750	3.7
185.11790	100.0
186.12137	6.8
201.05402	0.6
201.11237	1.5
201.13829	0.7
229.05103	0.9
229.08772	0.8
229.10764	15.7
229.12737	1.0
229.14191	1.9
230.11072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73617	0.4
57.03336	0.9
59.01253	1.9
61.98708	1.6
65.01318	0.7
65.99723	0.6
71.04910	0.7
83.04919	0.6
85.02853	0.9
97.06514	0.6
99.00832	0.7
119.13020	0.5
121.03973	0.5
125.09630	4.7
127.11204	5.5
134.03596	0.6
154.21796	0.4
155.14301	2.1
163.93254	0.5
165.12834	0.6
166.06046	0.5
167.14348	1.8
171.10263	1.1
183.13785	0.7
185.06134	0.7
185.11774	0.9
185.13321	1.1
187.06194	0.6
209.11836	2.3
211.13406	4.3
212.13773	0.6
229.01523	0.8
229.05060	1.0
229.08633	1.6
229.14450	100.0
230.12651	0.8
230.14798	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03342	2.0
71.13319	0.8
83.04926	0.6
84.02085	0.5
85.02826	0.8
125.09634	2.6
125.10422	0.4
127.11233	2.6
155.14340	1.6
165.12840	0.7
167.14304	1.4
171.10191	3.9
183.13885	1.2
185.11787	2.8
209.10043	0.4
209.11790	2.4
211.13420	12.5
212.13731	1.2
229.14445	100.0
230.14772	7.9
231.35208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.20739	0.3
57.03324	0.9
59.01258	0.4
61.98724	1.7
65.01332	0.8
65.99735	0.4
68.01302	0.3
71.13847	0.4
71.14175	0.6
75.00746	0.3
77.99425	0.2
83.04934	0.6
84.02067	0.3
85.02849	0.6
92.59743	0.3
97.06520	0.3
101.09753	0.3
106.04029	0.5
107.74538	0.3
114.38892	0.3
118.04026	0.3
120.05576	0.3
121.04003	0.4
125.03421	0.3
125.09624	1.9
127.11198	3.8
135.02904	0.7
135.04480	0.3
143.10716	0.3
146.03581	0.3
155.14330	0.8
160.05092	0.6
161.02374	1.1
165.12784	1.1
167.14383	2.0
171.10226	3.5
172.04967	0.4
183.13901	1.6
185.13217	0.4
193.12259	0.6
202.06105	0.5
209.11789	3.0
211.13383	9.1
212.13660	0.8
229.14450	100.0
230.14818	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23539	1.6
55.01757	2.2
56.55254	1.7
57.03339	10.2
59.01264	100.0
60.01592	2.7
60.99199	1.7
67.01775	4.8
68.40951	1.5
68.99702	3.5
69.87313	4.3
69.87708	3.1
71.01266	33.1
73.02833	6.0
83.01292	7.2
85.02840	10.1
93.03368	9.4
99.00782	12.8
111.00768	15.3
129.01869	24.8
145.01341	2.4
167.52995	1.6
173.00865	5.0
173.04503	18.2
200.29495	1.5
233.15475	24.2
234.15775	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	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
55.15731	0.7
57.03336	7.1
59.01261	100.0
60.01600	0.8
60.99184	1.7
67.01771	4.8
68.99700	1.9
70.33131	2.4
70.33546	1.3
71.01267	36.3
72.99194	1.5
73.02837	3.5
83.01260	6.1
85.02848	5.9
87.00774	1.2
93.03355	14.1
96.65824	0.8
99.00760	8.3
111.00793	13.4
111.04418	1.7
112.01100	0.8
126.17030	0.9
129.01862	14.6
159.44905	1.0
173.00873	2.1
173.04494	13.0
177.67622	0.8
198.38048	0.8
233.15469	37.6
234.15791	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50616	0.2
53.96513	0.2
59.01262	16.5
59.96609	0.3
60.01579	0.3
60.97400	0.3
60.99219	0.2
64.61140	0.2
67.01778	0.6
67.72723	0.2
71.01268	0.4
71.29596	0.4
74.98958	5.8
75.00730	0.2
75.98927	0.2
91.02082	0.9
93.00023	3.1
93.03360	3.1
99.00791	0.2
111.04432	0.4
118.96180	0.4
133.98502	0.3
134.99323	6.4
135.99263	0.3
136.97267	1.8
141.07343	0.4
143.05179	0.2
149.00894	63.0
150.00854	4.1
150.98802	0.6
151.14743	0.2
152.96759	0.2
155.03534	0.2
159.08412	1.8
161.05002	0.2
161.06345	3.9
167.17439	0.2
173.04503	3.6
174.04893	0.2
176.40904	0.2
215.05714	1.0
215.09509	0.2
217.07205	83.5
218.07343	8.8
233.10352	100.0
234.10529	11.2
234.15723	0.4
235.08292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82331	0.1
59.01262	0.7
61.98709	0.3
64.07068	0.1
69.53624	1.2
71.01281	0.3
74.67235	0.2
93.92690	0.2
99.04488	0.2
101.02336	0.2
111.04462	0.2
116.30314	0.2
121.02856	0.2
129.01854	0.2
134.03651	0.4
135.04411	0.3
136.05193	0.4
136.75874	0.2
148.05228	6.0
148.28874	0.2
149.05859	0.5
149.09692	0.9
162.06833	0.3
163.07599	0.2
175.07506	0.3
176.08386	0.7
177.09167	35.1
178.09518	2.3
190.09947	1.6
191.10689	0.9
192.11526	26.7
193.11934	2.4
201.09181	0.6
203.07108	0.4
217.08688	2.8
218.09474	7.5
219.09915	0.8
236.10548	100.0
237.10945	9.2
237.14851	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48368	0.5
57.02309	0.4
57.03337	15.3
59.01266	5.3
59.79787	0.4
67.21930	0.4
69.03312	0.6
69.27517	2.7
69.27942	2.2
69.35430	0.5
71.01286	1.2
83.04911	2.7
85.02824	0.5
101.02350	0.7
109.06498	1.2
120.14643	0.5
135.11743	0.7
147.95554	0.4
149.09669	0.9
165.12820	0.5
167.10768	2.8
168.09619	0.5
177.12811	0.8
179.10678	2.7
193.15985	2.6
195.13882	3.8
219.13879	1.0
237.14983	100.0
237.52969	0.5
238.15315	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	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	13.4
59.96606	0.7
70.93877	0.2
71.01271	0.4
71.29775	0.4
74.98957	8.8
75.96096	0.4
85.02838	0.4
87.00773	2.0
91.02103	10.4
93.00031	4.6
99.00777	0.6
101.02345	0.3
117.01835	0.3
125.02403	0.3
137.09698	0.3
149.00891	4.2
150.98753	0.3
161.04486	1.9
179.05563	9.8
180.05905	0.3
195.13737	0.3
202.47198	0.2
205.29739	0.2
206.99706	2.9
207.99823	0.3
221.11638	0.3
223.02827	100.0
224.02881	10.2
239.05859	1.2
239.12900	1.1
239.16432	0.3
241.03918	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	240.9815
Annotation	7-Hydroxycoumarin sulfate ester
Peak:m/z	Relative Intensity
59.01260	0.5
61.98704	0.3
69.27927	0.2
69.50462	0.5
69.50867	1.3
72.99197	0.2
73.07998	0.2
107.85061	0.2
117.03388	0.6
123.04433	0.3
133.02873	2.1
146.89571	0.2
147.18614	0.2
161.02386	100.0
162.02718	6.1
167.19022	0.2
168.99860	0.2
173.13406	0.2
240.98148	12.1
241.05009	0.3
241.10872	0.3
241.14517	0.3
241.18126	0.7
241.21770	1.0
241.98460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.86544	0.5
52.42725	0.5
54.36476	0.6
55.18236	0.6
57.03325	1.2
58.69270	0.6
59.01256	1.6
60.41698	0.5
61.49651	0.5
67.15306	0.5
69.03349	3.3
69.51347	4.0
69.51768	1.1
71.01281	1.7
71.04903	4.9
83.04922	2.2
95.04938	1.0
121.01415	0.5
123.08065	1.5
125.09642	3.0
135.56393	0.6
151.11244	1.8
152.67986	0.6
153.12766	3.7
161.09673	3.3
165.09247	0.6
177.90512	0.6
179.01262	0.6
179.10736	10.3
197.11806	100.0
198.12152	6.9
205.08794	0.8
213.11282	1.0
223.09790	6.1
234.84744	0.7
241.10837	86.4
241.21854	1.0
242.11208	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	241.1084
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
52.96676	0.4
57.03334	1.0
59.01262	42.2
61.98700	2.3
65.01336	0.5
69.03336	2.6
69.62169	0.5
71.01295	0.7
71.57480	0.8
72.27452	0.6
72.99196	4.4
73.02818	0.8
78.91774	0.5
83.04885	0.6
85.48647	0.6
87.00764	0.5
95.04914	0.9
107.08566	15.1
111.04421	1.0
119.08582	1.1
123.08075	1.9
133.06528	1.0
135.98280	1.5
151.07549	1.8
153.09122	1.2
163.07568	1.3
169.08629	1.4
174.87862	0.5
181.08659	14.5
182.09027	0.7
185.47316	0.6
195.30977	0.5
197.11861	0.6
199.09726	100.0
200.10054	6.0
214.07272	0.7
223.09839	0.6
241.10820	4.4
241.14377	1.2
241.18103	2.2
241.21742	2.4
242.10872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0664
Annotation	Obliquin
Peak:m/z	Relative Intensity
59.01250	0.3
62.49796	0.3
67.01781	1.0
69.03340	4.7
70.03669	0.4
71.01266	0.5
71.33235	0.5
76.91375	0.2
83.42059	0.3
93.03355	1.7
93.61623	0.3
95.01293	1.4
97.02847	1.8
98.25165	0.3
108.02074	0.6
109.02865	0.5
113.94715	0.3
117.03371	21.7
118.03699	1.0
119.04938	12.3
120.05286	0.8
121.02853	1.1
123.04428	0.3
131.04958	0.4
133.02863	0.6
134.03667	0.6
135.04456	3.0
137.02303	0.3
143.05066	0.3
145.02882	100.0
146.03209	6.0
147.04420	1.4
156.05716	1.0
163.03961	0.5
167.04906	0.4
169.06519	0.9
171.04427	0.3
171.08159	0.3
174.03157	1.0
181.06529	0.7
197.06053	3.8
199.03966	1.0
199.07613	8.9
200.07990	0.7
201.11362	0.4
215.07095	1.5
225.11298	1.0
243.02998	0.7
243.06630	9.8
243.12350	0.3
244.06850	1.2
249.91972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0667
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
59.01256	2.3
61.98719	1.6
65.00202	1.5
67.01787	1.0
71.57985	1.0
71.99503	0.6
78.56981	0.6
79.61356	0.6
80.02563	1.7
80.67423	0.7
81.03320	0.8
91.01793	31.5
95.01279	1.7
107.04938	2.9
108.02077	45.7
109.02917	8.2
109.35249	0.7
110.02415	1.5
111.00808	1.2
121.02875	1.1
123.00804	12.3
123.53986	0.7
124.01630	0.8
135.00804	24.8
136.01166	1.2
137.02396	5.1
147.46652	0.6
152.01093	31.0
153.01430	1.2
167.09737	0.8
171.10223	0.8
197.06081	1.9
199.07549	1.1
199.09738	0.9
213.05576	2.0
215.07127	1.8
225.11354	2.3
243.06653	100.0
243.12201	2.0
243.15891	1.6
243.19698	2.5
244.06989	10.8
252.03503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03344	2.2
59.01279	1.9
61.98734	1.8
65.01319	0.6
69.03353	0.7
69.45676	0.5
82.04041	0.8
99.00753	0.8
103.57130	0.5
116.37711	0.6
125.09702	0.6
135.26091	0.7
139.11203	2.5
141.12778	1.0
153.12799	0.7
155.14366	2.3
158.15706	0.6
169.12256	1.8
181.12318	2.3
185.11819	0.6
199.13367	100.0
200.13708	6.4
207.10248	1.3
215.12865	1.6
225.11328	1.8
229.15498	0.6
243.02951	0.9
243.06856	1.2
243.10176	1.2
243.12379	19.4
243.15909	2.6
244.12759	2.5
251.25531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22546	0.8
57.03334	1.5
59.01263	50.3
61.98690	1.3
69.03318	0.8
69.30892	9.3
71.01262	3.8
71.04878	1.1
72.99194	7.6
73.02814	1.9
83.04913	1.3
85.06487	2.1
97.33932	0.8
107.08569	3.6
108.57748	0.8
109.06509	1.6
109.10129	1.0
111.04495	1.0
111.12292	0.8
117.03433	1.1
119.04923	1.8
121.10174	1.5
122.00080	0.9
125.09613	2.7
127.11214	0.7
135.40781	0.9
139.11217	3.5
145.02829	4.7
155.10728	3.7
156.48193	0.8
163.11188	2.1
168.58324	0.8
171.10194	6.2
181.12280	1.0
183.10223	60.8
184.10568	3.6
188.22116	0.9
189.09192	1.0
192.57831	1.0
197.11880	1.5
199.04056	1.3
199.07654	1.1
199.09663	1.2
199.13229	1.0
201.11299	100.0
202.11630	6.6
207.10196	3.7
225.11317	11.1
243.03024	4.2
243.06744	2.0
243.10474	1.0
243.12413	8.9
243.16171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01756	0.7
57.00886	0.6
57.03330	0.7
59.01257	1.5
69.32971	5.9
71.01250	0.7
71.04913	4.1
73.02833	1.5
81.03359	0.5
83.04919	1.1
95.55509	0.6
97.02847	6.0
97.06471	2.2
99.00776	23.4
100.01093	0.7
104.01704	0.6
109.06491	1.2
110.03632	3.0
123.08121	1.0
125.09647	7.4
127.11134	1.1
135.08113	0.7
136.05237	1.3
142.02641	2.5
152.74950	0.6
153.12863	0.8
155.14284	1.4
161.09618	1.0
163.11229	8.2
171.10191	1.2
179.10631	0.9
181.12303	25.7
182.12611	2.2
197.11800	1.2
199.13373	19.8
199.84348	0.6
200.13727	2.2
207.10255	48.6
208.10567	3.7
213.74467	0.6
225.11324	83.1
226.11647	7.3
243.12404	100.0
244.12749	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	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21135	0.6
54.12862	0.7
57.03336	1.2
59.01266	8.9
71.01276	1.8
71.04900	1.7
71.38907	1.6
71.87109	0.6
78.22785	0.6
83.04886	0.7
97.02845	2.8
99.00773	8.0
109.06495	1.0
110.03674	0.8
125.09659	4.4
127.11188	3.4
135.08162	0.6
139.11191	4.8
153.12764	0.8
155.14357	1.1
163.11295	4.6
171.04524	0.7
171.10233	1.6
181.12296	17.8
182.12674	1.2
183.10188	6.4
184.10680	0.8
197.11833	1.7
199.03915	0.6
199.13377	36.9
200.13733	2.2
201.11261	1.4
207.10246	26.0
208.10590	1.3
215.03415	0.7
215.12869	1.3
225.11319	53.5
226.11629	3.4
243.03000	3.7
243.12404	100.0
244.08084	0.7
244.12764	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	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
51.04901	0.5
56.05199	0.5
59.01251	1.6
61.98713	1.1
63.12315	0.6
71.04890	1.1
88.43807	0.6
97.02851	1.9
97.06483	0.6
99.00774	7.0
101.02225	0.6
109.06467	0.6
111.00752	0.7
125.09624	2.2
153.12752	1.4
155.14302	1.0
163.11212	2.6
169.12251	1.3
181.12305	14.0
182.12639	0.9
187.04172	0.6
197.11815	2.3
199.13370	40.1
200.13728	2.1
207.10229	13.5
208.10600	1.0
225.11305	26.0
226.11636	2.4
228.06558	0.9
229.07372	3.2
229.17337	0.6
243.12393	100.0
244.09810	12.0
244.12733	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0933
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
52.92792	1.6
58.02858	22.0
59.01261	5.5
61.98702	5.1
65.01314	1.9
66.36211	1.7
70.02863	17.7
71.55977	2.9
72.00781	4.3
72.04426	3.0
74.02359	100.0
74.96126	1.5
75.02694	2.3
98.02376	20.7
116.03444	26.6
116.04964	31.6
130.06535	6.1
131.98586	1.7
135.04428	4.3
136.40759	1.7
137.09642	2.0
142.06526	6.3
145.02989	2.0
146.03392	2.4
147.03433	1.6
159.09238	6.3
179.03493	2.7
186.05577	3.3
198.47388	1.8
201.10117	3.8
203.08231	67.9
204.08495	5.0
209.11819	3.7
217.01314	2.0
225.75917	1.8
231.81384	1.9
245.00966	4.1
245.04626	6.2
245.09340	75.2
246.09621	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	245.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92792	1.6
58.02858	22.0
59.01261	5.5
61.98702	5.1
65.01314	1.9
66.36211	1.7
70.02863	17.7
71.55977	2.9
72.00781	4.3
72.04426	3.0
74.02359	100.0
74.96126	1.5
75.02694	2.3
98.02376	20.7
116.03444	26.6
116.04964	31.6
130.06535	6.1
131.98586	1.7
135.04428	4.3
136.40759	1.7
137.09642	2.0
142.06526	6.3
145.02989	2.0
146.03392	2.4
147.03433	1.6
159.09238	6.3
179.03493	2.7
186.05577	3.3
198.47388	1.8
201.10117	3.8
203.08231	67.9
204.08495	5.0
209.11819	3.7
217.01314	2.0
225.75917	1.8
231.81384	1.9
245.00966	4.1
245.04626	6.2
245.09340	75.2
246.09621	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	245.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99718	0.6
58.00469	0.7
58.02857	1.9
59.01268	4.4
61.98724	0.7
69.42888	6.2
70.02866	1.1
73.14507	0.7
74.02361	5.0
80.20872	0.7
81.03351	1.6
83.04920	4.6
84.02065	1.4
98.02356	0.7
98.20597	1.3
116.03473	1.6
116.04942	1.2
125.03424	0.7
125.09653	2.2
127.11177	6.5
128.90335	0.6
134.43729	0.8
137.09659	1.2
139.11179	0.8
155.10719	2.0
157.12262	1.1
163.11266	3.3
165.09189	1.3
165.12790	1.6
171.10191	2.1
183.10184	1.0
191.10713	0.9
199.09801	1.7
201.11310	78.7
202.11626	5.7
203.08290	4.1
203.12907	11.3
209.11818	100.0
210.12132	7.9
227.12906	18.9
228.13156	1.5
245.04509	0.8
245.09488	5.5
245.14032	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	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	36.0
60.01617	0.4
61.98714	0.5
64.12434	0.3
65.86465	0.3
65.99719	0.2
71.55994	0.6
94.71546	0.3
106.93889	0.2
120.70832	0.3
127.11218	3.6
139.11191	1.1
145.02911	0.3
155.10725	1.9
157.12280	16.0
158.12605	1.1
178.82735	0.3
185.11800	16.4
186.12158	1.1
203.12862	100.0
204.11435	0.2
204.13203	5.1
204.14983	0.4
245.04562	0.7
245.11876	0.3
245.13951	7.0
246.14354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1706
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
55.57540	0.1
56.82912	0.1
57.03345	0.1
59.01262	0.3
69.80779	0.3
69.81192	0.5
94.60603	0.1
107.86488	0.1
125.67521	0.2
140.26599	0.1
174.99066	0.2
186.95650	0.2
204.15106	0.2
205.16006	0.4
220.17021	0.3
231.13942	0.5
247.17061	100.0
248.17397	11.5
264.13586	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03330	1.1
57.47867	0.7
59.01262	10.8
59.81712	0.6
68.48675	0.7
68.76781	0.7
69.03343	30.1
69.61865	1.8
69.62275	3.6
71.01276	1.5
73.73838	0.6
83.04900	2.3
88.36474	0.7
93.03381	0.7
95.04935	3.5
97.06480	2.2
99.10178	0.7
101.02376	0.7
106.04134	0.9
111.08056	0.7
121.06516	1.3
121.52103	0.7
123.08065	1.5
133.10129	1.2
134.07271	1.3
135.08067	0.9
137.09615	0.8
144.65926	0.6
149.09680	1.1
149.13284	3.4
151.11105	0.8
159.11774	0.9
161.13266	1.1
167.10674	3.4
168.11145	0.8
171.10242	1.4
175.11203	0.8
179.10861	1.0
187.14853	3.4
192.44110	0.7
193.12323	6.8
197.16798	0.8
203.14407	1.1
205.12329	8.9
205.15952	8.6
206.16275	0.8
207.08577	0.7
221.15462	12.6
222.15732	1.6
231.13911	28.9
232.14272	2.7
249.14992	100.0
250.15121	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	249.1863
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.10340	0.4
56.38256	0.4
56.62408	0.5
59.01264	3.6
61.98695	0.6
70.01346	0.4
70.86460	1.3
71.01265	0.8
99.84414	0.5
109.06483	0.6
111.52491	0.5
177.49846	0.5
187.80753	0.5
205.15851	0.6
205.19583	0.9
229.20804	0.5
231.17592	0.8
247.17169	0.9
248.97272	0.5
249.11415	1.6
249.18622	100.0
250.14540	7.1
250.18925	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	253.2176
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01265	92.5
71.13426	20.4
87.27005	9.3
127.01928	9.3
136.11900	8.8
160.01556	9.6
161.01175	10.4
181.40666	8.1
189.23442	8.1
193.07187	20.3
253.21747	100.0
254.22101	10.0
265.80838	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	257.0823
Annotation	Cochinolide
Peak:m/z	Relative Intensity
59.01270	0.3
65.03848	7.4
67.01772	0.3
71.57249	0.2
74.16058	0.1
74.79197	0.1
79.89821	0.1
80.02563	0.2
83.04861	0.2
91.01789	1.5
93.03361	4.2
94.03707	0.2
96.95914	0.2
107.04934	10.8
108.02085	0.4
108.05268	0.3
109.02860	8.0
110.03201	0.3
119.04940	0.3
122.03636	1.5
128.42969	0.1
132.02161	0.2
133.02863	0.3
135.00798	2.3
137.02446	0.2
143.04912	0.2
150.03145	1.0
151.03949	100.0
152.04291	3.8
153.01888	0.8
156.05751	0.2
163.03972	1.6
165.24403	0.1
169.06543	0.2
172.05260	0.1
185.06041	0.4
197.00960	0.2
200.04770	0.2
213.05548	0.5
223.11076	0.1
229.08676	0.3
256.23669	1.1
257.08224	18.3
257.23801	0.7
258.08481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0823
Annotation	Davidigenin
Peak:m/z	Relative Intensity
51.46138	0.2
55.44444	0.2
55.99882	0.2
59.01255	0.5
65.03846	6.8
70.89871	0.4
70.90215	0.3
83.04926	0.3
91.01798	1.4
93.03356	3.6
101.86114	0.3
107.04932	10.9
108.02133	0.3
108.05322	0.2
109.02855	7.9
110.03235	0.3
119.04980	0.3
122.03632	1.6
133.02916	0.6
135.00815	1.6
136.01636	0.2
149.02399	0.4
150.03099	1.1
151.03946	100.0
152.04280	4.4
153.01849	1.1
163.03917	1.1
224.75609	0.2
234.14377	0.3
256.23666	2.6
257.08234	16.5
257.17621	0.3
257.23917	2.0
258.08548	1.3
268.77289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0229
Annotation	alpha-D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
51.01345	1.7
53.31137	1.6
56.19778	1.8
66.12026	2.4
71.45727	2.5
73.06403	1.6
78.95792	60.2
80.96407	1.9
92.95869	2.1
96.96858	100.0
98.20496	1.9
105.67806	1.7
132.95396	3.8
138.97914	5.2
144.95421	5.9
146.86626	2.6
147.57155	1.8
154.90550	2.5
163.04616	2.1
168.98955	3.5
174.96429	4.0
182.67987	1.8
199.00150	4.3
204.97513	2.5
216.90584	2.4
222.98582	13.5
231.24577	1.8
240.93179	2.3
259.02261	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	259.0616
Annotation	2-Methoxy-6-acetyl-7-methyljuglone
Peak:m/z	Relative Intensity
54.22213	0.3
59.01258	0.9
61.98689	0.4
65.03854	0.4
67.01771	3.5
68.99719	0.4
69.03341	8.9
69.55569	2.6
75.82127	0.3
78.91779	0.4
80.61609	0.4
83.01283	0.3
90.05700	0.3
93.03357	2.2
95.01294	1.0
97.02859	4.7
98.19807	0.7
106.04108	0.4
107.04954	0.9
108.02058	0.9
109.02859	22.1
110.03211	0.5
111.00771	0.4
117.03372	0.8
119.04952	0.7
121.02857	2.9
123.00787	1.7
124.01624	1.7
125.91494	0.3
131.04976	0.4
132.02109	1.1
133.01393	0.5
133.02881	28.6
134.03676	19.5
135.04446	100.0
136.04778	3.9
137.02362	10.6
139.03947	2.0
143.04912	0.8
144.05730	0.3
145.02866	1.7
146.03662	2.8
147.04417	2.9
149.02386	1.8
150.03210	0.6
156.05702	0.4
158.03622	0.4
159.04449	3.0
159.08101	0.7
161.02385	93.8
162.02739	3.7
163.03932	2.7
167.04961	0.9
168.43376	0.3
169.06549	1.0
171.04472	1.8
172.05241	6.6
173.06044	2.7
174.03142	0.7
177.01906	1.3
178.02644	3.5
184.05261	0.5
185.06070	6.4
186.06581	0.7
187.03973	1.1
187.07608	5.8
188.04703	1.6
189.05580	0.4
194.02017	0.4
195.04466	1.0
196.05174	0.7
197.06047	1.5
198.03236	0.4
199.04008	0.5
200.04660	2.0
203.03418	0.6
204.04274	0.4
211.03883	0.4
212.04692	0.9
213.05551	3.1
214.06091	0.6
215.07129	76.7
216.04337	0.5
216.07437	4.4
217.05064	0.5
231.06715	0.5
241.05016	2.8
242.05424	0.5
259.06161	52.6
260.06461	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	259.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	20.8
71.35841	1.5
99.86568	0.7
128.60722	0.8
137.09637	8.4
137.35185	0.7
155.10716	100.0
156.11069	5.4
171.10204	24.2
181.08629	2.0
183.33609	0.8
198.39626	0.9
199.09737	40.4
200.10107	2.8
217.10803	98.5
218.11179	5.6
259.11893	22.7
260.12344	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	259.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59743	0.5
69.55677	0.6
71.04926	0.7
74.88287	0.5
80.02574	1.7
81.03352	1.6
83.04906	5.9
84.02043	3.0
88.77645	0.4
95.04940	0.7
96.29312	0.5
97.06496	0.5
98.19746	1.0
100.47231	0.5
104.51471	0.5
125.06003	0.7
135.08136	1.1
147.64278	0.5
163.11244	4.2
165.12766	2.2
191.10742	1.6
209.11818	100.0
210.12170	4.7
227.12898	10.9
237.11884	0.7
266.23679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19165	0.4
59.01262	100.0
60.01600	1.4
61.32907	0.4
65.50990	0.5
71.01263	1.0
71.57845	0.6
101.02358	0.6
112.62968	0.5
263.09695	0.5
263.13004	1.4
275.61194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40466	0.3
54.37600	0.4
54.69882	0.4
55.21613	0.3
59.01265	100.0
60.01612	1.1
71.01279	0.9
71.99677	0.3
73.02820	0.8
83.01261	0.4
98.20602	0.7
101.02363	0.8
105.06281	0.4
145.64412	0.4
183.99890	0.3
192.89682	0.4
200.72719	0.4
209.11926	0.5
215.17120	0.4
219.13943	0.5
229.43042	0.5
241.75475	0.4
261.67538	0.4
263.05350	0.5
263.13165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1296
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.96305	1.3
54.91723	1.4
57.03325	1.6
57.33665	1.3
59.01267	100.0
69.29896	7.3
69.30326	6.1
71.01280	3.9
73.02847	2.2
75.00800	1.7
83.04927	2.9
85.02871	1.9
91.99992	1.4
95.04932	1.5
97.02862	8.3
101.02380	1.7
101.06007	1.5
107.04932	3.2
108.05747	4.2
109.02870	6.1
109.06542	1.6
111.04408	7.9
111.08063	1.5
113.05994	7.7
119.08589	3.2
121.06539	1.8
122.03659	8.8
123.08067	4.4
125.06046	8.6
135.08142	1.8
136.05237	10.9
137.06018	4.2
138.06801	11.1
139.07588	26.0
148.05231	7.3
149.06062	2.6
151.07590	52.2
152.04730	5.6
152.08383	26.0
153.09193	10.1
159.11780	3.4
161.09700	3.8
163.07634	9.0
167.07069	2.5
175.11221	1.3
186.10497	1.6
189.09210	4.0
191.11034	1.6
201.12834	19.1
203.10777	12.2
204.11548	43.0
205.11934	1.6
219.13901	60.0
220.14177	4.1
227.12816	2.7
263.09720	1.6
263.12912	13.3
263.16052	2.4
264.13330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.202
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01262	4.2
65.39890	0.3
67.53724	0.2
71.01270	0.8
71.57213	0.4
79.04690	0.2
83.04920	0.5
93.03355	0.3
93.29369	0.2
99.74778	0.3
113.02364	0.4
127.07582	0.3
145.02829	0.3
183.82323	0.3
193.61661	0.3
219.21271	0.7
245.19107	0.4
256.71011	0.3
261.18613	0.7
263.20193	100.0
264.20532	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	265.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
57.04528	3.0
59.01263	100.0
61.28926	2.4
63.62079	2.4
70.00980	13.2
71.00896	5.7
71.01268	67.4
72.99199	8.0
83.01238	2.9
85.02845	51.4
89.01823	5.1
89.02336	46.6
89.89118	2.6
95.01288	4.1
101.02336	26.7
111.00748	2.8
113.02354	27.3
119.03421	22.3
129.01898	4.3
143.03368	3.9
161.04422	4.8
163.03949	4.7
179.05608	5.2
226.55087	3.0
265.09219	6.4
265.14505	4.1
274.49142	2.8
276.70740	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	265.2178
Annotation	Hydroprene
Peak:m/z	Relative Intensity
58.68031	0.3
58.85787	0.3
59.01255	1.8
66.25669	0.3
67.36492	0.3
71.48870	0.4
71.49219	0.4
92.96024	0.3
96.95906	2.4
134.42039	0.3
163.04004	0.4
192.84499	0.3
194.89970	0.3
199.36446	0.3
203.71985	0.3
209.86491	0.4
211.91985	0.3
223.07895	0.3
231.60574	0.3
247.20750	0.4
265.14905	2.2
265.21774	100.0
266.22147	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	267.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.0
63.62264	0.5
71.58298	0.8
72.99207	4.5
75.00770	4.1
85.02848	0.8
105.01839	100.0
106.02180	1.8
112.22955	0.6
133.02876	8.8
134.03172	0.6
135.04449	5.3
161.02388	34.3
162.02747	1.4
171.24260	0.6
179.03476	1.7
207.47728	0.6
249.15099	0.9
264.58176	0.6
267.05212	2.3
285.69073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2334
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
69.27297	3.4
69.27726	3.2
69.59591	0.6
72.15919	0.6
77.63799	0.7
124.40567	0.5
130.31529	0.8
182.29323	0.7
217.15230	0.6
267.23343	100.0
268.23676	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	269.1302
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
58.12493	0.7
59.01265	1.7
60.46103	0.7
67.03384	0.6
70.49995	2.8
70.97017	0.7
71.01267	1.2
85.02840	0.8
90.97025	1.0
117.03364	1.4
120.04446	1.4
123.93954	0.6
132.98122	1.0
136.07722	0.7
144.60295	0.6
147.21320	0.7
160.28209	0.8
167.14378	0.7
186.95508	4.5
211.08736	3.7
212.09262	0.9
225.10347	7.3
225.22209	1.4
226.10957	1.3
230.11935	0.7
239.08340	3.9
241.13484	3.3
253.09943	2.6
254.10634	21.3
255.11032	1.8
269.04715	8.2
269.13007	100.0
269.21271	24.9
269.24860	8.0
270.04840	0.9
270.13354	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	271.0618
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
60.37355	0.3
63.02282	9.3
65.00209	15.7
68.99697	0.3
78.43058	0.2
83.01273	10.4
93.03356	13.3
93.91553	0.3
95.01265	0.3
107.01294	26.1
108.01570	0.5
108.99291	0.3
109.02882	0.4
115.54849	0.2
117.03394	0.5
119.04941	71.1
120.05275	2.6
121.02879	0.7
125.02348	1.0
131.35231	0.2
133.02892	0.5
137.02351	0.6
143.04936	1.0
145.02927	1.4
145.41505	0.2
151.00304	64.8
152.00595	1.8
161.06030	1.6
165.01886	3.8
169.01379	4.5
171.04546	0.3
174.01706	0.4
177.01884	9.4
178.02234	0.5
185.06049	1.4
187.03958	3.1
188.04344	0.3
199.03964	0.3
201.05467	0.3
204.86919	0.3
227.03493	0.4
227.07123	1.4
229.05103	0.7
243.03008	0.4
254.88936	0.3
271.02759	4.6
271.06155	100.0
271.22751	0.7
272.03278	0.6
272.06476	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	271.0618
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.74553	0.3
63.02282	9.4
65.00208	16.9
67.52103	0.3
70.60104	0.3
71.04548	0.6
83.01270	11.7
93.03358	14.4
94.03696	0.7
95.01296	0.4
102.53687	0.3
104.80864	0.4
107.01294	25.8
109.02869	0.4
116.59519	0.3
119.04941	74.4
120.05267	2.7
121.02861	0.8
123.00815	0.3
125.02361	1.3
130.39581	0.4
137.02388	0.5
143.04965	1.3
144.74854	0.4
145.02899	1.4
151.00305	66.3
152.00639	1.9
161.06049	1.5
165.01904	3.1
169.01373	4.8
177.01901	9.3
178.02150	0.4
179.26907	0.3
185.06078	1.3
187.04015	2.9
206.57628	0.4
209.15460	0.5
227.07181	1.4
227.16504	0.8
229.04939	0.6
235.13467	1.2
239.13037	0.4
253.05177	0.5
253.14534	1.8
271.06165	100.0
271.15567	2.9
271.22836	1.4
272.06506	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	271.2284
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.64388	0.3
52.92580	0.2
53.01503	0.3
59.01254	0.9
63.02293	0.4
65.00200	0.4
67.87160	0.3
70.05901	1.1
88.03935	0.8
91.36610	0.3
93.03333	0.3
107.01297	0.4
108.02071	0.3
119.04942	1.3
125.02362	0.8
151.00302	1.1
225.22235	4.5
241.04979	0.5
253.21716	1.9
269.21344	0.8
271.03232	0.4
271.06165	1.8
271.22827	100.0
272.06299	0.3
272.23181	8.2
288.42468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2285
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.66450	0.6
61.63883	0.7
66.15152	0.7
67.87524	0.6
71.05235	1.6
76.05286	0.8
79.61110	0.6
79.98755	0.6
83.07351	0.6
107.01314	1.1
108.02067	0.8
119.04936	2.6
151.00299	1.9
197.19125	1.0
210.65802	0.6
223.20636	3.6
225.22226	53.6
226.22595	4.0
253.21794	1.7
269.21133	0.8
271.06131	3.6
271.22827	100.0
272.23160	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	273.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19352	0.5
57.02194	0.6
59.01258	1.8
59.51783	0.5
60.62251	0.5
61.98713	0.6
69.13406	0.5
71.30091	0.5
71.30406	0.7
72.99239	0.6
79.93274	0.5
119.04922	0.7
125.02429	1.1
151.11218	1.7
169.12280	95.3
170.12611	4.4
191.82036	0.6
197.11798	20.2
198.12196	0.8
213.11319	3.2
241.10820	100.0
242.11166	6.6
268.62064	0.6
273.00427	0.8
273.03912	1.8
273.07037	1.2
273.13715	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	273.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41432	0.2
55.01773	0.5
59.01249	0.5
69.34386	2.2
73.78416	0.2
81.03355	1.0
83.01270	3.7
83.04929	0.5
84.02042	2.0
95.04916	0.3
97.02847	0.4
97.06474	0.5
109.06528	0.4
111.08074	0.3
123.08077	0.4
125.09638	5.4
127.11205	1.4
135.08080	0.7
144.03059	0.2
147.11723	0.6
153.09131	0.5
163.11261	1.7
165.12787	1.1
171.10226	3.8
181.12250	0.3
182.13080	0.8
191.10745	3.2
197.15340	0.3
207.10231	0.5
209.11819	4.3
210.12225	0.3
211.13391	0.6
223.13441	1.0
226.11977	1.3
239.12743	0.4
241.14449	1.7
243.16078	1.2
273.17117	100.0
274.17453	7.1
274.20490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57550	2.2
57.03337	2.2
59.01258	26.4
69.03345	2.9
71.01266	38.3
71.04901	2.0
71.56486	3.6
80.02602	2.9
80.70318	1.8
81.03349	8.0
81.63828	2.0
83.04905	6.7
93.03329	2.3
95.04923	4.9
97.02844	13.3
97.06476	5.8
99.04388	2.2
105.03304	3.1
106.04095	2.1
107.04921	2.2
109.06493	58.7
110.03620	3.4
110.06837	3.2
117.03383	3.2
121.06502	7.2
123.04504	2.4
133.02873	12.3
134.03661	100.0
135.04395	3.4
135.08099	6.3
136.05106	2.8
137.02397	4.9
142.02670	8.2
143.32832	2.1
145.02879	6.9
149.02396	4.0
161.02390	18.1
161.09673	4.7
162.03172	70.9
163.03528	2.3
163.11237	37.5
171.10220	7.5
177.01949	2.6
178.02705	4.9
181.12277	15.9
185.11806	2.4
187.07661	2.3
199.09766	2.1
199.13382	7.4
207.10255	71.8
208.10593	4.0
225.11285	18.3
231.10231	13.5
243.12440	5.8
275.06201	4.1
275.09332	83.1
275.15042	4.4
276.09634	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	275.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38153	0.5
55.38848	0.4
57.03326	0.8
59.01259	2.3
59.32749	0.4
66.03127	0.4
68.22353	0.4
71.01277	0.9
72.99196	16.2
73.02831	6.9
75.00764	79.4
75.78244	0.5
76.01091	0.5
83.15939	0.4
97.06489	0.5
98.20573	1.3
147.10895	0.4
154.05035	0.4
155.14340	1.1
181.15897	0.4
183.17503	2.0
192.95775	0.7
213.18571	1.8
257.17548	0.7
275.18683	100.0
276.19019	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	275.2021
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
57.02185	0.4
59.01265	3.7
59.73167	0.4
69.03326	0.4
70.73909	0.8
70.74239	0.3
71.01260	1.0
78.55057	0.4
83.04933	0.7
88.15417	0.3
95.12550	0.3
99.04415	0.3
130.33896	0.3
157.62083	0.4
177.16469	1.3
187.03894	0.4
231.21175	5.2
232.21446	0.8
244.91475	0.4
257.19144	0.6
273.18665	0.5
275.20209	100.0
276.20563	9.0
276.23541	0.5
276.88312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2022
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
51.24714	0.4
58.48421	0.5
59.01262	6.2
65.99009	0.5
71.01266	0.8
76.64201	0.4
81.57445	0.4
83.04914	0.7
96.80034	0.5
99.37998	0.6
110.25459	0.6
111.04391	0.4
149.13319	0.6
177.16469	1.4
207.55855	0.5
229.70132	0.7
231.21193	6.7
257.19202	0.6
273.18576	0.5
275.20212	100.0
276.20569	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	277.1815
Annotation	Fenoksan
Peak:m/z	Relative Intensity
54.29253	0.6
54.95451	0.6
55.98268	0.5
56.51242	0.6
59.01261	3.6
65.18325	0.6
67.45991	0.6
71.01260	1.0
71.29456	0.5
71.56509	1.2
97.06486	0.8
101.02330	0.6
121.02805	0.7
131.09746	0.6
132.88861	0.6
134.07286	1.1
136.08875	0.8
149.09645	1.3
151.10060	1.2
151.11226	19.0
152.11571	0.9
158.88130	0.6
161.09747	0.6
183.67528	0.6
194.92798	1.3
203.14441	0.8
205.15926	1.7
207.13841	2.4
233.00966	0.6
233.15523	1.4
233.19104	10.4
234.19328	1.0
259.17108	6.1
277.18124	100.0
277.21725	45.2
278.18509	7.6
278.22055	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	277.2176
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.17945	0.3
53.11212	0.3
59.01274	1.8
69.57935	1.9
69.58350	0.9
71.01289	0.4
77.40025	0.3
98.71274	0.4
105.45459	0.4
199.70923	0.4
277.21771	100.0
278.22137	6.7
279.35852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2176
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.05292	0.2
55.14745	0.2
59.01254	0.8
62.46036	0.1
70.17946	0.9
71.01254	0.4
71.44048	0.2
75.11954	0.2
85.95436	0.2
207.44003	0.2
233.22708	0.5
259.20651	0.3
275.20187	0.3
277.21768	100.0
278.22125	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	279.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21715	0.4
56.44713	0.5
59.01250	1.6
66.40137	0.6
71.01268	20.3
71.55911	0.8
93.03364	0.6
99.50911	0.5
115.00280	11.2
119.04941	59.9
120.05260	2.3
133.01344	8.3
135.04442	1.0
163.03954	100.0
164.04266	3.3
182.13176	0.5
191.03343	0.5
219.03053	1.8
234.05351	0.8
234.99942	0.5
249.07579	0.5
279.08829	1.3
279.23193	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	279.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.8
59.01265	3.8
62.73595	0.6
69.70446	4.8
71.01263	20.2
72.99195	4.6
73.02853	1.0
83.01277	1.0
85.02875	0.9
87.00771	1.2
89.02335	2.5
101.02348	2.9
105.01875	0.8
109.02892	0.7
113.02287	0.9
115.00282	42.5
117.03383	0.6
119.04939	38.7
120.05296	1.2
124.79958	0.7
127.00288	0.9
129.31636	0.7
133.01350	100.0
134.01674	2.5
145.02879	2.1
147.04431	5.0
163.03952	31.8
164.04268	1.3
209.73343	0.6
216.25896	0.7
261.07599	1.1
277.93469	0.7
278.22079	1.3
279.05243	0.8
279.08939	1.5
279.12277	1.0
279.23288	4.9
283.94928	0.7
299.97336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.109
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
52.08959	0.9
53.89030	0.9
56.76197	0.9
58.00464	0.9
59.01261	32.5
70.94244	0.8
71.01270	18.9
71.04909	5.2
71.56635	1.5
72.18726	0.9
72.99206	1.8
73.02838	1.1
75.00765	0.9
76.66489	0.9
83.01276	1.9
85.02844	5.2
87.00767	1.6
89.02337	22.0
95.01241	1.1
99.04413	10.2
100.05399	1.0
101.02340	12.9
103.91934	1.3
105.01825	1.8
113.02345	7.9
117.05479	32.8
118.05779	0.8
119.03416	9.7
122.89325	2.4
136.83273	0.8
147.06552	1.2
159.06572	1.2
176.72574	0.9
179.03445	1.2
179.05475	1.5
243.06183	1.2
279.10895	100.0
279.23242	5.1
280.11172	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	279.1244
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
55.01766	1.5
57.03336	8.2
59.01259	2.4
69.03342	3.1
69.64139	2.7
69.64568	2.6
76.62749	0.8
79.05433	0.7
81.03348	2.5
83.01291	1.5
83.04918	3.9
84.02058	1.4
87.04404	1.0
87.42471	0.8
93.03362	1.2
95.04907	2.3
96.95918	1.3
97.02850	7.8
97.06477	2.1
99.04420	6.2
107.04932	2.7
109.02869	1.5
109.06511	3.4
111.04430	3.9
121.06528	5.4
122.03599	1.4
123.04431	0.9
123.08068	3.2
125.06000	10.7
129.76340	0.8
133.06494	1.7
135.04449	2.6
135.08084	2.5
136.05231	17.0
137.05803	0.9
137.09659	3.6
139.07564	5.5
147.04475	1.3
147.08086	2.4
147.11746	2.9
149.06009	1.5
151.07587	100.0
151.11180	10.9
152.04764	1.8
152.07936	4.2
153.05467	1.3
156.09389	2.2
158.07332	2.8
159.08102	0.9
161.05966	1.3
161.09676	1.7
162.06772	1.4
163.07550	0.9
165.09149	1.8
167.07094	5.2
168.07877	28.3
169.08681	11.9
171.08105	2.5
171.11748	5.0
173.09669	7.2
175.11183	4.2
179.07109	6.6
179.10739	2.6
184.08904	18.6
185.09261	1.1
187.07637	1.0
187.11255	10.4
189.09186	1.8
189.12813	9.8
190.10100	1.0
191.10698	2.5
199.11272	10.2
201.09215	7.1
202.09988	5.0
203.10696	1.8
205.12314	37.9
206.12767	2.2
215.10744	5.4
217.12329	59.6
218.12672	3.7
235.13416	7.8
236.53052	0.8
238.71858	0.8
243.10210	1.2
249.11403	1.9
261.11417	4.5
279.12411	19.8
279.23380	4.3
280.12674	1.2
297.63272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1972
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
56.47812	0.6
59.01272	4.5
71.01273	2.3
73.09374	0.6
75.82879	0.6
87.50511	0.7
97.06465	1.4
98.20483	1.6
110.01555	0.5
140.62096	0.6
153.36995	0.6
179.14348	0.9
181.12288	0.8
195.13890	13.0
199.25798	0.6
205.12317	1.0
205.15987	0.8
211.13400	1.5
212.54164	0.6
217.19554	1.1
223.13425	11.1
224.13913	0.9
228.13719	1.2
239.12955	1.0
251.20050	0.7
256.13156	3.9
261.18674	9.0
279.19727	100.0
279.23093	9.0
280.20035	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	279.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92954	0.5
52.02464	0.5
56.57404	0.5
59.01255	1.0
71.42039	0.9
71.42371	0.5
271.40820	0.5
279.23349	100.0
280.23715	8.8
280.49048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37800	0.1
59.01252	0.5
59.65827	0.1
61.86449	0.1
63.29562	0.1
69.28596	1.4
69.28883	0.1
71.01270	0.2
109.69141	0.1
115.49670	0.1
261.22299	0.5
279.23343	100.0
280.23715	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	281.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94618	0.8
55.79959	1.0
59.01269	6.8
59.01522	1.2
70.57384	2.4
70.57758	1.4
71.01260	2.5
71.62222	0.8
72.01252	0.8
72.99205	2.0
73.02839	6.0
73.73436	0.9
75.00761	11.8
87.00764	9.9
89.02341	2.4
102.40763	0.9
117.01854	11.6
119.04943	83.6
120.05260	3.4
135.02921	30.2
135.03938	1.4
145.02855	1.4
156.55003	0.9
163.03955	100.0
164.04318	4.2
194.08243	0.8
243.49773	0.9
243.72401	0.8
281.24847	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	281.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.2
63.66275	0.4
69.52834	1.8
69.53247	0.9
71.01270	2.1
72.99193	1.5
73.02838	6.2
75.00771	1.4
85.02852	0.9
87.00768	10.0
88.51073	0.4
88.86694	0.3
88.98700	1.1
89.02336	0.9
93.03350	1.1
98.19685	0.4
101.02348	1.2
113.02345	1.2
117.01849	17.2
118.02159	0.5
119.04942	49.6
120.05286	1.7
124.70318	0.4
135.02911	7.6
145.02866	1.4
161.04483	0.9
163.03954	100.0
164.04295	3.9
221.06580	0.8
239.12929	1.0
259.18658	0.4
281.06625	1.1
281.09241	0.5
281.24857	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	281.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
69.92902	1.1
69.93290	1.8
71.01264	1.1
72.99205	1.7
73.02831	5.5
75.00759	7.8
84.87058	0.6
87.00768	8.5
89.02331	1.5
113.19388	0.6
117.01852	13.5
119.04941	62.5
120.05296	1.6
135.02924	27.5
136.31506	0.6
163.03952	100.0
164.04269	4.7
230.18408	0.8
281.06793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.6
63.03497	0.3
71.01276	1.4
71.43626	0.8
72.99200	1.9
75.00761	28.0
76.01080	0.3
82.75735	0.3
87.00769	0.8
89.02328	5.3
93.03328	0.4
100.36324	0.3
117.01858	2.2
117.03344	0.6
119.03439	1.6
119.04941	39.1
120.05278	1.5
135.02916	100.0
136.03256	2.1
145.02855	1.0
161.02394	0.9
163.03951	41.8
164.04330	1.7
180.89366	0.4
203.79692	0.4
220.45659	0.4
236.31065	0.4
281.06937	0.4
281.24896	0.6
288.94531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.6
69.53094	2.6
71.01257	0.6
72.99193	0.7
75.00769	3.4
87.00766	0.7
88.79096	0.3
89.02344	0.8
93.03363	0.9
116.52381	0.3
117.01900	0.6
117.03366	0.6
119.03460	3.3
119.04942	59.7
120.05283	2.5
124.64124	0.3
133.75293	0.3
134.03644	1.5
135.02922	20.2
136.03241	0.5
145.02931	0.6
161.02394	1.0
163.03952	100.0
164.02930	0.2
164.04283	5.3
179.03188	0.3
193.05074	2.2
200.86264	0.3
281.06802	1.7
281.25024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85968	0.3
59.01262	2.6
62.77325	0.3
71.01266	1.1
71.04968	0.8
71.42712	0.3
72.99204	2.3
75.00761	23.7
76.01084	0.4
89.02344	3.6
98.17905	0.3
98.65465	0.3
110.79761	0.3
117.01839	1.7
117.03374	0.6
119.04940	25.2
120.05255	0.9
135.02917	100.0
136.03258	1.6
145.02850	1.3
163.03955	46.7
164.04298	2.2
213.52299	0.3
281.06769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2129
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
51.51666	0.4
57.03337	0.9
59.01265	15.2
62.10565	0.4
71.01278	1.8
71.57674	0.8
78.06019	0.5
83.04903	0.5
94.10979	0.4
99.08038	2.2
101.02287	0.7
107.27818	0.4
137.09683	2.1
144.35905	0.5
146.56558	0.4
157.98448	0.5
161.04512	0.8
163.03943	0.6
177.12764	0.6
178.24875	0.5
179.14357	1.1
195.13893	20.0
196.14195	1.2
199.39713	0.4
219.21185	0.7
221.11876	0.6
237.22113	0.6
239.12927	6.2
240.13316	0.5
263.20203	17.8
264.20569	1.3
281.21286	100.0
282.21622	9.4
302.76852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0412
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.40744	0.2
53.76224	0.2
58.44911	0.2
59.01263	1.1
63.02278	1.2
65.00208	0.6
67.01791	0.2
71.57368	0.4
79.01768	0.2
83.01266	1.0
91.01791	0.3
93.03355	2.6
95.01272	0.3
100.44724	0.2
102.52801	0.2
107.01296	1.8
108.02081	0.5
109.02866	0.8
110.27240	0.2
117.03374	0.8
119.01291	0.3
121.02887	0.2
123.00819	0.4
123.04442	0.7
131.04910	0.4
133.02876	0.4
135.00798	0.7
137.02364	0.6
139.50157	0.2
143.04991	1.1
145.02917	1.0
151.00319	1.4
154.04182	0.8
155.04921	0.6
157.02950	0.4
157.06544	0.8
158.03673	0.3
159.04468	1.7
161.02423	0.9
163.00276	0.6
164.01076	0.4
167.04976	0.4
169.01350	0.3
169.02776	0.3
169.06541	1.1
171.04449	1.1
173.02463	0.4
173.05988	0.2
175.03938	0.3
183.04488	0.5
184.05258	0.5
185.06064	2.4
187.03999	1.9
189.05536	0.4
195.04497	0.5
197.06046	0.2
197.11909	0.3
199.03922	0.3
201.05693	0.4
211.04028	1.1
211.13383	1.7
212.04678	0.2
213.05621	1.1
214.02621	0.9
215.03471	0.7
219.02931	0.4
220.32654	0.2
227.03506	1.0
229.05098	1.8
239.03496	1.5
240.04245	0.4
241.05115	0.3
243.03053	0.7
255.02994	0.5
256.03870	0.4
257.04688	1.1
267.02942	0.4
284.03421	0.3
284.26874	2.7
285.04108	100.0
285.27127	1.1
286.04465	7.1
287.93344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01583	1.0
67.99076	0.5
71.18560	1.0
73.02833	0.6
136.13116	0.6
139.11176	0.5
181.12297	92.1
182.12608	5.5
183.10210	0.7
186.72176	0.5
225.11308	17.3
226.11649	1.0
229.73860	0.5
243.12431	2.9
272.35135	0.5
285.04065	2.1
285.13519	4.2
285.27066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23394	0.7
52.53574	0.8
59.01263	100.0
69.41764	6.9
76.05590	0.9
89.03086	0.8
98.20490	1.9
181.12302	88.7
182.12740	4.0
205.08624	1.2
225.11293	9.5
277.65741	0.9
284.26791	1.0
285.04077	13.2
285.13443	1.5
285.27072	2.6
286.04648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2394
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01262	1.0
59.73351	0.3
64.47619	0.4
69.37209	2.3
69.37635	1.1
70.02884	0.8
73.05043	0.3
74.05993	1.5
108.18459	0.4
117.07002	3.8
118.05006	0.8
125.02325	0.8
155.55954	0.3
156.64526	0.3
193.57246	0.4
240.23300	3.1
241.23720	0.5
242.21245	1.7
242.24899	0.5
268.22894	1.0
279.59799	0.3
286.23920	100.0
287.16565	4.6
287.24307	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	287.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57772	1.8
57.03340	9.2
65.00195	3.2
65.03837	4.3
67.01758	2.9
70.87566	2.7
70.87907	4.3
76.81609	1.9
77.03840	2.4
83.01273	18.2
84.63579	1.7
93.03360	12.3
95.01308	2.0
97.02814	3.5
106.92551	1.8
107.01269	2.5
107.04934	4.4
108.02083	6.0
109.02858	34.7
111.00779	2.5
119.04939	33.1
121.02864	25.1
123.04385	3.4
124.01571	6.3
125.02362	75.5
131.04915	2.6
133.02829	4.5
135.04456	9.6
137.02362	83.9
138.03041	2.0
145.02921	2.8
145.06577	3.1
147.04445	8.0
148.05179	3.4
149.02377	44.2
149.05998	3.5
150.03177	12.6
151.03931	20.1
155.04962	2.5
157.06454	2.2
158.03702	3.1
159.04498	16.2
160.01761	1.9
161.02373	26.2
161.05986	3.4
162.03140	4.6
163.00310	2.1
163.03889	3.6
164.01079	5.5
165.01891	23.4
171.04488	3.4
172.05206	7.0
173.02347	2.3
173.06030	15.8
174.03162	6.5
175.03947	40.8
176.04590	5.3
177.01901	7.8
177.05530	15.4
183.04431	6.3
184.05035	2.2
187.03941	2.6
189.05528	7.7
191.07079	5.3
197.06042	6.0
199.03999	6.7
199.07698	3.2
200.04640	4.7
201.05550	38.7
203.03468	15.1
213.05539	2.7
215.03526	2.0
215.07059	8.9
217.05055	12.3
219.06613	27.7
225.05641	10.1
225.07562	1.8
227.03391	4.8
228.04408	2.1
241.05112	6.1
243.03014	3.5
243.04243	2.5
243.06656	28.7
245.04568	11.0
245.06776	1.9
258.05331	7.1
259.06134	40.7
269.04684	14.5
287.05655	100.0
288.05893	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	287.0567
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.18856	0.4
65.00202	2.9
67.01778	1.4
69.03336	0.7
69.41772	1.1
69.42181	3.1
79.63334	0.4
89.06210	0.5
93.03351	6.4
95.01260	0.9
97.02834	0.9
98.20599	0.9
109.02860	3.3
110.21832	0.5
114.03692	0.5
117.03376	4.8
119.04939	100.0
120.05275	2.1
121.02873	6.9
123.04393	0.8
130.04173	0.7
131.04953	2.5
133.06541	1.2
133.24107	0.5
137.02354	3.1
141.01868	1.4
143.04912	1.1
145.02873	9.0
147.04454	5.4
149.06007	0.6
151.00368	0.5
156.05724	1.3
157.06570	0.7
158.03662	0.7
159.04440	2.1
163.03946	4.1
169.06551	1.9
171.04475	1.3
171.08208	0.8
175.03979	1.6
177.05521	15.2
178.05888	0.5
181.06526	0.9
187.03947	1.5
190.56816	0.6
197.06032	2.6
199.07599	8.2
200.07990	0.6
203.03418	1.7
209.51828	0.4
213.02026	0.7
215.03523	2.1
217.01382	1.1
224.04767	0.6
225.05591	1.1
231.03030	1.5
241.01335	0.8
243.02951	1.1
243.06636	19.9
244.06975	1.1
259.02463	2.8
271.02499	0.6
287.02072	18.1
287.05682	11.6
288.02515	1.9
288.05765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09822	0.8
53.82591	0.7
57.03337	13.9
59.01268	1.7
63.02277	4.3
65.00208	8.2
67.36821	0.7
68.99696	0.8
71.01269	1.1
71.56184	1.2
81.03338	3.1
83.01273	10.3
93.03366	2.9
107.01295	7.6
107.04929	1.6
109.02842	2.0
111.00777	1.4
119.04933	4.4
119.42400	0.8
121.02866	2.0
123.04416	2.6
124.01575	2.4
125.02368	100.0
126.02699	2.9
127.16217	0.7
130.04195	0.9
131.04976	1.6
133.02899	3.5
134.03656	1.1
135.04408	3.7
137.02353	1.4
145.02924	1.5
147.04510	0.8
149.05878	1.0
151.00311	15.0
152.01083	8.9
153.01845	4.2
156.05754	1.2
157.06538	2.0
158.03773	0.9
159.04480	2.9
163.03922	0.8
165.01865	0.9
169.01357	1.9
171.04552	0.8
172.05223	1.3
173.06073	5.0
175.04028	1.3
175.07431	1.0
177.05524	15.5
178.05812	0.9
178.99828	6.4
197.06104	0.9
197.11900	1.1
199.03870	0.8
199.07571	3.2
200.04565	0.9
201.05583	8.7
203.03502	2.3
213.05550	1.0
215.07083	4.7
219.06674	2.4
225.05727	0.7
241.05060	2.0
243.06654	15.9
243.08984	1.5
259.06149	76.5
260.06564	4.3
269.04584	3.1
287.05676	59.3
288.05975	3.8
305.91281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1659
Annotation	Hynapene B
Peak:m/z	Relative Intensity
57.03318	0.7
59.01261	7.7
69.03322	0.7
71.58137	1.2
80.02564	0.7
83.04910	0.8
93.03356	0.8
95.04906	5.1
97.06486	1.0
104.68096	0.7
106.04135	2.0
107.04916	1.6
109.06499	8.2
119.04925	1.9
121.06467	3.3
121.10141	1.1
121.35643	0.8
123.08060	4.6
125.02339	3.1
133.06473	0.8
133.10103	0.8
135.08046	3.4
145.06546	1.1
147.08061	3.3
149.09627	3.2
159.08139	1.1
161.09636	2.9
163.07611	0.8
163.11183	0.8
175.11244	1.5
185.09659	0.8
186.10419	1.4
187.11302	0.9
189.12808	8.9
215.14406	1.1
225.16434	1.1
241.15987	1.2
243.06789	1.0
243.17563	32.0
244.17834	3.2
269.15564	1.7
287.16568	100.0
287.22110	2.7
288.16965	6.6
289.23462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	42.0
64.89069	18.9
71.01267	55.6
71.03558	61.9
72.99193	85.5
75.00793	22.6
78.95777	21.5
83.01266	29.5
85.02839	28.5
87.00777	87.0
92.85520	22.7
96.96846	24.9
99.00759	55.6
101.02365	19.7
111.00797	32.5
113.02338	29.3
115.00297	32.6
116.94287	19.4
127.00292	30.2
142.99757	28.4
169.01392	20.7
186.97365	31.7
234.96104	23.1
277.19800	21.3
289.07224	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	289.0724
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
57.03335	6.8
69.03345	1.6
69.63884	5.3
81.03338	9.2
83.01273	8.5
83.84686	0.7
93.03352	3.5
95.01244	1.9
95.04922	9.3
97.02848	16.5
98.20454	1.4
99.04424	0.9
108.02085	1.5
108.23490	0.8
109.02857	67.4
110.03172	0.9
121.02866	7.3
122.03642	2.5
123.04438	42.4
124.04787	2.4
125.02362	43.6
126.02681	1.4
135.04451	5.6
137.02365	21.2
138.03156	1.9
139.03947	10.4
145.02884	3.1
146.03642	3.2
147.04445	1.3
149.02393	12.0
150.03082	2.8
151.03949	25.7
152.04263	1.4
157.06462	1.0
159.04475	7.0
160.05269	4.7
161.02402	2.6
161.06029	13.0
162.03157	2.9
163.03917	2.2
164.01109	7.6
165.01875	9.5
166.02609	1.3
167.03436	3.7
173.06039	3.8
174.03185	1.7
175.03952	5.8
175.07573	6.1
177.05527	1.2
179.03467	14.1
185.06010	2.3
187.03952	11.9
188.04736	9.1
189.05344	0.9
199.07643	2.1
201.05611	1.6
202.06340	5.4
203.07121	34.3
204.07419	2.1
205.05058	21.0
212.04724	1.4
217.08679	2.3
221.08212	12.7
227.07085	5.7
229.04971	0.9
230.06013	1.6
231.03026	1.6
245.08205	36.0
245.10753	1.8
246.08504	2.4
247.06183	2.4
271.06104	1.9
289.07236	100.0
290.07520	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	289.0723
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03333	3.6
65.22158	0.3
69.03334	0.6
69.92085	0.9
69.92501	1.3
80.02548	0.4
81.03352	3.7
83.01276	3.0
89.51463	0.5
93.03376	1.9
95.01256	0.7
95.04923	6.0
95.43758	0.5
97.02845	11.2
98.20528	0.5
99.04401	0.6
100.99011	0.4
108.02079	1.2
109.02859	36.6
110.03194	0.8
111.04474	0.5
118.03593	0.4
121.02866	4.1
122.03632	1.3
123.04434	22.5
125.02364	27.4
126.02690	0.6
135.04454	2.8
137.02374	14.2
138.03104	1.7
139.03938	6.0
139.11797	0.4
145.02870	1.4
146.03650	1.5
147.04431	1.0
149.02371	6.4
150.03111	1.4
151.03947	16.1
152.04361	0.6
157.06511	0.6
159.04417	2.9
160.05217	2.6
161.02388	1.2
161.06018	8.0
162.03183	2.3
162.06303	0.6
163.03949	2.1
164.01077	4.0
165.01872	7.2
166.02603	1.0
167.03412	2.7
173.06010	1.3
174.03169	0.8
174.06647	0.4
175.03979	3.7
175.07628	2.6
177.05507	1.0
179.03435	10.5
180.03983	0.7
185.06026	1.5
187.03976	6.6
188.04756	6.6
189.05116	0.5
199.07567	0.9
201.05545	0.7
202.06317	3.5
203.07108	21.7
204.07433	1.2
205.05043	15.1
206.05299	0.7
212.04755	1.2
217.05211	0.7
217.08670	1.5
220.07515	0.4
221.08167	8.0
227.07123	3.7
229.05064	0.5
230.05836	1.6
231.03008	1.1
245.08208	34.4
246.08553	1.9
247.06192	1.9
271.06125	2.1
277.65906	0.5
289.07233	100.0
290.07593	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.2
59.01266	2.1
69.29098	0.2
69.76954	1.0
71.01259	0.2
80.02563	1.2
81.03359	0.6
83.04914	0.4
95.04919	1.0
97.06478	0.5
106.04147	1.5
107.04930	0.6
107.08566	0.2
109.06496	10.5
110.06854	0.3
111.08061	1.9
115.07570	0.2
117.07042	0.3
119.04940	0.4
119.08562	0.2
120.05717	0.5
121.06499	0.7
121.10146	0.3
123.08067	2.4
125.09666	0.2
129.09135	0.3
132.05708	0.2
133.10181	0.3
134.07249	0.2
135.08046	0.6
135.11662	0.3
137.09642	1.6
141.09135	0.3
143.10715	1.7
145.06531	3.0
146.06886	0.2
147.08099	0.4
149.09650	1.9
150.36519	0.2
151.11188	0.8
154.48703	0.1
158.63124	0.1
159.08089	0.5
161.09741	0.4
163.11244	1.1
165.09166	0.3
167.09349	0.2
167.10719	2.4
172.21582	0.1
173.09636	0.2
175.11232	0.2
177.09131	0.4
177.12814	0.5
178.53261	0.1
179.10698	0.8
181.12320	0.8
182.12631	0.1
189.12842	0.2
191.14334	0.7
202.75856	0.1
215.14346	0.4
216.15097	0.4
217.15886	0.5
227.18005	0.3
229.15973	0.3
243.17598	0.4
245.19118	6.6
246.19406	0.3
247.17091	0.2
259.13309	0.2
261.18646	0.5
271.17068	1.7
272.17358	0.2
273.15030	0.8
287.16580	3.0
289.18143	100.0
290.18503	7.4
290.21097	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1814
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.81894	0.6
57.03329	2.5
59.01259	7.2
61.52053	0.7
65.03851	0.7
67.05405	1.5
68.71483	0.7
69.03323	0.8
69.37714	1.4
69.38035	5.7
71.04900	1.2
75.00771	0.7
79.96185	0.5
83.04926	1.5
93.03388	2.8
95.04932	0.8
97.02875	1.0
97.06508	0.9
106.04134	0.8
107.04950	1.0
109.02867	1.3
109.06495	11.2
111.08067	4.9
119.04902	0.5
121.06505	0.9
121.10191	1.5
123.04403	0.7
125.02349	0.8
135.08093	1.0
137.09627	1.9
149.09625	1.2
151.11208	0.8
163.11240	1.2
167.10713	1.8
175.11197	1.3
177.09203	0.9
177.12823	1.4
179.10730	1.9
191.14438	1.2
193.12332	2.5
195.13863	5.5
203.14561	0.7
245.08347	1.1
245.19151	6.4
252.25800	0.7
271.17105	4.2
289.07236	2.7
289.18161	100.0
290.18448	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	290.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40496	1.4
57.03324	1.6
59.01255	4.9
61.62132	1.3
61.98712	100.0
67.55841	1.4
71.01275	2.8
72.99185	1.8
75.50398	1.7
83.01313	1.6
83.46265	1.3
85.02830	15.5
86.03193	1.4
92.73464	1.4
96.95913	6.0
98.20557	3.0
160.05165	1.2
167.96272	1.5
173.39984	1.3
174.03085	1.7
191.01959	1.5
197.06085	2.8
197.73293	1.2
252.83693	1.3
283.13303	2.0
284.13779	1.8
290.07214	1.4
291.09164	2.5
291.19693	1.8
291.71790	1.3
309.15054	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	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	0.4
59.01570	0.2
62.22120	0.2
65.72757	0.2
67.45882	0.2
70.71797	0.7
71.01259	0.3
72.83849	0.2
80.02583	0.4
95.04910	0.3
97.06497	0.5
101.43635	0.2
103.51055	0.2
106.04168	0.3
106.95259	0.2
119.04920	0.3
125.13473	0.2
127.07507	0.2
127.11228	0.2
141.09134	0.3
148.08839	1.5
149.09583	0.3
150.10403	1.1
151.11269	0.5
160.57729	0.2
163.11209	0.8
165.12804	23.0
166.13139	0.8
166.95929	0.2
171.17633	0.2
175.11246	0.4
176.11995	0.4
177.12808	0.7
179.14377	0.3
191.14359	0.7
217.15955	0.5
223.13380	0.3
234.35831	0.2
245.19106	0.3
247.20721	10.8
248.20947	0.8
263.20398	0.2
273.18661	6.7
274.18964	0.5
291.19724	100.0
292.20068	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	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76479	0.3
56.03427	0.3
56.95204	0.3
57.03329	1.1
58.29258	0.3
59.01257	2.4
63.49109	0.3
69.48055	1.6
69.48488	1.2
71.04912	0.6
81.03339	0.3
83.04909	0.9
95.04916	1.1
97.06477	0.6
107.08591	0.4
109.06489	0.4
111.07291	0.6
111.08066	11.8
112.08399	0.7
113.09634	0.9
135.11758	0.5
137.09641	1.2
149.09631	0.7
149.47853	0.3
165.12842	0.5
167.10703	2.0
177.12796	1.9
179.10776	1.9
193.15933	0.4
195.13889	8.2
196.14096	0.4
203.14398	0.6
233.58264	0.4
247.20760	2.3
273.18741	1.5
291.19720	100.0
292.20068	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24734	0.3
53.01545	0.3
55.05287	0.3
57.03331	1.9
59.01256	0.8
61.15615	0.3
69.03348	0.3
70.60539	0.7
70.60934	0.8
93.06970	0.7
95.04891	0.4
97.06512	1.7
111.08071	2.3
121.10139	9.9
123.08063	1.2
125.09640	6.1
127.11158	0.5
141.12762	0.8
141.63863	0.3
147.08078	0.5
163.11258	0.4
165.12798	1.2
167.10674	0.5
177.12726	0.7
179.10793	0.5
185.11798	9.8
186.12115	0.3
195.13905	1.1
197.11749	2.2
209.11812	0.6
211.13400	1.2
223.13420	0.7
245.19115	0.4
247.13628	0.3
247.20709	2.8
263.20233	0.5
273.18661	3.6
274.68018	0.4
291.19717	100.0
292.20047	11.0
301.83893	0.3
307.65076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79937	0.7
57.03329	0.9
58.07121	0.8
59.01267	3.6
71.04903	0.7
71.34172	1.3
83.04906	1.0
111.08051	1.6
113.09615	0.7
119.04881	0.7
121.10142	1.8
125.09652	5.1
127.11205	3.0
151.11194	0.8
153.09154	0.9
153.12775	2.4
165.12766	1.3
178.72031	0.7
185.11806	2.0
193.16019	1.1
211.13315	0.9
229.19582	1.7
242.71196	0.9
247.20645	7.9
263.20187	18.6
273.18637	15.0
274.18881	1.9
291.19711	100.0
292.20062	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	291.1971
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.33725	0.4
53.60272	0.4
59.01262	1.0
71.24000	0.7
73.02833	47.4
74.03163	0.7
89.68687	0.4
92.94922	0.4
100.13960	0.5
111.08086	0.6
132.23889	0.4
141.48024	0.4
165.12746	1.1
185.11780	0.6
227.65636	0.4
291.19720	100.0
292.20044	8.6
293.04694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1972
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
51.46145	1.7
59.01254	2.3
70.58988	3.9
70.70921	1.3
71.01259	1.6
78.06168	1.4
97.06487	99.3
98.06823	2.4
149.13252	1.8
168.45265	1.3
183.13831	4.8
193.12303	31.7
194.12918	2.4
211.13370	92.9
212.13745	6.6
247.20647	1.3
263.20190	4.1
273.18607	5.9
291.19711	100.0
292.19955	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1973
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03337	10.2
58.04297	0.4
59.01262	3.9
64.40662	0.4
69.03344	0.5
71.01272	0.7
71.06725	1.0
72.99049	0.4
79.95629	0.3
83.04906	1.0
90.93202	0.4
94.68979	0.4
105.37801	0.3
109.06492	1.5
111.08058	0.7
121.02852	0.7
121.10114	1.0
123.08034	0.5
125.09650	7.3
128.83781	0.4
135.08112	0.5
148.45462	0.3
151.11215	1.8
153.09087	1.0
163.11263	2.2
165.09169	1.3
165.12820	2.3
179.14368	0.6
181.12276	2.0
185.11855	0.5
186.81882	0.3
235.32884	0.4
247.20694	4.1
273.18640	1.8
291.09296	1.9
291.19714	100.0
292.20032	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2337
Annotation	Grevillol
Peak:m/z	Relative Intensity
58.52979	0.9
59.01264	1.0
67.25753	0.8
71.01276	0.9
71.49875	1.5
76.58842	0.9
87.00755	0.8
159.15858	0.9
291.09204	14.9
291.19830	9.1
291.23337	100.0
292.09384	1.8
292.23795	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	293.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74995	0.6
55.01776	1.2
57.03331	1.6
58.00471	1.8
59.01264	41.5
60.42721	0.6
69.72935	0.6
70.06831	2.2
70.07249	1.0
71.01267	26.4
72.99200	2.8
73.02840	1.0
79.98086	0.7
83.01276	1.1
85.02843	12.2
85.06474	15.4
87.00800	1.1
89.02334	25.5
95.01285	2.1
100.00293	1.1
101.02345	17.9
113.01630	0.8
113.02363	8.6
113.05989	7.1
115.07553	1.6
119.03419	9.3
119.04844	0.8
120.27161	0.6
127.07526	2.2
131.07062	68.3
132.07368	2.0
145.02888	2.7
147.02907	2.6
148.06194	1.8
149.04515	0.8
153.41426	0.7
161.04486	1.3
173.08163	2.0
192.72003	0.7
194.16704	0.7
254.55447	0.6
272.27411	0.7
293.12482	100.0
293.21301	2.3
294.12860	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	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30837	0.6
55.01767	1.2
57.03342	1.2
58.00475	1.9
59.01265	43.8
61.88417	0.6
64.79217	0.5
66.54457	0.5
68.89372	0.6
70.87317	1.3
70.87653	1.2
71.01270	24.4
72.99197	2.4
73.02829	0.9
83.01276	2.0
85.02843	18.1
85.06485	17.1
85.06998	1.0
87.00748	0.9
89.02338	21.9
95.01273	1.9
99.00771	0.9
101.02345	18.7
113.02359	8.7
113.06003	4.7
115.06673	0.5
115.07527	2.7
117.03385	0.8
119.03423	8.8
127.07556	2.5
131.07065	72.6
132.07407	2.4
138.17979	0.6
143.03510	0.8
145.02911	5.4
147.02940	5.1
161.04475	0.9
173.08154	1.9
179.05539	1.0
189.01752	0.6
260.52570	0.6
293.12488	100.0
294.12851	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	293.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01262	14.7
60.01548	0.3
69.03326	0.4
71.01252	1.2
83.04910	0.5
89.02319	0.7
95.04917	0.5
97.72937	0.3
98.70880	0.3
101.02335	0.5
114.83813	0.3
116.30019	0.3
122.99179	0.5
135.02940	0.4
152.66922	0.3
165.12798	1.1
167.10773	0.6
167.14336	1.0
183.13867	8.2
184.14149	0.7
192.29794	0.4
193.12302	2.1
211.13373	100.0
212.11862	0.6
212.13699	5.2
229.18050	0.4
229.88783	0.3
233.11588	16.5
233.54295	0.3
234.11926	0.9
275.16605	2.3
275.19312	0.4
283.13437	0.4
293.08817	0.8
293.13809	7.7
293.17264	0.8
293.21024	2.1
294.14035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
71.01270	8.4
71.29536	0.3
71.29849	0.2
72.09485	0.2
93.20892	0.2
93.48592	0.2
97.13085	0.2
127.07555	0.9
148.05214	0.9
151.07571	0.5
162.19907	0.2
164.08420	1.4
177.09174	4.5
178.09538	0.3
186.37843	0.2
190.09956	0.4
192.11522	6.9
193.12018	0.6
205.12321	6.7
206.12672	0.3
207.13843	1.3
217.08643	0.3
218.09445	2.2
220.14684	49.1
221.15462	100.0
222.15804	4.8
235.13470	1.2
236.10553	71.4
237.10947	3.7
253.14301	0.3
293.17670	11.4
293.21054	1.3
294.18045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
57.97528	0.5
59.01265	0.9
64.37717	0.4
69.16982	0.5
71.48628	0.8
71.48965	0.4
93.50854	0.5
97.06488	0.8
123.08130	0.6
125.09628	3.4
141.12767	1.2
149.09633	1.5
171.10191	0.8
183.13873	2.0
185.11798	7.5
195.13887	1.3
197.11789	1.9
221.15295	0.9
223.13234	0.6
231.21196	0.6
246.03906	0.6
246.37854	0.6
249.22302	1.1
249.55914	0.6
275.20285	4.5
293.21286	100.0
294.21603	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78747	1.6
57.03329	1.8
59.01260	13.4
70.09855	3.0
70.10262	4.4
71.01263	4.6
75.16942	1.5
75.18758	1.3
84.13904	1.4
89.02320	2.6
97.44160	1.3
131.03366	1.8
136.08861	2.5
161.04550	2.1
161.46317	1.5
163.82741	1.4
165.12761	1.7
166.13110	3.8
167.13368	3.3
169.12273	1.5
177.49832	1.6
193.15913	3.5
197.11795	18.2
205.12399	2.1
212.90807	1.6
220.14684	5.2
221.15468	13.1
236.10492	8.9
249.18748	3.7
249.21458	4.0
275.20206	17.0
293.09198	3.0
293.14120	2.9
293.17520	7.6
293.20895	100.0
294.21515	5.3
307.21735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
57.03327	0.6
59.01255	2.7
60.23268	0.4
61.49971	0.4
69.03337	0.6
70.87270	1.4
71.01273	0.6
72.99180	0.5
83.04906	0.6
85.06497	0.4
96.95934	0.6
113.09622	1.5
121.10142	1.1
125.09576	0.7
139.11220	2.9
153.12790	1.7
171.10214	2.2
191.17996	2.8
195.13899	1.5
213.44846	0.5
220.14658	1.2
221.15482	1.6
223.13402	1.3
224.14229	0.8
236.10588	1.6
247.20641	2.0
256.13361	0.5
256.98911	0.6
275.20184	4.2
293.21295	100.0
294.21655	7.3
298.40393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24359	0.5
54.34341	0.5
57.03330	1.1
59.01274	3.3
69.03335	1.0
71.01285	0.8
71.04902	0.8
71.45182	0.9
81.88477	0.5
85.15603	0.5
123.08026	0.7
139.11194	0.5
147.13586	0.5
151.11201	1.7
153.09085	0.6
153.12793	0.8
169.12282	3.0
177.12851	0.6
192.11455	0.5
193.15959	0.7
197.11804	36.9
198.12122	1.4
214.63701	0.5
220.14667	0.8
221.15446	2.0
231.21170	1.5
236.10570	1.3
249.22372	0.6
275.20203	25.8
276.20584	2.0
293.21286	100.0
294.21646	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	293.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68037	0.9
53.30501	0.8
59.01256	4.2
70.56372	1.0
70.56728	3.4
81.01389	0.9
84.55551	1.0
106.66482	0.8
121.10149	39.6
122.10517	1.7
125.09615	1.8
127.11211	1.2
138.65932	0.9
141.12726	1.4
164.63536	0.9
171.10226	69.4
172.10548	1.5
183.13850	6.4
185.11789	3.5
197.11842	1.1
210.95647	0.9
211.13286	1.0
231.21220	6.7
275.20206	100.0
276.20557	8.8
293.21283	76.1
294.21625	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	293.2128
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
56.01215	0.5
56.42669	0.5
58.51951	0.5
59.01274	0.8
62.46039	0.5
62.97832	0.5
71.04929	0.5
71.16051	1.2
92.07075	0.6
100.78445	0.5
109.06460	0.4
128.71735	0.5
179.14394	1.2
195.13867	10.2
196.14459	0.6
205.12314	0.7
211.13480	0.6
223.13376	11.6
224.13844	1.2
228.13730	1.3
228.43416	0.5
231.20987	0.8
256.13245	4.8
275.20190	5.5
293.21289	100.0
294.21631	8.5
295.86020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50976	0.8
52.16393	0.9
57.03320	3.3
59.01254	2.3
69.53177	5.4
75.27642	0.8
88.01565	0.9
89.66582	0.8
94.06133	0.7
98.19789	1.2
99.93748	0.7
106.08421	0.7
113.09627	14.1
121.10143	9.6
125.09633	1.1
139.11150	1.3
152.10370	0.7
167.10699	0.7
171.10213	20.3
172.10590	1.1
179.10732	1.5
185.11826	1.4
195.13882	0.9
231.21106	1.2
241.12584	0.8
258.60342	0.8
275.20203	29.1
276.20511	1.6
293.21277	100.0
294.21606	10.7
294.95026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03334	5.1
59.01262	11.3
71.01271	2.2
71.58178	0.8
73.02819	0.7
77.46481	0.5
85.06476	0.6
88.15080	0.4
89.02357	0.8
97.06437	0.8
101.02353	0.5
109.06516	0.6
113.09637	17.2
121.10176	0.6
139.11198	1.8
149.00795	0.7
149.09688	1.3
156.32959	0.6
161.04460	0.6
167.10713	1.8
177.12834	0.8
179.10794	1.4
185.11792	1.6
188.54514	0.5
192.11510	0.9
195.13899	3.5
197.11815	0.7
205.12273	0.6
220.14674	4.0
221.15486	10.6
222.15820	1.2
233.10382	1.7
236.10553	8.1
249.22255	2.1
275.20215	1.2
293.08847	1.6
293.21289	100.0
294.21655	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89508	0.3
57.03330	1.9
58.39812	0.3
59.01262	7.6
67.73995	0.3
69.62272	1.8
69.62682	0.8
71.01279	0.8
72.99197	10.4
73.02843	0.6
75.00761	8.0
77.03836	0.4
79.93332	0.3
85.02830	0.4
85.99902	0.4
87.00779	0.4
89.02319	0.9
95.04937	0.9
96.95898	0.8
101.02330	0.8
103.06349	0.3
105.03352	1.5
115.03907	0.3
119.04934	5.0
123.04446	1.2
131.03412	0.9
132.02112	1.1
133.02887	22.1
133.04984	100.0
134.03668	0.9
134.05312	2.0
135.04439	6.9
149.04485	10.0
150.03183	0.5
151.03879	0.8
161.02383	19.5
162.02737	0.8
163.02695	0.6
163.03952	7.2
164.04175	0.5
177.01860	2.2
179.03474	5.9
193.05029	1.3
195.02885	0.6
235.11914	0.8
236.30267	0.3
251.71762	0.4
291.70044	0.4
295.08194	1.8
295.11423	0.4
295.22736	0.4
300.80225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75997	0.5
57.03338	1.4
59.01263	9.6
69.03333	2.8
69.90511	2.8
71.01267	5.7
73.02829	1.2
83.01280	0.7
85.02837	1.2
93.03362	0.7
98.20512	0.6
101.02348	5.5
105.03349	0.8
113.02357	1.1
117.03392	1.0
119.04942	93.9
120.05301	3.6
123.04385	0.6
131.03423	49.8
132.03752	0.6
133.02882	3.5
134.67899	0.5
145.02855	1.6
149.04497	26.8
163.03952	100.0
164.04288	3.4
177.01868	0.9
270.39728	0.5
295.08313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.3
59.01265	28.9
69.03326	3.0
71.01257	4.2
71.42680	2.1
72.99207	1.5
82.84389	1.1
83.01298	1.3
85.02837	4.3
86.24727	1.2
101.02335	3.0
109.04904	1.2
110.18114	1.1
113.02315	1.1
117.03364	2.4
119.04941	85.7
120.05264	3.1
122.35373	1.3
131.03416	45.8
133.02803	1.6
145.02907	4.9
149.04492	100.0
150.04800	2.1
163.03947	100.0
164.04274	4.1
164.05666	1.4
209.55577	1.3
253.85883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53857	1.2
55.79960	1.4
56.31315	1.2
57.03335	2.2
59.01260	24.2
69.03331	1.8
69.48355	11.8
70.76273	1.4
71.01257	3.7
72.99197	1.3
73.02824	8.3
74.72827	1.2
80.15282	1.3
83.01260	1.8
85.02834	2.9
95.01278	1.9
98.20534	2.6
101.02347	8.6
119.04939	94.0
120.05225	3.7
123.65899	1.3
124.60557	1.4
131.03418	45.5
133.02840	2.4
133.04926	2.1
135.04442	1.5
145.02881	4.0
149.04486	92.1
150.04868	1.8
163.03951	100.0
164.04323	4.8
168.40712	1.5
172.34386	1.4
245.06493	1.3
295.08160	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.6
57.03319	0.9
58.00466	1.3
59.01262	46.0
70.33608	1.7
71.01269	25.2
72.01611	0.7
72.99193	1.6
73.02828	0.8
73.08887	0.6
75.00761	1.3
76.01276	0.6
83.01295	1.4
85.02849	5.2
87.00766	0.7
89.02336	33.3
95.01290	1.3
98.20499	0.6
101.01701	1.3
101.02339	17.0
113.01614	1.1
113.02354	10.8
115.03934	0.8
119.03414	16.2
131.03433	1.0
133.04982	1.3
143.03429	1.5
149.04430	0.8
161.04489	1.1
179.05571	2.3
237.06163	1.2
295.10391	100.0
296.10730	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	295.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.6
57.03319	0.9
58.00466	1.3
59.01262	46.0
70.33608	1.7
71.01269	25.2
72.01611	0.7
72.99193	1.6
73.02828	0.8
73.08887	0.6
75.00761	1.3
76.01276	0.6
83.01295	1.4
85.02849	5.2
87.00766	0.7
89.02336	33.3
95.01290	1.3
98.20499	0.6
101.01701	1.3
101.02339	17.0
113.01614	1.1
113.02354	10.8
115.03934	0.8
119.03414	16.2
131.03433	1.0
133.04982	1.3
143.03429	1.5
149.04430	0.8
161.04489	1.1
179.05571	2.3
237.06163	1.2
295.10391	100.0
296.10730	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	295.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03323	0.9
58.00475	2.3
59.01262	50.9
61.15228	0.4
70.05694	2.0
71.01266	30.0
72.99184	3.1
73.02820	1.2
75.00757	1.7
83.01275	1.6
85.02841	6.4
87.00768	1.6
87.04458	0.4
87.59480	0.4
89.02333	37.9
90.02647	0.6
95.01268	2.6
99.00755	0.6
101.02345	20.2
102.02675	0.6
103.00258	0.5
113.02346	12.7
113.77162	0.4
115.03913	1.6
119.03416	18.1
125.60780	0.4
130.34146	0.4
131.03413	1.5
133.01372	0.4
133.02837	0.4
133.04962	1.4
143.03427	1.7
149.04509	1.4
161.04485	2.3
163.03943	0.9
179.05554	2.7
186.17151	0.5
211.37674	0.4
230.65680	0.4
235.08214	0.6
237.06161	0.7
295.10388	100.0
296.10733	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	295.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94624	0.9
54.74677	0.7
55.01752	1.1
57.03328	1.7
58.00468	3.3
58.00736	0.8
59.01263	74.2
62.32444	0.9
64.50169	0.8
70.03613	1.7
70.04017	2.8
71.01270	39.3
72.99191	3.4
73.02844	1.8
83.01269	1.7
85.02841	6.8
87.00776	1.6
89.02337	40.1
95.01302	2.4
101.02345	23.6
103.76632	0.9
113.01625	1.3
113.02363	16.8
115.03913	1.5
119.03414	19.2
131.03418	1.0
133.02879	1.7
133.04987	2.0
143.03413	2.0
149.04420	1.2
161.04465	4.3
163.03944	1.2
173.47141	0.8
177.01886	1.2
179.05580	2.4
193.87769	0.8
207.26454	0.9
235.08360	2.3
295.10397	100.0
296.10794	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
71.01288	8.1
71.57150	7.1
71.57515	4.6
89.02345	6.2
93.08364	4.8
133.02879	20.5
136.66420	4.7
141.66823	5.0
160.92529	4.3
177.01906	8.1
179.03357	6.0
209.11798	70.8
227.12889	41.5
295.06027	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	295.192
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
58.74553	0.7
59.01261	26.5
60.35342	0.7
62.63285	0.7
66.01355	0.8
67.93738	0.6
71.01257	2.4
71.50037	1.4
73.01663	0.7
73.16019	0.7
80.67163	0.7
83.04910	2.9
85.02835	1.0
89.02334	0.9
97.06536	0.9
99.08052	3.0
101.02370	1.2
101.05959	1.7
111.04430	1.3
111.07992	0.9
113.02299	1.0
125.09669	0.9
127.07572	1.9
133.02875	1.4
137.09642	0.9
137.57520	0.7
139.11137	0.9
142.72836	0.8
151.11209	2.7
165.12898	1.7
167.10756	0.8
167.14314	2.2
179.14433	0.8
181.12314	5.1
183.13847	1.1
193.12325	1.6
195.13814	1.8
211.13342	3.7
217.16115	0.8
221.11938	0.7
221.15489	2.2
233.19034	4.2
235.08054	1.9
239.12692	0.9
240.13669	2.0
251.20198	1.3
259.17050	3.0
260.43671	0.9
267.19736	1.8
277.18143	46.8
278.18445	2.7
295.19193	100.0
296.19540	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2283
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01264	15.9
63.89487	0.5
65.88238	0.5
71.01258	1.8
77.99072	0.5
89.02316	0.6
98.20557	1.8
101.02295	0.8
113.09630	0.9
122.72797	0.7
166.32109	0.6
177.12801	1.0
179.14325	0.6
195.13882	30.2
196.14183	1.1
214.98628	0.5
220.85609	0.6
225.14931	2.7
230.69238	0.6
233.22795	1.2
235.08257	1.3
259.20618	0.8
277.21768	32.1
278.22125	2.4
295.22852	100.0
296.23154	6.8
310.79797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2283
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03338	1.0
59.01262	3.8
70.92088	0.5
71.01257	0.4
89.02394	0.2
97.06467	0.4
99.08074	0.2
101.02296	0.2
109.04823	0.2
113.09627	2.4
125.09566	0.2
146.13464	0.2
161.04437	0.3
169.12332	0.3
171.10176	1.0
177.12791	0.7
179.14374	1.2
181.12221	0.5
195.13875	17.7
196.14177	0.7
216.69424	0.2
233.22733	0.3
235.08299	0.3
251.23837	0.3
277.18600	0.6
277.21768	17.4
278.22128	1.2
295.22824	100.0
296.19769	0.3
296.23175	6.5
317.08356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.43890	0.4
51.18661	0.4
56.82557	0.5
57.03325	1.5
59.01261	5.9
69.03315	0.6
69.33591	5.5
71.01247	0.9
77.32861	0.5
92.16653	0.5
98.20579	1.0
121.10169	0.5
123.76268	0.5
127.11135	0.6
134.59622	0.5
137.09608	0.9
137.23679	0.5
151.44913	0.5
155.14308	2.5
161.04642	0.6
171.10219	27.5
172.10434	0.8
179.14336	0.6
181.16115	0.6
183.10185	1.1
195.13889	1.3
235.08199	0.6
251.23740	1.0
277.21768	31.8
278.22067	2.0
295.22833	100.0
296.23190	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	297.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15014	0.3
59.01265	5.8
70.84736	1.2
71.01257	1.8
72.99200	3.6
75.00764	33.5
76.01086	0.4
87.00794	0.5
89.02341	5.6
91.36725	0.4
96.95866	0.5
99.00774	0.4
115.00278	0.5
117.01848	2.0
121.02837	0.4
133.02859	1.5
134.03674	0.8
135.02921	100.0
135.04405	11.9
136.03308	1.8
136.04773	0.7
137.43161	0.4
153.32005	0.4
161.02386	3.9
174.58905	0.4
179.03458	6.3
179.35539	0.4
180.03828	0.5
205.33333	0.4
237.09822	0.5
243.06404	0.4
297.06229	1.1
297.24384	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	297.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67719	0.3
59.01262	3.6
62.44903	0.3
67.44360	0.2
71.01261	1.7
71.13584	0.6
72.99196	3.7
75.00762	35.7
76.01095	0.3
86.40960	0.3
87.00775	0.5
88.16341	0.2
89.02333	4.7
117.01842	2.1
126.10987	0.3
133.02901	1.9
134.03696	0.6
135.02917	100.0
135.04364	5.1
136.03278	2.0
161.02386	3.2
179.03456	3.9
234.25597	0.2
249.88162	0.3
297.06201	1.5
314.66626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00951	0.4
59.01264	7.0
69.31481	1.9
69.31905	1.5
71.01272	2.6
72.99193	4.0
73.02844	0.4
75.00763	40.2
78.62655	0.4
87.00760	0.7
89.02341	7.0
117.01846	2.4
131.65677	0.4
133.02853	1.8
135.02921	100.0
135.04381	5.9
136.03284	1.3
161.02432	3.6
179.03453	3.4
233.63834	0.4
237.09766	0.5
240.18423	0.4
297.11569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21179	0.3
59.01268	3.3
66.45232	0.3
69.81977	1.8
71.01260	1.0
72.99199	2.0
75.00760	27.6
87.00732	0.4
89.02338	4.1
98.19801	0.6
117.01852	2.1
133.02895	0.7
134.03647	0.7
134.43739	0.4
135.02919	100.0
135.04399	10.2
136.03252	1.5
145.65132	0.4
161.02367	4.0
179.03462	4.7
181.55159	0.4
189.37022	0.3
204.25043	0.4
297.06332	1.3
297.24017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57715	0.6
53.46334	0.6
59.01254	4.5
61.99164	0.6
62.86941	0.6
67.85216	0.7
69.64971	4.1
71.01263	1.3
72.99209	3.0
75.00761	35.8
87.13316	0.6
89.02322	5.5
92.56887	0.6
98.20560	1.2
117.01868	2.0
117.74949	0.6
133.02878	1.5
134.03641	1.2
135.02916	100.0
135.04414	18.1
135.28421	0.6
136.03217	1.5
136.04770	0.9
142.98593	0.6
147.04498	0.8
161.02391	4.5
179.03441	5.0
194.68365	0.6
284.32944	0.7
297.06128	1.1
297.24448	1.3
306.21207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57403	0.3
50.67374	0.4
53.58035	0.3
57.58007	0.4
59.01264	6.6
59.76594	0.3
67.24854	0.3
71.01271	2.2
71.26324	0.3
71.51259	0.3
71.51585	0.5
72.99198	3.3
74.56135	0.3
75.00762	25.3
85.99992	0.7
87.00764	0.8
89.02333	4.8
91.05416	0.4
93.03371	0.4
96.95921	1.1
101.02345	0.8
103.00290	0.5
106.04171	0.5
107.04939	2.7
108.02077	0.7
109.02900	0.7
117.01853	1.1
119.04919	0.4
121.02861	0.6
133.02870	1.7
134.03662	1.3
135.02921	100.0
135.04414	15.2
136.03278	1.5
136.04736	0.4
145.02896	0.4
161.02383	3.7
162.03084	0.5
179.03458	21.9
180.03789	0.7
237.09818	0.6
268.07663	0.4
297.06226	4.0
297.09845	3.0
297.13458	1.3
297.24457	4.5
297.27823	0.7
319.31174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1197
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01773	0.7
56.24057	0.3
57.03340	1.5
58.00465	2.3
59.01265	100.0
60.01608	1.2
63.08270	0.4
70.85854	1.0
71.01270	33.6
72.99200	4.6
73.02834	5.1
75.00764	11.8
81.03372	0.3
83.01273	2.6
85.02841	9.4
87.00773	2.0
89.02338	35.8
95.01296	1.9
97.02869	0.4
99.00795	1.6
99.04366	0.3
101.02348	22.6
102.02726	0.4
103.03918	0.6
106.30102	0.4
113.02359	13.6
117.01868	0.8
117.05486	0.6
117.71496	0.3
119.03416	14.3
124.20952	0.3
124.53277	0.3
125.02364	0.9
131.03416	1.1
135.02924	40.7
135.04375	2.8
135.06555	12.8
136.03264	1.6
143.03412	3.6
149.04488	1.1
156.66525	0.4
159.02953	1.4
161.02539	1.9
161.04495	14.8
171.40784	0.4
179.03506	1.4
179.05574	10.4
180.03712	0.4
192.36571	0.3
205.03502	1.0
237.09822	18.0
295.61325	0.4
297.11972	31.1
297.24475	3.5
297.27698	0.7
298.12326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2441
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01263	5.2
60.29926	0.2
71.01270	1.0
71.29435	0.5
75.00755	0.5
85.02817	0.4
89.02343	0.9
94.38931	0.2
101.02346	0.7
103.87071	0.3
104.74126	0.3
113.02345	0.4
117.03395	0.3
119.03440	0.3
121.02899	0.3
135.02939	0.9
135.06596	0.3
136.72641	0.2
145.02866	0.5
161.04500	0.3
183.01196	1.9
237.09801	0.5
251.23883	1.1
264.22125	0.3
279.23404	1.3
279.91278	0.3
295.22858	0.7
297.15366	5.0
297.24414	100.0
298.24765	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	297.2441
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.00959	0.5
59.01259	7.3
67.34700	0.3
70.32304	1.7
71.01267	1.4
74.21051	0.4
89.02318	1.5
91.58473	0.4
98.20515	0.8
101.02339	1.7
113.02304	0.5
119.03455	0.5
119.05029	0.3
135.02954	1.8
135.04446	0.5
137.09610	0.5
139.11256	0.6
141.12769	1.4
145.02856	0.9
155.10719	13.9
161.04497	0.7
183.01169	2.3
209.53207	0.3
219.47952	0.4
237.09743	0.9
279.23337	13.4
280.23819	0.7
295.22800	0.9
297.11938	1.8
297.15253	5.0
297.24393	100.0
298.24750	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	299.0203
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02280	3.3
65.00208	2.2
71.32629	0.9
83.01278	1.0
89.00223	0.6
91.01763	0.6
107.01283	2.0
108.02081	0.9
109.02865	2.6
117.03374	2.2
120.99644	0.7
121.02896	0.7
133.02879	6.4
135.00764	1.3
143.04941	2.0
145.02879	9.3
147.00842	0.6
147.04408	0.6
151.00307	1.9
155.04919	1.0
157.02875	1.8
159.04517	0.7
163.03920	0.6
169.01251	0.5
169.02798	0.6
171.04500	4.6
173.02371	1.0
175.03966	3.0
183.04494	0.9
185.02338	0.9
187.03952	3.1
189.05524	0.7
197.02429	1.1
198.03186	1.2
199.03992	12.4
200.04276	0.8
201.01877	3.9
203.03548	1.1
213.01869	0.7
213.50500	0.6
214.02715	0.9
215.03471	4.4
226.02722	2.2
227.03505	5.6
242.02220	1.8
243.03015	6.0
244.86977	0.7
255.02982	6.6
271.02530	61.6
272.02872	3.4
299.02023	100.0
299.16559	15.3
300.02673	20.9
300.16940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17963	0.4
60.54102	0.4
63.02284	4.7
65.00206	2.8
83.01268	1.2
89.00218	0.5
107.01261	4.1
108.02009	0.5
109.02863	5.4
114.77615	0.4
115.05424	0.8
117.03360	1.6
127.05505	0.5
129.03363	0.5
131.05006	0.7
133.02864	9.4
135.00804	1.8
143.04965	2.8
145.02892	6.8
147.00829	0.6
147.04500	0.5
148.01572	0.9
148.90497	0.4
149.02359	0.7
151.00330	3.6
155.04947	1.3
157.02892	2.2
159.04488	1.2
161.06107	0.7
163.03951	0.9
164.01096	0.5
169.01414	0.7
169.02956	0.6
170.03687	0.5
171.04474	8.2
173.02380	2.0
175.03949	5.1
176.55641	0.4
182.03642	1.3
183.04449	1.3
185.02365	0.6
187.03979	3.8
189.01923	0.8
189.05641	0.6
197.02451	2.2
198.03185	2.6
199.03975	16.2
200.04271	1.3
201.01883	6.2
203.03482	1.7
211.03850	0.5
213.01984	1.4
214.02719	1.2
215.03465	7.3
216.03738	0.6
225.01923	0.9
226.02748	4.3
227.03479	8.5
241.01486	0.6
242.02188	2.6
243.03033	10.8
249.78543	0.5
255.03023	5.2
271.02518	100.0
272.02875	6.5
282.01608	1.2
299.02014	86.1
299.16586	12.7
300.02652	17.6
300.16943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.078
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.11237	0.4
59.01255	1.6
65.03863	0.4
65.26413	0.3
71.01267	2.5
71.20148	0.6
72.99207	0.5
73.02823	0.6
75.00773	0.4
85.02843	0.9
93.03356	67.9
94.03684	1.9
101.02351	0.7
113.02365	0.7
117.03364	7.1
117.04175	0.5
119.04945	1.8
121.02834	1.8
123.03180	0.6
123.04440	0.8
131.67828	0.5
133.02879	0.6
135.02884	0.5
137.02370	100.0
138.02727	3.0
138.05557	6.6
145.02881	33.1
146.03253	0.8
162.03146	0.5
163.03915	0.9
175.15700	0.4
299.16574	61.2
300.11148	0.4
300.16885	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	300.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00226	0.5
58.00483	0.3
59.01261	2.4
65.04501	0.2
67.07218	0.2
68.01299	3.2
70.49195	0.7
71.01269	0.8
71.80584	0.2
72.99209	0.4
85.02859	0.3
87.00784	0.3
89.02326	0.5
94.06534	0.2
95.04948	0.4
96.04451	0.4
97.06493	0.3
98.20476	0.2
106.64835	0.2
110.05997	0.4
113.02322	0.2
117.03344	0.3
122.02396	0.9
122.06046	0.4
123.03173	6.8
124.03927	0.3
124.07594	0.9
136.07597	0.3
137.04712	1.0
138.05531	100.0
139.03908	0.2
139.05878	2.6
145.02850	1.5
146.03242	1.0
152.03450	0.3
152.07104	1.8
166.08717	0.6
167.05823	2.1
168.06619	0.8
180.06625	5.6
181.07007	0.3
210.07715	0.8
218.40173	0.2
240.08823	0.3
258.99500	0.2
273.22263	0.2
281.12946	0.2
300.10947	18.7
300.16641	5.0
301.03708	0.7
301.11227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
59.23320	0.2
63.02279	5.6
65.00207	11.1
69.03339	1.7
70.58569	0.4
70.58941	0.5
72.99198	0.2
75.00761	0.2
83.01270	6.7
89.41843	0.2
91.01830	0.2
93.03347	3.5
95.01294	0.5
97.02859	0.4
99.00780	0.5
107.01289	16.7
108.01551	0.3
108.57339	0.3
108.99240	0.3
109.02864	3.2
117.12725	0.2
119.01256	0.4
119.04896	0.2
121.02865	15.0
123.00819	0.6
123.01883	0.2
124.01614	0.6
125.02348	1.1
135.00829	0.4
137.02473	0.2
138.03131	0.3
139.03906	1.8
143.04947	0.3
145.02913	0.5
146.03244	0.2
147.04468	0.5
148.01591	0.5
149.02397	2.8
151.00302	49.4
152.00597	1.7
157.06517	0.3
159.04514	1.2
161.02391	0.9
162.03082	0.3
163.00290	2.2
163.03925	0.5
164.01056	1.2
165.01797	0.4
167.04927	0.3
169.01381	4.6
170.01692	0.3
171.04442	0.3
173.05991	0.5
174.03242	0.5
174.04774	0.2
175.03961	0.8
178.99818	19.1
179.32185	0.3
180.00159	0.6
183.04504	0.6
183.10223	1.6
185.00883	0.9
185.06033	0.4
187.03935	1.0
192.00613	0.6
193.01457	1.3
199.03874	0.4
200.04468	0.3
201.05560	1.1
203.03522	0.7
205.05064	0.5
209.11841	0.2
211.03995	1.2
212.04430	0.4
213.01955	0.3
215.03436	0.4
216.03908	0.3
227.03383	1.5
227.12904	0.5
228.04036	0.6
229.05014	1.6
231.25977	0.2
239.03473	0.5
240.04355	0.4
243.02966	0.9
244.03336	1.1
245.04555	2.5
255.03009	2.5
255.06667	0.5
256.03473	2.6
257.04553	1.0
257.09402	0.3
266.02203	0.3
268.07529	0.3
271.02536	0.5
271.09692	0.3
272.02866	4.7
273.04102	3.2
283.02515	0.9
284.03342	0.4
286.08521	0.3
299.01974	0.4
300.02634	0.4
300.16898	0.5
301.03546	100.0
301.16904	1.0
302.03891	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	301.036
Annotation	Quercetin
Peak:m/z	Relative Intensity
56.11955	0.3
63.02281	6.5
65.00207	12.5
70.72718	0.7
73.59388	0.3
83.01278	7.7
83.01773	0.4
93.03352	3.7
95.01259	0.4
106.06500	0.4
107.01290	21.1
108.01582	0.3
108.04447	0.6
108.99215	0.3
109.02867	2.0
118.42161	0.3
121.02867	18.4
122.03199	0.5
124.01591	0.6
124.07610	0.5
125.02367	0.8
135.04459	0.5
136.07599	1.7
137.02393	0.6
139.03934	1.8
145.02885	0.3
148.01546	0.4
149.02362	2.8
151.00302	61.1
152.00627	1.8
159.04456	0.9
161.02412	1.0
163.00282	1.3
163.03925	1.0
164.01085	1.0
165.01816	0.5
169.01384	3.3
171.04459	0.5
173.06027	0.4
175.03941	0.5
178.99818	20.9
180.00124	0.6
183.36165	0.3
185.06013	0.6
187.03995	0.9
192.00557	0.4
193.01414	1.2
199.03897	0.3
201.05565	0.7
203.03464	0.6
205.05113	0.6
211.03940	1.0
211.13466	0.3
227.03471	0.8
229.05130	1.7
231.02945	0.4
239.03561	0.4
243.02979	0.6
245.04599	1.2
255.03021	1.0
257.04489	0.6
257.12994	4.5
271.02707	0.4
273.04059	3.2
274.86996	0.3
299.01868	0.5
301.03583	100.0
302.03943	6.5
305.18091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79863	0.7
56.57589	0.7
59.01268	3.3
63.02279	6.4
65.00208	13.1
71.55965	1.3
81.03374	1.1
83.01281	8.1
83.04916	1.0
93.03355	88.1
94.03696	1.3
95.01269	3.4
96.90190	0.6
104.50449	0.6
107.01295	19.6
107.04929	19.7
107.91994	0.7
108.02134	1.1
108.05265	0.9
109.02857	3.7
110.25906	0.6
111.00780	3.1
117.03352	3.0
121.02877	9.1
123.00812	1.8
124.01579	3.0
125.02387	5.1
133.99992	0.7
135.00816	1.7
135.04422	3.4
137.02374	1.4
139.00308	1.1
139.03934	0.8
143.04936	1.1
145.02879	2.3
146.03316	0.9
149.02388	6.0
151.00311	51.5
152.01122	9.6
152.03841	0.6
153.01872	2.3
153.03172	0.6
155.04939	0.8
157.06503	1.7
159.04443	2.7
161.02402	2.7
161.20813	0.6
163.00336	6.8
164.01099	1.1
169.01367	5.4
171.04420	1.2
173.05927	2.1
177.05527	1.0
178.99826	19.3
180.00061	0.9
181.00293	0.8
183.04517	2.5
185.06064	2.1
185.09697	1.2
187.03966	2.5
191.03464	1.7
193.01413	1.0
195.08134	12.4
196.08604	0.8
197.06195	1.5
199.04166	0.7
200.04474	0.7
201.05573	4.8
206.99326	8.0
208.00092	5.1
209.11819	11.2
211.04060	2.5
211.07634	6.9
212.08304	1.1
213.09206	85.5
214.09583	3.8
215.03438	2.7
227.03468	2.6
227.12959	2.0
229.05115	4.2
239.03491	1.1
239.07147	2.1
244.03230	1.3
244.07368	1.5
245.04553	23.9
246.04950	1.6
255.02988	8.1
256.03470	1.8
257.04672	6.7
257.08194	7.2
271.06128	0.7
272.02893	2.3
273.04102	34.4
274.04468	2.3
283.02502	4.4
284.03354	1.2
300.16763	1.2
301.03549	100.0
301.07196	36.4
301.17035	2.5
302.03931	5.4
302.07379	1.3
302.19354	0.8
308.91208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1668
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97396	0.6
71.57596	0.2
74.98985	0.6
93.00026	0.3
93.66188	0.2
118.96206	0.5
121.02827	0.2
134.99330	5.3
135.99318	0.2
136.97260	1.9
141.07307	0.4
143.05293	0.3
147.19290	0.2
150.98836	0.5
151.00304	0.5
159.08443	1.3
161.06343	6.4
162.06712	0.2
185.80406	0.1
201.04057	0.6
203.05647	3.2
204.05634	0.2
205.03549	0.9
215.05701	0.9
217.07210	82.5
218.07338	4.7
235.08327	0.5
253.22421	0.2
261.06247	0.6
283.12128	0.4
283.15466	0.3
285.13535	36.2
286.13693	3.0
290.47195	0.2
301.16666	100.0
302.03860	0.1
302.16867	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	303.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	3.6
69.03342	21.6
71.56261	0.9
78.99429	0.8
79.01776	1.5
93.03359	1.5
95.01273	1.4
95.62933	0.7
97.02849	42.2
100.91888	0.9
107.04922	1.4
109.02859	20.3
109.03608	1.0
110.03181	0.8
115.51903	0.7
117.03404	0.9
121.02866	2.7
123.00805	2.2
124.01590	1.9
133.02888	14.8
134.03671	15.2
135.04446	100.0
136.04790	3.6
137.02371	7.3
139.03940	1.5
141.01892	4.4
145.02884	3.1
146.03630	1.8
147.04469	2.2
148.71956	0.7
159.04428	0.9
161.02385	38.0
161.96230	0.7
162.02730	1.5
163.03986	3.8
167.04997	0.8
169.06522	1.6
172.05260	3.4
173.05888	1.9
178.02629	4.7
179.03459	37.3
180.03856	1.1
181.64899	0.8
185.06058	3.3
187.07677	2.6
195.04504	1.3
200.04720	1.4
213.05600	2.4
215.07138	41.4
216.07565	2.3
223.60127	0.8
231.06734	1.3
241.05070	2.5
259.06152	30.4
260.06564	1.7
303.05124	10.9
303.08252	1.2
303.23685	0.8
304.05359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0517
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03047	0.8
57.03334	16.0
57.88863	0.4
59.01262	5.7
63.02288	1.0
65.00198	3.3
69.03352	0.5
69.67197	1.2
69.67616	1.9
71.01279	1.1
73.02833	8.7
81.03344	0.7
83.01266	7.2
85.02854	0.4
88.03931	3.1
93.03362	1.4
95.01282	0.9
96.95930	0.8
97.02848	0.7
107.01286	3.3
108.02068	1.2
109.02870	3.9
111.00785	1.1
115.00287	1.6
119.04964	0.8
121.02857	2.2
122.03722	0.8
123.00791	0.6
123.04422	7.1
124.01613	2.1
125.02362	100.0
126.02681	2.8
129.56136	0.4
132.02977	0.7
133.02881	0.8
135.04439	1.5
137.02393	3.5
139.03958	2.4
141.01898	0.7
142.06577	0.6
143.04955	0.7
145.02812	0.5
146.03656	0.8
147.04472	2.3
149.02377	5.4
150.03169	6.6
151.00305	8.6
151.03934	9.6
152.01111	4.3
153.01878	9.2
159.04478	0.8
161.02350	1.7
161.06042	1.2
163.00340	0.6
163.69020	0.4
164.04622	0.5
165.05527	0.8
169.01346	1.0
171.04410	1.1
172.05157	0.5
173.02376	0.5
173.06033	1.2
174.03104	3.9
175.03944	16.4
176.01077	1.0
176.56306	0.4
177.01891	17.3
178.02332	0.8
178.99803	8.7
179.03407	0.6
180.00069	0.4
181.01344	2.1
185.06055	0.6
187.03978	0.7
187.08733	1.7
188.04771	1.8
188.07137	1.0
189.05540	4.6
191.03497	0.9
191.07236	0.5
193.05058	2.9
198.03229	0.5
199.03975	7.8
199.13382	8.1
200.04330	0.8
201.01898	2.7
201.90683	0.5
203.06949	0.5
213.05559	2.2
215.03508	1.0
215.07161	0.7
216.04248	1.5
217.05064	10.3
218.05405	0.6
230.05673	0.5
231.06599	1.5
235.06117	0.5
240.04131	0.6
241.05084	5.8
241.09656	0.4
243.02968	1.4
243.12373	2.4
257.04596	1.5
259.06158	4.6
275.05646	5.7
285.04092	63.1
286.04440	4.8
303.05200	9.5
303.09732	3.9
303.14706	0.8
304.05432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	62.5
71.01261	6.3
71.57359	4.8
71.57815	6.8
80.71848	3.9
95.97326	5.0
97.02874	3.9
108.04459	15.6
122.06038	35.1
124.07599	44.4
135.04469	5.9
136.07588	49.4
137.09604	9.2
142.99802	12.5
155.10719	100.0
155.28021	3.9
156.11131	4.6
168.06592	61.5
171.10164	24.0
180.06668	5.5
186.36508	5.3
199.09721	32.5
217.10793	84.7
243.11359	6.9
259.06216	4.8
259.11963	24.2
259.14343	6.7
303.04498	5.3
303.13483	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	304.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86580	0.3
57.52381	0.3
58.02859	43.3
74.09943	0.2
103.16296	0.2
125.02203	0.3
129.67831	0.3
168.13892	100.0
169.14252	4.3
200.62605	0.3
212.12915	4.2
212.17105	0.2
229.77188	0.3
243.57271	0.2
261.49109	0.3
304.19202	1.5
305.17307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71802	0.9
57.03129	0.9
57.03336	9.9
59.01262	5.2
65.17108	1.0
69.03336	1.6
71.01249	4.3
71.52596	1.2
81.03353	4.2
83.01276	4.4
85.02829	1.5
86.66981	0.9
89.02333	1.7
93.03343	3.3
95.01276	3.2
95.04922	3.8
97.02869	5.1
99.00803	1.4
101.02347	3.1
109.02861	20.5
111.00764	2.1
111.04433	3.7
113.05977	1.2
119.04955	1.5
121.02854	6.1
123.00801	8.3
123.04427	2.7
124.01573	4.3
125.02366	100.0
126.02741	2.1
135.04419	1.8
137.02376	30.5
137.06009	1.3
138.03023	1.4
139.00363	1.3
139.03946	24.9
147.04460	1.1
149.02348	2.0
149.05981	2.8
151.03960	2.0
153.33119	1.2
159.04488	1.2
161.02394	3.1
162.03087	1.9
163.03978	2.2
164.01125	6.2
165.01877	19.1
166.02559	2.3
167.03453	22.4
175.03934	2.8
176.04678	1.5
177.01826	1.6
177.05521	4.5
179.03467	22.7
179.05017	0.7
181.05035	1.1
191.07161	2.5
201.05560	1.6
203.03462	4.3
204.04268	1.7
208.49205	1.0
215.07048	1.7
219.06625	14.6
221.04573	7.7
237.07530	1.2
237.37263	1.1
241.92621	1.0
243.06630	1.9
261.07672	8.8
271.19516	1.1
287.05646	1.5
305.06729	99.6
305.12399	2.5
306.07108	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	305.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42941	1.4
54.81869	1.5
59.01048	1.3
59.01268	16.1
61.98731	1.4
69.89289	8.6
71.01265	1.6
81.03341	2.4
83.04935	3.2
93.03343	4.3
95.01300	1.7
95.04930	5.0
97.05936	1.3
97.06475	6.8
107.04932	3.9
109.02842	6.2
109.06462	3.4
111.00802	2.1
119.04950	1.7
121.02863	2.1
121.06529	2.5
123.00768	2.9
123.04402	2.8
123.08099	3.5
125.02375	3.0
125.05998	12.8
127.07590	8.1
133.10197	2.4
135.04402	1.6
135.08099	2.7
137.09586	1.7
138.06747	3.2
139.07590	1.6
141.01613	4.0
147.08084	2.5
149.09633	4.5
151.11221	4.6
161.09564	1.9
164.08383	2.5
167.10770	3.0
175.11284	2.3
177.09175	3.5
177.12785	2.0
179.10745	2.2
189.12791	7.9
193.12247	1.9
195.13879	23.8
209.60591	1.5
223.13364	2.8
226.78929	1.4
231.13908	3.1
243.17545	39.9
244.17879	3.5
250.12140	12.5
259.17050	5.7
261.18460	9.4
265.10803	3.5
269.15555	2.3
277.17877	1.5
287.16595	51.0
288.16885	4.2
288.19763	1.9
288.26733	1.7
305.17648	100.0
306.17911	5.4
306.20859	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	305.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.9
59.01250	6.5
65.03842	3.4
66.17939	0.8
69.03323	1.2
70.85857	1.9
70.86187	1.1
71.04897	8.8
74.56001	0.8
79.05415	12.9
80.02545	0.9
81.03364	0.9
83.04908	1.7
93.03364	1.8
93.06982	0.9
95.04912	3.2
97.06493	17.7
106.04134	7.0
107.04921	2.8
109.06491	3.3
116.02201	0.8
117.07032	1.4
119.04943	1.3
120.02317	1.0
120.05745	6.0
120.06486	1.0
120.56541	1.1
121.06510	4.3
123.08080	7.3
125.05988	1.0
125.09632	20.3
133.06534	1.8
135.08080	100.0
136.08379	4.6
137.09644	2.7
151.11172	2.4
162.06877	1.2
163.11249	1.9
171.10191	1.1
176.08438	1.1
177.12807	1.0
183.10265	2.0
185.11772	1.9
189.12811	2.2
205.15930	6.9
207.10255	2.4
209.11769	6.1
221.11847	1.8
231.13841	2.3
233.11871	1.7
235.13368	1.3
243.17543	1.8
249.14977	53.3
250.15311	3.4
261.18732	1.4
263.16522	3.5
269.15512	1.3
277.18149	3.8
287.16562	13.5
288.16718	1.3
293.98489	0.8
305.17624	93.7
306.17935	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.9
59.01268	4.0
69.03352	1.3
69.34259	2.6
69.34693	2.4
71.04906	24.6
71.82215	0.5
80.02596	0.8
81.03320	2.4
83.04924	1.8
84.89524	0.6
93.03366	1.9
94.04152	0.7
95.04924	12.7
97.02843	0.9
97.06489	2.2
98.19854	1.2
106.04140	1.4
107.04922	1.4
109.06494	10.0
111.04411	1.5
119.04930	1.2
120.05756	2.9
121.06538	3.1
121.10193	0.6
122.03661	1.8
123.04446	2.3
123.08083	1.9
125.09642	4.1
127.07561	1.6
133.10162	0.5
135.08093	15.0
137.06065	0.5
139.07570	0.6
141.01697	0.5
142.72795	0.5
147.04424	1.7
147.08110	3.3
149.09660	0.6
150.06824	1.1
153.09137	1.0
159.29362	0.5
160.08890	0.8
161.06050	2.3
161.09662	2.0
164.08430	0.7
165.09177	7.7
173.09695	0.7
175.07574	2.0
175.11185	0.6
177.09157	0.5
179.10754	0.7
185.11803	10.6
189.12810	11.1
190.13368	0.7
195.13943	0.8
203.14386	0.9
205.15990	5.4
215.10777	0.8
215.14453	0.7
223.13409	0.8
231.13933	1.4
233.11890	4.5
239.90808	0.5
243.17549	13.7
244.17947	1.6
245.15623	1.0
245.63461	0.5
249.14977	8.3
259.17020	0.7
261.18695	3.2
263.16589	1.6
269.15494	2.9
279.56815	0.5
287.16592	67.9
288.16910	5.5
289.14722	0.7
305.17645	100.0
306.18015	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	305.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54834	0.7
57.03329	1.0
57.94299	0.6
58.02848	1.1
58.28329	0.6
59.01261	7.9
61.78008	0.6
69.03344	1.8
71.01279	0.7
71.04906	39.8
71.55860	1.2
72.05292	0.9
80.02547	0.9
81.03330	3.7
83.04913	2.3
83.90371	0.7
93.03355	2.6
95.04926	15.9
97.06480	1.8
106.04140	2.6
107.04932	2.1
109.02862	1.7
109.06499	15.7
110.03645	0.7
110.06828	0.7
111.04421	2.4
119.04958	1.8
121.06496	5.8
122.03669	0.9
123.04411	1.0
123.08067	1.5
127.07571	3.5
129.06013	0.7
129.32356	0.8
135.08119	4.1
136.05261	1.2
141.01605	1.1
147.04465	2.2
147.08115	3.7
149.06071	1.3
149.09608	1.1
150.06795	2.3
151.07571	0.8
153.09167	1.2
160.15547	0.7
161.06009	2.8
161.09669	1.9
164.08386	1.1
165.09151	11.4
168.13889	1.0
169.14247	1.5
175.07579	1.2
175.11250	1.0
179.10724	0.8
189.12833	17.2
190.13197	1.0
191.10602	1.0
193.12386	1.3
205.15959	10.9
215.10609	0.9
231.13914	2.0
233.11862	8.0
243.17570	11.9
244.17818	1.0
245.15633	1.1
249.14980	12.1
250.15364	1.0
261.18622	2.0
263.16537	0.9
269.15521	2.9
287.16586	84.5
288.16861	7.5
305.17648	100.0
306.17926	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	305.1764
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03341	0.7
57.34118	0.4
59.01265	3.3
59.03561	0.4
59.12016	0.4
68.99691	0.5
69.03344	0.7
71.29581	0.6
73.70862	0.3
79.70203	0.4
80.02568	1.8
81.03341	1.5
83.04919	8.0
87.28384	0.4
89.02322	0.5
93.03373	1.2
95.04918	2.4
97.06493	0.8
107.04909	1.4
108.02071	1.2
109.06497	3.3
111.08052	0.4
120.05733	0.5
121.02844	2.5
122.03645	0.4
125.06019	0.8
125.09623	1.3
133.02881	1.4
135.04417	2.0
135.08084	4.7
135.11711	0.4
141.01553	0.3
144.33128	0.4
147.04446	1.7
147.08130	0.4
149.06052	0.5
149.09593	0.6
159.08090	0.4
161.06015	0.7
161.09659	0.8
163.11234	7.1
164.11539	0.8
165.12790	3.7
175.07632	0.5
176.08388	7.0
177.09053	1.2
178.09953	4.3
179.10616	0.5
181.12283	1.4
183.32581	0.4
185.11775	2.2
189.09157	0.6
190.09949	1.2
191.10767	2.5
192.11612	1.0
193.12308	0.7
194.81511	0.3
197.11868	1.0
201.66235	0.4
204.11545	0.4
207.10199	2.0
207.13753	0.8
209.11813	87.6
210.12196	5.0
211.13309	0.5
219.17619	0.4
236.10635	2.9
243.17670	2.1
245.15520	1.6
249.14867	0.6
259.17114	0.5
261.18619	5.6
262.18893	0.4
263.16483	0.6
269.15533	1.3
277.18124	1.3
287.16574	10.5
288.16873	0.8
305.08304	1.5
305.17642	100.0
306.17941	8.1
306.21243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2493
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
70.25002	2.2
105.70362	0.5
140.04742	0.5
152.00800	0.5
193.08321	0.5
205.48471	0.5
303.23349	0.7
305.24915	100.0
306.25272	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	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53866	0.6
56.97908	0.8
59.01258	4.4
60.97410	2.0
61.98729	0.7
71.57386	1.2
72.99225	0.7
73.98209	3.6
74.98989	100.0
75.99305	0.9
87.00788	1.7
96.95893	0.9
119.08585	2.9
124.85236	0.6
136.99077	72.3
157.10498	5.0
161.04544	0.7
164.09802	0.7
176.54501	0.7
191.25443	0.6
209.11884	0.7
289.18250	2.8
307.12250	2.6
307.19244	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	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.7
61.54560	0.2
64.20941	0.2
71.01285	0.2
71.57888	0.3
71.63438	0.2
74.98962	4.4
91.02095	2.6
93.00026	3.8
101.02304	0.3
115.97491	0.2
121.02866	0.2
125.09708	0.3
136.59898	0.2
149.00880	2.0
150.98753	0.2
151.11258	0.2
159.08417	7.1
161.04576	0.4
161.06334	2.0
164.91081	0.2
176.90353	0.2
177.99532	0.2
180.89726	0.2
191.14363	0.5
192.98169	0.6
206.99672	1.7
209.01273	2.6
209.11829	0.4
217.07205	0.7
223.02835	49.5
224.02866	3.5
225.00743	0.4
239.09373	0.3
241.03844	1.8
245.19095	1.8
263.20370	0.2
275.06198	0.4
289.07559	1.9
289.18170	3.2
291.09155	100.0
292.09274	10.2
307.12350	4.7
307.19223	5.5
308.12393	0.6
309.10263	3.0
310.10349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.3
60.97361	0.3
62.74168	0.3
69.03316	0.3
71.01266	1.0
73.88834	0.3
74.98953	4.5
74.99345	0.4
85.02873	0.4
91.02110	2.6
93.00023	4.2
98.20694	0.4
101.02362	0.6
104.92708	0.3
117.78324	0.3
121.06512	0.3
125.09653	0.3
127.58224	0.4
133.88332	0.3
134.62888	0.3
137.09570	0.5
149.00874	2.1
151.11206	0.4
159.08406	7.4
161.04488	1.0
161.06287	1.9
185.11818	0.4
191.14380	0.6
192.98129	0.7
199.01263	0.3
206.99722	1.4
209.01207	2.5
209.11815	0.7
217.07248	0.5
223.02832	47.7
224.02892	3.4
225.00798	0.5
229.94090	0.4
241.03894	1.6
245.19142	1.0
275.06061	0.5
289.07620	2.1
289.18161	3.3
291.09146	100.0
292.09296	8.8
307.12439	4.3
307.19171	4.5
309.10208	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06854	0.8
55.01773	1.2
57.03315	1.4
58.00482	1.7
59.01264	43.9
66.70064	1.0
69.03350	12.8
69.68443	1.6
69.68858	4.0
71.01269	20.4
72.99190	2.7
73.02831	1.8
75.00755	1.1
83.01271	4.2
85.02834	6.4
87.00777	1.8
89.02338	20.6
95.01285	2.0
96.95894	2.2
97.02850	3.2
99.00800	5.1
99.08054	22.9
101.02341	15.3
113.02348	8.4
119.03408	7.3
119.04932	1.7
127.07563	6.3
129.09145	1.9
141.09129	2.3
145.02893	2.7
145.08643	68.5
146.08978	1.4
149.05991	1.1
151.71846	0.8
152.12343	0.8
161.04480	2.3
163.03917	1.2
185.00873	4.5
187.09711	1.2
193.04947	1.5
254.73059	1.1
263.16568	1.8
307.14066	100.0
308.14435	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1405
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03356	0.6
58.00457	1.0
59.01262	32.2
69.03351	0.5
69.65766	2.2
69.66188	1.1
71.01270	17.3
72.99191	2.3
73.02816	1.2
75.00757	0.6
83.01257	1.8
85.02835	4.7
86.27641	0.4
87.00726	1.3
89.02328	15.6
95.01266	1.0
95.29134	0.4
99.00765	0.6
99.08052	15.5
101.02338	13.5
111.00766	0.6
113.02345	6.7
113.09664	0.6
116.91501	0.5
117.03368	1.1
119.03413	6.7
119.04893	2.5
127.07585	4.7
129.09143	1.5
129.62457	0.5
135.51865	0.6
141.09167	2.7
145.02869	1.9
145.08632	50.3
146.08955	1.4
161.04486	1.4
161.92477	0.5
163.03967	1.9
179.05554	0.8
187.09746	1.2
199.74963	0.5
201.41754	0.5
216.32051	0.5
219.10559	0.8
279.72754	0.6
296.36395	0.6
307.14032	100.0
308.14291	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	307.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07891	0.9
59.01264	100.0
69.91810	0.9
71.01271	5.7
71.58213	1.0
72.99187	0.8
73.02840	1.0
85.02838	1.9
85.39987	0.9
85.46238	0.9
89.02323	4.7
94.97828	1.1
101.02331	2.6
108.59772	0.9
113.02354	2.5
119.01555	1.3
119.03352	1.0
120.99574	3.9
124.61077	1.1
127.07610	1.5
127.16601	1.0
128.03455	1.3
145.02867	1.1
145.08617	1.5
161.04507	1.7
163.03941	1.4
219.10574	1.6
247.11827	1.6
279.95294	0.8
307.08246	1.7
307.14307	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57931	0.7
57.03331	1.3
59.01267	9.7
69.03346	1.6
70.08389	4.0
71.01266	1.9
73.02826	1.1
79.55063	0.9
80.02557	1.0
83.04906	1.6
85.02840	1.2
93.03335	1.2
95.04924	2.1
97.02857	1.0
97.06483	1.8
98.03645	1.1
98.20494	1.1
105.07010	0.9
109.06520	1.9
111.00748	0.9
111.08041	1.8
123.04449	2.4
123.08107	1.4
125.09680	2.6
127.11145	1.0
132.76640	0.9
135.04469	1.7
135.08130	1.1
137.06044	1.1
137.09660	1.5
138.06821	1.8
149.09703	2.0
151.11243	3.6
153.09163	2.2
153.12759	1.3
155.10707	9.6
157.63930	0.9
161.04507	2.9
161.09621	1.6
163.11218	2.9
165.09142	1.0
167.10733	3.5
169.12277	1.9
177.12868	1.8
179.10738	0.9
181.12338	1.9
191.14374	6.9
192.28325	1.0
195.10281	1.4
197.11836	2.3
205.12225	2.0
209.11842	3.4
209.15518	1.2
217.16107	2.1
224.10611	1.9
225.11298	1.5
235.20839	1.1
239.09265	2.6
245.19133	27.6
246.19693	1.2
261.18750	1.0
263.20096	4.9
271.16989	2.3
279.19684	1.7
289.18164	42.3
290.18472	2.9
307.19235	100.0
307.22687	7.5
308.19611	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.84896	0.7
55.92663	0.8
57.03335	1.5
59.01258	11.6
66.32998	0.8
70.06026	3.4
71.01257	2.3
76.74374	0.8
77.74953	0.8
80.02557	0.8
83.04906	1.3
85.02842	1.7
89.02332	1.4
91.39179	1.0
95.04927	1.2
97.02857	1.4
97.06501	1.6
98.03614	0.9
101.02320	1.0
107.08568	0.9
109.06482	3.4
109.90530	0.9
111.08048	1.7
113.02328	1.0
113.35886	0.8
117.04733	0.9
118.57988	0.9
121.02821	1.0
121.06534	1.3
123.04449	0.9
125.09637	4.1
127.07562	0.9
127.11210	1.4
135.04404	1.0
135.08058	1.0
137.02357	2.1
137.06009	1.8
137.09653	2.2
139.07614	1.1
141.02696	0.9
141.09169	0.8
147.56857	1.0
148.47006	0.7
149.09634	2.5
151.11215	3.9
153.09113	2.4
153.12820	2.0
155.10725	10.1
159.08476	1.0
160.76657	0.8
161.04507	3.1
163.11177	2.1
165.12773	1.2
167.10715	2.9
169.12279	1.7
172.63361	1.0
174.17769	0.8
177.06905	0.9
177.09186	1.0
177.12773	2.9
179.10774	1.3
181.12273	1.2
185.11739	1.0
191.14374	5.8
195.10170	1.1
197.11819	2.7
205.12338	2.6
209.11821	2.7
213.41164	0.9
217.15910	1.5
223.02788	4.6
224.10596	2.0
226.12080	1.4
235.20599	1.1
239.09288	3.6
245.19112	25.8
246.19437	1.6
247.17038	0.9
261.18445	1.3
263.20166	6.4
271.16772	1.7
279.19714	1.9
289.18158	38.8
290.18546	2.1
291.09186	10.2
292.09146	1.0
307.19211	100.0
308.19525	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	307.1922
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.07410	1.4
55.01778	3.6
57.03333	5.1
59.01263	3.7
59.87555	1.4
65.03848	57.2
69.03317	2.6
71.04907	38.7
71.05633	3.7
76.37418	1.6
83.04926	3.8
93.03367	2.0
97.06490	71.6
98.06812	2.0
101.11893	1.6
109.32861	1.6
117.07005	2.2
119.05003	1.6
119.08572	14.6
121.06509	89.5
122.06816	2.1
123.08041	3.6
125.09637	36.1
133.45976	1.5
135.08067	11.6
137.09663	6.5
141.12770	2.8
163.11195	3.4
171.10220	13.1
185.11795	81.8
186.12024	3.7
191.14389	2.0
209.11827	38.9
211.13416	37.7
217.12315	1.8
233.15521	2.5
235.13409	100.0
236.13741	6.4
245.19241	2.5
249.15024	5.6
289.18155	43.4
290.18463	3.5
307.19202	45.4
308.19510	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71218	1.3
55.01764	6.0
57.03320	4.5
59.01261	2.9
61.98706	4.5
65.00261	1.5
65.03848	57.7
68.90290	1.3
69.03333	2.6
71.01280	1.3
71.04903	37.8
71.05764	2.9
83.04900	2.4
97.06484	70.1
97.07117	3.4
109.06478	3.0
111.88873	1.6
119.08576	16.0
121.06505	92.7
122.06850	4.0
123.08054	4.5
125.09637	41.8
126.09971	2.2
137.09630	3.9
157.02725	1.6
163.11116	1.5
165.49840	1.8
171.10269	1.5
179.03453	1.6
185.11789	85.2
186.12122	3.1
209.11807	39.3
210.12283	1.8
211.13379	37.7
212.13791	2.2
212.34937	1.7
233.15523	2.4
235.13403	100.0
236.13687	5.5
245.19102	3.0
249.15012	2.3
250.09157	1.4
271.17126	2.0
289.18179	26.5
290.18573	1.8
307.19180	42.1
308.19543	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.57770	1.0
57.03331	3.2
59.01258	3.1
69.41495	7.8
69.86203	0.9
80.02579	1.4
81.03359	2.8
83.04900	1.1
95.04943	1.7
97.02845	2.7
97.06493	1.9
98.03683	1.1
107.04919	0.8
109.06480	2.0
121.06455	1.3
123.04436	4.4
123.08037	2.4
125.09665	6.7
131.32089	0.9
135.08109	2.1
137.09648	6.1
137.57199	1.0
141.12761	2.1
151.11232	1.0
163.11243	7.7
165.12822	1.2
171.10204	2.4
177.12914	1.3
179.10780	1.6
181.12415	1.7
185.11789	12.9
191.14397	13.2
192.14616	1.0
207.10315	7.1
217.15968	1.5
225.11392	5.8
226.12004	1.0
243.17679	1.3
245.19144	27.0
245.21667	1.7
246.19489	1.7
271.17087	2.5
289.18149	100.0
290.18457	8.4
307.19226	43.8
308.19574	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	2.1
59.01273	3.8
69.03378	1.4
70.00613	1.7
70.01037	2.8
80.02584	1.0
81.03387	3.3
83.01318	1.0
83.04918	1.8
85.02885	0.9
86.56914	0.7
95.04991	2.8
97.02864	4.0
97.06547	2.2
106.04169	1.1
108.02184	0.8
109.02888	1.2
109.06518	1.7
110.03660	1.6
121.06566	1.2
123.04444	4.2
123.08108	2.0
125.06084	1.1
125.09637	8.1
135.08162	1.6
137.09656	5.7
141.12819	2.8
149.06021	1.8
151.11197	1.0
161.09705	0.9
163.07658	1.7
163.11234	9.2
165.09178	1.4
165.12856	2.3
177.12865	1.6
179.10742	1.5
181.12296	2.1
185.11798	11.8
191.10835	1.0
191.14391	11.8
203.14442	1.0
207.10271	5.4
209.11809	6.4
215.14236	1.0
217.15974	1.3
219.14052	1.1
225.11353	5.9
227.17953	1.1
243.17435	0.9
245.19135	31.0
246.19420	1.5
247.17136	0.9
271.17102	3.0
289.18164	100.0
290.18515	6.5
307.19214	56.3
308.19635	4.5
320.11978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	6.9
59.01263	5.6
69.03345	3.5
71.15581	5.2
81.03341	6.2
83.01278	10.4
97.02880	5.1
97.06509	10.3
105.42263	3.5
106.04119	4.9
121.06523	3.7
123.04453	10.5
123.08017	3.5
125.09639	17.7
129.68672	3.0
137.09634	9.8
149.06020	3.0
163.11218	14.6
165.12805	4.4
181.12245	4.4
183.77885	2.9
185.11823	21.7
191.14384	15.3
207.10277	8.7
209.11792	48.9
225.11362	8.1
245.19121	38.4
263.20251	3.8
271.17093	6.2
289.18152	100.0
290.18607	5.6
307.19217	53.1
319.79678	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	18.5
59.01252	8.6
66.16984	3.3
66.45756	3.5
69.03339	6.0
70.49113	9.6
71.01259	14.9
73.35502	3.5
83.04928	6.0
93.07039	4.1
95.04909	8.0
97.06483	24.8
98.20658	4.1
111.08056	16.1
121.06501	4.9
123.04420	3.6
123.08060	3.6
125.09636	9.6
126.82831	3.7
132.58394	3.8
134.85849	3.3
135.08075	5.4
137.09579	4.2
148.66029	3.8
149.09663	9.1
151.11212	30.1
153.09073	7.4
153.12810	7.2
155.10696	12.7
163.11256	9.8
165.12802	40.2
167.10710	8.9
169.12311	4.0
171.10178	6.0
179.10678	11.1
181.12309	54.5
185.11803	10.4
191.10741	21.7
191.14415	11.4
195.10207	4.9
205.12352	5.4
209.11809	100.0
210.12267	4.4
211.13380	9.1
239.09291	4.9
245.19144	48.5
263.19995	7.9
266.44849	3.7
279.19666	7.5
289.18140	57.5
290.18649	4.8
307.19232	83.7
308.19586	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68290	3.1
57.03329	10.7
59.01257	8.2
61.07944	2.8
69.27858	3.7
69.28094	5.7
69.28498	24.4
71.01266	13.8
78.86610	3.1
83.04917	5.4
95.04922	4.6
97.06483	24.1
109.06441	5.2
111.08045	12.3
123.08015	3.6
125.09639	6.6
126.77985	2.9
129.44157	2.9
138.06779	3.0
149.09680	5.4
151.11253	25.9
152.73183	2.7
153.07135	3.1
153.12772	4.8
153.41092	2.6
155.10686	12.5
163.11240	6.8
165.12802	27.3
167.10742	7.7
177.12804	5.3
179.10721	8.4
181.12300	43.4
181.94467	2.8
191.10745	23.6
191.14352	9.2
197.11743	3.5
205.12395	4.1
209.11818	80.4
211.13365	7.6
233.24532	3.5
236.12123	3.4
245.19083	37.8
263.20181	11.8
271.17078	3.8
278.58511	3.0
279.19672	5.6
289.18149	46.5
307.19186	100.0
308.19464	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01250	4.3
59.75392	1.0
61.25935	1.0
66.73590	1.1
69.85318	2.3
69.85731	5.6
71.01241	1.1
78.66444	1.2
83.04874	1.4
84.55602	1.1
89.21452	1.1
98.03663	1.8
109.06500	2.5
111.08046	1.9
118.45718	1.2
118.85040	1.5
123.08066	1.7
125.09660	1.7
127.07608	2.3
127.11243	1.5
137.09666	2.5
142.10056	1.2
151.11250	4.2
153.09087	2.6
155.10736	6.6
163.11137	1.2
167.10616	1.2
169.12306	1.9
177.12801	3.5
181.12312	1.5
191.14398	3.7
197.11792	1.8
205.12363	2.4
221.09503	1.1
224.10349	1.5
239.09305	2.8
239.70473	1.2
245.19128	19.9
246.19507	2.0
263.20203	5.4
271.17133	1.7
281.43036	1.2
289.18137	43.8
290.18494	3.9
290.40759	1.3
300.66589	1.2
307.19220	100.0
308.19577	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.4
59.01260	11.1
71.01259	3.9
71.04883	1.3
71.51842	0.9
71.56333	2.0
83.04917	1.8
85.02840	1.9
97.06496	2.4
98.03616	1.2
107.08606	1.1
109.06506	2.5
111.08073	2.9
113.05981	1.2
123.04446	1.0
123.08090	1.6
125.09662	2.5
127.11178	1.5
137.05977	1.3
137.09619	1.2
149.09645	2.6
151.11226	5.5
153.09131	2.5
153.12714	1.1
155.10709	6.9
161.04483	3.0
161.09689	1.2
163.11232	2.5
167.10721	2.3
168.11440	1.2
169.12260	2.1
177.12845	2.3
179.10776	1.4
181.12300	2.5
185.11826	3.3
191.14386	5.4
195.10229	1.0
197.11821	1.4
209.11816	4.3
211.13289	1.1
217.16072	1.3
224.10477	2.3
239.09262	3.5
245.19136	25.7
246.19382	2.2
263.20190	5.1
271.17123	1.9
279.19702	3.4
289.18161	43.1
290.18497	3.3
307.19214	100.0
308.19598	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	307.2285
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01265	6.1
69.86651	3.5
71.01257	1.8
79.57985	0.8
80.25906	0.5
81.03359	0.7
83.04899	0.7
85.02831	0.8
95.04929	0.6
97.06490	0.8
116.65739	0.7
118.31112	0.6
119.08591	0.6
125.09641	1.0
142.99702	0.6
149.09689	0.8
161.04498	1.7
163.11259	0.7
171.10265	0.7
177.16437	1.0
191.14410	0.8
209.11818	0.9
231.21170	5.9
245.19086	2.1
257.19147	0.8
275.20200	100.0
276.20547	8.7
289.18121	6.3
290.18256	0.7
291.09048	1.0
293.77374	0.6
307.10522	1.7
307.19217	6.3
307.22827	18.9
308.19855	0.7
308.23114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2285
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.51708	0.9
52.82495	1.1
57.03330	2.4
59.01263	11.3
67.07231	1.1
69.55083	1.1
71.01266	1.7
71.56935	1.0
72.52048	1.0
75.00777	0.9
75.53777	1.0
83.04919	1.3
85.02839	1.1
89.02333	1.2
97.06477	1.2
100.09785	0.9
103.03885	0.9
103.50992	1.0
121.06512	1.1
123.08023	1.6
125.09610	2.0
127.11214	9.0
141.11229	1.0
149.09586	1.3
151.11215	9.0
153.12743	1.4
157.64116	1.0
161.04483	3.3
165.12871	1.3
177.12772	3.9
179.10674	1.0
179.14284	2.1
185.11797	1.4
191.14351	1.7
195.13947	1.6
197.11855	6.0
205.15962	1.8
209.11899	1.2
231.21187	4.0
245.19061	2.4
263.20032	1.1
263.23779	1.2
275.20197	48.6
276.20490	4.4
289.18130	7.9
291.09146	2.0
304.44690	1.0
307.10434	2.6
307.19305	9.4
307.22800	100.0
308.23181	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	307.2285
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.82382	0.7
53.97794	0.8
57.03326	1.9
59.01262	11.9
70.02067	0.8
71.01281	1.9
71.04895	0.9
71.48846	1.3
73.02864	1.4
77.37063	0.8
80.84659	0.8
85.06468	1.0
95.04936	2.0
97.06463	1.1
101.02328	1.9
109.06494	1.0
111.08068	1.3
125.09679	0.8
127.07576	0.9
138.06653	0.8
142.04863	0.7
151.11198	1.3
161.04492	3.3
163.11205	0.9
167.10667	1.2
170.99596	0.8
177.12816	3.7
177.16429	1.7
179.03459	1.0
179.10825	0.7
179.14348	9.9
185.11761	1.2
191.14182	0.9
195.13882	3.5
205.12289	2.4
205.15929	7.4
223.02765	0.8
223.13390	16.1
231.21262	5.3
245.19104	2.0
257.19260	1.3
275.20206	79.8
276.20572	6.4
289.18143	7.0
290.18494	1.2
291.08936	1.2
296.02719	0.8
307.10486	1.6
307.19351	7.9
307.22812	100.0
308.19653	1.4
308.23108	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2288
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
59.01256	1.8
71.01282	0.4
76.20236	0.4
161.04437	0.7
248.75024	0.5
289.18167	1.1
307.22845	100.0
308.23196	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95694	3.8
57.03335	11.6
59.01262	13.4
60.98296	3.1
64.08099	3.4
65.69134	4.3
70.26233	7.3
70.26656	12.1
77.10487	3.2
80.43032	3.3
80.54346	3.4
95.04935	6.9
109.06514	4.3
111.08057	51.4
112.08436	3.8
151.11230	6.2
151.88399	3.9
167.10696	8.7
177.12752	5.5
179.10748	8.5
181.12292	5.8
195.13858	28.8
197.11816	7.3
208.33846	3.8
209.11864	19.4
223.13365	5.2
247.20604	7.9
291.19742	100.0
292.20139	12.0
294.34830	3.8
301.09482	3.8
309.20749	19.1
309.49106	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	309.2078
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.51068	0.8
57.03335	2.8
58.13153	0.9
59.01260	6.2
60.28779	0.8
69.03340	1.4
71.01272	0.9
71.04526	1.4
71.04905	15.5
71.55800	1.4
71.56142	0.8
72.68861	0.9
83.04893	0.9
93.06995	1.6
93.10647	0.8
95.04893	2.0
97.06487	4.2
107.04893	2.3
111.08018	1.4
119.08560	2.6
121.06465	0.8
121.10159	9.5
123.08075	2.9
125.09639	9.8
135.08040	1.7
137.09644	17.4
138.09947	1.0
141.12779	1.4
147.08034	1.0
155.76378	0.7
165.12891	1.0
167.14389	0.7
171.10222	38.0
172.10469	1.3
172.51208	0.7
181.12300	1.2
185.11803	15.8
186.11986	1.1
197.11815	2.9
207.13803	1.0
207.17540	1.2
209.11850	1.9
211.13263	1.5
219.13878	2.1
233.15456	1.0
235.17094	2.1
237.14928	2.4
247.20641	2.4
251.16560	41.9
252.16858	4.1
267.09378	0.9
273.18707	2.6
291.19720	97.3
292.20007	9.9
309.10410	2.0
309.20770	100.0
310.21112	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.86460	1.2
55.53843	1.1
57.03337	1.8
59.01258	3.4
69.66167	9.0
71.04906	15.8
79.81070	1.1
83.04925	1.6
95.04910	1.8
97.06483	5.4
107.03246	1.3
107.04948	1.8
111.08064	2.0
119.08562	1.2
121.10172	5.5
121.43571	1.1
125.09639	3.5
131.84865	1.2
137.09641	17.2
156.13556	1.3
157.08607	3.5
171.08763	2.5
171.10222	46.5
172.10547	2.3
179.36172	1.1
185.11777	7.7
191.52600	1.1
211.13333	2.6
219.13901	2.0
233.15463	1.5
235.17059	2.1
237.14955	2.2
244.52751	1.1
244.55318	1.1
247.20609	1.4
251.16515	15.9
291.19727	51.6
292.20102	6.4
309.20752	100.0
310.21161	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	309.2075
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03331	2.5
59.01280	0.8
67.01778	2.3
69.03345	0.9
69.41735	2.1
69.42156	3.7
71.04885	0.8
82.38142	0.7
83.04908	1.5
84.71370	0.7
93.06997	1.3
95.04930	0.7
97.06476	0.8
107.78591	0.7
111.08065	2.2
119.22575	0.7
121.10146	13.3
123.08123	1.0
125.09650	8.9
137.09641	5.9
141.12770	0.9
167.14346	1.6
171.10248	10.8
185.11797	11.1
186.12103	0.7
195.13951	1.5
197.11803	3.5
209.11868	0.8
211.13380	64.7
212.13701	3.8
226.70143	0.6
242.39529	0.8
247.20056	1.3
273.18607	1.4
289.18216	0.9
291.19717	100.0
292.20041	11.8
309.20389	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98060	0.6
50.98676	0.7
64.78161	0.7
70.84344	1.6
70.84751	1.5
82.31994	0.7
109.06532	1.0
111.08069	30.4
127.07564	1.8
169.12288	4.2
180.62376	0.8
181.12239	2.3
183.13803	0.9
197.11809	100.0
198.12178	3.5
199.13356	3.2
211.13382	8.6
212.13638	0.9
225.14922	1.0
227.12912	2.5
251.16710	0.9
263.20175	4.7
265.18167	2.7
273.18646	1.7
291.19708	20.0
309.20789	48.4
310.21127	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30454	0.9
53.35606	0.9
57.03349	1.1
58.00477	1.8
59.07788	0.9
69.03325	2.2
70.69386	2.5
70.69738	1.0
83.04899	1.1
92.95774	1.0
99.21966	1.0
109.06490	1.9
111.08073	28.0
127.07576	1.8
151.04199	1.0
158.92267	1.1
159.66901	1.1
169.12318	6.6
181.12305	2.3
193.12233	1.5
197.11812	100.0
198.12163	4.3
199.13379	4.2
199.87059	1.1
201.79289	1.2
211.13370	8.9
227.12914	3.7
263.20215	6.5
265.17892	1.4
273.18613	1.8
291.19705	20.9
309.20786	45.2
310.20984	1.6
328.13922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33531	1.3
55.01755	2.3
57.03320	4.0
59.01258	4.5
69.03375	1.3
70.59039	1.8
70.59388	4.4
80.02578	1.7
80.67811	1.5
81.03318	2.1
83.01271	8.6
83.04921	4.4
92.54684	1.3
95.04933	3.5
97.06488	4.3
111.08065	3.8
117.55717	1.5
123.04495	2.0
123.08067	4.0
125.05997	2.4
125.09642	11.2
127.11224	2.1
139.11209	10.4
151.11203	1.5
152.08405	1.6
153.11754	1.7
163.11198	7.5
163.97842	1.6
165.09145	1.6
165.12828	17.2
167.10716	4.5
171.10194	1.9
179.10620	1.8
181.12219	4.9
183.13892	1.9
188.65868	1.5
191.10782	3.4
193.15939	5.3
197.11807	3.9
204.86934	1.6
209.11813	61.6
210.12128	3.9
211.13515	1.8
224.05830	1.4
232.66985	1.6
236.14009	1.3
247.20692	12.4
263.20410	1.6
265.21716	3.6
273.18616	6.1
291.19730	100.0
292.20059	9.6
309.20740	55.0
310.21100	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.02586	0.7
57.03323	3.5
57.07988	0.8
58.37289	0.8
59.01264	6.2
69.03339	1.3
70.87441	2.0
70.87778	1.3
71.01273	0.9
71.04527	1.3
71.04908	18.8
83.04919	1.2
93.03339	0.8
95.04903	1.5
95.75729	0.8
97.06481	5.3
107.04929	3.3
107.08576	0.9
111.08063	1.7
119.08571	2.1
121.10153	11.7
123.04371	1.1
123.08053	2.9
125.09636	11.4
135.08078	1.2
137.09654	21.7
141.12727	1.9
147.08109	1.2
149.41486	0.7
161.75557	0.8
171.10225	43.1
172.10535	2.4
181.12413	1.4
183.10197	1.9
185.11784	14.5
193.12480	0.8
195.14020	1.1
197.11798	3.5
207.13864	1.5
207.17509	1.1
209.11798	1.6
211.13387	2.5
219.13875	2.8
235.17043	2.2
237.14935	3.0
247.20618	2.5
251.16548	42.9
252.16960	3.3
255.31552	0.9
273.18607	2.6
291.19717	98.9
292.20029	8.3
305.50720	0.9
309.20770	100.0
310.21161	8.8
326.77875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03334	1.7
59.01262	5.9
61.98712	2.8
67.01752	0.5
67.82977	0.5
71.01263	0.7
71.04910	2.8
71.05252	0.5
71.52759	0.5
71.56528	0.9
73.02824	0.7
83.04916	1.2
85.02843	0.8
87.00732	0.7
88.20436	0.5
90.82047	0.5
93.03319	0.8
95.36035	0.5
96.95902	0.6
97.06487	1.2
101.02317	0.9
109.06458	1.1
111.04372	0.6
111.08070	3.3
113.09547	0.7
119.04922	0.7
120.82633	0.5
123.08089	0.7
135.02896	1.1
165.12796	1.6
167.10738	1.0
167.14151	0.5
169.12216	0.5
171.10175	0.9
179.10851	0.6
181.12334	1.0
183.13878	2.4
195.13901	2.6
197.11787	7.9
209.11809	0.8
209.15416	1.2
211.13374	2.2
221.15486	0.5
223.16992	0.7
225.14925	1.4
236.17116	0.5
237.14922	1.1
247.20695	2.1
249.55894	0.6
250.12230	0.5
251.16580	5.6
251.19102	0.8
265.18234	0.7
267.67313	0.6
273.18555	1.5
291.16324	0.7
291.19705	20.0
292.20050	1.8
309.20752	100.0
310.21109	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	1.2
69.43327	1.5
69.43749	4.2
70.10056	0.7
71.04933	0.9
71.63710	0.6
89.97770	0.6
95.04943	0.7
97.02914	1.2
97.06506	0.8
98.20547	0.9
108.52106	0.6
111.08076	1.3
125.09673	1.8
137.09680	1.4
144.81960	0.7
151.07642	1.3
152.08415	0.6
154.75851	0.7
163.11263	4.0
165.12779	6.5
167.14433	0.7
171.10281	2.4
177.12776	1.1
179.14439	2.7
181.12303	2.2
185.11780	1.1
193.15968	2.1
197.11819	2.6
209.11786	1.1
209.15407	1.2
221.11931	0.7
223.13411	2.8
247.20677	6.6
273.18671	3.6
291.19717	100.0
292.19983	4.2
309.20761	98.5
310.21045	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44082	1.5
57.03329	3.0
58.00480	2.0
59.01258	3.2
69.03329	5.1
70.35136	6.9
72.90807	1.8
86.50352	1.7
107.08508	2.6
111.08057	26.4
119.08558	13.3
121.10108	2.5
125.09610	6.8
127.07561	4.1
127.11199	2.4
128.57158	1.8
135.08072	2.7
137.08691	2.8
137.09650	30.7
146.36693	1.6
155.10681	3.4
163.11244	2.1
167.10640	2.3
169.12268	6.3
171.10216	100.0
172.10526	5.2
181.12341	2.1
183.10258	6.1
183.13776	2.3
185.11772	22.5
185.70093	2.0
195.10367	2.0
197.11815	82.5
198.12167	5.2
199.13336	4.1
201.11302	7.2
211.13350	14.9
213.11279	10.3
221.11684	1.6
229.19656	3.3
238.07861	1.8
263.20206	5.3
273.18689	11.5
274.19003	1.9
291.19717	60.7
292.20071	6.4
309.20749	85.1
310.21201	9.0
325.87436	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.2
59.01253	1.0
69.03355	0.5
71.15436	0.7
89.00079	0.4
95.04947	0.6
97.06521	2.1
97.07014	0.4
106.04164	0.5
111.08046	0.6
113.09647	2.2
115.07549	2.1
125.06001	0.9
126.06789	1.0
139.11208	0.8
141.09126	2.2
151.11211	0.5
153.12712	0.4
163.11182	0.3
165.12799	2.5
166.33691	0.4
167.10715	0.4
167.14343	1.7
167.15698	0.4
181.12262	3.1
183.13873	1.7
193.12344	2.4
193.15926	0.9
195.13864	1.8
211.13377	3.8
213.14824	0.7
221.15465	1.7
229.14493	0.6
239.12866	0.7
240.13663	2.1
241.14427	1.1
245.19113	0.7
247.20720	3.9
263.20160	0.5
273.18762	2.5
275.60361	0.4
281.21402	1.5
291.19730	38.1
292.20062	3.7
309.20779	100.0
310.21161	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01262	0.9
62.93090	0.5
64.36157	0.4
71.28085	1.0
74.36842	0.4
80.02554	0.8
82.30445	0.4
84.57908	0.4
87.47361	0.4
96.67222	0.5
109.06514	0.9
111.08075	2.3
125.09644	0.8
127.11187	1.1
151.11185	0.9
153.09169	0.8
153.12772	4.2
155.10707	1.3
167.10710	1.4
169.12326	1.0
177.12828	0.5
179.10712	0.6
179.14337	1.4
181.12347	2.6
193.15955	0.9
197.11812	2.9
199.13405	1.2
207.13876	1.9
215.12843	0.9
226.12201	0.7
227.12936	1.1
228.13660	1.2
247.20700	3.7
265.21793	0.8
273.18820	2.0
281.21304	1.2
291.19730	28.3
292.20035	2.8
309.20758	100.0
310.21121	8.0
322.34317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	4.8
59.01256	3.0
69.03336	2.5
70.60822	2.4
71.04906	5.0
81.03380	1.0
83.04910	4.8
85.02831	1.1
85.06487	2.7
87.04398	1.1
97.02853	11.9
97.06499	2.7
98.09364	1.0
109.06496	3.3
111.04501	0.9
111.08075	1.3
111.60181	0.9
125.09603	1.2
137.09657	1.7
145.97487	1.0
147.85664	1.1
151.11296	1.1
165.12785	2.2
171.10269	6.9
179.14368	2.2
181.12207	1.8
193.12289	2.0
195.13898	15.9
196.14082	1.1
205.12309	1.3
206.29608	1.1
211.13383	1.4
221.12161	1.8
221.15460	12.0
223.13400	8.6
223.17072	1.0
227.12917	1.2
233.15532	1.3
239.16600	3.6
244.11763	1.0
247.20663	4.8
251.16473	3.1
273.18619	2.7
291.19733	70.1
292.20020	6.0
309.20782	100.0
310.21017	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03341	1.9
59.01272	1.5
60.54772	0.2
64.60330	0.2
67.01782	0.3
69.03323	0.6
69.27640	1.7
69.28065	0.9
71.01263	0.3
71.04907	9.0
77.31899	0.2
81.03335	0.3
83.04910	1.2
87.04400	0.3
93.03345	0.3
95.04913	0.4
97.06487	0.8
102.27348	0.2
107.04937	0.2
109.06448	0.2
111.08057	2.1
121.10150	0.6
123.08023	0.3
125.09620	0.8
131.97421	0.2
135.08069	0.3
137.09634	1.7
163.11217	0.3
165.12785	1.8
167.10738	0.5
169.12210	0.2
171.10222	4.0
175.44925	0.2
181.12314	0.4
181.15787	0.3
183.13910	1.5
185.11792	0.8
191.14362	0.4
193.15984	0.3
195.13896	0.8
197.11807	3.7
198.12099	0.3
199.13356	0.3
207.17471	0.5
209.11765	0.4
211.13329	0.8
219.13963	0.3
221.15469	1.0
225.14946	5.6
226.15347	0.4
227.12936	0.3
233.15392	0.6
235.17021	0.7
237.14996	3.2
239.16589	2.4
247.20656	0.7
251.16554	7.2
251.19022	0.5
252.16852	0.7
263.20209	0.3
265.18094	0.3
273.18628	0.8
289.18311	0.3
291.19724	10.8
292.20053	0.8
309.20767	100.0
310.21115	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99224	1.0
57.03329	3.0
59.01239	2.7
69.03017	1.0
69.03329	6.7
69.28680	7.9
69.29107	2.6
83.04913	1.0
91.14523	1.2
95.04937	1.1
95.24472	0.9
95.81554	0.9
97.02850	32.8
97.06490	2.1
99.00732	1.2
99.16606	1.0
107.04887	1.1
111.08054	2.4
119.08595	2.2
123.08044	1.9
123.18530	1.0
125.05975	1.3
125.09656	4.8
127.11203	1.5
137.09669	6.0
156.17435	1.0
163.11232	4.8
165.09254	1.1
165.12811	12.6
166.13097	1.3
167.10780	1.3
171.10239	15.5
177.63844	0.9
179.14426	1.8
181.12308	4.1
183.13860	2.3
185.11807	1.3
193.12299	3.1
193.15947	3.3
197.11804	1.5
207.10333	1.0
209.11816	6.1
209.15498	1.0
211.13408	4.1
223.13333	1.8
227.12950	8.0
229.19609	1.8
247.20750	11.7
273.18680	4.2
291.19727	100.0
292.20041	10.0
300.16486	1.0
309.20764	61.8
310.21252	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	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.5
56.94258	0.7
58.00466	1.0
59.01263	26.3
62.91141	0.8
69.03348	1.0
69.46014	7.2
71.01269	3.2
72.99187	2.1
73.02831	6.8
75.00767	8.9
83.01269	1.0
85.02844	5.7
87.00774	1.6
89.02327	2.5
93.03374	1.5
95.57506	0.7
101.02364	1.9
109.02845	1.1
113.02352	0.9
119.04939	18.4
120.05305	0.8
121.02891	1.8
122.03652	6.0
124.01577	1.7
129.01796	1.3
131.03415	11.6
133.02913	3.6
135.02933	7.8
135.04451	9.0
137.02367	2.4
139.03931	2.3
143.04909	1.0
147.02954	5.8
149.02432	5.5
149.04495	100.0
150.04851	2.4
153.01860	1.0
154.02669	1.7
161.02380	15.3
161.04529	1.9
161.05971	1.5
163.03958	39.8
164.04265	1.7
165.01900	1.3
165.04008	11.0
171.04567	1.0
172.65718	0.8
179.03464	7.6
189.05524	6.1
194.02173	2.8
195.69757	0.8
196.75620	0.7
207.06577	1.2
251.11349	2.3
274.92276	0.8
311.07697	4.4
311.12619	1.0
323.01819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69979	0.4
55.01779	0.4
59.01255	2.5
60.76758	0.4
60.86047	0.5
70.05484	0.8
70.05882	1.3
71.01282	1.3
72.99194	1.2
73.02836	7.1
75.00759	8.9
87.00764	9.2
89.02332	1.2
89.03870	2.0
117.01846	17.6
117.03329	6.6
118.02216	0.5
134.03659	67.8
135.02927	24.4
135.03969	2.1
136.03262	0.6
137.02400	1.3
139.03923	0.9
142.30412	0.4
142.81468	0.4
149.02367	2.0
149.06004	5.8
160.01567	0.8
163.03891	0.8
175.03979	0.8
178.02650	4.8
193.05028	100.0
194.05345	5.1
235.90633	0.5
311.07834	1.7
312.84564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14279	0.4
59.01267	2.2
69.43869	3.2
73.02845	0.5
75.00759	2.3
83.84763	0.3
87.00780	0.7
87.21601	0.4
87.77967	0.4
89.02361	0.6
89.03845	2.4
93.03378	0.7
99.00791	0.7
106.04139	0.6
109.02870	0.9
117.01904	2.0
117.03370	9.9
119.04942	1.9
121.02871	0.9
122.03615	0.6
134.03659	100.0
135.02916	5.5
135.04024	3.5
137.02354	0.9
139.03952	0.7
149.02393	2.9
149.04512	1.5
149.06017	8.1
150.06343	0.4
163.03943	3.0
165.03998	1.2
177.05412	0.7
178.02774	0.9
179.03419	0.4
185.54953	0.4
186.88667	0.4
189.30807	0.4
193.05029	96.1
194.05341	3.5
221.04544	1.3
230.78464	0.4
251.11157	0.4
274.05728	0.4
311.07907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12362	0.2
59.01263	1.7
62.11430	0.2
70.34302	0.5
71.01280	0.4
73.02851	0.3
75.00759	1.6
86.85318	0.2
89.02306	0.5
89.03857	2.1
103.17545	0.3
106.04179	0.5
117.01929	0.5
117.03370	9.7
118.03719	0.3
134.03656	100.0
135.02910	8.1
135.03995	3.4
137.02325	0.4
143.77899	0.2
149.06015	7.2
150.06354	0.3
166.57793	0.2
192.55325	0.2
193.05025	92.5
194.05371	3.7
311.07565	1.7
311.10733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86060	0.4
59.01267	8.7
70.59198	0.5
70.59528	1.2
71.01279	3.1
72.99194	3.0
73.02834	0.7
75.00764	27.6
78.19936	0.4
83.46442	0.4
85.02831	0.8
87.00771	1.2
89.02345	5.4
89.03851	1.3
99.00783	0.5
101.02345	0.6
101.99064	0.4
106.04147	0.5
109.02868	0.5
109.73526	0.4
117.01852	2.0
117.03378	4.6
123.00882	0.5
134.03665	92.0
135.02925	100.0
136.03261	1.6
137.02364	0.6
139.03969	0.6
149.02400	1.0
149.05997	5.0
158.01134	0.5
175.03970	0.4
176.22737	0.4
178.02699	0.9
182.93794	0.4
193.05038	77.5
194.05359	4.2
232.32730	0.5
239.03723	1.5
271.02557	0.9
287.02017	0.9
299.01886	0.7
311.07755	1.1
311.10837	0.5
311.22195	0.7
311.29608	0.5
312.06717	4.2
315.01535	1.0
316.02234	0.7
317.03027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03328	1.3
58.00478	0.7
59.01264	28.7
59.63330	0.3
69.03352	1.3
69.86609	1.7
71.01250	2.2
72.99207	1.7
73.02841	1.6
75.00758	1.3
78.56337	0.3
83.01277	1.3
83.84570	0.3
85.02843	4.9
87.00764	2.0
101.02354	1.1
105.01850	1.0
107.04897	0.4
117.01852	1.0
117.03358	0.7
119.04942	5.3
129.01842	1.2
131.03427	13.8
132.03688	0.4
133.02882	6.4
134.03676	6.3
134.42888	0.3
135.02928	1.6
135.04454	7.6
142.11914	0.3
147.02954	0.6
149.04495	100.0
150.04802	2.2
161.02393	17.0
162.01489	0.3
162.02748	0.5
163.03947	3.1
165.04001	5.5
166.46547	0.3
179.03458	5.0
193.05006	5.1
194.05473	0.4
231.19942	0.4
294.69974	0.4
305.39706	0.4
311.07846	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	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.7
71.01276	1.5
71.35271	0.9
72.99203	1.8
73.02830	5.9
75.00757	7.4
86.57060	0.5
87.00771	9.7
89.02340	2.0
89.03871	0.9
89.21854	0.4
93.03389	0.8
115.92625	0.4
117.01857	16.3
117.03329	7.0
117.98118	0.5
118.02207	0.5
119.04954	1.2
121.02846	1.3
122.03658	0.8
134.03665	80.1
135.02933	26.7
135.03995	2.0
137.02377	1.6
139.03966	1.2
149.02422	2.4
149.04410	0.5
149.04756	0.7
149.06032	8.3
160.01610	1.0
163.03932	1.8
165.03960	1.3
167.03432	0.5
175.03963	0.7
177.87657	0.4
178.02676	4.7
193.05043	100.0
194.02184	0.6
194.05342	4.6
221.63559	0.4
252.07707	0.4
311.07785	0.6
323.94571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.2
64.93631	0.4
70.84784	0.5
71.01261	0.9
75.00758	1.9
75.68531	0.5
89.02341	0.9
89.03863	2.1
98.20623	0.7
101.02359	0.6
107.40499	0.4
117.03372	10.5
133.02966	0.9
134.03658	100.0
135.02914	8.7
135.04002	3.1
149.02374	1.1
149.04604	1.0
149.06010	7.1
161.02402	0.6
193.05028	95.3
194.05353	4.6
251.11467	0.8
281.09448	2.1
293.09451	0.8
311.07635	1.1
311.10489	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	311.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	100.0
70.06974	5.7
71.01260	3.7
73.02816	1.9
75.00763	1.6
85.02820	1.7
98.20473	1.6
101.02327	2.4
134.03648	3.9
135.04504	1.3
147.79332	1.2
149.04463	5.3
149.05785	1.4
161.04501	3.4
161.31558	1.2
163.03905	2.2
193.04979	2.8
209.90964	1.1
251.11360	8.0
258.75027	1.3
269.10367	1.9
311.22241	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
69.95271	6.0
71.01271	6.6
73.02823	2.9
85.02839	3.7
89.02319	1.2
93.10129	1.1
101.02347	7.3
113.02348	2.7
119.04898	1.3
122.03589	1.2
134.03717	1.4
135.02969	1.4
149.02376	2.5
149.04462	4.2
161.04520	7.9
163.03946	3.4
179.03410	1.0
189.05470	1.1
193.05038	2.3
247.88618	1.1
251.11380	22.7
269.10257	1.2
311.22174	1.4
311.29593	1.9
314.76715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2023
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01262	3.3
76.20524	0.2
133.06512	2.1
149.09662	100.0
150.09990	4.5
150.11139	0.4
161.04347	0.2
183.01172	3.9
229.23892	0.3
251.11337	0.4
277.38092	0.3
297.17484	0.2
311.16974	6.3
311.20184	64.5
312.17249	0.9
312.20526	6.1
315.00278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.8
59.01268	25.6
64.90363	0.8
69.24395	1.0
71.01269	1.6
71.24921	1.7
84.17377	1.0
99.08044	2.5
111.08075	1.9
113.09641	3.5
129.09151	6.4
139.11238	2.2
149.46649	0.9
155.05815	0.9
161.04478	1.3
169.12297	1.4
171.10201	2.9
181.12292	4.4
183.13913	3.4
193.12343	1.8
197.11865	7.9
198.12135	3.5
199.12204	2.3
199.13609	1.2
211.13432	16.5
212.13686	1.5
251.11369	2.3
275.20111	1.4
293.21289	25.1
294.21643	2.7
311.22342	100.0
312.22705	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	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.0
63.37663	0.4
64.43976	0.5
70.33398	1.8
71.01276	0.8
106.13912	0.4
111.08087	0.6
113.09595	0.5
125.09642	0.6
127.11240	1.2
129.09163	1.4
141.09232	0.5
153.12807	4.0
163.11217	0.6
169.12302	3.0
181.12312	11.5
197.11813	1.3
199.13332	2.0
227.12872	0.6
228.13629	1.2
234.71855	0.5
249.22214	0.8
264.91916	0.4
265.21814	1.0
267.23224	0.5
268.81961	0.5
271.51782	0.4
293.21265	8.9
294.21527	0.5
311.22342	100.0
312.22699	7.5
312.61234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.0
58.00501	0.7
59.01267	9.6
60.01568	0.7
64.79704	0.6
69.03356	0.9
70.49918	1.5
70.50323	1.4
71.40436	0.6
79.63609	0.7
79.86269	0.7
85.02796	0.7
92.83884	0.8
95.96719	0.6
97.06489	1.0
99.08062	5.0
108.95525	0.8
113.09627	6.7
127.07584	1.0
127.65174	0.7
129.09137	11.7
129.30739	0.7
137.09647	0.7
151.11212	1.0
153.12819	2.1
161.04742	0.7
167.10735	0.8
169.12288	2.5
171.10172	0.9
181.12288	6.4
183.13892	3.8
193.12274	3.3
197.11807	14.4
199.13364	5.7
211.13393	24.4
212.13629	1.0
213.14967	9.2
251.11395	1.1
275.20151	2.2
277.79852	0.6
293.21292	25.1
294.21594	2.2
311.22348	100.0
312.22739	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01249	2.2
60.05963	0.6
70.87960	2.3
73.89175	0.7
77.42805	0.7
82.36742	0.7
83.04895	0.9
99.08028	2.7
102.83575	0.7
111.08047	0.7
113.09632	4.3
129.09140	5.5
136.49510	0.7
139.59143	0.8
151.11258	0.9
169.12265	2.5
171.10167	2.6
181.12312	5.9
183.13803	2.2
193.12250	2.1
197.11794	11.0
198.12071	1.1
199.13364	5.9
211.13391	19.0
212.95781	0.7
220.65112	0.8
220.73941	0.7
227.12590	1.1
275.20233	2.1
293.21298	19.4
308.38992	0.7
311.22321	100.0
312.22647	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
58.00479	0.8
59.01049	0.3
59.01262	4.2
59.87862	0.4
62.79559	0.5
62.80557	0.5
69.03333	0.4
70.58965	1.0
83.04917	0.9
85.24464	0.4
97.06478	0.5
97.61043	0.4
99.08059	3.9
99.96214	0.4
111.08067	1.0
113.09638	4.0
125.09664	0.5
127.07545	0.8
129.09137	8.4
139.11185	1.3
141.09064	0.5
143.11089	0.4
149.13274	0.6
151.11246	1.3
153.12750	1.1
155.10608	0.6
158.79037	0.4
165.12894	0.5
167.14336	0.5
169.12318	2.8
171.10298	2.4
181.12297	6.2
183.13872	3.1
193.12244	2.3
197.10016	0.5
197.11827	12.4
199.13397	5.2
211.13390	20.9
212.13734	1.4
229.85199	0.5
275.20444	2.0
293.21280	15.5
293.24515	0.9
294.21695	0.8
311.22333	100.0
312.22675	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	311.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01252	2.9
67.81231	0.6
70.43920	2.7
98.19918	1.0
115.07534	2.3
128.08333	0.8
167.14355	3.9
183.13826	2.9
195.13902	12.4
211.13385	1.7
213.14954	1.4
241.14224	0.7
242.15343	1.0
249.22171	0.9
267.23373	1.0
269.94968	0.8
275.20367	0.9
293.21310	8.8
311.22336	100.0
312.22705	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	313.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	6.8
69.27235	6.9
69.27661	14.0
71.01280	2.8
72.99206	4.2
75.00760	29.6
87.00777	2.5
89.02337	4.0
90.37228	1.9
93.03336	1.8
95.04893	2.7
98.20576	3.3
105.03342	7.1
107.04944	2.4
117.01837	2.4
121.02883	5.3
122.03653	2.7
123.04443	100.0
124.04784	4.0
125.02383	1.9
133.02875	65.3
134.03162	2.5
135.02916	88.7
136.03232	3.3
137.02318	2.6
145.02905	2.3
149.02342	2.3
151.03966	11.8
177.01857	16.0
177.05501	2.2
195.02959	79.6
195.84378	2.0
196.03287	2.6
313.05807	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	313.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85590	1.2
59.01257	6.2
67.09604	1.3
69.49074	9.2
71.01299	1.5
72.99204	4.8
75.00761	34.2
77.64159	1.2
89.02345	4.2
89.03812	1.6
93.03319	2.0
95.04929	3.4
98.19810	2.7
105.03364	6.2
107.04919	2.3
109.02895	1.4
117.01843	1.4
121.02829	2.0
122.03668	3.5
123.04453	70.3
124.04783	2.1
125.02428	1.6
133.01854	2.3
133.02884	52.0
135.02927	100.0
136.03244	3.6
137.02269	1.4
138.02719	1.4
149.02347	2.8
150.02756	1.8
151.03973	13.6
159.20866	1.4
165.00713	1.7
177.01888	27.0
177.03328	2.4
178.02513	2.3
195.02965	49.9
196.03256	2.6
220.08162	1.3
313.05740	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	313.0725
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01266	1.1
71.01255	0.3
71.45078	0.2
77.03886	0.2
83.44860	0.2
85.02838	0.2
89.02345	0.3
93.03360	0.3
101.02372	0.3
108.02107	0.3
121.02869	100.0
122.03214	2.9
125.09658	0.2
145.02863	0.4
180.05748	1.0
181.06551	4.7
182.06813	0.2
225.05586	7.1
226.05951	0.4
253.09340	0.6
269.08173	0.3
269.13010	0.3
283.10355	0.2
313.07245	18.6
313.23804	0.6
314.07584	1.4
327.29013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1792
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
59.01268	3.6
69.62889	0.5
71.01247	1.4
71.57006	0.9
73.86053	0.5
79.05425	0.8
85.02848	0.7
85.53649	0.5
87.72218	0.5
89.02353	1.2
91.02077	0.8
93.03356	11.6
93.34827	0.6
95.04875	0.9
101.02312	1.1
107.04941	3.6
109.06511	1.0
113.02353	0.7
119.04907	0.7
121.06469	1.3
127.07519	0.5
133.92464	0.6
145.02933	1.0
147.08040	2.1
147.11674	1.4
148.01379	1.0
153.56458	0.6
159.67416	0.7
161.04608	0.6
162.19360	0.6
193.12289	0.9
201.12823	0.6
203.06837	0.9
215.06963	0.5
215.10510	1.5
217.12048	3.0
217.15860	0.6
227.17999	3.1
229.08473	1.0
231.10056	0.9
242.67688	0.6
243.10059	1.8
245.11528	0.7
245.19115	5.7
247.09494	3.2
249.11113	5.1
253.09201	2.6
259.13165	0.8
266.33966	0.6
271.17126	0.6
272.14099	0.7
277.10550	0.6
279.12204	2.0
284.13904	0.8
295.16772	1.8
297.14630	1.0
313.17905	100.0
313.23904	3.2
314.18228	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	313.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76876	11.7
59.01256	40.3
62.05282	10.8
66.87169	12.2
69.55853	100.0
72.86735	10.6
74.02377	12.1
89.02303	12.9
89.31442	11.2
93.13475	11.4
118.17010	13.1
145.02870	22.1
149.44260	12.5
185.00543	15.1
190.71758	14.3
208.76967	11.3
218.33000	12.2
253.09215	17.6
281.90253	14.9
313.17172	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04144	0.6
58.76290	0.6
63.02277	8.0
65.00206	19.3
67.01778	0.9
70.50916	2.6
79.01794	1.2
81.03341	1.9
83.01265	8.5
86.98991	1.1
91.01763	1.0
93.03373	1.6
95.01279	3.8
103.97474	0.8
105.03351	1.1
107.01287	26.4
107.04905	0.8
108.02097	1.3
109.02838	1.7
110.00004	3.0
111.00769	1.1
115.05431	1.7
117.03367	1.3
119.01288	1.5
119.04927	1.6
121.02890	2.5
122.38438	0.7
123.00773	4.6
124.01566	0.6
125.02347	4.0
127.05487	0.8
131.04916	1.4
133.02884	4.2
135.00815	10.1
135.04474	1.2
136.98744	1.1
139.00259	1.9
139.03952	3.8
143.04935	5.9
145.02892	4.0
147.00905	1.0
147.04443	3.7
148.01613	0.8
149.02386	6.4
149.99539	1.1
151.00301	100.0
152.00890	3.4
153.01872	0.7
154.04205	0.7
155.04947	1.3
157.02919	1.2
159.04449	6.6
161.02322	3.6
163.00322	7.8
163.03984	1.0
164.00990	1.2
164.98221	1.8
165.98978	2.2
169.01439	3.8
169.02716	1.2
171.04478	6.8
173.02432	3.0
175.00348	1.7
175.03928	3.9
177.01888	4.8
177.98972	1.2
178.99817	66.3
180.00133	2.3
185.02415	1.5
187.03970	7.5
189.01933	6.1
191.03506	1.6
197.02475	1.5
198.03197	1.6
199.03975	6.7
201.01854	4.2
202.99915	0.8
203.03502	5.9
205.01363	1.2
213.01917	2.3
214.02771	2.1
215.03493	16.1
217.01436	3.1
219.02869	3.7
225.01993	1.3
226.02574	0.8
227.03545	1.8
229.01419	2.7
231.03015	7.5
241.01498	1.4
242.02185	1.4
243.03006	16.3
244.03424	0.9
245.00931	3.1
258.01779	1.9
259.02515	15.3
269.01053	0.9
271.02521	13.6
271.05453	0.9
287.02023	35.4
288.02374	1.4
297.00534	1.7
299.02179	1.4
315.01514	82.9
315.16089	1.7
316.01962	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0152
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
63.02272	2.9
65.00204	3.3
65.31820	0.7
69.34642	7.6
75.52245	0.7
83.01258	1.8
89.00221	0.7
93.13060	0.7
105.03294	0.7
107.01307	4.4
109.02884	0.7
115.05437	1.8
117.03364	1.6
119.04870	0.7
124.01593	3.5
125.02374	6.0
131.04921	3.0
133.02864	1.1
135.00795	2.5
137.02380	0.7
141.03430	0.8
143.04987	4.2
145.02867	2.6
147.04453	0.7
148.01546	1.0
149.02370	4.5
151.00296	6.3
152.01100	1.3
157.02846	0.9
159.04459	6.2
161.02361	1.9
161.06017	1.1
163.00316	3.0
163.03957	1.2
164.01134	2.8
166.39314	0.8
169.02904	1.5
171.04472	4.4
173.02377	2.6
175.03983	3.8
177.02071	0.8
178.99811	2.0
183.04466	0.8
185.02383	1.8
187.03957	8.4
189.01938	2.0
191.03476	2.3
197.02487	1.2
199.04054	1.8
201.01932	1.9
203.03482	12.2
213.01959	7.5
214.02672	7.4
215.03479	9.0
217.01382	2.5
227.03384	1.6
229.01430	1.0
231.02948	4.5
232.03542	1.2
241.01414	4.2
242.02216	7.3
243.02983	11.9
258.01617	1.0
259.02536	21.9
259.05255	1.2
269.01068	1.8
270.01624	5.4
271.02545	38.0
287.02045	81.8
288.02417	3.8
297.00369	1.0
315.01541	100.0
316.02264	61.1
316.06149	0.6
332.82089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11556	0.4
55.09650	0.4
59.01244	0.9
63.02288	3.0
63.02560	0.6
65.00211	2.3
67.01773	0.7
70.43851	0.4
70.55368	0.4
70.90817	1.2
83.01267	1.2
89.00218	0.6
93.03345	0.5
95.01270	0.7
107.01305	3.0
109.02820	0.7
115.05390	0.9
117.03386	1.1
119.04917	1.1
121.02888	0.5
123.04433	0.5
124.01565	1.8
125.02356	5.2
131.04915	1.6
133.02863	0.9
135.00790	2.2
135.02893	1.4
135.04393	1.2
137.02357	1.1
141.03351	0.5
143.04935	2.8
145.02913	2.7
147.04483	0.8
148.01587	0.5
149.02379	3.5
151.00317	3.4
152.01135	0.6
155.04892	0.6
157.02943	0.7
159.04454	4.6
160.04750	0.6
161.02419	2.3
161.05937	0.5
163.00316	2.3
163.03989	1.6
164.01077	1.6
165.01866	0.4
169.02858	1.5
171.04456	3.9
173.02365	2.5
174.03122	0.6
175.03975	2.4
177.01814	0.6
177.05368	0.5
178.99779	1.2
185.02390	2.0
186.03172	0.7
187.03966	7.3
189.01888	1.7
191.03465	1.6
197.02388	1.3
197.04390	1.0
198.03165	0.8
199.04021	2.8
201.01906	2.2
203.03476	7.2
213.01903	6.4
214.02660	4.7
215.03493	8.5
216.03815	0.5
217.01384	1.4
219.02919	0.7
227.03589	1.1
229.01495	0.6
230.02252	0.6
231.02977	4.9
232.03656	0.6
241.01447	3.3
242.02223	4.8
243.03024	10.2
258.01752	0.8
259.02493	15.7
260.02856	0.7
269.00903	0.9
270.01843	2.8
271.02530	24.7
287.02032	74.3
288.02432	3.9
297.00357	1.1
298.01001	0.6
315.01526	100.0
315.16040	1.9
316.02246	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0729
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
58.28938	0.5
58.30769	0.5
59.01261	2.3
70.76869	1.6
70.90694	0.5
71.01276	2.8
72.99199	2.3
73.02815	0.7
75.00761	10.9
76.03643	0.5
77.95069	0.5
78.21252	0.5
80.48441	0.4
81.03364	0.7
83.01241	0.5
84.20353	0.5
85.02841	2.3
86.58326	0.6
89.02341	1.8
93.03391	0.9
95.01292	1.5
99.00784	0.7
101.02352	1.2
105.60930	0.5
108.02075	97.0
109.02875	39.7
110.03220	0.9
113.02335	1.0
117.05478	1.1
121.02841	1.0
122.89353	0.6
123.00813	0.8
123.04462	3.6
133.02866	1.3
134.03633	1.0
135.02917	37.3
135.04446	40.8
136.01561	0.5
136.03358	0.8
136.04764	1.6
151.03943	1.8
152.01089	75.5
153.01875	44.3
153.05418	2.7
154.02255	1.7
157.86249	0.7
161.02376	1.5
163.03947	1.2
165.01868	1.6
167.03419	1.1
179.03500	2.9
181.04929	0.7
191.07336	0.6
197.04518	6.1
285.06155	0.8
297.06229	2.3
315.07285	100.0
315.14502	4.2
316.07605	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	315.0728
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.48368	0.7
55.51574	0.8
59.01260	1.4
60.14370	0.8
69.99654	4.4
71.01262	3.2
81.03356	0.9
82.50211	0.9
85.02837	2.8
89.21983	0.9
89.70862	0.8
95.01298	1.8
108.02074	100.0
109.02867	32.4
113.02371	1.5
121.02869	1.3
122.01762	0.8
123.00824	1.9
123.04414	2.5
124.77723	0.8
133.02899	1.7
134.03641	1.0
135.02890	1.4
135.04411	5.6
145.02846	1.1
151.03944	1.6
152.01083	67.6
153.01880	30.2
153.05453	2.1
163.03922	1.7
256.63516	1.0
298.68640	0.9
315.07285	77.0
315.15958	3.5
316.07562	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	315.1092
Annotation	Taxicatin
Peak:m/z	Relative Intensity
52.64014	0.5
54.91844	0.5
59.01279	0.9
70.80878	1.1
107.81268	0.5
109.02856	1.4
122.03646	0.7
123.04437	80.6
124.04771	2.5
135.02921	1.2
142.78961	0.6
145.02866	1.1
153.01912	1.8
153.05510	100.0
154.05823	3.9
238.10724	0.5
315.07504	0.9
315.10867	3.9
315.16074	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0673
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
62.26273	1.0
65.00204	5.2
67.01784	1.7
69.03352	1.2
71.42572	1.3
83.01239	1.5
85.66045	1.1
85.78708	0.9
93.03300	1.2
95.01324	1.4
97.02883	1.5
97.44711	1.0
108.02064	3.3
108.72488	1.0
109.02848	5.5
117.03388	6.4
121.02842	2.9
122.06002	1.0
123.00743	1.3
123.04417	4.3
124.01525	1.6
128.23099	1.1
132.02135	1.4
133.02866	8.2
134.03661	100.0
135.04462	32.8
136.01607	3.3
136.07605	2.8
137.02357	8.2
145.02879	2.6
147.04448	2.8
149.02397	1.1
149.04851	2.2
149.06021	40.1
150.03157	3.0
150.06360	2.2
151.00308	1.4
151.03914	4.2
155.04938	1.5
159.04425	1.7
160.01582	3.3
161.02367	17.9
162.03189	14.1
163.03941	7.8
164.04666	2.1
165.05583	1.6
167.04881	1.3
171.04517	1.5
173.02376	1.3
174.03168	4.9
175.03925	1.4
177.05525	8.5
183.04465	1.3
184.05327	1.6
185.06056	7.4
186.06703	1.3
187.03963	3.9
190.02641	1.2
192.04243	8.7
193.05019	15.6
194.02101	2.8
194.05382	1.3
195.04561	1.3
204.04150	1.1
205.04826	1.7
207.06619	29.0
208.06885	1.3
211.03979	3.3
212.04739	7.3
213.05544	4.1
214.06342	27.8
227.07072	16.0
228.07513	1.3
229.05121	1.5
229.08676	13.7
239.08208	1.1
240.04320	4.2
241.05122	2.1
245.08055	2.9
255.11423	6.2
258.05365	53.6
259.05701	2.9
273.07742	69.0
273.12250	16.6
274.08038	4.1
317.02856	3.1
317.06665	29.6
317.10684	1.9
318.07031	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	319.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15078	0.4
52.15339	0.4
55.01781	1.6
59.01261	1.9
69.03328	0.8
71.01277	1.2
71.04903	8.9
71.58833	0.9
75.00783	0.5
93.03368	1.3
95.04916	18.0
96.05282	0.5
96.95911	0.6
97.02852	25.1
98.03194	0.5
99.00822	0.4
103.92724	0.4
109.02856	14.9
109.03607	0.7
115.03922	3.7
119.04931	0.7
121.02879	0.8
123.00842	0.8
125.02487	0.4
135.02899	1.1
137.02367	2.4
139.03934	65.5
140.04280	1.6
144.02979	0.4
145.02896	0.6
153.01868	30.0
154.02145	0.9
163.03905	0.7
164.03445	0.6
165.01894	10.9
166.02267	0.6
175.04005	0.4
183.02943	100.0
184.03239	3.2
202.05063	0.9
206.77792	0.4
319.04605	0.8
319.13449	0.4
319.22910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.083
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
50.62210	0.7
55.01757	0.8
57.03339	1.3
58.74840	0.7
59.01261	16.0
59.56185	0.7
59.96077	0.8
65.03849	1.5
69.03345	0.9
70.71004	0.9
71.01266	12.5
71.56738	1.2
72.99187	1.8
73.02829	4.6
75.00749	1.2
81.03333	2.2
83.01275	1.9
83.04916	4.6
85.02831	6.5
87.00816	0.8
89.02333	10.5
92.27507	0.8
93.03354	34.2
94.03674	1.0
95.01284	1.7
96.95913	1.1
99.00778	1.4
99.04389	1.2
100.11238	0.7
101.02350	11.2
109.02888	1.6
109.71849	0.8
111.04420	10.7
113.02338	7.4
116.02505	0.7
117.03374	4.9
119.03455	3.5
119.04941	89.8
120.05281	3.0
123.95412	0.7
124.87376	0.7
125.02367	1.0
135.04437	0.7
135.89719	0.8
137.02377	27.3
138.02744	1.0
143.03441	1.2
145.02879	20.9
146.03235	1.2
152.08727	0.8
155.03447	23.3
159.02913	0.9
161.04501	6.7
163.03951	100.0
164.04358	4.8
173.04561	2.1
275.10519	1.3
319.08301	22.1
319.12088	1.3
319.13876	1.3
319.17719	18.3
319.21805	2.6
320.08582	1.5
320.18109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0623
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
57.03341	5.6
59.01255	6.8
64.52546	2.4
67.01769	6.6
68.99712	3.6
69.03341	5.2
71.01257	9.5
71.36580	6.0
81.03340	10.7
83.01276	10.0
85.02840	26.8
93.03362	5.8
95.01277	9.9
95.04923	7.5
96.99208	3.3
97.02843	13.8
97.94679	2.7
99.00793	6.2
108.02129	3.4
109.02146	4.7
109.02863	72.1
110.03196	4.6
111.00790	48.7
113.02327	3.7
121.02865	16.1
123.00777	14.6
123.04432	17.8
124.01603	3.8
125.02365	82.7
127.00310	4.1
127.03940	4.5
128.03441	4.1
134.03656	6.9
135.04431	7.3
137.02356	43.1
139.00285	28.1
139.03931	8.8
140.01013	5.3
141.01868	28.7
146.04488	2.9
147.04427	6.5
149.02380	52.2
149.05997	5.9
150.03085	8.1
151.03915	9.7
152.01126	3.1
153.01875	100.0
154.47064	3.5
154.99770	16.8
159.04384	5.8
160.06137	5.8
161.02374	14.1
161.06023	5.0
163.03915	8.8
164.01064	3.3
165.01859	13.0
166.02567	7.8
167.03450	16.4
171.04457	5.1
172.05042	2.7
173.02382	3.3
174.03201	3.4
175.03964	15.9
177.01854	11.7
179.03438	4.0
181.01469	3.7
181.05014	8.4
187.03970	3.0
189.05522	10.5
193.01372	3.9
195.02974	7.1
199.03915	4.9
201.01930	4.6
203.03467	4.1
205.05035	8.8
213.05505	5.8
215.03522	3.8
216.04234	4.7
217.05038	18.2
231.03027	6.2
231.06544	5.4
233.04552	5.3
235.06012	5.6
241.05040	7.1
241.53467	2.9
259.06192	17.6
275.05637	10.6
285.04092	10.1
303.05121	25.9
304.05609	2.9
321.06207	70.0
322.06445	4.3
330.74033	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	321.0623
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
54.35954	3.7
55.01774	4.6
57.03337	6.1
58.90607	3.2
59.01262	5.0
67.01784	3.9
68.99696	3.6
69.03336	9.3
69.49921	4.0
70.87725	9.5
70.88080	3.3
71.01266	11.5
81.03342	14.2
83.01281	15.1
85.02840	26.2
90.76243	3.6
93.03345	11.0
95.01279	15.0
95.04904	7.5
96.99222	4.3
97.02854	15.2
99.00781	11.0
108.02123	3.6
109.02859	88.9
111.00781	53.5
113.02357	4.1
119.04871	4.7
121.02876	17.7
122.03683	3.8
123.00762	17.3
123.04469	22.0
124.01576	7.2
125.02362	80.8
127.00282	8.6
127.03896	4.5
135.04428	12.2
137.02379	43.0
139.00310	30.7
139.03922	10.2
140.01047	4.7
140.21756	3.5
141.01878	41.6
147.04446	9.2
149.02373	47.3
150.03169	8.4
151.00314	5.0
151.03885	11.5
153.01877	100.0
154.02260	3.9
154.99802	24.2
159.04492	5.6
161.02429	19.5
161.06003	6.4
163.03908	8.9
164.01146	3.7
165.01862	22.1
166.02603	3.4
167.03387	17.3
171.04434	6.4
173.06000	5.4
174.03249	5.0
175.03990	21.6
177.01897	18.7
177.05617	4.4
179.03456	5.7
181.01341	5.1
181.04991	8.0
188.04779	3.8
189.05484	10.7
191.03442	5.7
193.01321	4.0
194.02188	5.3
195.02911	6.1
199.03841	4.3
203.03429	6.3
205.05066	10.6
213.05580	6.1
216.04295	6.1
217.05075	21.2
231.06601	7.0
233.04532	5.6
235.06104	4.7
241.05023	9.3
257.04501	4.9
259.06088	9.6
275.05515	4.7
277.07260	4.3
285.04028	11.6
303.05237	30.6
305.18402	3.3
321.06226	76.9
322.06516	4.3
339.17914	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	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03331	0.7
58.00481	1.0
59.01261	28.7
64.61794	0.3
69.03336	0.6
69.51340	2.5
71.01267	15.8
72.99189	2.3
73.02831	1.2
83.01263	1.8
85.02834	4.1
87.00769	1.2
89.02332	12.9
94.97806	0.3
95.01270	1.4
96.95898	0.6
98.19836	0.7
99.00788	0.6
101.02340	11.7
101.03017	0.6
109.10696	0.4
109.48543	0.4
111.08039	0.4
113.02352	5.9
113.09626	19.8
114.09955	0.6
119.03417	5.2
131.03381	0.6
135.04465	1.0
141.09134	4.9
141.55417	0.4
143.03458	0.8
143.10716	1.1
155.10686	2.7
157.08684	0.4
157.11996	0.4
159.10204	54.4
160.10582	1.8
161.04492	0.8
163.14755	0.4
179.03435	0.4
179.05579	0.7
201.11316	2.0
282.13815	0.4
321.15588	100.0
322.15982	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
57.03333	1.3
58.00474	2.7
59.01263	66.5
62.73141	0.7
62.77982	0.8
71.01270	40.8
71.04907	1.1
71.56898	1.4
72.99203	4.4
73.02840	1.5
80.63654	0.7
83.01270	2.0
85.02843	8.4
87.00739	1.4
89.02336	35.0
90.02667	0.9
95.01273	2.7
96.95907	2.3
100.43607	0.7
101.02344	28.8
101.03018	1.6
109.02877	1.2
111.06284	0.8
111.60551	0.8
113.02349	14.6
113.09654	1.9
119.03423	17.8
121.40319	0.8
131.03459	1.3
135.02962	0.9
137.02335	1.0
141.09145	12.7
143.03481	1.5
148.00812	0.8
149.04559	1.1
159.02956	1.1
159.10234	5.7
161.04568	1.0
167.34096	1.0
179.05539	1.1
179.30455	0.8
236.41319	0.7
321.15601	100.0
322.15915	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	321.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01600	1.2
61.98725	0.4
65.19756	0.4
65.74918	0.3
70.55903	1.4
71.01275	2.9
73.02827	0.4
80.96397	0.5
83.01244	0.5
85.02834	1.1
85.26392	0.3
88.48262	0.4
89.02351	1.3
96.95940	1.0
99.04469	0.4
101.02319	2.0
113.02376	0.9
117.12886	0.3
119.03445	0.7
125.02467	0.4
128.03323	0.4
128.63834	0.4
132.94279	0.4
135.04477	0.4
161.04517	1.0
261.13434	2.4
319.26321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47710	0.9
59.01263	11.5
66.27982	0.9
69.86605	4.1
69.87020	1.9
71.04900	2.2
77.28911	1.0
77.70782	0.8
95.01293	1.6
95.04895	2.6
97.06459	1.4
98.20409	1.3
106.04144	1.3
106.17221	0.9
109.02861	1.0
109.06468	3.3
111.04427	3.2
112.95182	1.1
115.07574	1.1
121.06483	1.4
123.08083	1.0
125.09627	0.9
133.34039	0.9
137.05962	1.4
145.06569	1.2
147.08139	1.7
148.08855	2.3
149.09665	2.1
150.10475	1.4
151.11189	1.8
163.11234	24.0
164.11607	1.1
165.12779	4.1
174.10510	1.1
175.11205	1.3
177.09096	1.8
177.12843	2.3
181.74216	0.9
187.11241	0.9
187.75546	1.0
189.12732	1.2
191.14389	41.4
192.14729	2.5
193.12280	2.5
194.22112	0.9
205.12311	5.6
217.15953	4.1
217.21555	0.8
227.18179	1.1
234.02100	1.0
235.13377	1.2
236.13170	1.0
237.11232	1.1
245.19148	30.0
245.21666	1.4
246.19467	2.5
271.17120	7.4
287.16528	1.3
289.18152	100.0
290.18475	10.8
307.19223	1.4
321.20755	73.5
322.21060	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	321.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55209	2.1
52.38485	1.9
59.01260	13.4
61.33683	1.9
62.39393	2.0
67.16666	2.0
71.01264	2.9
71.57491	2.2
78.95795	2.8
81.45641	2.3
89.79931	2.7
104.97286	2.0
121.20008	2.0
141.01678	2.2
181.26505	2.1
195.13885	9.8
214.91333	2.2
223.13358	7.6
256.13193	3.3
275.20148	27.3
276.20245	2.2
293.21295	100.0
294.21646	5.8
321.17322	2.3
321.20963	2.7
321.24493	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2441
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
57.03310	0.5
59.01252	1.6
59.06456	0.4
69.04156	0.5
70.00906	0.8
70.01321	1.8
76.11524	0.4
78.95794	0.8
86.20444	0.5
96.98982	0.4
172.27109	0.4
195.13881	1.1
207.17526	1.1
223.17043	11.2
224.17557	1.8
233.15421	1.7
233.19177	0.5
239.16638	1.1
251.16577	13.2
252.16943	1.4
256.16837	2.4
267.16061	1.0
284.16400	3.3
293.25098	0.5
303.23349	8.6
304.23654	1.2
321.24408	100.0
322.24747	13.2
322.28540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2029
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03343	0.3
57.43219	0.2
58.02859	1.9
58.24157	0.2
59.01261	2.4
69.28358	2.3
72.03674	0.2
81.03366	0.6
95.04929	0.8
97.06511	0.6
98.19695	0.4
107.15821	0.2
109.06460	0.5
125.05936	0.2
125.09640	0.2
128.10724	7.5
128.11659	0.5
130.08655	100.0
130.86487	0.2
131.09007	2.6
146.06509	0.2
151.62299	0.2
165.12805	1.1
171.10356	0.2
172.09700	0.4
191.67749	0.2
209.11813	0.8
244.29546	0.2
261.18686	0.2
292.31058	0.2
305.17639	0.3
322.20270	38.4
323.20853	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	323.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17010	0.4
55.01771	1.1
57.03340	1.5
58.00480	3.8
59.01263	95.8
60.01591	0.6
65.54097	0.4
69.96612	2.0
71.01270	53.5
72.01606	0.8
72.99193	6.2
73.02843	1.8
78.48700	0.6
81.22864	0.5
83.01279	2.3
83.85302	0.5
85.02841	9.4
87.00764	2.5
89.02336	49.6
90.02681	1.0
92.47632	0.5
95.01281	4.1
96.96862	0.6
99.00794	1.4
99.04433	0.6
99.08019	0.5
101.02346	35.2
113.02354	21.0
114.02697	0.6
117.01888	0.7
119.03418	24.6
120.03730	0.6
125.02380	0.6
131.03416	1.6
143.03458	2.8
149.04510	1.6
161.02393	0.8
161.04475	3.0
179.05556	2.3
217.90002	0.4
234.09981	0.5
323.13535	100.0
324.13910	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	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.6
56.07451	0.7
58.00473	4.1
59.01265	78.2
60.01600	0.9
69.98904	0.7
70.93395	2.3
71.01270	40.9
72.99197	3.3
73.02828	1.4
74.56011	0.8
79.72394	0.8
83.01276	2.6
85.02843	9.3
87.00784	1.0
89.02336	39.4
95.01283	3.5
101.02345	25.3
111.78010	0.7
113.02350	15.1
118.84003	0.8
119.03416	18.6
131.03456	1.3
143.03461	2.0
149.04495	1.0
160.59596	0.9
161.02341	0.8
161.04541	2.2
176.42374	0.9
179.05609	2.5
323.13535	100.0
324.13898	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	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
58.00472	3.6
59.01261	100.0
60.01595	1.2
62.68762	1.1
63.23609	0.9
70.59911	1.8
70.60242	1.2
71.01266	42.9
72.99188	4.4
73.02838	1.3
78.95798	3.4
83.01279	1.7
83.54625	1.0
85.02829	9.8
89.02335	45.2
90.02695	1.5
95.01263	2.4
96.29504	0.9
96.96861	1.5
99.00763	1.6
99.04362	0.9
101.02335	29.2
112.51845	0.9
113.02354	16.7
117.01807	1.3
119.03413	20.6
125.02377	1.1
131.03439	2.2
137.16605	0.9
143.03455	2.1
143.07034	1.4
149.04503	1.1
161.04471	3.0
179.05537	3.5
263.11441	1.5
323.13516	99.0
324.13788	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	323.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87405	0.6
59.01263	100.0
62.76535	0.6
70.33545	1.4
70.33935	1.7
71.01259	7.0
71.01552	0.6
73.02829	1.4
80.53445	0.6
83.01311	1.0
85.02859	2.2
89.02350	2.5
101.02348	4.3
101.06013	1.7
113.02381	3.3
119.03445	1.2
143.03453	0.7
152.93089	0.7
161.04515	4.7
263.11288	4.3
323.13501	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	323.187
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03334	12.5
59.01265	100.0
64.19927	4.0
69.03369	3.8
69.36724	41.4
71.01271	7.9
71.04902	31.6
80.99291	4.3
83.04889	4.8
85.02773	4.7
95.04921	27.1
97.06454	7.7
98.19794	7.7
99.04382	5.0
106.04115	10.5
107.04929	9.5
109.06499	25.0
109.62284	4.1
113.02314	4.4
115.07561	5.2
120.05704	5.2
121.06496	10.0
122.03683	4.7
122.89571	4.4
123.04414	8.7
123.08076	7.0
125.09621	16.6
135.08087	29.8
147.04453	6.9
151.07588	11.3
151.11247	5.8
161.05936	4.3
165.09207	7.2
171.10243	9.4
185.11816	27.0
189.12750	16.4
199.09735	5.5
205.15923	7.6
207.10233	7.3
209.11812	8.4
225.11385	6.0
233.12103	4.1
237.14987	61.7
238.05284	4.7
243.17572	21.9
249.14999	13.1
279.19641	10.7
287.16705	47.2
305.17703	72.3
305.21240	10.4
323.18591	20.0
323.22443	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	323.1869
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03333	3.9
59.01265	37.3
63.03913	1.5
69.03342	1.8
70.63479	1.3
71.01265	4.2
71.57282	2.6
73.02836	1.2
75.19937	1.1
83.04923	1.7
85.02845	2.6
89.02347	1.8
93.03351	3.8
95.01270	2.6
95.04917	1.9
97.02823	2.0
97.06469	1.6
101.02319	1.7
107.04940	8.6
108.02077	1.7
109.02904	1.3
109.06501	8.6
111.00758	2.6
111.08047	2.3
113.02341	2.7
121.02879	1.9
121.06495	3.7
123.08060	9.8
125.09674	7.4
127.07579	1.5
127.11179	1.8
133.06522	18.5
135.04433	3.8
135.08118	1.3
139.07549	3.1
139.11177	2.6
141.09117	1.8
151.04021	1.9
151.07587	84.6
151.11176	3.5
152.07854	1.7
153.09151	5.7
155.10710	2.0
158.38686	1.2
167.10669	2.3
169.08653	11.6
169.12192	1.3
171.10220	100.0
172.10541	4.6
177.09088	2.1
179.10689	2.9
185.11826	1.9
185.36874	1.4
186.60583	1.4
189.12788	3.8
195.10187	1.3
196.67973	1.3
201.11304	3.9
205.12094	1.4
207.13976	1.7
209.11752	2.4
215.12694	1.8
222.09023	1.4
224.10475	3.2
233.19066	1.6
239.09242	5.0
243.17575	21.8
244.17915	2.3
251.54623	1.4
261.18750	8.4
279.19711	3.2
287.16617	18.4
291.19473	1.5
305.17664	68.3
306.17932	4.5
323.18649	11.8
323.22327	2.5
324.18756	1.6
336.03992	1.2
343.38391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.0
59.01265	13.3
63.31396	0.7
69.03342	1.7
70.48825	2.9
71.01258	1.5
71.04912	1.0
80.02554	2.4
81.03350	1.8
83.01282	0.7
83.04912	8.0
84.02065	1.5
84.50683	0.7
85.02832	1.6
87.04443	0.6
93.03360	1.1
95.04923	3.7
97.02856	1.6
97.06477	3.3
99.04441	1.8
107.04929	15.0
109.02859	1.1
109.06512	4.4
109.34183	0.8
110.03657	1.9
111.04420	1.4
113.05970	1.6
115.07635	0.9
122.03677	1.1
123.04451	1.8
123.08092	1.8
125.02349	2.6
125.06019	4.0
125.09632	8.2
135.08080	7.2
147.04424	0.8
151.07603	1.8
153.09154	11.7
154.09489	1.3
161.04364	0.9
163.11209	7.4
165.12755	4.9
171.10213	2.3
176.08374	3.0
177.09190	1.1
178.09959	3.3
179.10724	1.0
181.12242	1.6
185.11781	3.0
185.13364	0.8
189.02945	0.7
189.12845	0.8
191.10715	2.8
197.11816	12.1
207.10260	6.7
209.11812	100.0
210.12114	4.8
225.11276	8.0
236.10562	1.7
243.17529	2.5
245.15483	1.1
253.10738	1.9
261.18643	5.8
263.16522	1.8
269.15567	1.5
277.18152	1.8
279.19772	4.9
287.16577	9.8
294.62741	0.7
305.17636	91.6
306.17993	6.7
323.18652	15.6
323.22153	1.1
324.19070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.0
57.03316	6.8
59.01255	7.5
69.03333	4.4
69.38728	9.5
69.39157	5.2
71.04902	11.2
81.03345	7.3
83.01280	14.6
83.04908	7.0
85.02847	1.8
87.04362	2.0
93.03363	2.7
95.04921	23.2
97.02818	5.5
97.06493	14.8
99.04395	3.9
102.53671	1.5
107.04864	2.3
109.06477	4.7
109.78513	1.5
111.04429	2.6
111.08057	1.8
113.05956	3.5
115.61201	1.5
120.05684	2.2
120.88425	1.6
121.02814	3.3
123.04398	6.4
123.08044	5.9
125.05917	3.5
125.09628	26.5
128.93356	1.8
135.08084	15.3
137.05952	1.8
137.09470	1.9
149.09637	2.5
153.09119	3.5
160.08868	1.5
161.09595	2.4
163.11195	7.3
165.12735	3.8
167.10646	3.1
185.11797	22.8
189.12775	3.9
191.10730	4.3
203.14391	8.9
207.10237	1.7
209.11803	100.0
210.12048	3.1
211.13454	3.8
221.11810	3.5
221.15440	1.8
225.11374	2.2
233.11668	1.8
235.13354	3.2
237.14911	6.6
243.17523	7.3
247.13335	8.5
249.14917	3.0
251.12941	1.9
261.18634	2.3
265.14462	28.7
283.40442	1.7
287.16635	9.2
305.17609	22.1
306.17810	1.9
323.15173	3.0
323.18665	40.7
324.18915	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	323.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.5
57.03135	1.3
57.03336	14.6
59.01264	23.2
65.03822	2.6
65.31948	1.5
67.01767	3.0
69.03337	6.9
71.01263	4.2
71.02030	1.5
71.04907	19.9
71.29859	4.0
73.02824	1.8
80.02544	2.2
81.03337	5.4
83.01269	9.0
83.04913	11.8
84.02032	3.4
85.02848	4.0
85.06474	1.9
87.04354	1.9
93.03370	4.5
95.04912	33.1
97.02863	2.8
97.06486	20.8
99.04414	2.7
101.05959	3.5
106.04121	2.9
107.04935	3.6
109.02834	3.1
109.06521	12.2
111.04434	5.9
111.08047	1.8
113.06001	19.0
116.92738	2.1
119.04921	2.5
121.06550	4.3
122.03646	2.8
123.04415	6.3
123.08066	4.9
125.05995	4.9
125.09637	18.3
135.08076	16.6
137.06059	1.7
137.09651	2.1
147.11716	1.8
149.09680	4.8
151.07623	2.3
151.11208	6.7
153.09108	3.8
161.09639	2.8
163.11226	9.4
165.09198	2.2
165.12819	13.3
167.10710	4.7
171.10185	6.4
173.09612	1.9
177.12772	2.9
179.10704	3.5
181.12305	11.2
185.11797	16.9
189.12766	7.3
191.10704	8.5
193.12271	2.4
193.16006	1.7
195.13841	3.7
203.10736	3.1
203.14395	6.6
205.15779	2.0
207.10252	7.2
207.13812	2.8
209.11815	100.0
210.12077	7.4
211.13332	5.1
221.11824	4.3
221.15477	2.4
223.13675	2.6
225.11320	4.8
231.14014	2.0
233.11858	2.9
237.14963	64.3
238.15375	4.8
243.17535	11.3
247.13390	9.7
249.14946	5.8
261.18668	3.8
265.14487	20.0
270.17795	1.5
277.18140	2.2
279.19638	2.0
287.16608	30.9
288.16891	3.7
305.17633	49.9
306.17996	4.7
323.18707	41.6
324.19025	3.9
333.91696	1.9
335.99081	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	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01250	4.9
70.45747	3.4
71.01237	1.3
71.04903	3.2
80.02564	2.4
81.03342	1.5
81.20573	1.1
83.04907	8.5
84.02062	1.5
85.02821	1.1
91.45744	0.9
93.03354	1.7
95.04903	2.4
97.02851	1.5
97.06480	3.2
99.51809	0.9
107.04935	13.2
109.06481	3.4
110.03643	1.7
113.06042	1.3
117.11095	1.2
118.77298	1.1
121.02852	1.8
123.04444	2.8
123.08089	2.0
125.02346	2.1
125.05975	3.3
125.09632	7.8
133.06462	1.2
135.04512	1.1
135.08067	4.6
137.05978	1.1
151.07603	5.4
153.09148	13.6
163.11186	5.9
165.12798	3.8
171.10237	6.2
176.08333	2.4
178.09937	2.9
181.12312	2.4
185.11778	2.3
191.10823	2.1
197.11832	10.5
207.10262	7.2
209.11812	100.0
210.12146	4.6
225.11371	7.4
236.10532	3.1
242.40091	1.1
243.17557	2.9
247.22864	0.9
254.02808	1.0
254.11678	2.5
261.18610	7.5
263.16519	1.6
269.15646	1.4
277.18109	1.5
279.16537	1.0
279.19629	3.3
287.16583	12.9
288.17145	1.2
305.17642	93.7
306.18057	6.6
323.18674	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	323.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86900	1.0
57.03338	2.5
59.01260	10.9
69.03343	1.7
70.89576	1.3
70.89908	1.9
71.01284	1.7
71.04910	3.2
71.09962	1.0
79.59756	0.9
80.02560	2.3
81.03357	2.4
83.01282	2.3
83.04920	7.6
84.02077	1.3
84.76060	1.0
85.02843	1.3
88.98688	1.1
93.03333	2.1
95.04900	9.7
97.02827	1.8
97.06482	7.3
98.89069	1.0
106.04166	1.8
107.04935	10.2
108.02094	0.9
109.02864	1.5
109.06522	3.4
110.03629	2.2
111.04453	1.6
111.08032	1.6
113.05993	3.0
115.07552	1.1
121.02882	2.0
122.03618	1.4
123.00798	0.9
123.04440	3.3
123.08054	2.5
125.02365	2.7
125.06009	4.5
125.09636	12.6
127.07539	1.2
130.08656	1.0
135.08070	10.8
137.05988	1.9
137.09593	1.3
137.19360	1.1
151.13951	1.1
153.09143	12.9
163.11221	7.9
165.12761	3.9
167.10780	1.3
171.10179	1.2
176.08388	2.6
178.09979	2.4
181.12288	2.7
185.11772	8.5
189.12735	1.3
191.10768	3.6
193.94379	1.0
197.11792	9.3
203.14401	1.6
207.10190	7.4
209.11809	100.0
210.12189	5.7
211.13211	2.4
221.11800	1.4
225.11299	9.3
227.12816	2.2
233.11642	1.8
236.10588	2.4
243.17543	3.9
245.15446	1.4
247.13419	2.7
250.04372	1.0
251.16689	1.2
253.10844	1.4
261.18677	5.0
263.16708	1.5
265.14493	6.8
277.18030	2.2
279.19711	4.8
287.16492	11.2
305.17633	92.6
306.17969	8.6
323.18652	30.4
324.19028	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	323.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52163	1.6
53.56762	2.1
53.88820	1.8
57.03343	11.1
59.01266	20.3
61.21680	1.7
69.03330	4.2
71.01272	14.5
71.04909	9.6
71.57101	2.8
80.02584	2.6
81.03350	4.3
83.04898	6.1
84.02055	1.7
85.02854	2.0
86.30109	1.9
87.24529	1.9
93.03366	2.5
95.04916	6.8
96.28496	1.9
97.06493	10.1
99.04417	2.5
100.51107	1.9
107.04904	6.8
109.06499	13.1
111.04437	3.5
111.08064	4.4
113.06012	3.5
123.08046	2.7
124.71906	1.9
125.09620	5.6
135.04399	2.8
135.08057	5.0
149.09593	2.8
151.07600	12.7
151.11208	19.2
153.09123	2.5
153.12793	3.8
155.10786	2.1
161.09596	1.9
163.11201	5.9
165.12790	20.2
167.10736	4.2
171.10233	15.6
175.55260	1.7
179.10770	9.0
181.12299	42.5
182.12654	1.7
189.12836	5.3
191.10774	18.3
195.10223	2.3
203.14366	6.0
207.10059	2.6
208.34009	2.3
209.11824	100.0
210.12180	6.3
211.13470	4.5
211.37692	2.2
225.11272	5.0
227.12860	3.2
235.13351	2.1
237.15044	2.2
243.17635	11.3
247.13379	4.4
247.77061	2.1
249.15063	2.4
261.18655	2.4
265.14468	3.2
267.52087	2.0
277.18155	3.0
287.16641	10.4
295.19183	2.7
305.17642	23.0
323.18713	23.8
324.19064	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1869
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.18155	1.9
54.33820	2.4
57.03333	14.0
59.01262	63.2
65.03862	1.9
69.03342	9.7
71.01261	7.6
71.04892	18.3
71.36176	4.1
77.18441	1.9
80.02559	2.4
81.03339	19.0
83.04913	11.3
84.02058	4.8
85.02822	3.8
93.03358	3.2
93.06956	2.5
95.01302	2.5
95.04924	52.8
97.02845	5.3
97.06454	12.1
99.04400	10.7
101.02340	3.1
106.04186	2.3
107.01287	2.9
107.04913	6.7
109.02894	2.5
109.06498	31.9
111.08007	2.4
113.02401	1.9
121.02883	2.5
121.06494	5.4
122.03622	7.2
123.00961	2.3
123.04399	2.8
123.08052	8.2
125.02375	4.8
125.06025	2.8
125.09629	14.7
127.07501	3.1
132.26601	2.3
133.06519	27.3
135.00807	7.1
135.08069	26.7
136.05276	2.1
137.02328	4.1
137.09627	3.8
142.55637	2.4
149.09698	4.9
151.07578	21.0
151.11259	2.5
153.09143	4.2
158.65146	2.0
163.11221	7.0
167.10674	3.0
171.10211	71.9
171.11659	4.3
172.10548	3.7
175.11287	2.8
177.12801	2.5
178.09978	6.9
179.10677	2.4
179.14380	5.6
184.16238	2.1
185.11667	9.6
189.12898	9.8
195.10274	3.5
195.13919	4.9
197.11899	2.4
205.12349	2.9
207.10236	9.7
209.11774	11.3
211.13326	2.7
214.96535	25.0
217.33720	1.8
223.13396	78.1
224.13799	3.7
225.11539	2.3
233.11830	5.6
236.10558	3.2
243.17543	25.5
247.13170	3.8
249.14926	13.0
250.15271	2.4
261.18671	5.0
263.11285	2.8
263.16602	3.9
265.14462	18.2
269.15530	2.8
277.18097	3.5
287.16595	100.0
288.16833	6.7
305.17642	66.9
305.20880	1.4
306.18008	5.0
323.02237	4.7
323.18640	28.2
324.18961	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	323.187
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.02559	1.2
57.03326	3.7
57.22570	1.2
59.01263	30.2
60.57322	1.2
71.01251	1.5
71.55779	2.6
71.70517	1.3
80.02564	5.0
81.03336	1.6
83.04913	5.5
89.80957	1.2
91.05421	2.7
95.04916	5.1
97.02847	4.1
97.06488	57.1
106.04128	3.2
109.06494	44.8
110.03634	2.1
110.06844	2.4
117.07020	3.1
119.04971	2.3
120.05677	1.8
121.06518	2.5
123.04463	1.5
123.08057	4.3
125.08743	2.7
125.09638	49.4
126.09933	3.0
135.07030	2.3
135.08063	24.7
142.02652	2.0
151.07599	1.6
153.09145	2.2
161.04669	1.5
161.06024	34.2
161.09639	2.0
162.06302	3.0
163.11244	9.6
169.08691	1.7
181.12302	7.0
185.11780	5.8
189.09309	1.8
207.10242	40.8
209.11760	4.8
223.13344	3.9
225.11322	36.4
226.11882	2.9
235.13535	1.4
243.17607	3.9
247.13210	2.0
261.14923	5.1
261.18521	3.2
263.11322	1.5
265.14529	3.3
269.15509	3.1
277.18143	5.7
279.16064	56.5
280.16388	3.9
287.16562	23.8
288.16794	2.8
305.17642	100.0
306.17957	9.3
323.18716	12.2
324.18967	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	323.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
59.01261	33.2
71.01257	3.1
71.04895	2.6
71.56663	1.1
81.03369	1.5
83.04924	4.6
84.02046	1.0
89.02334	1.9
90.41639	0.9
95.04919	2.6
97.06496	2.3
101.02356	1.4
107.04925	1.8
109.06467	1.4
111.08072	7.8
113.02343	2.0
113.09593	1.0
115.07551	1.5
121.06478	1.4
123.04434	1.0
123.08080	2.0
125.02399	1.1
125.09664	2.4
127.07527	2.0
133.06529	1.1
133.51660	1.0
137.09651	2.0
139.11195	1.1
144.98674	0.9
149.09647	4.4
151.07607	1.8
151.11226	3.1
153.09018	1.1
157.08665	1.1
161.04436	1.5
167.10693	3.4
171.10265	4.5
177.09088	1.4
177.12740	1.6
183.10159	1.7
195.10257	17.9
195.13847	3.8
207.10265	3.4
207.13930	1.2
209.11806	3.0
219.54721	0.9
221.11798	4.0
222.08958	1.1
222.12585	2.3
223.13411	1.2
225.11322	3.1
225.14943	2.9
227.12923	2.8
235.17000	1.4
238.12149	2.4
243.17574	1.2
247.20760	2.5
253.14470	2.3
254.11684	2.3
261.18677	2.4
273.18707	2.6
279.19769	4.1
287.16541	1.9
291.19724	41.7
292.20068	3.3
305.17615	22.8
305.21271	5.4
306.17877	1.9
306.31436	1.0
323.18805	5.6
323.22321	100.0
324.22641	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	323.2234
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.70130	0.8
57.03326	3.4
59.01262	23.2
69.03355	1.8
70.64082	2.1
71.01273	2.3
71.04901	2.9
81.03350	3.1
83.04921	1.1
84.02039	1.8
85.02846	0.9
89.02360	0.9
95.04909	4.5
95.46913	0.9
97.06474	3.4
99.04442	2.4
101.02324	1.6
106.04139	1.6
107.04955	2.0
109.02866	2.8
109.06470	2.1
111.08108	1.3
113.02346	1.8
113.05992	1.6
113.09585	1.4
115.07545	6.1
119.08579	1.1
121.10145	2.4
123.08076	1.4
125.09631	2.1
127.07550	3.7
133.06610	1.0
135.08064	2.8
137.09647	10.0
149.09657	2.3
151.07596	1.8
151.11206	7.8
153.09145	1.8
163.11235	3.6
169.12291	1.4
171.10239	5.2
175.11243	1.4
177.12773	1.4
179.10704	1.1
183.10233	1.1
185.11835	2.4
193.12352	5.2
197.11787	3.4
199.13362	1.6
203.10764	2.3
207.10220	7.3
207.12047	1.6
209.11827	2.4
211.13374	1.3
215.12958	2.4
221.11847	8.6
223.13388	1.3
225.11382	7.1
225.14928	10.1
226.11734	1.2
226.15202	1.2
227.12936	6.0
229.19608	2.5
235.13373	1.7
235.20757	1.0
238.12210	1.8
253.14514	11.7
254.15144	3.5
261.18573	1.7
263.11069	1.2
273.18634	4.5
279.19696	7.5
291.19714	19.5
292.20078	1.6
305.17618	5.8
305.21286	21.3
306.21619	2.3
312.89053	1.1
323.18918	4.8
323.22314	100.0
324.22559	10.2
345.40784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2234
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
56.40495	0.5
57.03314	2.1
59.01237	2.0
59.73473	0.5
62.24323	0.6
65.26854	0.6
65.70330	0.5
69.03320	0.5
71.07526	1.3
83.04900	0.9
86.96138	0.6
97.06420	0.6
107.04882	1.1
111.08033	1.0
123.08013	0.7
123.18188	0.6
125.09608	1.7
132.35306	0.6
141.09111	0.7
153.09126	0.6
163.11253	1.4
165.09149	0.7
165.12788	7.8
166.09935	0.5
167.10686	0.5
181.12300	1.6
183.13905	0.9
191.14461	1.3
193.12280	2.3
209.11752	1.3
213.33745	0.6
217.15970	1.3
239.12964	0.8
247.20685	3.8
263.20163	0.8
273.18692	4.1
291.19714	84.3
292.19989	5.8
305.21298	0.9
308.11276	0.6
308.19952	5.0
323.22324	100.0
324.22693	8.4
328.67325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2233
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
57.19838	2.7
59.01264	89.6
70.96315	6.3
70.96656	2.9
71.01263	8.5
73.02782	2.8
85.02841	3.3
89.02315	4.0
95.04881	3.2
97.06513	3.0
99.79100	2.6
101.02344	5.7
111.08053	4.5
113.02387	4.2
125.06054	6.8
133.02951	3.1
141.92116	3.0
143.07101	7.2
149.13350	3.6
151.07617	7.6
161.04520	7.2
163.11145	2.9
170.58907	3.1
171.10228	12.6
177.12772	2.8
192.45190	2.4
193.12311	37.7
194.12955	4.9
197.11829	17.8
209.11856	4.2
221.11899	16.5
222.12569	5.4
223.37830	3.1
225.11511	3.4
225.14906	11.5
227.18184	2.7
229.19629	10.7
243.17607	3.2
254.11642	6.6
273.18713	23.9
274.19098	3.8
279.19681	3.3
287.16748	5.2
291.19705	100.0
292.19998	12.5
294.80865	3.0
300.85965	3.1
305.17700	15.3
323.18631	6.9
323.22256	59.3
324.22748	8.8
341.18573	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	323.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28667	0.5
57.03341	0.7
59.01242	1.0
69.03313	0.5
71.33731	1.0
71.34085	0.7
75.99309	0.5
77.89136	0.5
84.75483	0.5
95.04913	0.8
95.94905	0.6
97.02862	0.8
123.08097	1.0
123.64757	0.6
123.66230	0.7
125.09637	3.7
127.07616	0.8
140.52785	0.6
163.11224	3.4
165.09148	1.1
165.12752	0.6
177.12779	0.9
181.12297	2.1
197.11804	4.4
207.10292	0.8
221.11826	3.1
239.12924	3.0
240.13701	0.6
247.20580	0.8
273.18628	0.9
291.19733	9.9
292.20239	0.9
305.21329	1.9
307.19260	1.8
308.19977	6.3
309.20389	0.5
323.22333	100.0
324.22650	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	323.2597
Annotation	15(S)-HEDE
Peak:m/z	Relative Intensity
59.01262	34.9
65.12447	1.0
65.22961	0.9
71.01248	4.0
72.68646	1.0
85.02837	1.5
89.02347	1.3
96.95889	1.1
98.20655	2.3
101.02345	1.8
113.02336	1.3
113.09641	2.2
115.03935	0.9
137.09659	3.0
161.04482	1.6
171.10005	1.0
204.23326	1.0
209.11845	2.3
214.85620	1.1
223.17050	15.3
224.17352	1.2
263.11444	2.6
305.17670	2.5
305.21521	1.5
305.24918	17.6
306.25018	1.6
323.22647	5.0
323.25949	100.0
324.17099	1.1
324.26172	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	325.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	3.0
59.36741	0.5
60.02806	0.6
60.18343	0.5
64.09016	0.5
67.24388	0.6
70.89577	1.5
71.01276	1.5
72.99225	1.2
73.02834	1.4
75.00758	12.5
80.36255	0.5
81.03347	1.9
83.31049	0.6
85.02820	0.9
87.00757	2.4
88.97482	0.6
93.03326	0.8
97.02825	0.7
99.04446	1.0
100.63043	0.7
109.02869	3.0
111.14802	0.6
116.09412	0.6
119.04940	69.8
120.05251	2.2
121.22501	0.6
123.04444	0.9
125.02336	1.0
133.02885	1.0
137.02361	0.8
143.03450	2.9
145.02873	0.8
149.04454	1.2
161.04510	4.5
163.03947	100.0
164.04295	4.1
174.20219	0.5
177.01837	0.8
179.05573	40.2
180.05884	1.2
203.05362	0.7
203.07135	1.3
205.05025	0.8
245.08235	1.8
289.07199	10.3
290.07733	0.7
325.09210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.1
68.99670	0.8
69.09162	0.7
70.91297	2.1
71.01263	1.4
71.04872	1.5
72.99193	2.0
73.02844	2.2
75.00758	32.7
76.01109	0.8
81.03345	2.5
82.15337	0.7
87.00774	2.9
99.00797	3.9
99.04417	1.9
117.03422	0.7
119.04943	17.6
120.05238	1.0
126.97773	0.7
127.12542	0.6
131.03452	2.3
134.03651	3.0
143.03442	9.6
149.04492	7.4
149.05731	0.8
161.04495	4.8
163.03941	24.5
164.04356	0.8
178.02658	0.8
179.05566	100.0
180.05911	2.8
183.24451	0.8
193.05042	2.9
223.17299	0.7
283.85294	0.7
325.09256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65146	0.2
57.12576	0.2
58.91544	0.3
59.01279	0.4
64.80161	0.3
69.76756	1.8
86.73218	0.3
98.19812	0.3
109.02811	0.3
114.01724	0.3
116.80978	0.3
117.03371	0.5
118.96499	0.3
119.04941	100.0
120.05272	3.8
145.02864	1.2
147.04431	0.3
163.03951	98.4
164.04280	4.2
178.48549	0.3
289.07178	0.3
309.62967	0.3
325.09244	1.0
332.95819	0.3
340.42154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	0.2
57.03337	0.4
59.01252	1.5
60.58194	0.3
67.35476	0.2
69.03329	0.2
70.90463	0.3
70.90797	0.5
71.01267	1.7
71.04909	0.6
72.99203	0.5
73.02825	1.6
75.00763	3.5
81.03339	2.0
83.01264	0.5
85.75150	0.2
87.00773	0.7
93.03356	0.9
95.04920	0.3
97.02843	1.0
99.00779	0.7
99.04425	1.2
109.02855	4.2
116.77253	0.2
117.03353	0.4
119.04936	52.0
120.05260	1.8
121.02869	0.9
122.03632	0.3
123.04451	2.6
125.02363	3.3
131.03394	1.4
133.02866	0.4
134.03664	1.9
135.04433	0.9
137.02368	2.3
139.03925	0.7
143.03424	2.3
145.02887	0.8
149.02385	1.0
149.04387	0.3
151.03906	1.2
155.95590	0.2
159.04449	0.5
161.02448	0.3
161.04495	3.0
161.05968	0.9
163.03947	100.0
164.01082	0.5
164.04298	4.0
165.01877	1.0
167.03464	0.3
173.06013	0.3
175.03960	0.3
175.07594	0.3
178.02582	0.3
179.03502	1.0
179.05563	13.0
180.05902	0.2
185.05846	0.3
187.03984	0.7
188.04732	0.6
193.05064	2.6
201.05630	0.3
203.07127	2.1
203.08920	0.3
205.05032	1.3
221.08167	0.9
227.07077	0.4
245.08202	2.9
246.08401	0.2
263.57745	0.2
289.07230	20.6
290.07541	1.9
325.09317	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	325.0935
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
57.46379	0.3
59.01262	6.0
71.01269	5.1
71.04910	2.2
71.06947	1.1
72.99198	6.1
73.02838	6.3
75.00759	37.1
76.01099	0.5
78.82767	0.4
81.03345	4.5
85.02827	0.7
87.00758	3.3
87.04400	0.8
89.02331	0.6
93.03324	0.6
96.95925	0.4
99.00758	4.2
99.04408	4.8
101.02347	0.4
110.85154	0.5
115.03931	0.5
119.04936	44.8
120.05280	1.4
125.02374	0.7
130.11610	0.4
133.02853	0.4
133.59639	0.4
134.03627	0.4
143.03433	9.8
145.02911	1.2
150.79321	0.4
158.01846	0.4
161.02466	0.5
161.04489	11.5
161.05833	0.6
163.03946	59.5
164.04295	2.7
169.51241	0.4
179.05563	100.0
180.05853	3.2
182.45572	0.4
193.05092	0.6
234.23932	0.4
325.09375	10.7
326.03448	0.5
326.09680	0.9
326.50751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03364	0.8
58.00504	0.7
59.01256	0.9
69.31313	6.0
69.31715	1.2
69.88748	0.6
71.01261	7.2
71.04924	2.3
72.02045	1.1
80.02571	1.1
80.67302	0.7
81.03350	0.6
83.04919	3.5
84.02058	3.0
85.02829	1.4
95.04942	2.0
97.06503	2.5
98.03594	0.7
98.20501	1.3
99.04414	1.4
99.08045	3.1
106.22329	0.7
109.06480	1.5
111.08067	1.3
112.05216	1.0
115.07517	3.2
123.04419	1.0
123.08080	0.9
125.06001	0.9
125.09625	6.0
127.07571	15.1
127.11252	1.2
135.08070	2.2
137.09651	1.2
139.07625	3.3
141.09103	0.8
141.12846	0.8
153.09142	12.3
155.10710	3.9
156.33481	0.7
156.90460	0.7
163.11244	2.3
165.12752	1.5
171.10229	12.0
178.09953	3.1
181.12321	1.0
185.11787	16.7
191.10788	1.3
191.14409	2.2
197.11809	17.8
197.13544	1.3
207.10188	1.2
209.11812	68.0
210.12173	2.3
225.28102	0.6
227.12938	0.8
236.10587	0.9
238.12144	8.6
245.19154	2.2
251.16524	0.7
253.18155	1.1
256.13196	3.9
263.20163	1.4
265.18030	1.1
279.19757	1.4
281.21298	0.9
289.18112	9.4
293.81128	0.7
297.20816	0.8
307.19208	100.0
308.19513	5.3
325.20251	42.5
325.24203	1.5
326.20523	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	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31582	1.0
57.03337	5.4
59.01281	2.5
66.73963	0.9
67.51357	1.0
69.03341	4.3
69.40392	4.7
69.40823	5.6
71.01258	5.1
71.04916	9.1
73.02842	1.5
80.02575	2.5
81.03393	1.2
83.04909	3.0
84.02067	1.6
85.06468	2.4
91.05447	1.5
93.03339	1.3
95.04901	2.3
97.02846	4.6
97.06482	7.4
107.04949	1.6
109.06501	31.1
110.06865	1.6
111.08065	1.0
111.95367	1.0
112.28938	1.0
114.80427	1.0
115.07558	1.3
125.06010	3.1
125.09652	1.7
127.07535	4.2
151.11211	1.9
153.09181	1.3
153.12814	1.2
155.10774	1.1
169.12308	8.1
169.58980	1.3
177.12733	1.6
181.12323	4.3
183.13863	3.4
193.12306	3.3
197.11821	42.4
198.12170	1.9
199.13408	3.5
201.11336	2.9
209.11868	1.3
211.13374	27.8
212.13800	1.6
227.12906	2.9
231.13937	1.5
235.13438	5.0
237.14970	7.4
245.19244	1.6
249.15015	3.8
267.15967	2.0
289.18134	5.9
307.19308	7.2
325.20264	100.0
326.20657	8.8
342.06027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59725	1.0
57.03335	6.4
59.01264	5.7
67.01759	1.3
69.03333	3.3
69.26731	1.5
69.27144	8.9
71.01259	2.6
71.04905	8.0
73.02840	1.9
73.90083	0.8
80.02573	2.9
82.60316	1.1
83.04929	5.5
85.02847	1.0
85.06470	3.2
87.04414	2.1
91.05424	1.1
93.03335	1.2
95.04925	3.4
97.02851	5.1
97.06490	5.4
102.63842	0.8
107.04933	1.1
109.06501	26.9
111.08041	1.4
115.07554	1.0
123.08075	2.1
125.05990	3.1
125.09570	1.2
127.07568	2.9
137.09668	1.4
151.11177	2.0
153.09161	1.7
153.12727	1.3
165.12839	1.3
167.10738	1.7
167.14368	1.0
169.12311	7.5
171.10335	1.2
179.10776	1.4
181.12320	3.7
183.13829	4.5
193.12315	3.8
197.11801	51.8
198.12189	2.2
199.13371	4.1
205.20204	1.1
207.13797	1.1
209.11841	1.8
211.13385	29.5
212.13786	2.2
219.13947	1.2
227.12880	3.5
235.13438	5.3
237.14943	4.7
239.12733	1.1
249.14987	3.2
261.18631	1.9
267.15900	1.1
271.17166	1.1
289.18155	5.0
307.19214	3.1
325.20251	100.0
326.20590	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	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12167	0.8
56.54551	0.8
57.03318	1.9
58.00482	4.4
59.01253	2.1
69.03320	1.3
70.01511	0.9
70.35175	1.7
70.35580	3.3
71.01266	1.8
75.84474	0.9
80.02618	0.9
81.03380	1.0
84.02052	2.2
84.90131	1.0
90.64333	0.8
94.02731	0.9
95.04895	2.9
95.21995	0.8
97.06480	3.3
97.19916	0.8
99.08044	1.5
109.06502	1.7
111.08014	0.9
113.05989	5.8
115.07564	8.3
119.33137	0.8
125.09618	2.8
127.07567	11.0
129.09074	1.5
137.09671	1.0
151.11223	19.0
152.11501	1.0
153.09128	2.4
153.12798	17.9
155.10709	1.0
155.14331	2.8
165.12784	3.0
169.12231	1.9
171.10164	2.5
181.12288	3.8
183.13855	4.1
195.10168	0.9
197.11798	27.6
199.13383	32.2
200.13736	1.6
201.11406	1.6
209.11783	7.2
210.88069	0.9
211.13321	2.5
213.11247	1.1
215.12865	26.0
216.13321	1.0
223.13358	1.2
227.12885	100.0
228.13290	4.8
229.14449	70.0
230.14757	2.4
245.19131	3.2
256.13196	1.6
263.20166	7.7
269.21249	2.7
279.19730	1.4
281.21341	5.9
288.06372	0.9
289.18063	4.8
297.20770	7.0
307.19208	22.8
308.19565	1.8
325.20258	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	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.3
58.00470	3.9
59.01273	2.5
69.27593	15.5
75.90794	1.6
84.02042	1.9
84.70803	1.7
94.30676	1.8
95.04936	2.0
97.06487	3.4
99.08112	1.8
107.04839	2.0
108.93877	2.1
113.05979	9.0
115.07539	10.0
127.07573	14.5
135.67584	1.8
151.11227	22.0
153.12788	21.5
155.14378	3.4
165.12848	2.2
169.12341	3.2
171.10182	1.9
181.12268	4.1
183.13803	5.6
195.96509	1.6
197.11798	33.0
197.90154	1.8
199.13368	29.4
200.13814	1.8
209.11797	6.3
211.13390	3.6
215.12872	28.5
227.12874	100.0
228.13170	4.2
229.14447	74.4
230.14743	4.9
234.52377	1.9
245.19101	4.3
247.24461	1.8
263.20209	3.2
269.21118	3.8
279.19733	3.7
281.21271	4.3
289.18002	5.1
297.20734	6.8
307.19250	20.3
314.53464	2.1
316.81085	2.0
325.20221	25.3
326.20413	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	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63259	0.9
57.03325	2.7
58.00473	2.9
59.01262	18.3
64.19303	0.9
68.99706	1.0
69.03339	2.6
69.53408	6.9
71.01263	9.5
71.04842	1.4
72.99191	1.6
73.02828	2.1
75.50564	0.9
83.04906	3.2
84.02042	2.3
87.69752	1.0
93.03390	1.1
95.04964	1.3
97.02864	1.0
97.06477	3.7
105.06989	2.3
106.04136	1.8
107.04938	1.4
109.06484	3.6
111.08064	23.0
121.06448	2.1
123.08066	13.2
125.05947	1.0
125.09614	6.2
127.07559	21.6
127.11183	5.9
135.08073	7.5
137.09647	3.9
139.11212	1.8
149.09612	1.5
151.11244	2.0
153.09154	6.3
153.12730	1.8
155.10712	5.8
157.12228	1.2
163.11212	3.3
165.09100	1.7
165.12837	3.0
167.10750	5.1
169.12218	6.4
171.10214	45.2
181.12244	1.4
183.10257	6.2
183.13885	6.5
185.11775	37.5
186.12105	1.2
186.41483	1.0
191.14447	2.0
195.10254	4.1
197.11804	74.5
198.12125	3.3
201.11287	49.4
202.11703	1.2
207.10225	1.3
209.11848	6.6
210.12192	1.8
211.13316	3.5
213.11324	11.8
215.12834	2.1
220.56900	1.0
227.12817	9.6
245.19131	5.4
249.14786	1.1
255.29840	1.1
263.20187	9.0
281.21249	2.5
289.18161	11.9
307.19119	13.7
325.20251	100.0
326.20535	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54825	9.6
57.03342	21.2
59.01265	35.4
61.25887	8.3
61.31846	8.8
69.03342	29.0
70.96513	24.7
74.39783	9.1
77.04891	9.1
81.03353	19.1
83.01284	16.6
83.04905	37.4
95.04893	17.5
97.02856	19.6
97.06478	40.5
100.19788	8.8
117.02028	10.4
123.04425	28.0
123.08072	18.2
125.09665	78.4
133.22032	9.9
135.08081	20.1
137.09630	28.5
149.06033	15.9
163.07634	9.2
163.11224	44.0
165.12836	25.6
167.10716	63.3
171.10207	17.1
179.77884	9.4
181.12297	21.8
185.11781	37.3
191.10655	12.0
191.14417	18.3
207.10260	41.0
209.11853	100.0
210.85625	10.6
225.11266	18.4
245.19121	20.6
289.18161	24.1
307.19177	14.2
325.20419	18.4
329.16092	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	325.2026
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03336	18.4
59.01258	54.6
69.03347	8.7
71.01263	16.5
71.57224	10.7
73.02831	9.0
81.03381	9.0
83.04929	12.0
97.06467	39.3
105.66373	5.3
107.04929	6.0
107.12363	5.4
109.06511	11.1
111.08082	16.3
113.97934	5.4
115.07556	6.0
125.09650	6.8
127.07579	11.5
151.11253	36.8
153.09135	13.2
153.12779	10.4
155.10716	12.0
163.11226	11.8
165.12787	15.5
167.10745	7.5
169.12340	7.2
169.98466	6.4
171.10234	26.7
179.10716	11.3
181.12302	32.9
191.10739	8.5
197.11899	34.1
209.11787	81.2
211.13493	6.0
225.53740	6.1
229.14473	20.9
245.19055	12.0
245.52660	6.4
289.18179	7.6
307.19162	100.0
308.19562	7.9
325.20233	40.4
325.23907	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	325.2028
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03339	17.1
59.01263	31.2
67.01751	2.0
67.96661	1.7
69.03338	4.3
71.01264	3.4
71.04917	2.2
71.44690	3.8
72.65878	2.0
77.13934	1.6
77.29636	1.7
81.03344	3.9
83.01250	4.4
83.04910	7.3
88.52913	2.1
93.03309	2.8
95.04908	3.3
97.02840	3.7
97.06474	9.6
101.02335	3.5
104.74466	2.0
106.04155	2.6
109.06488	8.7
111.04433	2.8
111.07996	2.6
123.04384	4.4
123.08067	7.1
125.09647	13.4
127.07552	3.9
135.04543	2.0
135.07996	3.5
137.09663	4.2
149.06003	3.6
149.09624	2.3
153.09081	6.4
155.10725	3.6
161.09604	2.9
163.11211	8.3
165.12727	5.3
167.10764	10.1
171.10217	21.8
177.12834	3.3
179.10785	2.4
181.12347	2.9
185.11795	8.3
191.10796	2.4
191.14369	3.9
195.13840	6.2
197.11800	5.8
201.11292	6.9
207.10234	4.5
209.11795	22.7
211.13309	6.0
218.71104	1.9
227.12840	4.0
237.14969	100.0
238.15324	5.5
245.14780	2.0
245.19110	9.3
265.12878	2.1
279.19818	2.5
289.18146	77.4
290.18442	5.4
307.19165	34.2
325.20358	30.2
325.23801	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	325.2178
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.11057	0.5
59.01258	5.2
61.04976	0.6
62.90313	0.5
64.66024	0.6
69.70349	4.5
71.01299	0.6
73.52656	0.6
74.34641	0.6
133.38582	0.6
134.04617	0.7
149.09654	82.9
150.10014	4.2
163.11227	96.4
164.11565	5.7
183.01176	10.2
197.02748	1.5
283.60345	0.6
307.19357	1.0
325.18387	16.2
325.21796	100.0
325.27182	3.5
326.18604	1.5
326.22122	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	325.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49119	0.4
52.97632	0.4
53.88180	0.6
57.03323	0.4
59.01263	5.6
61.88578	0.5
64.02950	0.5
69.73267	2.7
71.01273	1.0
71.04913	0.8
73.02827	0.6
74.24797	0.5
89.12491	0.4
97.06490	0.6
101.02383	0.6
119.04978	0.5
125.09624	5.0
125.73534	0.5
127.07565	0.8
129.09219	0.5
134.89616	0.5
139.11195	1.3
149.09735	0.6
151.95784	0.5
153.09137	1.1
163.11243	4.5
167.10739	4.3
171.10205	0.7
179.10680	0.6
181.12300	3.1
183.01169	1.7
184.02026	0.4
185.11798	0.6
195.13899	1.9
197.02785	2.7
197.11794	6.3
204.01746	0.6
209.11845	0.9
249.22295	0.6
280.44440	0.5
293.21280	6.3
294.21643	0.7
307.19122	2.3
307.22949	1.4
309.20871	2.7
310.21451	4.5
311.21866	0.8
325.18704	5.9
325.23889	100.0
326.20059	0.8
326.24234	9.9
342.20532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
59.01266	8.8
61.94164	0.7
66.52141	0.6
69.03333	1.0
69.30309	6.9
71.01283	1.2
79.95630	0.8
99.08070	1.7
101.02316	0.8
107.22244	0.7
111.08060	0.9
119.04943	0.9
125.09632	1.5
127.11243	1.0
127.40643	0.6
139.11287	1.3
151.11211	1.3
153.09148	0.9
156.48936	0.8
159.85052	0.6
163.11191	0.7
165.12849	0.9
167.10701	0.9
171.10245	2.1
183.01173	12.2
184.01770	1.1
191.14232	0.7
193.12349	3.6
195.13821	1.0
197.02736	12.2
197.11885	1.3
198.03264	1.2
209.11777	2.8
211.04373	1.8
213.14920	1.1
225.05974	0.7
225.15001	1.6
230.02594	1.1
249.22214	1.4
265.21887	1.1
275.20181	1.3
293.21298	13.0
294.21567	1.1
307.19189	3.9
307.22763	1.4
309.20786	1.1
310.21552	3.3
325.18475	48.0
325.23871	100.0
326.18683	4.7
326.24249	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.1
63.96124	23.7
71.01279	0.7
71.56992	1.0
75.00758	1.6
78.98479	100.0
82.46407	0.7
89.02314	0.8
93.00049	14.8
93.03366	2.2
117.03394	0.8
119.01646	2.5
119.04938	60.3
120.05291	1.7
121.02926	0.9
133.02888	0.9
135.02890	4.3
135.04456	1.3
137.02335	1.5
143.04979	1.3
145.02908	2.1
147.04466	0.9
159.89325	0.7
161.05975	0.9
163.00659	53.1
163.03947	72.6
164.00946	1.0
164.04294	2.5
165.01854	0.6
165.04047	1.1
165.05412	0.9
181.01721	14.7
191.03677	0.6
209.04556	1.9
229.97357	0.7
244.29103	0.7
247.06129	1.9
265.08893	0.9
283.06854	1.2
283.09598	0.9
327.05444	7.5
327.08914	4.7
327.12213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1092
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00466	2.3
59.01263	31.4
69.89015	1.0
70.33681	2.6
70.34083	1.7
71.01270	23.9
72.99184	4.3
75.00750	7.7
84.72369	1.1
85.02849	5.2
87.00768	2.3
87.51868	1.3
89.02338	16.6
93.03339	1.8
101.02346	13.7
106.15840	1.4
109.02855	4.0
113.02327	6.2
119.03410	7.8
119.04935	4.1
121.02866	1.5
133.02872	3.8
135.02922	17.9
135.04459	1.5
137.02374	5.8
138.03108	3.3
147.04453	100.0
148.04785	3.6
149.02309	1.3
150.03137	3.6
163.00304	2.9
164.01108	1.8
165.01865	6.9
165.04053	3.7
165.05508	15.2
166.05759	1.7
179.03522	1.8
179.05515	1.6
183.11635	1.1
190.99821	5.0
192.00569	2.5
194.02141	1.2
209.04564	5.3
232.90906	1.1
327.10901	63.1
328.11136	4.1
329.23956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1738
Annotation	Eiseniachloride B
Peak:m/z	Relative Intensity
51.61669	18.7
51.88441	16.8
59.01255	68.5
61.31868	14.9
71.01297	13.8
71.58113	30.4
89.02370	18.0
101.87260	16.6
270.21002	17.4
291.19720	57.0
327.12512	16.3
327.16376	24.1
327.21777	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	327.2183
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.12232	0.4
59.01260	3.3
61.98725	0.5
69.03339	0.8
69.67556	2.7
71.01248	1.4
71.04900	1.8
73.02827	3.2
85.02842	1.2
93.06960	0.9
97.06462	0.6
101.02338	0.8
111.08067	8.1
119.04916	1.0
119.08561	2.6
121.01557	0.4
121.10163	0.8
125.09654	1.3
127.11211	0.8
129.89299	0.5
137.09627	3.9
151.02293	0.5
161.09557	0.6
163.03882	0.8
165.04080	0.5
166.79407	0.4
171.10217	25.4
172.10555	1.0
181.12254	0.7
189.31647	0.5
193.12288	0.9
197.06262	0.5
209.11783	0.7
211.13356	1.6
214.73247	0.4
229.14308	1.0
237.18610	4.3
243.06482	0.5
247.16962	2.9
253.18069	1.7
255.19582	0.9
263.20181	0.5
265.18124	10.0
266.18121	0.6
267.10876	0.5
273.18588	3.7
283.19199	18.5
284.19553	1.7
291.19690	4.6
299.16531	1.0
309.15137	1.1
309.20718	5.8
310.21182	1.1
327.01733	0.8
327.16397	2.7
327.21811	100.0
328.22131	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03300	1.2
60.85401	0.9
62.88037	0.8
63.03500	1.0
66.05154	0.9
69.03333	1.4
70.96095	2.6
70.96443	1.3
71.01257	1.7
73.02833	5.1
87.87814	1.0
88.54689	0.9
97.06458	1.3
99.08068	1.9
104.63248	1.3
106.54362	0.9
112.05203	2.8
115.07539	2.0
125.09608	1.7
127.07561	4.4
129.09137	27.5
141.09164	11.9
141.12790	1.7
155.10707	19.4
165.12767	1.5
171.10205	17.8
173.08128	1.2
179.02531	1.0
185.11789	41.2
186.12149	2.2
197.11804	34.9
198.12068	2.5
209.11797	7.3
211.13402	1.3
247.20892	1.5
291.19711	13.8
309.20786	34.1
310.21045	2.7
327.21829	100.0
328.22177	11.3
339.93057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2182
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03340	2.5
58.00470	0.5
59.01258	0.5
66.67696	0.3
69.03333	1.6
69.32886	0.3
70.49697	0.3
71.01260	0.6
71.04893	0.5
83.04903	0.5
85.02846	7.8
87.85887	0.3
95.04904	0.9
97.02857	0.9
97.06483	4.1
98.19771	0.9
119.08599	0.6
123.08040	0.4
125.09632	1.5
127.11186	1.9
127.55469	0.3
137.09648	1.7
155.10716	0.7
155.14374	0.5
163.11240	0.5
165.12807	0.8
167.14360	1.0
171.10220	20.1
172.10558	1.1
177.12801	0.7
181.12221	0.4
183.13896	3.6
185.11780	1.3
193.12315	1.1
197.11830	0.5
201.11253	0.5
203.10858	0.5
209.11827	1.2
211.13376	19.8
212.13676	1.1
221.11858	2.5
221.87639	0.4
227.12956	0.4
229.14444	9.3
230.14742	0.6
239.12904	1.9
291.19730	2.9
309.20850	1.0
327.21820	100.0
328.22107	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77792	0.3
52.14548	0.3
53.43973	0.3
55.01754	0.5
57.03328	2.7
58.00553	0.3
59.01260	0.5
59.20861	0.3
59.89890	0.3
69.03339	2.3
71.01273	0.6
76.40570	0.4
82.69126	0.3
83.04910	1.0
84.02078	0.6
85.02842	13.0
95.04914	0.6
97.02846	1.3
97.06497	3.4
110.03741	0.4
112.88757	0.3
119.08571	0.7
125.09646	1.3
127.11205	2.0
132.58162	0.3
137.09656	4.1
153.09041	0.4
155.10706	1.4
155.14352	0.5
165.12753	0.8
167.14343	0.5
171.10222	28.0
172.10516	1.3
177.12810	0.9
183.13901	3.2
185.11752	1.2
193.12312	1.2
197.11916	0.4
201.11307	1.2
206.60976	0.3
209.11841	1.2
211.13371	15.0
212.13786	0.6
221.11832	2.4
229.14467	9.8
230.14871	0.5
239.12892	1.5
291.19614	2.6
309.20728	1.0
327.21823	100.0
328.22183	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	328.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	4.0
59.01260	4.7
61.31871	1.0
65.99723	5.1
69.03345	1.9
71.28056	2.3
73.71291	1.0
75.00800	1.3
75.19691	1.0
81.03350	4.9
83.01266	4.8
83.04895	1.0
93.03356	2.8
95.01273	3.2
95.04926	2.8
97.02851	6.4
100.94695	1.0
107.04932	3.4
108.02088	1.6
109.02863	38.3
110.03220	2.9
111.04436	1.8
118.96868	1.0
119.04916	1.6
121.02871	10.5
122.02412	2.5
122.03695	5.4
123.00765	1.2
123.04452	19.6
124.01604	1.7
124.04762	2.5
125.02369	29.1
126.02676	2.0
132.04456	3.9
133.02905	1.6
135.04440	12.0
136.03926	1.3
137.02370	42.2
138.02776	1.6
139.02953	1.5
139.03928	12.1
145.02829	4.8
147.04428	4.2
148.03969	11.3
148.05077	1.5
149.02374	22.5
149.04288	1.2
150.03180	9.4
151.03951	21.4
152.04338	2.2
154.02663	1.2
158.03595	1.2
159.04491	3.5
160.03960	7.1
161.02382	9.5
161.04678	1.1
161.06035	3.4
162.03091	3.8
162.05498	2.7
163.00290	1.4
163.03925	9.6
164.01112	9.2
164.03502	3.5
165.01878	18.2
166.02267	1.2
166.05046	2.8
167.03470	8.3
172.04004	14.8
172.05377	1.2
173.06053	4.0
174.03114	1.3
175.03966	5.9
176.01074	3.8
176.03400	6.1
177.01862	6.8
178.02684	4.8
178.04984	1.0
179.03494	16.6
180.03740	1.8
184.03998	2.4
185.06053	1.2
187.03938	2.0
187.07451	1.2
189.05498	1.6
190.05060	5.5
191.03499	6.2
192.04184	2.2
197.06030	3.7
199.03870	1.4
201.05537	3.2
202.06378	1.4
203.03528	1.6
203.07054	3.0
204.07472	2.4
205.05060	2.8
213.05534	6.3
214.06245	2.0
215.07121	43.4
216.07434	2.5
217.05078	1.7
218.04504	2.3
229.08551	1.1
231.02956	1.3
233.08202	9.3
239.07260	1.4
241.05193	1.2
242.08235	4.6
243.06592	1.7
246.08554	2.2
255.06726	1.7
257.08231	15.9
259.06091	6.9
260.09366	1.4
261.07687	1.2
269.04639	1.9
271.06198	1.7
283.06241	2.7
284.09344	6.7
286.07077	2.1
288.06387	3.0
290.07559	18.0
291.07974	1.2
301.07245	38.8
302.07541	3.1
310.07263	7.1
328.08322	100.0
329.09012	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	328.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.5
65.99742	5.1
69.88483	7.1
69.88887	12.7
72.99201	4.0
75.00749	15.2
81.03364	4.3
83.01264	6.2
93.03358	4.5
95.01304	3.6
97.02867	5.0
98.20504	3.7
109.02859	35.2
111.04521	3.0
121.02846	7.2
122.03667	5.2
122.05999	3.9
123.00942	3.1
123.04408	19.4
125.02345	28.1
129.01874	5.1
130.02206	4.1
135.04448	14.6
136.04822	3.7
137.02373	47.7
139.03937	12.0
145.02942	3.3
147.04521	4.5
148.03967	11.9
149.02367	18.1
150.03128	9.7
151.03931	21.8
159.04419	4.5
160.03928	6.3
161.02397	10.1
162.03087	3.2
163.03996	9.1
164.01083	7.6
165.01869	16.7
165.03987	30.1
166.04192	14.7
167.03444	9.7
169.04977	3.1
172.03989	11.2
173.06007	4.5
175.03970	6.6
176.01105	4.4
176.03455	4.4
177.01865	6.4
178.02547	3.2
179.03470	18.3
190.05072	6.3
191.03537	4.4
197.05995	3.1
199.93523	3.0
201.05519	3.6
204.02797	3.4
204.07524	3.4
213.05556	6.5
215.07085	33.5
233.08220	4.5
242.08318	3.1
246.08591	5.9
257.08292	14.7
259.06201	7.0
284.09299	7.7
290.07507	24.7
301.07156	37.2
310.07166	9.9
328.08298	100.0
329.08618	12.0
337.84903	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	329.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	12.6
65.03851	2.4
69.03338	2.1
69.26435	15.9
69.26843	3.1
71.01275	4.2
72.99201	15.4
75.00760	29.2
77.03859	2.2
81.03337	2.8
83.04942	2.7
87.00791	2.0
89.02328	5.5
93.03350	19.4
95.01282	4.8
95.04901	11.2
97.02879	2.3
100.98709	4.4
105.03355	7.5
108.32603	1.6
109.02857	10.7
111.04422	3.6
117.01777	1.9
121.02879	38.7
123.00791	16.1
123.04440	18.3
124.01623	7.8
125.02366	6.3
135.02919	100.0
136.03250	2.5
137.02385	36.5
138.03146	4.0
139.03937	65.2
147.04454	3.1
148.44995	1.7
149.02377	85.1
150.02718	3.2
151.03944	4.7
155.71362	1.7
165.01872	17.1
167.03445	65.4
168.03844	2.6
177.01785	2.3
180.99576	2.3
181.92879	1.6
193.01396	41.5
194.01895	2.1
211.02499	30.3
211.04329	4.8
211.06055	2.6
213.04173	2.0
329.05237	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	329.0884
Annotation	32142-31-7
Peak:m/z	Relative Intensity
57.03341	0.3
59.01266	2.3
63.96060	0.2
67.01778	0.3
69.03340	0.6
69.58228	0.7
69.58659	1.3
71.01260	0.8
81.03342	3.8
82.72983	0.2
83.01275	2.4
85.02866	0.7
88.90441	0.2
93.03360	0.3
95.04928	1.0
97.02868	0.6
107.01257	0.4
109.02854	0.4
119.04916	0.3
121.02852	0.3
123.04434	32.8
124.04756	1.2
125.02357	4.5
133.02962	0.2
135.04424	0.8
137.02371	0.8
139.03926	1.0
149.02377	0.9
151.00320	1.0
151.03952	1.0
163.03934	1.4
165.05466	0.3
166.02686	0.9
167.03442	100.0
168.03764	3.7
175.00308	1.3
179.03447	1.3
180.04155	0.6
181.05029	3.5
191.03465	24.4
191.26465	0.2
192.03815	1.2
193.05090	0.5
209.04539	9.9
210.04907	0.7
221.04541	2.5
233.04575	0.4
239.05522	0.4
269.06653	0.6
329.08768	6.0
330.09207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1151
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
52.66298	0.5
56.75806	0.6
59.01256	4.5
60.12823	0.5
68.24577	0.6
69.68630	3.7
76.48569	0.5
82.02876	6.4
93.03358	0.8
96.95919	0.8
106.06541	6.8
107.04913	0.7
108.04481	1.3
110.02367	1.3
121.02859	0.7
122.06042	2.3
125.02448	0.7
132.04471	19.5
133.05139	1.3
134.06046	27.9
135.04417	2.1
135.06375	1.8
136.03954	3.0
138.05574	1.1
148.04016	1.3
149.02365	1.3
149.04733	1.5
151.00328	0.6
160.02721	1.2
160.03981	15.0
160.05295	0.7
161.04765	26.2
162.05547	64.1
163.05901	2.8
173.38123	0.6
174.05542	0.8
176.03456	3.9
179.03474	0.7
185.08365	0.7
193.03773	39.7
194.04301	2.3
212.07135	4.1
213.07874	1.9
214.08694	4.5
221.88512	0.6
226.08716	2.1
240.10318	1.2
241.06213	6.3
242.11903	3.6
243.11360	3.1
254.06944	0.7
255.07761	0.9
257.09314	9.1
267.11456	0.7
268.09854	2.3
269.09375	4.9
269.53091	0.7
285.12512	63.9
286.12857	5.9
311.10440	8.2
312.10840	0.8
329.11462	100.0
330.11789	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	329.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73804	0.3
57.03326	0.3
57.63265	0.3
59.01263	100.0
60.01597	0.9
66.22211	0.4
67.78358	0.3
70.89504	0.8
71.01270	4.2
72.99191	0.3
73.02859	1.6
75.00760	0.5
83.01286	0.6
85.02824	1.6
89.02328	0.6
89.41547	0.3
95.01299	0.5
99.00790	0.7
101.02347	3.9
106.95787	0.3
109.02850	0.4
113.02370	1.9
114.17284	0.4
121.02876	0.4
123.04452	0.9
125.02382	0.4
135.02966	1.1
135.98303	0.4
137.02373	0.4
139.03949	0.5
149.02411	1.0
151.00281	0.5
159.02992	0.7
161.04488	3.5
167.03462	4.7
167.04729	0.5
193.01462	0.5
212.89426	0.3
215.41795	0.4
269.10358	4.3
324.37979	0.4
329.17725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	39.6
69.63828	2.3
70.57295	2.7
70.73177	4.3
70.73502	6.7
71.01258	4.1
78.95795	44.3
89.02354	2.9
96.96864	4.3
101.02378	3.3
102.34425	3.4
107.31441	2.7
129.37550	3.2
134.44806	2.5
152.99529	100.0
162.00061	6.0
163.97641	2.8
199.01851	8.8
227.03311	6.7
245.04259	3.3
269.10263	4.8
277.21796	7.2
278.22464	2.8
279.23383	51.1
293.21426	8.6
329.14050	11.0
329.17639	7.2
329.23224	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	329.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	36.8
70.00849	9.6
70.01273	4.8
71.01244	3.2
71.30959	2.3
71.70232	2.2
78.95794	47.7
96.96900	4.0
102.32128	2.3
152.99516	100.0
162.00050	3.6
171.00638	2.9
199.01863	8.9
245.04471	2.9
271.58716	2.5
276.18503	2.5
277.21817	10.5
279.23367	47.3
293.21298	9.9
329.14069	9.6
329.23141	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	329.234
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.05773	0.4
57.03335	1.1
59.01271	1.0
69.38858	4.0
69.39261	1.1
69.97168	0.4
83.04918	0.6
84.02080	0.5
97.06515	0.7
98.20514	0.8
99.08065	6.1
125.09639	1.5
127.11201	3.7
137.09592	0.7
139.11220	6.9
155.10670	0.7
155.14333	0.7
157.12283	0.8
165.12762	1.1
167.14368	1.0
171.10220	17.3
183.13898	5.0
193.12331	1.2
201.11353	0.6
209.11722	0.6
211.13383	24.4
212.13779	1.4
229.14468	14.5
229.16772	0.6
230.14757	0.7
236.61668	0.5
237.72018	0.5
293.21359	1.3
311.22266	1.3
329.23386	100.0
330.23746	8.6
346.73822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1201
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01258	21.9
61.40244	3.0
70.25046	11.2
71.01274	13.6
83.01284	4.2
87.00769	24.6
89.02332	5.8
101.02390	3.8
108.24403	3.3
113.02362	5.2
116.99347	3.5
122.06050	39.8
123.04515	6.9
125.02370	6.3
133.04941	4.4
134.06030	7.2
135.02957	7.6
136.07578	21.2
150.04405	6.9
150.05548	100.0
150.06754	4.8
151.00246	4.4
151.03960	23.2
151.05893	6.1
152.07060	6.8
161.04475	3.7
169.01390	5.5
169.05049	8.9
170.82230	3.6
174.99210	4.7
175.06372	4.9
176.07104	9.5
204.06773	4.0
204.27927	3.7
298.05347	3.8
312.10950	54.2
313.11465	3.9
322.18970	3.8
330.04987	4.7
330.11975	36.1
331.06793	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	331.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.8
59.01248	2.3
65.00200	2.9
70.77464	3.5
71.01270	1.6
81.03340	1.7
83.01282	8.9
87.00747	1.0
90.00919	1.0
93.03367	1.2
107.01335	5.6
108.02130	1.5
124.01585	1.8
125.02358	42.0
133.04970	10.0
136.33954	1.1
150.05624	1.1
151.00301	42.4
151.04013	1.3
165.01811	1.3
167.03510	1.5
168.00555	4.1
168.99954	2.3
169.01367	33.6
175.00311	8.0
193.01414	5.6
211.02388	2.6
313.11584	1.4
331.06747	100.0
332.07126	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54838	5.5
59.01255	21.1
65.18279	4.6
71.01241	6.6
71.56657	7.0
71.57268	6.7
72.99194	20.7
75.00748	53.9
76.22881	5.4
81.03337	7.3
87.00755	8.8
89.02284	5.5
93.03355	13.0
95.04900	5.7
105.03391	6.9
107.04931	12.1
108.02070	15.8
109.02846	16.1
115.00256	6.6
119.04926	6.8
121.02935	13.6
123.04411	48.4
133.02852	12.6
135.01938	7.0
135.02924	100.0
135.04434	12.2
149.02348	7.9
151.00357	5.6
151.03967	56.4
151.05148	9.6
163.03940	6.9
169.01291	10.5
179.03433	10.4
193.02740	5.8
195.02916	12.8
203.28427	5.5
220.51642	5.3
257.52701	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	331.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.2
59.01241	2.1
65.00183	1.5
69.03339	2.7
70.77509	3.4
71.01244	1.6
75.91121	1.0
81.03342	2.1
83.01278	8.1
89.02293	1.6
97.02824	2.4
99.41885	1.1
101.02308	1.2
107.01273	4.8
107.76808	1.0
109.02855	1.2
119.03382	1.3
123.00773	2.3
124.01573	12.1
125.02363	97.0
126.02714	1.8
133.04968	3.6
137.02373	2.0
139.03851	1.0
147.39149	1.1
149.99506	22.9
151.00291	24.2
151.03937	2.1
167.03458	2.4
168.00584	62.6
169.01372	49.9
169.05083	1.4
175.00314	2.9
179.05600	1.9
193.01404	2.2
211.02391	1.0
274.62485	1.0
280.83023	1.1
309.05319	1.0
313.05634	8.5
331.06757	100.0
332.07184	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0677
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.11459	0.6
57.03334	2.4
59.01258	1.5
65.00200	1.8
69.03326	2.5
71.01266	1.1
71.54999	1.1
72.99201	0.7
81.03343	2.3
83.01266	7.0
97.02868	2.9
99.97256	0.7
107.01271	3.1
121.02814	0.8
123.00766	4.0
123.04425	1.2
124.01598	12.8
125.02369	76.6
126.02675	2.6
131.01308	0.9
133.04970	1.9
139.03967	1.3
149.02321	1.0
149.99535	20.8
151.00314	21.9
151.03935	1.5
153.01935	0.7
165.01924	1.0
167.03439	1.6
168.00592	50.3
169.01367	28.2
169.04961	1.3
175.00319	2.2
179.05565	1.2
184.02507	0.7
193.01350	2.4
214.04196	0.7
218.49643	0.7
295.02493	0.7
312.60123	0.7
313.05695	5.2
331.06754	100.0
332.07126	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0677
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01272	0.7
60.31962	0.6
69.03336	3.1
70.94550	1.4
74.04088	0.5
75.09597	0.5
81.03344	1.2
83.01276	1.7
85.10652	0.5
95.01292	1.2
97.02847	3.8
107.01318	1.0
109.02863	0.9
123.00806	4.4
124.00661	0.9
124.01583	20.2
125.02367	93.6
126.02710	2.3
135.02939	1.3
137.02359	1.2
149.02356	0.7
149.86052	0.5
149.99527	38.4
151.00372	2.8
151.03970	1.2
153.01874	2.1
167.03430	1.7
168.00595	96.6
169.01334	11.5
193.01398	0.9
200.50375	0.5
313.05710	10.7
314.06033	1.0
331.06769	100.0
332.07062	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.104
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
56.09567	0.7
57.51841	0.7
59.01254	2.4
59.31112	0.7
61.14952	0.8
70.74911	1.7
71.01270	1.8
82.30241	0.7
83.01295	1.8
84.00809	0.7
85.02843	1.6
85.78961	0.7
87.23102	0.7
109.99990	4.0
113.02335	2.8
124.01583	1.3
125.02370	12.5
136.01624	0.9
137.02379	1.1
137.99536	5.6
139.00255	1.7
151.00343	2.0
152.01096	3.4
153.01872	100.0
153.99055	0.9
154.02458	4.1
155.03490	1.6
161.04483	1.4
167.03426	9.5
168.04228	52.1
169.01378	10.3
169.05002	7.0
191.03474	1.1
196.03734	0.8
209.04607	0.8
211.05992	0.8
224.88988	0.8
229.61079	0.8
315.72879	0.6
331.06750	2.0
331.10458	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	331.1406
Annotation	Gluroside
Peak:m/z	Relative Intensity
55.01762	2.6
58.00473	3.2
58.40325	1.2
59.01263	100.0
69.63187	8.5
71.01266	57.1
72.99190	3.2
73.02820	1.4
77.61053	1.1
83.01290	2.9
85.02844	11.7
87.00777	2.6
89.02335	64.7
93.69359	1.1
95.01295	4.5
101.01697	2.4
101.02348	33.0
107.08556	7.6
113.01627	1.8
113.02356	24.4
119.02577	2.0
119.03416	31.4
125.02331	1.2
131.03407	1.5
143.03423	3.2
149.04500	1.4
151.00311	1.3
151.07581	51.0
152.07883	2.8
161.04524	3.2
179.05534	5.2
201.09518	2.1
202.99878	3.1
240.16273	1.1
259.02466	1.3
330.49710	1.3
331.04703	4.4
331.14166	6.6
331.17578	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.1
57.03338	1.9
58.00482	3.7
59.01264	100.0
60.01604	1.1
63.02271	1.2
67.84661	0.7
70.55347	0.9
71.01271	65.5
72.01598	1.3
72.99188	5.0
73.02848	1.4
75.71986	0.8
76.14257	0.8
83.01279	2.8
85.02853	11.1
87.00777	2.8
89.02340	71.9
90.02680	1.1
91.61836	0.7
93.09296	0.7
95.01295	5.5
97.68396	0.7
98.20660	1.5
99.00799	0.7
101.02352	38.3
101.03020	1.9
107.08575	8.8
109.02885	1.5
111.03724	0.7
113.02356	23.7
119.03423	32.6
119.04930	3.4
120.03695	0.7
125.02383	0.9
131.03426	2.7
139.00334	0.8
143.03397	3.9
149.04506	1.6
151.00311	2.0
151.07593	59.5
152.07922	2.6
161.04498	2.9
177.01904	1.7
178.99826	1.8
179.05594	6.2
201.09555	2.8
202.99847	3.3
209.11882	2.0
214.77711	0.8
221.00945	3.9
227.13010	0.8
229.17860	0.9
259.02673	1.3
270.01566	1.0
271.02451	1.8
287.01993	2.4
316.02261	1.9
331.04581	7.8
331.14240	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	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.8
68.96010	0.8
69.03342	8.8
69.13519	0.7
71.01234	2.9
71.57690	0.9
76.98367	0.7
85.02776	0.7
87.00036	0.7
93.03363	0.6
97.02849	42.9
97.06468	0.9
98.03197	1.1
111.04414	1.4
113.02340	0.8
122.04827	0.8
125.05978	2.9
152.00809	1.2
158.37364	0.9
168.04115	0.8
177.01660	1.1
178.02414	6.1
191.03232	4.9
197.44139	0.8
210.01447	5.6
219.06375	7.3
233.07950	1.7
233.11598	1.9
261.11121	62.6
262.11896	100.0
263.12238	6.5
267.12335	0.8
294.10919	13.1
313.18036	1.1
331.18988	30.9
332.19336	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	333.0255
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
51.82693	3.6
57.03342	4.0
59.01261	97.1
63.02267	9.5
65.00202	23.6
69.03327	6.8
70.23678	4.0
71.01266	62.0
72.99204	6.1
73.02827	5.4
75.74997	3.5
79.01765	3.8
81.03352	4.9
82.01287	3.3
83.01259	23.2
85.02849	11.5
87.00774	4.3
89.02335	75.3
89.42248	3.6
95.01294	25.3
97.02888	5.2
98.19698	8.2
99.00787	22.5
101.02338	32.4
107.01285	29.1
109.02847	81.8
109.71733	3.8
111.00782	32.3
113.02359	29.4
119.03410	33.8
119.04917	7.6
123.00790	33.9
124.01547	9.7
125.02361	58.8
133.02873	58.5
135.00813	17.8
136.98692	19.4
137.02388	14.8
139.00301	57.3
140.01082	8.5
141.01857	57.6
142.89214	3.5
143.03482	7.6
143.04985	7.1
147.04407	9.5
148.01561	6.2
149.02367	10.6
149.99512	4.5
151.00301	92.3
152.01035	15.6
153.01865	49.6
153.09125	26.3
154.99741	4.6
161.02405	10.4
163.00298	42.0
164.01065	7.8
165.01872	10.6
166.99792	43.5
168.00594	26.1
169.01360	43.2
171.04459	6.8
171.10233	4.4
175.03963	15.2
176.98325	6.8
177.01863	13.1
178.99825	100.0
179.05511	4.3
180.00169	5.4
181.01421	5.7
187.03958	11.6
189.01865	10.6
190.99805	37.0
191.03413	6.4
193.01390	8.0
194.99355	34.9
197.00824	15.8
197.02348	4.0
199.04030	7.8
201.02003	5.9
201.66060	3.9
203.03410	6.3
204.97751	16.9
205.01326	8.9
205.98505	5.9
206.99326	57.3
207.99963	13.9
209.00891	23.1
215.03502	15.4
217.04994	8.4
219.03035	9.4
222.98834	51.6
223.99590	19.6
227.03456	8.9
229.01381	8.8
233.00931	8.8
233.04630	18.8
241.01416	4.7
243.02959	23.2
245.04547	8.7
247.02394	6.9
259.02466	9.9
261.04163	10.5
271.02509	23.5
272.03323	6.1
287.02094	28.5
289.03510	15.7
299.01791	5.2
300.02768	9.0
305.03088	11.4
315.01544	50.5
316.01840	5.0
333.02478	67.2
333.15497	8.5
334.03094	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	333.026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38632	3.5
55.40250	3.6
57.03342	4.3
59.01256	11.8
63.02276	11.2
65.00208	22.0
67.01761	5.6
69.03325	4.6
69.40061	37.3
71.01250	9.8
72.38470	3.6
83.01263	16.4
85.02837	5.9
88.71163	4.0
89.02344	6.2
95.01263	16.7
97.02837	12.1
97.94247	3.4
99.00757	18.8
105.30711	3.9
107.01305	35.6
109.02861	69.8
110.00055	3.8
111.00774	21.6
113.02351	6.1
121.02855	3.8
123.00804	31.3
124.01543	10.8
124.98724	5.2
125.02367	46.2
133.02881	39.2
135.00809	10.8
135.04433	9.6
136.98738	12.1
137.02351	15.2
139.00285	52.2
141.00798	5.8
141.01854	64.4
147.00839	5.8
147.04443	4.5
149.02371	8.6
151.00298	84.6
152.01106	19.0
153.01866	35.8
153.46193	4.5
159.04453	5.2
161.02357	6.4
163.00307	40.1
163.03899	6.1
164.01056	5.4
165.01834	10.8
166.99796	40.2
168.00648	25.1
169.01390	38.9
169.71071	4.5
171.04478	5.8
174.03151	4.7
175.03943	16.0
176.98260	5.1
177.01857	9.8
178.99812	100.0
179.73160	5.0
180.00211	4.9
181.01382	5.3
184.66435	4.9
187.03928	7.9
189.01790	5.8
190.99843	31.1
191.03392	4.7
193.01360	10.6
194.99329	26.9
197.00870	12.6
199.03995	12.0
201.01843	6.5
203.03468	10.3
204.97723	9.2
205.01376	13.7
206.99348	42.2
207.99991	10.8
209.00882	20.3
215.03493	13.8
215.12857	5.6
217.05035	5.7
217.10603	3.8
219.03076	6.7
222.98804	45.8
223.99582	16.1
227.03540	9.4
229.01390	4.2
233.00903	8.4
233.04491	13.0
243.02956	18.0
245.04518	6.4
247.02480	7.3
259.02548	10.3
260.03278	4.3
261.04074	9.3
271.02606	32.9
272.03214	8.2
287.02008	31.5
289.03598	12.3
299.01886	5.8
300.02808	9.4
305.03085	11.9
315.01508	44.4
316.01761	4.8
333.02530	69.5
333.15576	9.1
334.03033	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	333.0258
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
56.42715	4.0
59.01262	22.6
63.02273	10.0
65.00203	15.6
68.99693	6.0
69.03339	7.3
71.01264	21.3
71.14351	3.8
71.14673	6.3
73.02831	8.7
79.88642	3.4
81.03348	3.7
82.38127	3.3
83.01287	23.7
85.02831	7.2
87.00802	3.9
89.02325	5.8
95.01299	24.4
97.02843	8.7
98.81486	3.5
99.00777	22.7
101.02354	11.4
107.01292	34.4
108.02079	3.8
109.02860	69.5
109.99960	3.6
111.00797	36.8
113.02357	4.3
119.01334	3.9
121.02879	6.2
123.00791	40.3
124.01588	6.2
125.02374	54.1
133.02884	35.1
135.00784	12.6
135.04440	7.5
136.98747	13.8
137.02374	17.6
139.00302	50.7
141.01866	75.6
147.04411	4.5
148.01590	5.0
149.02318	11.1
149.99530	3.7
151.00298	91.3
151.04002	3.7
152.01169	17.3
153.01868	49.2
153.10464	3.5
161.02403	7.6
161.04491	5.0
163.00308	43.8
164.00977	4.9
165.01894	9.3
166.99800	43.8
168.00613	21.4
169.01405	49.4
175.00246	5.6
175.03954	10.8
176.98286	7.1
177.01834	19.2
178.98262	5.7
178.99815	100.0
180.00175	5.0
187.03940	9.5
189.01877	8.9
190.99844	28.7
191.03381	4.3
193.01355	5.9
194.99355	30.5
197.00882	10.3
199.03960	12.7
201.01990	4.9
203.03462	8.0
204.97763	14.6
205.01360	14.3
205.98439	6.0
206.99323	53.3
207.99962	12.3
209.00900	25.9
215.03448	12.7
217.01447	3.9
217.04991	11.7
219.03070	5.8
222.98836	49.7
223.99590	19.8
226.02719	4.0
227.03433	13.2
229.01329	5.8
231.02939	4.1
233.04666	18.6
243.02995	22.7
245.04483	8.1
247.02542	11.1
250.06946	3.9
255.03154	4.7
259.02432	9.4
261.03967	11.5
269.01053	4.1
271.02521	40.7
272.03055	10.9
287.01962	25.4
289.03500	12.5
299.01950	6.9
300.02731	17.7
305.03107	12.2
315.01517	50.6
316.01831	7.3
323.57437	6.3
332.58020	7.0
333.02560	82.1
333.15570	6.3
333.19415	4.6
334.02972	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	333.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69904	4.2
54.89285	4.5
57.03344	10.3
59.01262	30.9
65.00226	11.0
67.75998	5.2
71.01287	6.0
71.55305	6.6
73.02853	6.6
78.26331	5.3
81.03337	8.5
83.01297	15.9
93.03362	26.5
95.01312	4.9
98.98779	4.6
107.01292	21.3
107.04988	7.5
109.02857	36.5
119.04971	7.3
124.01591	11.5
125.02354	90.2
131.04980	6.2
133.02884	9.4
134.03612	4.8
135.02878	9.4
135.04460	62.6
137.02388	91.7
138.02666	4.6
147.04472	11.8
151.00294	65.1
151.03946	15.5
152.01111	41.4
153.01773	5.8
159.04437	10.9
161.02344	6.0
165.01897	8.2
165.05547	6.4
169.01424	5.2
173.05989	6.9
174.03157	9.3
175.03992	24.8
177.01907	6.5
177.05495	7.1
178.99834	36.5
179.03467	41.7
189.05597	14.0
193.05052	16.6
199.04012	5.9
201.01836	6.2
201.05484	11.4
203.03510	19.0
205.01363	9.0
216.04254	14.1
217.04985	37.3
221.04562	40.2
227.03551	14.1
243.02762	5.8
245.04572	100.0
246.04892	6.7
247.02492	75.6
248.02840	10.1
261.04047	9.1
289.03625	79.9
297.06082	6.5
313.06784	5.2
333.19400	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	333.026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	7.3
59.01257	2.9
61.98717	1.2
63.02273	4.4
65.00208	8.7
67.01775	1.9
71.01266	2.2
71.18309	0.6
71.56558	0.9
72.99224	0.8
75.00763	1.1
78.97234	0.6
81.03336	1.9
83.01272	10.2
85.02841	0.8
89.03856	1.0
91.01776	0.7
93.03371	4.0
95.01291	3.3
101.02361	2.3
105.01763	0.6
107.01298	8.8
107.04872	3.1
109.02862	8.8
115.05463	0.7
117.03374	1.8
119.04977	1.0
121.02867	1.0
123.04506	0.8
124.01578	2.1
125.02370	26.4
129.07024	0.8
130.04190	1.3
131.04973	3.3
133.02916	4.3
134.03580	1.0
135.00841	2.0
135.02966	5.2
135.04448	56.2
136.04826	2.6
137.02370	9.0
139.05473	1.1
143.04939	1.6
145.06583	1.5
147.04434	2.9
149.02364	1.9
149.04579	0.6
149.06003	1.1
150.99142	1.0
151.00310	14.3
151.03963	2.0
152.00793	0.9
153.01891	1.0
153.05447	0.9
155.04874	1.7
157.02858	0.6
159.04442	5.8
161.02394	3.8
161.04529	0.8
161.05962	0.9
163.00314	2.6
164.01028	0.7
165.01848	3.5
169.01392	1.2
171.04417	3.2
173.02399	0.6
173.06036	2.3
174.03043	1.0
175.03969	8.1
177.01904	3.8
177.05504	4.3
178.99847	2.2
179.03458	21.9
183.04488	3.0
185.02396	1.3
185.09889	0.6
186.03014	0.7
187.03891	1.9
189.05515	2.8
191.03477	1.3
193.01448	0.9
199.04042	3.0
201.01917	1.5
201.05501	2.2
203.03464	6.8
205.05101	0.8
214.02696	1.6
215.03474	6.8
217.04984	4.1
219.02991	1.5
227.03510	5.4
229.01399	0.8
230.02089	1.4
233.04587	1.7
243.03033	6.1
245.04605	2.9
261.04114	1.4
271.02521	3.8
271.10825	0.7
289.03610	100.0
290.03937	7.6
297.06210	5.1
297.09827	1.8
333.02591	7.5
333.15619	2.6
333.19391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68513	0.9
59.01268	4.1
60.33825	0.8
71.01263	1.4
71.52095	1.6
71.52456	1.2
73.02832	2.3
75.00758	4.3
85.02843	1.0
91.05445	1.1
95.31523	0.9
96.95911	1.7
107.04947	1.9
109.02840	5.3
115.00272	3.0
117.01838	1.8
126.51499	0.8
128.78625	0.9
133.02869	2.9
134.03619	2.7
135.02960	12.3
135.04446	100.0
136.04771	4.9
141.29436	0.9
142.89900	0.8
151.03902	0.9
153.05522	4.2
161.02420	7.5
163.03986	2.4
171.06544	1.3
175.02472	1.0
179.03467	65.0
180.03752	2.7
191.07219	1.0
237.04056	3.1
297.06223	13.9
298.06528	1.3
301.81396	1.0
333.19617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.4
61.38109	0.3
69.34292	3.8
78.03379	1.1
80.04948	0.7
92.04954	2.5
94.02846	0.6
94.06515	4.5
104.04962	2.9
105.03373	2.3
106.06529	15.2
107.03681	0.4
107.06897	0.5
108.04432	1.9
120.04471	5.8
121.05239	1.4
122.02383	0.8
122.05135	0.8
122.06035	16.1
123.03180	1.6
123.06359	0.7
124.07616	0.7
131.03642	0.9
132.04477	8.1
135.03143	0.7
136.03935	0.5
138.05537	25.1
139.05852	0.6
148.03978	1.2
150.05533	3.0
159.06813	0.6
166.05057	1.0
174.12831	0.9
183.04662	0.4
188.07094	0.5
189.07910	1.2
200.05850	0.5
202.12369	0.7
203.09410	0.5
213.06680	0.9
214.07449	0.5
215.11835	1.9
217.07399	1.7
226.07500	0.4
227.08452	0.4
229.09790	1.2
231.09174	0.8
231.11351	1.4
241.09827	3.6
243.11403	2.2
259.10898	0.9
262.95599	0.4
271.10892	1.1
289.11990	100.0
290.12317	8.0
333.11005	9.1
334.11176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	8.2
61.98708	1.2
66.77387	0.6
71.01273	5.3
72.99197	0.9
73.02834	2.8
80.04962	1.1
80.76585	0.7
83.01269	1.9
85.02833	3.1
89.02327	2.1
94.06519	3.8
96.95927	1.4
97.41586	0.8
99.00786	0.8
101.02341	5.6
104.04941	2.2
105.03341	1.6
106.06544	10.4
108.04476	1.8
113.02328	2.6
120.04520	4.3
121.05261	1.1
122.06032	13.5
123.03165	1.2
125.02390	1.1
132.04472	6.3
135.02972	1.3
135.04428	2.4
136.03929	1.0
138.05537	15.2
139.00287	0.8
150.05513	2.6
161.04514	1.5
171.10185	2.2
189.07990	1.3
196.06947	0.8
215.11836	1.5
217.07480	1.5
219.09998	0.8
241.09802	3.0
243.11385	1.7
245.38916	0.8
289.11993	100.0
290.12274	5.9
333.10928	9.9
333.15567	9.4
333.19312	2.2
334.11224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99490	12.5
59.01267	4.4
68.18927	0.5
71.56489	0.9
74.98984	2.2
75.39688	0.4
96.95916	1.1
102.98499	100.0
103.98878	0.7
120.99573	8.0
122.74677	0.6
135.04462	1.4
139.11217	3.3
163.00621	6.1
163.03867	0.6
179.03479	1.4
193.45647	0.5
201.57060	0.6
201.89581	0.6
333.13724	2.7
351.79596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46837	1.6
57.03337	1.9
58.00476	4.4
59.01263	100.0
63.35209	1.5
71.01267	64.1
72.89795	1.7
72.99197	6.0
73.02842	3.8
80.30329	1.6
83.01248	3.4
85.02840	13.0
87.00785	4.6
89.02332	74.8
89.63998	2.2
95.01279	5.9
96.95900	4.6
99.00819	2.1
101.02344	39.8
113.02347	30.3
119.03412	37.1
119.04830	3.3
125.02327	2.4
131.03400	3.1
139.07561	5.0
143.03436	6.1
151.00314	4.5
151.06503	1.8
153.08025	2.5
153.09161	32.9
161.04517	4.2
163.00308	1.7
163.03906	3.3
171.10233	3.0
179.05540	7.7
185.87691	1.8
206.46837	1.8
229.60037	1.9
269.14423	1.9
289.11749	2.9
289.22021	1.8
315.01648	2.2
333.02365	3.9
333.15683	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	333.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46837	1.6
57.03337	1.9
58.00476	4.4
59.01263	100.0
63.35209	1.5
71.01267	64.1
72.89795	1.7
72.99197	6.0
73.02842	3.8
80.30329	1.6
83.01248	3.4
85.02840	13.0
87.00785	4.6
89.02332	74.8
89.63998	2.2
95.01279	5.9
96.95900	4.6
99.00819	2.1
101.02344	39.8
113.02347	30.3
119.03412	37.1
119.04830	3.3
125.02327	2.4
131.03400	3.1
139.07561	5.0
143.03436	6.1
151.00314	4.5
151.06503	1.8
153.08025	2.5
153.09161	32.9
161.04517	4.2
163.00308	1.7
163.03906	3.3
171.10233	3.0
179.05540	7.7
185.87691	1.8
206.46837	1.8
229.60037	1.9
269.14423	1.9
289.11749	2.9
289.22021	1.8
315.01648	2.2
333.02365	3.9
333.15683	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	335.0783
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
53.61788	0.5
55.01773	0.7
57.03328	0.8
59.01261	4.7
60.68336	0.6
68.65301	0.5
71.01278	2.3
71.56663	1.1
72.99169	0.8
73.02827	2.8
75.00791	0.8
81.03342	0.9
83.01300	1.8
83.04926	1.7
85.02847	2.2
89.02333	0.5
93.03355	11.2
93.03929	0.8
95.01299	0.6
97.42537	0.6
99.00787	0.9
99.04451	0.5
101.02335	3.1
107.04909	1.6
109.02860	1.3
111.00826	1.3
111.04423	3.6
113.02357	0.8
116.41325	0.5
117.03368	0.8
117.94453	0.5
125.02386	3.3
130.06566	1.8
133.02884	6.9
134.03687	4.3
135.04448	100.0
136.04773	4.2
137.02409	5.0
151.00284	0.9
151.24860	0.6
153.00072	0.5
155.03442	2.5
161.02379	22.3
161.04449	1.1
162.02742	0.8
169.80228	0.6
173.04501	1.6
177.01819	0.6
179.03459	79.5
180.03784	3.6
180.99657	1.8
190.02631	0.6
190.26144	0.6
200.07120	0.8
208.99127	3.0
214.91196	0.6
243.53668	0.5
246.63982	0.5
273.12408	0.6
279.31097	0.6
291.08847	1.1
291.13177	0.8
292.11945	6.0
297.09821	1.8
311.98389	0.6
335.04367	1.5
335.07788	30.2
335.21140	1.0
336.08005	2.2
336.11389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41078	2.0
55.01775	8.7
55.31890	1.7
57.03326	4.3
59.01261	42.5
60.82085	1.8
68.01322	2.0
69.85710	3.7
69.86111	7.8
71.01266	47.2
72.99191	3.7
73.02838	21.3
80.76592	1.7
83.01266	17.9
85.02837	43.9
89.02336	3.8
95.01277	5.7
97.02808	2.1
99.00784	8.7
101.02340	88.6
111.00784	4.8
113.02343	22.1
119.04918	11.3
122.04668	1.9
126.48644	1.7
128.04967	2.7
129.01859	5.7
130.06544	61.8
131.06863	2.1
135.02902	2.1
135.04398	4.5
136.04765	3.5
142.06520	8.5
145.02911	5.4
147.02960	2.0
159.02850	3.1
161.04555	5.1
163.03947	14.9
172.07646	9.4
173.02399	1.7
173.04465	3.7
174.05472	1.9
188.07137	2.5
191.01953	4.5
191.05553	3.3
200.07150	14.8
214.08675	2.0
227.15843	1.9
240.46126	1.9
267.00668	2.2
292.11948	100.0
293.12390	8.3
303.75009	2.1
336.10913	22.6
337.15140	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	337.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.3
56.49874	2.6
57.03331	14.8
59.01260	32.6
64.45517	2.3
71.01268	9.3
71.26202	2.5
71.58347	3.6
72.99194	5.9
81.03326	5.4
83.01270	6.7
84.02068	3.3
85.02841	100.0
87.00744	6.9
93.03347	9.3
95.01291	7.5
95.04942	5.2
97.02823	7.3
99.00792	13.0
99.04436	2.9
101.02371	3.2
109.02850	22.3
111.00793	15.6
111.04398	4.3
115.00257	10.0
116.80457	2.7
117.03366	3.7
119.04930	33.0
121.02849	8.4
123.00795	6.3
123.04427	7.3
124.01537	5.9
125.02362	39.3
126.28761	2.8
127.00269	8.6
129.01836	10.3
133.02852	8.9
133.79280	2.7
135.04477	13.6
137.02351	21.5
139.00296	19.1
139.03911	6.1
141.01848	11.7
145.02902	13.3
147.02913	11.5
147.04480	5.5
148.05086	3.8
149.02367	7.2
149.06018	20.0
151.03928	7.7
153.01875	29.1
154.99792	11.2
157.01369	3.4
159.04413	4.3
161.02365	20.7
161.05972	5.3
163.03963	41.6
165.01862	13.8
167.03410	10.4
169.01369	6.7
173.00845	4.5
173.04440	21.2
173.05782	2.8
174.03163	3.4
175.02441	9.7
175.03976	8.9
177.01845	16.4
177.05516	5.9
179.03419	4.0
181.01421	4.5
183.02847	4.6
187.03908	3.8
189.05513	9.6
190.05887	2.6
191.01900	18.1
191.03479	6.4
191.05507	5.6
203.07080	4.7
205.05028	4.1
209.04680	4.1
215.03342	4.8
219.03091	3.6
233.04521	12.1
237.04057	6.8
247.06262	6.8
257.04807	5.2
275.05661	9.8
293.06631	8.3
301.03525	5.5
319.04636	11.3
337.05545	25.4
337.09021	3.7
338.05957	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	337.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27981	0.4
53.77461	0.4
55.01766	1.8
57.03332	8.6
58.00470	0.5
59.01261	9.0
64.51349	0.4
65.27908	0.4
70.32636	1.5
71.01264	5.9
71.01623	0.7
72.99194	6.0
73.02866	0.6
75.00747	2.1
77.24680	0.5
83.01276	1.6
84.02046	2.0
85.02837	100.0
86.03165	1.8
89.02335	1.0
93.03336	1.3
98.02409	0.6
99.00787	0.5
101.02347	1.6
103.00269	1.0
107.47891	0.4
111.00781	1.5
113.02350	0.8
117.03371	7.2
119.04942	13.7
128.06415	0.5
129.01848	4.7
135.02902	2.8
135.04489	0.6
136.32219	0.5
138.41959	0.5
145.02879	42.3
146.03227	1.5
147.02922	51.1
148.03276	1.2
149.06038	1.0
161.04483	1.3
163.03946	16.6
164.04242	0.6
172.89679	0.4
173.00761	0.8
173.04477	2.5
177.02007	0.5
181.98534	0.5
187.07602	0.8
191.01892	3.2
191.05540	2.9
202.05072	1.1
220.06163	1.9
231.06458	0.8
277.12839	0.5
293.06714	8.1
294.07159	0.8
311.72507	0.5
337.05746	0.9
337.09338	0.5
337.15100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.6
57.03333	17.2
59.01260	14.1
62.09046	0.8
66.10359	0.7
71.01259	2.6
71.58899	1.2
72.99184	1.9
76.77873	0.7
83.01271	7.1
84.02046	2.4
85.02839	100.0
86.03168	1.8
93.03362	1.3
96.95904	1.6
97.02837	0.9
101.02288	0.9
111.00783	2.6
117.03396	4.7
119.04937	27.9
120.05324	1.1
129.01855	57.5
130.02165	0.9
135.04440	1.6
137.02367	1.2
145.02884	24.1
146.03244	1.0
147.02922	31.9
154.99828	3.3
157.05038	1.0
161.04526	1.2
163.03954	17.5
164.04330	0.9
173.00864	51.9
174.01208	1.5
175.06039	3.2
175.07486	1.5
180.91183	0.8
187.07753	1.1
191.05589	1.4
195.92603	0.7
203.07159	4.4
216.88388	0.7
231.06680	9.0
243.74449	0.9
257.04526	0.8
275.05444	1.1
319.04630	2.4
337.05716	9.6
337.12918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74762	0.7
55.01771	1.8
57.03333	12.8
58.36141	0.6
59.01265	5.4
68.99731	0.9
71.01267	2.1
72.99184	1.3
83.01275	2.0
84.02066	2.6
85.02840	100.0
86.03169	2.5
87.00818	0.8
93.03352	0.8
99.00765	1.3
101.02328	1.0
103.00267	1.1
111.00768	1.5
117.03349	7.4
119.04968	4.9
122.87344	0.7
129.01852	3.1
141.71382	0.7
145.02881	28.3
146.03206	1.5
147.02930	18.5
148.03244	0.7
148.94040	0.8
149.06009	0.7
163.03984	4.6
173.00954	1.4
173.04501	2.6
177.05341	0.6
191.01944	82.0
192.02274	2.1
196.95663	0.7
208.89366	0.8
229.50006	0.8
247.80542	0.6
293.06705	1.8
312.27979	0.8
333.46643	0.7
337.08463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03333	11.4
59.01260	10.0
69.03349	1.5
69.40476	1.7
69.40891	5.2
71.01266	2.9
71.11388	0.7
72.99196	1.4
75.00739	1.2
83.01278	3.3
84.02048	3.1
85.02839	100.0
86.03181	1.2
93.03365	1.5
97.02810	0.7
98.19797	1.3
99.00773	2.7
101.02364	1.1
101.94737	0.7
103.00272	1.0
103.87960	0.9
111.00784	2.5
111.04412	0.8
116.13841	0.7
117.03363	3.1
119.04943	16.0
120.05322	0.7
120.92832	0.7
121.16978	0.9
129.01862	8.0
134.87505	0.8
145.02890	18.1
145.87656	0.7
146.03209	1.0
147.02911	11.5
147.04182	1.0
147.04486	0.8
151.00206	0.8
160.87648	0.7
163.03949	15.9
164.04312	1.0
170.83769	0.7
173.00845	4.5
173.04596	2.1
179.83632	0.7
185.00716	0.8
185.05951	0.8
191.01942	82.1
191.05533	8.6
192.02296	1.8
203.07220	1.2
231.06711	4.0
337.05728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75422	0.8
55.01764	2.2
56.24092	0.9
57.03338	13.7
58.00488	0.9
59.01265	12.3
67.01779	1.6
68.99706	1.0
70.86049	2.3
71.01277	8.1
72.99176	2.0
74.43876	0.9
75.00768	1.9
75.55795	0.8
81.58950	1.0
83.01278	5.3
84.02045	4.5
84.46949	0.9
85.02841	92.4
86.03175	2.1
87.00776	3.1
89.02338	2.5
93.03352	9.0
93.53666	0.8
96.95898	1.4
97.02881	1.0
99.00748	1.0
99.30364	0.9
101.02344	3.0
109.02856	1.5
111.00784	15.3
111.04449	2.9
113.02383	2.1
117.03407	5.9
119.03496	1.9
119.04941	54.2
120.05291	1.2
120.15309	0.9
121.02926	1.6
122.24414	0.9
125.02384	3.0
127.03938	1.5
129.01862	16.8
133.02809	1.0
133.06548	1.4
135.02975	1.2
135.04454	1.4
137.02397	1.7
145.02884	41.6
146.03236	2.4
147.02939	8.0
147.04483	2.6
160.05244	1.8
163.03958	53.9
164.04323	1.4
173.00859	5.2
173.04541	5.7
175.04004	1.2
177.05505	1.7
187.07617	1.0
190.15340	1.0
191.01968	27.5
191.05580	100.0
192.05945	3.2
203.07132	2.8
220.06178	2.1
231.06642	12.5
264.01794	1.9
272.21091	0.9
293.06781	2.2
293.13943	1.8
337.05624	3.6
337.09442	4.1
337.15363	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	337.0784
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01768	2.4
57.03329	5.3
58.00466	0.9
59.01262	18.6
68.99698	5.0
69.03336	1.0
69.81319	3.6
71.01267	24.7
72.99191	2.8
73.02840	4.9
75.00758	3.6
80.59357	0.7
83.01282	4.9
85.02834	27.4
87.00768	16.6
89.02332	11.9
93.03347	1.9
95.01258	3.1
97.02812	1.8
98.19839	0.8
99.00777	10.2
101.02341	9.3
111.00775	5.1
112.98714	0.8
113.02353	15.5
113.99493	19.4
115.00288	25.9
115.03945	0.9
115.98204	0.7
117.01863	1.0
119.03394	3.1
123.40130	0.7
125.02376	0.9
127.00288	13.9
129.01871	5.6
131.03447	1.9
137.02350	3.1
139.00281	3.4
139.03938	4.7
141.01799	1.7
145.01331	1.0
149.04480	0.8
157.01358	16.4
159.02931	1.8
161.04457	3.0
161.05728	0.8
169.01326	1.2
174.01653	20.3
175.02429	35.6
176.02702	1.2
179.05589	4.2
277.05685	19.2
278.06180	1.1
288.22174	0.8
337.07819	100.0
338.08072	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	337.0937
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.01756	1.4
57.03331	7.5
59.01267	4.9
60.70034	0.6
67.01767	4.4
68.26175	0.7
68.99701	0.9
69.03327	1.0
69.71146	3.8
71.01264	4.9
72.99198	0.5
73.02829	0.7
73.64978	0.5
77.98414	0.5
81.03336	0.7
83.01268	1.3
83.04935	0.6
84.02061	1.1
85.02839	52.6
86.03185	1.0
87.00751	0.6
89.02362	1.0
93.03353	26.1
99.00785	0.9
101.02359	0.8
103.06967	0.6
109.02861	1.1
111.00790	2.3
111.04441	4.4
113.02386	1.0
117.03384	4.0
118.30484	0.5
119.04939	17.2
129.01849	4.0
137.02364	4.6
138.81837	0.5
145.01712	0.6
145.01930	0.4
145.02876	14.7
147.02937	7.6
155.03439	4.5
163.03960	19.7
164.04309	1.2
173.04503	100.0
173.82498	0.6
174.04829	4.4
191.01938	36.5
191.05489	2.8
192.02318	1.2
258.74905	0.5
260.55304	0.6
287.87683	0.6
293.87122	0.7
303.95108	0.6
337.09378	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	337.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07040	0.2
57.03347	0.3
59.01261	0.9
69.79658	0.9
69.80070	0.5
71.01253	0.3
73.02826	0.4
81.03339	0.3
83.04906	0.8
85.02841	2.3
87.00768	0.5
93.03361	3.5
94.76156	0.2
109.02836	0.3
110.06163	0.2
111.04422	2.7
119.04938	60.3
120.05296	1.9
127.03886	0.5
129.01929	0.3
135.04536	0.3
145.02859	0.4
155.03436	2.4
163.03952	100.0
164.04291	4.9
173.04501	4.5
174.04852	0.3
191.05586	17.4
192.05963	0.3
207.27580	0.2
223.53110	0.2
226.50063	0.2
238.33279	0.2
337.09344	4.3
338.09641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0936
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.04094	0.2
57.03327	0.7
59.01257	2.5
67.01768	0.8
69.03338	0.5
70.58178	0.6
71.01263	1.4
72.99199	0.4
73.02834	0.4
78.75118	0.2
81.03350	0.3
83.01282	0.4
83.04892	0.2
85.02840	12.2
87.00768	2.1
89.02340	0.2
93.03352	4.5
96.95889	0.2
97.02909	0.2
99.00774	0.5
99.04393	0.2
101.02341	0.2
105.60817	0.2
108.02105	0.2
109.02847	0.7
110.54841	0.2
111.00753	0.3
111.04426	1.4
113.02331	0.2
117.03353	0.3
119.04934	2.7
121.02911	0.2
125.02422	0.3
127.03949	1.6
128.32846	0.2
129.01849	0.8
145.02866	1.9
147.02927	0.7
155.03429	0.2
163.03964	2.9
171.02948	0.4
173.00829	0.2
173.04494	2.1
191.01953	4.7
191.05576	100.0
192.05920	3.6
192.97424	0.2
231.06688	0.2
336.73563	0.1
337.09360	3.0
338.09396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0935
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01261	2.0
66.83122	0.4
71.01275	0.5
71.44800	0.6
71.45149	0.7
71.49611	0.4
81.03370	0.4
85.02839	4.4
87.00768	0.7
93.03358	3.4
111.04402	2.9
119.04937	66.8
120.05300	2.4
127.03918	1.0
137.02338	0.5
145.02863	0.9
147.02902	0.5
155.03369	2.3
163.03944	100.0
164.04269	4.2
173.04442	4.5
173.05569	0.4
191.05569	43.2
192.05927	1.6
220.02646	0.4
259.16501	0.6
323.88507	0.5
337.09311	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	337.2026
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
53.12148	1.7
57.03334	4.0
59.01263	24.5
67.01779	2.1
69.03345	3.0
71.01255	2.7
71.04892	2.4
71.56017	2.2
79.05403	2.1
81.03337	5.1
83.04913	5.1
93.03343	2.6
95.01270	2.2
95.04928	6.9
97.02845	4.5
97.06495	7.9
106.04092	1.5
107.04935	41.4
108.05248	1.7
109.02882	2.3
109.06500	3.2
111.04420	3.4
115.01109	1.3
116.54187	1.4
119.04921	3.9
120.05709	1.8
121.02865	2.4
121.06483	1.9
123.00826	1.9
123.04440	16.5
123.08043	5.7
125.02365	4.2
125.06010	15.3
125.09634	24.5
130.06578	1.5
135.08093	24.5
137.06010	12.1
137.09554	1.6
147.04434	5.8
149.06004	1.5
149.09712	1.7
149.25281	1.7
151.07536	2.1
151.11285	2.0
153.09166	24.2
161.06018	2.7
161.09673	1.8
163.03923	1.6
163.11235	6.1
165.09166	3.3
174.06747	1.5
175.07542	3.4
176.08385	8.4
177.09056	2.1
179.10727	2.2
185.11783	16.1
189.09288	1.9
189.12813	6.0
191.10760	16.8
194.18242	1.6
197.11813	5.5
207.10246	3.4
209.11827	3.6
217.12273	8.6
225.11275	3.2
239.12791	2.3
243.15166	3.1
243.17542	33.5
244.17873	3.8
250.12151	1.9
259.17114	2.5
261.18637	6.3
267.12415	7.1
269.15549	3.9
275.12830	2.6
287.16592	37.8
288.16782	3.0
293.21292	5.3
304.16727	1.7
305.17621	42.9
306.18076	4.0
319.19189	100.0
320.19492	9.2
320.63168	1.4
322.17935	13.5
337.20245	51.5
338.20474	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	337.2027
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
59.01259	48.5
69.03336	3.4
69.84826	15.2
71.01298	3.3
81.03343	4.4
83.04914	3.3
84.94238	2.3
95.04941	9.4
96.95919	2.5
97.02857	4.1
97.06512	4.8
98.19871	4.7
99.04446	5.1
106.04138	3.1
107.04923	37.2
109.06486	5.0
111.04446	3.7
118.88634	2.4
119.04955	3.2
123.04453	17.1
123.08051	4.4
125.02364	6.0
125.06016	18.4
125.09635	25.3
135.08083	26.7
137.05994	8.8
147.04401	4.5
150.75180	2.9
153.09134	29.0
161.04646	3.0
161.09654	4.1
163.11255	7.4
165.09161	3.1
174.05875	2.7
175.07562	3.7
176.08328	8.6
176.17273	2.7
180.82443	2.9
185.11789	20.7
186.12175	3.2
189.09084	2.7
189.12749	4.9
191.10757	14.7
197.11865	5.3
207.10240	5.0
208.34659	2.7
209.11916	3.9
217.12346	6.6
239.16562	5.1
243.17569	31.7
244.17940	2.8
261.18677	4.8
267.12399	8.5
269.15628	5.6
277.09332	3.5
287.16592	35.7
288.17111	4.9
293.21112	7.8
305.17596	34.7
306.17923	3.2
319.19199	100.0
319.22681	13.8
320.19583	9.4
322.17899	15.5
337.20197	42.2
337.23920	3.9
338.20789	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	337.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.00976	0.8
59.01256	6.4
70.59119	2.9
70.59467	1.1
71.79386	0.9
97.46194	1.0
111.08060	32.5
114.32505	0.9
127.07519	2.2
181.15883	1.4
196.19753	1.0
197.15405	7.8
207.13911	2.0
209.15503	1.3
221.15350	1.6
225.14952	100.0
226.15413	4.7
227.16464	4.7
239.16568	12.5
255.16002	1.9
258.14954	1.0
291.23322	7.9
293.21292	3.4
301.21692	2.9
319.22861	19.9
320.23245	2.1
337.23877	52.0
338.24307	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05962	1.0
57.03339	1.5
58.00470	1.7
59.01263	10.1
69.03339	0.9
69.29377	0.9
71.01260	1.1
71.57675	1.1
73.02823	1.2
76.14185	0.9
92.39754	0.8
93.06954	1.0
97.06472	1.0
109.06499	1.3
111.08070	34.1
112.08434	1.3
113.93568	1.0
118.77882	0.9
127.07572	3.8
131.10150	0.9
163.03978	1.2
165.12779	1.1
166.30255	0.9
171.10190	0.9
179.14409	2.2
181.15932	2.6
191.05452	0.9
197.15482	7.6
207.13818	2.5
209.00639	1.0
209.15381	2.9
211.16942	1.9
221.15469	1.7
225.14969	100.0
226.15329	5.9
227.16527	5.0
236.85764	1.0
239.16547	12.3
255.16046	2.3
291.19794	4.1
291.23337	7.6
293.21317	2.6
301.21622	1.7
305.17468	3.0
309.20786	4.2
319.22824	24.2
320.23062	2.1
337.23898	61.2
338.24341	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	337.2391
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
53.06253	0.6
54.41869	0.5
59.01000	0.7
59.01266	10.9
63.57941	0.6
66.10917	0.5
69.03330	0.5
70.63144	1.6
70.74692	0.5
95.04851	0.6
97.06481	2.2
113.09634	0.9
115.07552	2.0
119.04922	0.6
125.05982	1.0
126.06749	0.7
127.63169	0.6
130.93324	0.6
141.09126	0.9
159.09615	0.5
163.04012	1.1
165.12814	0.9
193.15985	1.3
195.17538	1.9
197.11818	1.4
209.15456	3.2
211.16917	1.5
221.15486	1.4
223.16983	1.9
239.16499	3.0
241.18053	1.1
249.18604	1.6
267.16272	0.9
268.16788	1.3
269.17545	0.9
273.22443	0.8
275.23795	2.7
291.23581	0.9
295.22861	2.5
298.79877	0.6
301.21854	2.7
309.21097	1.0
309.24445	2.0
319.22830	41.4
320.23135	3.8
337.23904	100.0
338.24228	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	339.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.6
63.13931	0.2
64.58949	0.2
70.28600	0.2
70.57271	0.4
70.57664	0.3
77.72815	0.2
81.03369	0.3
89.03864	1.2
104.02547	0.4
105.03378	2.1
119.04940	0.3
133.02879	5.4
148.01559	0.4
149.02362	0.7
163.03975	0.4
165.04398	0.3
176.01140	1.5
177.01889	100.0
178.02225	4.3
193.06012	0.2
202.77904	0.2
314.87793	0.2
339.07248	15.1
340.07687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01584	0.8
61.44936	0.5
64.03569	0.4
69.91763	2.5
71.01266	2.8
71.07478	0.4
72.99178	0.7
73.02844	1.0
83.01273	0.7
85.02882	2.1
85.03319	0.5
101.02352	3.3
103.00256	0.6
113.02390	1.5
119.04945	1.0
121.77796	0.4
129.95581	0.4
133.02910	2.1
135.04410	0.5
157.07408	0.4
159.64145	0.4
161.04543	2.3
163.02600	0.8
163.03987	1.6
175.06137	0.9
177.01927	1.0
193.07205	2.8
258.64743	0.4
279.14554	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	339.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52118	0.4
59.01262	3.1
69.03317	0.5
70.68368	1.0
70.68732	0.8
72.99197	2.6
83.04876	0.5
97.06484	4.9
102.42993	0.5
113.08223	0.4
125.05998	18.8
126.06303	0.5
143.07071	71.5
144.07397	2.1
148.95042	0.5
151.11220	14.1
167.10742	0.8
169.12289	98.1
170.12630	5.0
195.10274	1.0
213.11311	100.0
214.11650	7.0
245.19072	0.6
246.99345	0.4
321.20941	0.7
339.18219	17.1
339.21991	1.2
340.18390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84727	0.5
57.03337	1.1
59.01271	2.7
61.18177	0.5
70.48849	1.1
71.01295	0.4
93.68527	0.5
94.51638	0.5
94.77225	0.5
107.04955	0.8
111.08055	0.9
119.04946	0.5
121.91859	0.5
123.08032	0.4
125.09637	1.7
163.11192	1.0
165.12764	5.9
167.10658	0.5
181.12280	1.0
191.14427	0.8
209.11800	0.8
217.16003	0.6
228.90002	0.5
247.20639	1.3
255.90317	0.5
266.61630	0.5
270.13089	0.9
273.18661	2.8
291.19702	100.0
292.20035	9.2
293.21286	12.5
294.21692	1.4
305.21280	1.1
315.20267	0.4
324.17682	1.7
334.21246	0.5
337.92969	0.5
339.15875	1.0
339.20007	18.0
340.20288	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2183
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
54.67777	0.6
57.03340	3.3
58.19825	0.6
59.01258	6.1
64.30727	0.6
67.05418	0.7
69.03326	1.1
69.23278	0.6
69.38750	2.4
69.39183	3.7
74.32272	0.6
80.02530	1.3
81.03354	2.6
83.04897	1.4
85.02826	1.0
95.01263	0.8
95.04919	2.6
97.02850	4.5
97.06490	2.1
98.03648	1.0
103.87373	0.6
106.04168	0.6
108.02154	0.7
109.06495	1.5
111.08041	1.0
113.05939	0.7
121.06493	1.9
121.23629	0.7
123.04422	5.2
123.08086	3.1
125.05991	0.9
125.09651	7.3
127.07558	1.7
128.81914	0.8
131.04900	0.7
135.08130	1.4
137.06027	1.1
137.09662	6.9
138.62151	0.7
139.07547	4.4
141.12794	2.5
142.52232	0.7
149.06001	2.3
149.09724	0.8
151.11186	1.0
155.10713	2.0
160.08969	0.8
161.09648	1.5
163.07559	1.5
163.11232	9.0
164.08372	0.9
165.09152	1.1
165.12845	0.8
170.71803	0.7
171.10155	1.1
177.12793	2.4
178.13109	0.6
179.10706	1.8
181.12292	2.3
185.11795	12.8
191.10721	2.8
191.14372	11.5
192.14795	1.0
192.62433	0.7
195.10289	0.8
207.10225	7.7
209.11888	1.3
217.15947	2.1
221.11855	1.0
225.11308	4.9
226.11967	1.0
227.18091	0.8
231.10234	0.9
241.14586	0.8
243.17506	1.0
245.19122	31.9
246.19405	1.7
247.17075	1.2
263.20251	1.0
271.17084	2.3
289.18152	100.0
290.18500	10.0
307.19205	38.3
308.19666	3.1
321.20740	7.9
324.19550	6.0
339.21817	82.3
340.22125	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	339.2334
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.76200	0.4
70.18109	2.0
78.50925	0.4
98.20544	0.5
147.08014	0.4
155.20296	0.4
163.11226	100.0
164.11560	5.3
261.51096	0.4
318.56201	0.5
339.23340	65.9
340.23663	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	339.2546
Annotation	Blepharizol A
Peak:m/z	Relative Intensity
59.01265	100.0
60.01612	0.9
66.99578	0.5
68.11466	0.5
71.24614	1.1
76.96449	0.7
79.15966	0.5
90.06374	0.5
120.86086	0.6
163.11275	2.2
183.01157	0.8
279.23340	7.2
297.24402	36.5
298.24814	2.4
323.08566	0.7
339.16516	1.3
339.20206	2.2
339.25485	17.0
340.25922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2546
Annotation	Borjatriol
Peak:m/z	Relative Intensity
54.85712	1.7
57.03347	2.0
58.04686	1.4
59.01265	22.7
60.29158	1.5
71.01260	2.4
71.57478	1.7
71.57887	2.4
75.71806	1.5
80.03303	1.4
83.04906	1.6
92.67201	1.5
98.36730	1.6
99.08051	3.6
113.09586	3.0
127.07586	2.4
129.09149	7.7
163.11224	6.5
179.14420	2.4
181.16071	2.1
183.01266	1.7
197.15437	3.4
197.51483	1.6
204.78960	1.7
207.13925	1.5
209.15477	7.1
211.17046	2.4
221.15517	2.8
225.14923	17.3
227.16589	6.2
238.37491	1.6
239.16516	23.8
240.16919	2.8
243.57231	1.4
267.20096	1.6
294.66177	1.7
321.24432	16.7
339.25473	100.0
340.25836	9.6
362.13635	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	340.0467
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
54.11395	0.8
59.01252	3.3
63.02290	4.5
63.43890	0.8
65.00201	4.8
71.01241	1.6
71.20586	1.9
73.40331	0.7
77.68268	0.7
79.25341	0.7
83.01283	5.3
84.68902	0.7
89.02333	0.9
89.22382	0.7
91.50069	0.8
95.01272	1.5
107.01291	10.4
108.02123	1.5
120.02111	0.9
121.02830	1.1
124.01540	1.3
125.02331	4.4
133.02872	2.9
133.46016	0.8
135.00815	1.2
135.04408	1.5
138.36349	0.8
148.01596	4.7
149.02135	0.9
149.99577	1.5
151.00302	21.4
160.03954	3.8
161.02377	7.2
163.00310	3.0
164.01131	3.7
169.01392	3.1
176.01091	1.0
177.01903	1.9
178.99873	6.8
179.03481	1.3
183.04474	1.7
186.01894	4.8
187.00270	2.3
187.02426	1.2
188.03453	1.3
199.04007	1.7
203.03482	1.2
211.04079	1.4
212.03505	5.2
214.01414	30.5
215.01727	1.1
215.03574	1.5
217.01144	0.8
217.04903	0.9
227.03465	4.2
228.04095	0.9
231.01767	1.5
232.02545	1.0
236.03532	1.3
238.01469	1.2
241.05116	1.1
243.03157	4.3
254.02252	1.3
254.04605	2.0
255.02995	8.5
256.03613	1.6
257.04419	0.8
267.03033	2.7
269.04630	1.2
271.02533	21.8
272.03058	2.8
283.02478	1.5
285.04117	11.6
286.04507	1.2
294.04379	1.8
295.02560	5.2
296.05725	1.0
299.02014	1.5
300.02798	100.0
301.03128	7.3
312.01776	0.9
313.03574	9.8
322.03616	17.0
323.04013	1.9
340.04620	37.7
341.05035	2.8
348.30057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.047
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
59.01274	4.3
63.02021	0.8
63.02298	5.7
65.00218	4.8
65.60987	0.9
65.99747	1.1
66.89555	0.8
69.50942	2.9
69.51376	4.1
71.01257	2.0
83.01293	6.8
85.02827	1.5
89.02323	2.4
89.80308	0.8
101.02357	1.5
102.98505	2.9
107.01302	10.0
108.02090	0.9
124.01521	1.2
125.02368	3.9
126.65248	0.8
133.02898	4.3
134.35085	0.8
135.00800	1.2
135.02937	1.2
135.04474	1.7
137.02290	1.3
148.01607	3.4
150.99138	1.4
151.00302	18.0
160.04008	4.2
161.02400	5.6
161.68111	0.8
163.00322	1.8
164.01096	3.8
164.04324	1.1
169.01389	3.6
177.01883	1.3
178.99794	7.2
179.03410	1.1
179.05620	2.0
186.01947	7.0
187.00385	1.5
187.02351	1.0
193.07184	3.2
194.07407	1.2
199.04033	2.4
203.03540	1.0
212.03413	6.6
213.05588	1.6
214.01440	39.1
227.03458	3.1
236.03645	2.2
239.03708	0.9
241.05020	1.8
243.03023	5.7
250.05322	1.3
254.04636	3.7
255.02971	7.0
256.03687	1.5
257.04599	1.1
267.03079	2.1
269.04446	2.1
271.02527	16.9
272.03015	2.5
278.04709	2.2
283.02451	2.4
285.04160	14.6
294.04132	1.6
295.02594	4.3
299.02109	1.9
300.02835	100.0
301.03223	9.0
313.03583	10.2
322.03677	23.7
323.03989	2.5
340.04684	37.9
341.05029	3.3
341.11996	2.0
342.69006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0883
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
53.68614	0.2
59.01259	3.0
70.90446	0.5
71.01266	2.2
75.00785	0.6
79.54894	0.3
85.02856	0.3
87.00774	0.4
87.14388	0.2
89.02339	2.4
101.02338	0.9
107.04951	0.8
113.02349	0.6
117.03354	0.3
119.03416	1.1
133.02824	0.4
134.03688	3.1
135.04446	100.0
136.04782	3.4
143.03404	0.5
149.93234	0.3
161.02397	0.8
161.04446	0.3
177.01904	0.6
179.02092	0.5
179.03496	3.3
179.05547	2.3
188.19063	0.3
193.05017	0.8
195.05090	0.3
341.08414	0.8
341.11011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0883
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
54.23242	0.2
57.17367	0.2
59.01261	1.5
69.94831	0.6
69.95226	0.7
71.01283	0.9
75.00758	2.0
77.01542	0.2
80.81001	0.2
83.36964	0.3
85.02855	0.3
85.80788	0.2
87.00774	0.3
89.02340	1.3
98.19919	0.4
100.76496	0.3
101.02315	0.4
107.04960	0.8
117.03416	0.3
119.04958	0.4
129.01808	0.4
134.03668	3.5
135.04443	81.9
136.04776	3.1
137.02370	0.4
143.03493	0.5
147.20181	0.3
151.00311	0.3
163.04041	0.4
165.04028	1.6
178.02612	0.4
179.03456	100.0
179.05415	3.3
180.02292	0.2
180.03807	4.2
193.05020	0.9
195.05063	1.1
239.99025	0.2
341.08820	18.1
342.09198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0884
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01263	5.8
60.85762	0.4
69.73436	1.3
69.73856	1.1
71.01270	5.0
71.04902	1.4
72.73653	0.3
72.99195	2.7
73.02837	2.3
75.00761	33.8
81.03342	3.1
85.02851	0.8
87.00764	2.9
89.02338	3.8
91.05440	1.2
93.03384	0.8
97.86404	0.4
99.00791	1.8
99.04408	1.0
101.02350	1.6
107.04929	1.5
113.02376	1.0
117.03363	0.5
119.03406	0.7
119.04951	1.0
133.02892	0.8
134.03664	5.6
135.04445	41.1
136.04776	1.5
137.06003	0.4
143.03426	7.5
161.02374	2.0
161.04507	2.9
163.03914	1.0
165.04025	1.2
179.03502	11.3
179.05566	100.0
180.03821	0.4
180.05904	3.2
193.05020	4.3
195.05098	1.4
229.82727	0.4
281.09311	0.4
341.08405	5.7
352.94409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43993	0.7
55.01766	1.4
56.75475	0.7
57.03334	15.9
59.01263	11.1
70.01693	4.0
71.01268	8.9
72.99197	1.6
73.02831	1.2
74.95770	0.7
75.00764	6.7
83.01263	1.0
85.02837	2.3
87.00772	1.9
89.02332	8.8
89.03856	2.8
93.03372	1.5
95.01292	0.9
98.19836	0.8
99.00761	3.6
101.02346	5.4
102.76924	0.7
105.01842	0.8
106.04131	0.9
107.04922	1.1
109.02866	4.7
113.02345	1.4
117.03365	8.9
119.03396	3.3
119.04922	1.5
121.02869	15.4
122.03154	1.0
125.02347	2.6
129.01846	1.5
133.02914	1.4
134.03654	86.5
135.04482	14.1
137.02386	4.5
143.03398	2.3
147.02917	7.7
147.04001	1.1
149.06012	7.7
150.03163	0.8
151.00261	1.0
151.03860	1.1
153.01872	1.3
161.02380	1.3
161.04550	1.2
161.06004	2.3
163.03964	2.1
165.01936	1.5
165.03960	3.5
176.03525	0.7
178.02667	4.7
179.03528	11.3
179.05545	16.9
179.07088	58.8
180.07446	1.7
193.05028	100.0
194.05339	4.8
195.05022	1.8
198.66534	0.8
204.31586	0.7
287.05676	0.9
305.06738	2.4
341.08890	4.0
341.12509	1.5
342.06467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01263	7.3
61.79721	0.5
71.01271	4.3
71.04915	1.0
72.99205	3.4
73.02828	2.3
75.00763	39.9
76.01095	0.5
81.03362	2.3
84.02061	0.4
85.02861	1.9
87.00769	4.0
89.02336	2.4
89.03856	0.6
99.00784	3.1
99.04424	1.3
101.02357	1.5
108.75159	0.4
113.02341	0.7
117.03374	3.8
118.03669	0.4
119.03457	0.7
129.01866	3.0
133.02893	0.7
134.03662	38.9
135.04482	10.2
136.04730	0.4
143.03426	7.5
146.94109	0.4
147.02916	6.2
149.06038	2.9
161.02428	2.3
161.04500	3.7
165.03999	26.9
166.04309	0.6
176.39436	0.4
179.03552	5.2
179.05568	100.0
180.05940	3.0
193.05032	35.3
194.05428	1.3
202.43588	0.4
215.61540	0.4
224.37312	0.4
229.22581	0.4
234.73944	0.4
341.08694	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	341.1096
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01778	0.8
57.03336	1.9
58.00481	4.0
59.01265	100.0
60.01602	0.9
66.28693	0.3
71.01270	73.9
72.01611	1.0
72.99199	4.0
73.02834	2.4
75.00762	2.5
81.03320	0.5
83.01279	2.4
85.02843	10.2
87.00768	4.4
89.02338	85.9
90.02629	0.8
95.01287	4.2
95.04919	0.3
97.02852	0.6
99.00769	1.0
101.02347	34.0
102.02681	1.0
107.03413	1.0
113.02355	26.7
114.02698	1.2
119.03418	28.4
119.04864	1.0
120.03748	0.8
125.02343	1.4
131.03442	4.5
131.80887	0.4
134.03673	0.9
135.04449	11.8
136.04778	0.5
139.00162	0.4
143.03444	7.7
143.04556	0.6
147.02905	0.3
147.20569	0.3
149.04517	2.9
153.01802	0.4
158.40343	0.4
161.04504	10.7
163.03920	1.3
172.64230	0.3
177.03964	0.4
179.03474	7.3
179.05566	43.2
180.05925	1.2
191.33682	0.4
193.05057	0.3
195.05055	0.4
305.06686	0.6
341.10956	49.4
342.11334	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	341.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05099	0.2
59.01263	2.8
71.01258	2.4
73.02827	0.4
75.00717	0.2
85.02850	0.3
87.00775	0.3
89.02325	2.2
89.03860	0.3
95.01300	0.3
95.04922	0.8
101.02353	1.3
104.24069	0.3
107.04912	1.6
109.02863	6.3
109.09006	0.3
113.02375	0.7
117.03411	0.5
119.03410	0.8
119.04908	0.8
121.02876	0.6
122.39059	0.3
123.04437	5.3
133.02887	1.5
135.04439	1.2
137.02365	1.0
143.03439	0.3
145.02847	0.4
147.04422	1.1
148.01509	0.3
148.40521	0.3
149.02377	0.5
150.03093	0.3
151.00275	0.3
151.03943	2.9
159.04427	0.6
161.02374	1.2
161.04532	0.4
162.03200	0.5
163.03986	2.1
164.04733	100.0
165.05077	4.3
175.03938	0.4
176.01056	0.6
177.01889	8.6
178.02257	0.3
179.03853	2.6
179.07091	92.4
180.05850	0.5
180.07407	4.5
187.03966	0.8
189.01895	17.6
190.02626	5.0
191.03468	3.2
203.03378	1.8
216.00624	2.7
217.01405	8.2
218.02118	0.8
219.02983	3.7
219.40846	0.3
219.67961	0.3
229.44493	0.3
231.02972	2.8
232.03523	0.6
237.05626	0.4
281.04446	1.4
297.04620	0.4
297.07852	1.2
323.05655	0.4
341.03238	1.2
341.06738	31.9
341.11285	2.3
342.07062	3.0
342.10999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1249
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03334	22.9
58.03657	0.3
59.01263	6.2
59.01557	0.2
69.33152	2.5
69.42333	0.3
70.91019	0.3
71.01267	4.7
72.97442	0.3
72.99182	0.4
75.00759	1.9
79.13612	0.3
85.02842	1.1
87.00761	0.7
89.02336	5.6
93.03348	1.0
95.01254	0.3
95.04302	0.3
99.00746	0.3
101.02334	2.3
109.02853	2.3
113.02330	1.7
116.78834	0.3
117.03362	0.3
119.03423	1.7
120.67295	0.3
121.02869	22.2
122.03217	1.0
129.01797	0.3
134.03650	5.8
135.04459	6.9
143.03432	0.9
144.04492	0.4
147.02966	0.5
149.04498	0.4
149.05966	0.4
150.32320	0.3
151.00305	1.0
161.02422	0.7
161.04506	0.8
165.03989	2.7
179.03787	4.9
179.05615	8.3
179.07080	100.0
180.05904	0.4
180.07454	4.2
193.05029	5.3
341.05197	0.7
341.12064	3.2
342.07693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00782	0.3
59.00997	0.3
59.01260	4.9
69.41935	1.4
69.42359	1.1
71.01266	3.3
74.77478	0.3
77.23198	0.3
81.03333	0.3
89.02338	3.1
91.05402	0.9
96.95964	0.3
98.78426	0.3
101.02326	1.1
103.79359	0.3
109.02850	0.4
113.02325	0.9
119.03425	1.4
131.03452	0.3
135.04419	0.9
137.02328	0.7
145.02892	3.2
146.03625	0.6
161.02411	0.5
161.04486	0.4
162.81145	0.3
165.01907	1.6
166.06352	0.3
175.07629	0.8
179.03523	0.6
179.05531	1.5
179.07001	0.5
180.05727	0.5
180.99602	0.8
189.01839	0.4
194.07297	0.6
195.04568	0.3
196.02020	0.7
196.05278	1.2
197.09776	0.4
199.07617	0.4
207.08034	0.5
209.06091	0.6
210.06784	0.8
211.04245	0.8
211.07672	0.7
213.09134	0.4
221.06155	0.4
222.06848	0.8
223.07542	0.6
224.04797	5.6
224.08389	0.9
225.05328	0.7
225.09081	1.4
227.10841	1.7
229.08624	0.4
235.07634	0.5
236.08426	0.5
237.05579	0.6
237.09163	0.6
238.06358	7.0
238.10001	0.4
239.06989	0.9
239.10780	2.5
241.08704	3.2
250.06219	0.6
251.07137	1.6
252.04260	1.6
252.07840	0.9
253.08643	1.8
254.09477	2.2
255.10320	9.9
256.10718	0.8
263.07166	0.6
265.05057	0.4
265.08725	1.0
266.05884	5.4
267.06442	0.9
267.10324	2.5
269.11853	3.4
270.05414	1.6
270.12628	3.4
280.07394	0.4
281.08206	0.8
281.11719	0.4
282.08920	1.7
283.09805	47.3
284.10144	3.6
294.08990	2.3
295.09799	5.1
296.10535	3.3
297.11301	3.0
298.04926	0.8
298.12186	5.0
299.12448	0.5
309.11447	2.4
310.08514	1.6
310.12134	3.1
311.09305	100.0
312.09650	8.3
325.10867	14.3
326.11627	66.5
327.11948	5.9
330.11136	0.6
341.13998	98.5
342.10968	0.4
342.14319	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	341.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98155	2.1
57.03355	4.5
58.00481	3.1
59.01263	95.2
65.36256	2.1
68.90734	2.3
69.28257	25.7
70.98211	2.2
71.01269	100.0
71.04913	2.3
72.99203	5.0
73.02837	2.3
81.03345	3.7
85.02842	12.0
87.00777	2.4
89.02336	95.3
95.01257	4.8
95.04887	2.6
95.17065	2.2
97.02848	8.3
97.06478	12.2
98.20564	5.2
101.02344	38.8
109.06511	32.3
110.03663	4.4
113.02351	27.9
119.03413	32.3
121.06522	2.8
125.09641	4.9
131.03447	5.1
135.08080	4.9
136.05266	2.5
142.02635	5.6
143.03424	7.5
146.92297	2.1
161.04503	9.7
161.09579	3.4
163.11234	17.2
165.90121	2.3
171.10201	9.8
179.05591	35.4
181.12280	8.3
193.12230	2.6
199.09746	7.6
203.01079	2.2
207.10240	39.3
211.13524	3.2
225.11328	12.5
225.14987	2.4
261.74030	2.6
272.39575	2.6
273.63458	2.2
281.12442	4.0
314.91690	2.2
325.78986	2.8
341.10956	51.2
341.19672	2.4
341.23343	30.5
341.27008	4.1
342.11230	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59398	1.5
56.33206	1.8
57.03330	5.0
58.00467	2.7
58.98187	1.4
59.01257	23.2
69.03345	2.4
70.97335	2.8
71.01266	12.2
72.02033	2.3
73.02830	12.0
80.02547	1.9
81.03353	2.9
83.04900	3.7
84.02058	4.5
85.02837	6.8
89.02337	8.2
95.04919	35.0
97.02802	1.6
97.06480	7.0
99.00739	3.8
99.08051	5.2
100.01576	10.8
101.02341	4.4
107.04904	6.2
109.06497	4.8
111.08069	5.4
113.02332	4.6
113.05962	6.8
113.09622	16.7
115.07574	10.9
115.08288	2.4
119.03377	3.5
121.02845	3.4
121.06429	1.8
123.08025	3.4
125.05943	3.8
125.09618	4.3
127.07581	27.7
127.11213	1.9
129.22792	1.6
139.07579	15.5
141.09146	8.8
143.06995	2.3
149.09630	3.0
151.07591	5.0
151.11224	18.0
153.12857	2.3
155.10626	3.5
163.11230	5.9
167.10695	3.9
169.08632	28.9
169.12267	7.4
171.10211	100.0
172.10606	4.7
179.05539	4.5
181.12302	3.5
185.11806	12.1
189.09206	2.3
195.10130	2.4
197.11850	3.4
199.13307	6.5
201.11281	3.9
207.10223	17.5
209.11818	8.1
213.11342	9.7
215.12810	5.5
221.11887	8.2
225.11305	21.9
227.12897	27.9
227.15092	2.7
261.18512	1.7
279.19678	13.7
287.16449	1.9
297.20721	3.0
305.17645	12.2
323.18646	5.9
338.40030	1.5
341.11035	4.1
341.19699	4.0
341.23355	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03119	1.7
57.03336	3.6
58.00469	3.0
59.01259	32.1
59.23581	1.7
63.39624	1.7
69.03341	2.9
69.45186	15.6
69.45618	2.6
71.01264	21.3
71.04922	1.6
72.02027	3.0
73.02820	8.7
82.61348	1.7
83.04913	2.7
84.02067	2.9
85.02839	10.1
89.02329	12.5
95.04922	32.8
96.05235	2.8
97.02846	2.2
97.06480	5.2
98.81022	1.6
99.00787	1.9
99.08047	4.4
100.01548	7.5
101.02322	7.0
106.04176	1.8
107.04916	4.9
109.06496	5.5
111.08054	3.7
113.02338	4.1
113.05973	5.6
113.09626	14.6
115.07558	13.5
119.03391	6.9
123.08090	3.2
125.05988	5.1
125.09615	4.9
127.07563	28.7
127.11189	3.6
129.08943	1.8
135.08049	1.8
139.07565	14.1
139.11235	1.9
141.09137	7.6
149.09624	5.0
151.07570	7.5
151.11180	16.8
153.12856	2.9
155.10663	4.9
157.12364	1.8
163.11174	8.8
165.09065	1.9
167.10686	7.7
169.08643	28.5
169.12280	5.5
171.10210	100.0
172.10585	3.9
174.35762	1.7
179.05548	6.9
181.12242	2.5
185.11815	22.8
189.09225	2.0
195.10246	4.2
197.11806	6.1
199.13350	7.4
201.11331	3.8
206.05858	1.7
207.10246	17.2
209.10117	1.6
209.11766	10.0
213.11288	24.2
215.12881	6.4
221.11765	8.5
225.11284	21.5
227.12857	26.5
261.18665	3.2
279.19693	14.8
287.16608	2.0
297.20761	2.9
305.17667	11.3
311.18631	2.1
323.18576	6.8
341.10867	10.6
341.14490	2.8
341.19638	6.1
341.23337	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	341.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18478	0.4
59.01263	0.6
61.43064	0.4
69.03336	1.4
71.01223	0.5
71.56684	0.7
82.55652	0.4
83.04901	1.0
84.02058	8.9
95.04925	0.8
97.02839	2.7
97.06482	7.0
99.04398	1.6
119.08588	1.1
125.09630	1.3
127.11270	0.7
135.08080	1.3
137.09624	1.0
151.11160	0.6
157.12057	0.5
165.12700	0.6
171.10220	24.6
172.10526	0.8
175.11368	0.8
183.13814	0.7
193.12299	10.8
194.12689	0.6
211.13330	2.6
221.11897	0.5
225.12782	0.8
225.14957	12.7
226.15295	0.6
243.16080	4.5
253.14471	1.4
291.19672	1.6
304.66858	0.5
323.22379	0.6
341.23373	100.0
342.23712	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	341.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
61.01359	0.5
63.17091	0.5
69.03327	1.9
69.74720	2.7
69.75134	1.1
77.06348	0.4
83.04907	1.3
84.02062	5.8
95.04912	0.6
97.02839	2.8
97.06477	7.8
98.20491	0.9
99.04396	1.1
106.44682	0.5
119.08598	0.7
125.09651	1.1
127.11171	0.8
137.09596	0.8
153.09070	0.6
165.12801	0.6
169.42574	0.6
171.10220	17.5
172.10553	0.8
175.11232	0.7
183.13905	0.6
193.12312	9.0
211.13362	2.8
221.11795	0.8
225.14960	13.7
226.15320	1.0
243.15988	4.9
253.14545	1.3
291.19760	1.5
341.23364	100.0
342.23672	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	341.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88754	0.4
59.01257	1.6
68.27742	0.5
69.03345	2.0
70.68170	1.5
74.55822	0.4
83.04948	1.2
84.02042	1.6
86.06350	0.6
88.07929	0.5
95.04922	0.6
97.02851	0.5
97.06492	11.3
98.06751	0.4
99.04401	0.6
121.10154	0.5
125.09666	1.2
127.11227	0.5
137.09637	1.1
149.13220	0.6
151.11287	0.7
165.12755	1.2
171.10251	7.4
175.11288	0.8
177.12750	0.6
185.11795	1.2
193.12321	16.5
211.13387	4.0
220.32114	0.5
221.11845	1.0
225.14958	21.7
226.15323	1.4
243.16063	9.9
244.16319	0.7
253.14627	0.8
265.33865	0.5
291.19656	0.7
305.21317	0.6
341.23386	100.0
342.19983	0.9
342.23776	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	343.1042
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01263	12.7
71.01262	0.4
71.26467	0.5
75.00767	1.0
75.96242	0.2
78.71138	0.2
78.98504	0.2
81.03365	0.6
83.01302	0.3
88.83266	0.2
89.02336	0.2
93.03382	0.4
93.06987	0.3
95.04922	1.1
107.04933	0.4
108.02050	0.3
109.02869	5.9
109.06504	4.0
119.04939	4.0
121.02876	6.3
122.03648	1.0
123.00778	0.2
123.04469	1.0
125.02393	0.6
131.05446	0.2
133.02895	0.6
134.03650	0.2
135.02927	0.8
135.04451	5.4
135.77742	0.3
136.04826	0.4
137.02382	0.6
137.06015	29.5
138.06366	1.3
149.02362	0.6
153.01883	0.5
153.60750	0.2
163.04021	0.3
165.03998	1.0
166.02667	1.3
177.01863	0.4
179.03502	0.3
181.05026	100.0
182.05370	5.1
195.02916	0.4
197.04575	0.4
225.03926	0.4
233.08882	0.3
241.07089	0.2
343.10385	15.5
344.11163	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42663	0.3
51.53389	0.3
55.19549	0.3
59.01262	100.0
60.01602	0.9
71.01269	3.8
72.99187	0.5
75.00793	0.4
77.29589	0.3
78.98498	0.4
85.02869	1.0
87.00781	0.6
89.02340	5.0
95.01312	0.4
98.20582	0.6
101.02335	1.9
110.34946	0.3
113.02341	1.6
119.03410	1.9
119.04914	0.4
120.99544	1.6
121.02875	0.6
133.10086	0.3
135.02943	0.7
135.04453	0.5
143.03464	0.5
161.04572	0.4
167.08990	1.0
179.05632	0.9
181.01700	0.6
211.07993	0.8
224.24878	0.4
224.51752	0.3
229.63385	0.5
231.24124	0.4
255.06934	0.5
271.50186	0.3
304.33484	0.4
343.08542	0.9
344.15314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42663	0.3
51.53389	0.3
55.19549	0.3
59.01262	100.0
60.01602	0.9
71.01269	3.8
72.99187	0.5
75.00793	0.4
77.29589	0.3
78.98498	0.4
85.02869	1.0
87.00781	0.6
89.02340	5.0
95.01312	0.4
98.20582	0.6
101.02335	1.9
110.34946	0.3
113.02341	1.6
119.03410	1.9
119.04914	0.4
120.99544	1.6
121.02875	0.6
133.10086	0.3
135.02943	0.7
135.04453	0.5
143.03464	0.5
161.04572	0.4
167.08990	1.0
179.05632	0.9
181.01700	0.6
211.07993	0.8
224.24878	0.4
224.51752	0.3
229.63385	0.5
231.24124	0.4
255.06934	0.5
271.50186	0.3
304.33484	0.4
343.08542	0.9
344.15314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	54.9
59.46729	6.5
69.73872	13.8
69.74304	34.9
71.01279	10.6
86.34018	6.5
89.02317	12.2
101.02342	8.7
121.02837	6.9
130.23264	7.5
145.62933	6.4
154.52075	7.5
164.90715	8.0
209.11661	9.0
215.12770	9.5
223.50847	6.5
245.19109	7.6
255.23315	6.8
289.18213	32.8
307.19211	100.0
313.00284	9.1
343.24911	10.0
344.15167	11.0
361.34662	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61533	2.9
59.01247	8.0
67.34756	2.9
71.55889	5.1
71.56247	3.3
72.42426	3.4
76.85432	3.3
90.27769	3.3
96.97542	3.0
115.07558	3.4
123.04452	4.1
125.09648	5.1
137.09650	5.5
163.11243	6.1
185.11804	10.3
191.14343	10.8
207.10201	5.8
245.19128	19.8
289.18155	100.0
290.18497	12.0
307.19220	77.9
308.19458	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	343.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	100.0
61.98719	22.6
64.07748	14.4
64.49551	14.6
68.73085	16.3
68.76908	13.8
69.41364	17.4
70.95189	42.4
70.95548	16.6
71.01254	28.1
80.74590	15.9
89.02380	15.3
113.70941	15.2
121.02856	22.0
152.57593	16.9
178.74658	16.3
209.11763	18.2
307.19418	22.4
343.14999	18.6
343.24728	25.3
344.15060	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	343.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
58.19708	0.4
59.01263	2.2
61.98707	1.3
66.24857	0.4
69.03336	1.4
69.38361	3.8
71.01273	1.0
71.04909	1.7
73.02819	0.6
79.89883	0.4
80.02531	0.5
81.03331	0.7
83.04905	1.9
84.02051	2.5
85.02827	1.9
85.06466	0.9
87.04407	1.5
95.04923	4.8
96.59792	0.4
97.02866	0.4
97.06490	1.5
98.20612	0.8
99.04419	0.6
109.02791	0.4
109.06486	0.7
113.06005	2.0
121.02887	0.6
123.08051	0.8
125.09635	1.3
127.07560	0.4
127.11191	2.5
135.02960	0.6
135.08052	1.0
145.53085	0.4
153.09125	0.9
163.11255	0.7
165.12737	0.4
167.14352	1.2
171.10226	10.1
172.10483	0.5
177.12695	0.5
181.12338	0.5
183.13885	2.3
185.11743	1.2
188.12157	0.4
193.12314	0.9
195.13895	0.7
197.11893	0.5
209.11829	6.2
211.13385	16.3
212.13734	1.3
217.71251	0.5
219.13963	0.5
221.11845	1.4
223.13441	0.9
227.12770	0.5
229.14450	18.5
230.14767	1.2
235.13335	0.7
237.14996	7.0
238.15170	0.6
239.12856	1.1
240.49864	0.4
249.15024	2.0
255.16101	0.8
267.16071	0.7
289.18167	1.8
307.19272	0.9
315.04993	0.5
325.20285	4.1
326.20889	0.6
343.21313	100.0
344.10052	0.6
344.21658	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	343.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46852	0.8
59.01270	7.1
68.59796	0.8
69.03350	0.9
69.25104	8.2
71.01270	1.4
71.04887	1.8
80.02556	3.7
81.03349	3.4
83.04462	1.1
83.04919	10.8
84.02059	3.2
87.04456	0.7
89.02354	1.0
95.04939	1.7
97.06480	0.8
99.48573	0.8
101.02338	0.8
117.02453	0.7
121.02884	1.5
121.12156	0.7
125.09658	1.4
127.07584	1.4
135.08087	1.6
162.30107	0.8
163.11247	8.7
165.12758	5.7
171.10222	3.3
181.12292	1.3
185.11775	2.9
191.10735	2.5
197.11861	2.1
209.11821	100.0
210.12163	6.2
211.13379	2.9
229.14555	1.9
265.17645	0.8
281.00809	0.8
289.18176	1.0
307.19092	1.5
312.99927	0.9
325.14383	1.1
343.15717	3.8
343.21313	13.0
343.25058	0.9
344.15347	1.2
344.21579	1.0
359.03564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2131
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01755	0.7
57.03345	3.2
59.01248	2.5
60.49865	0.5
61.98723	0.7
69.03352	1.1
71.01265	1.2
71.04899	2.3
71.56490	1.1
75.26823	0.6
81.03373	0.6
83.04908	2.7
84.02061	2.0
85.02847	3.1
85.06475	1.5
87.04401	2.9
95.04904	3.8
96.95906	0.5
97.02883	0.8
97.06489	1.7
106.04150	1.0
109.06486	1.2
111.04410	0.9
111.08076	0.6
113.05997	0.8
123.08055	1.2
125.09612	1.6
127.11246	1.5
135.04440	0.6
135.08078	1.0
137.31975	0.7
153.09135	1.3
163.11284	0.9
167.10757	0.6
167.14429	0.8
171.10216	14.9
174.03154	1.7
175.43158	0.6
177.12808	0.6
181.12344	0.9
183.13921	3.0
185.11827	1.2
193.12254	1.0
197.11716	0.7
197.66231	0.6
199.13313	0.6
209.11824	4.6
211.13377	14.5
212.13774	1.3
227.12854	0.6
227.57814	0.6
229.14442	15.3
230.14755	1.0
237.14944	9.3
238.15334	1.1
239.12865	0.9
249.14949	2.3
255.16060	0.6
267.15726	0.7
289.18100	2.6
307.19308	1.3
325.14438	1.0
325.20248	7.3
343.21298	100.0
344.10217	0.7
344.15274	1.1
344.21655	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.9
67.86655	0.4
69.71306	1.2
69.71738	1.8
77.65901	0.4
79.13615	0.4
81.74190	0.4
82.11858	0.4
86.58649	0.4
97.06510	0.5
99.08056	0.8
104.43997	0.5
113.09583	0.4
121.10146	10.2
125.09647	1.3
127.11204	2.0
132.00839	0.4
135.08130	0.6
137.09666	1.8
139.11240	1.2
146.29591	0.4
153.09196	0.6
165.09175	0.8
171.10225	60.4
172.10570	3.2
211.13359	0.7
293.21323	1.1
305.17355	0.4
343.24933	100.0
344.25259	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	343.2495
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03327	0.3
59.01253	1.7
69.03336	1.9
71.33747	1.0
77.59229	0.4
79.51193	0.4
83.04916	1.5
84.26807	0.4
97.06466	0.9
99.08053	8.0
100.08366	0.4
121.10123	2.1
123.81816	0.4
125.09628	1.3
127.11235	0.6
137.09615	1.5
139.11206	0.7
148.88022	0.5
149.13257	0.7
151.11227	0.4
165.12802	0.9
171.10204	16.0
172.10466	0.5
175.11200	0.8
183.13741	0.4
193.12314	15.3
194.12695	1.0
197.15454	0.9
206.95573	0.5
211.13422	3.8
225.14948	20.0
226.15286	1.6
243.16037	6.5
293.21310	1.5
311.22357	1.3
320.37195	0.4
325.23914	1.5
343.24936	100.0
344.25253	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2497
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.35790	0.3
59.01257	1.7
60.28238	0.3
68.99706	0.5
69.03334	1.5
71.04893	0.6
71.29131	0.8
81.03369	0.4
83.04916	1.6
95.04915	0.4
97.06478	0.9
99.07455	0.7
99.08054	7.4
109.06499	1.4
111.04388	0.9
111.30624	0.3
117.79366	0.3
121.10140	1.9
125.09654	1.4
127.07551	0.4
127.11214	0.5
128.57907	0.4
137.09627	1.7
138.77800	0.3
139.11194	0.6
144.01973	0.4
145.06500	0.6
149.13293	0.6
151.11102	0.5
153.09190	0.4
161.38356	0.3
163.11282	0.4
165.12828	0.9
169.06139	0.3
171.10225	11.9
172.10535	0.7
175.11234	0.7
192.81992	0.3
193.12309	14.8
194.12650	1.1
195.13829	0.4
197.15479	0.4
211.13368	2.9
225.14958	18.8
226.15289	1.4
243.13774	0.6
243.16081	6.5
245.19095	0.4
276.69336	0.4
287.16458	0.4
289.18161	23.1
290.18521	2.1
293.21234	2.0
294.21484	0.4
307.19229	3.0
308.19629	0.4
311.22382	0.8
325.24072	0.6
343.24951	100.0
344.25296	10.3
352.53442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.7
65.99723	8.4
71.01247	6.6
72.99192	4.9
74.82050	4.1
83.01277	7.0
85.02853	5.1
99.00774	9.4
108.02052	6.0
109.02843	25.1
111.00784	15.9
120.99553	9.5
121.02843	12.5
122.03630	9.2
123.00742	7.5
123.04510	7.9
125.02357	39.1
133.02820	4.7
135.04424	8.9
136.05206	7.1
137.02383	57.8
137.05513	6.1
138.03008	6.5
139.00273	17.3
139.03946	9.4
141.01823	9.8
147.04431	4.3
148.03973	11.2
149.02386	22.2
151.00249	6.1
151.03903	13.7
153.01872	23.1
159.04466	9.3
160.04004	4.3
161.02359	17.4
162.01834	5.6
162.05472	4.4
163.00249	4.2
163.03914	11.3
164.01083	6.3
164.03447	10.5
165.01808	12.7
165.09264	4.9
166.02670	7.8
167.03430	15.3
168.00613	4.0
172.04022	9.4
173.02211	5.0
174.03217	5.6
175.03961	6.4
176.03455	17.4
177.01894	14.1
178.01344	4.9
178.05061	5.0
179.03413	19.3
180.04179	8.7
181.01396	11.8
181.04689	11.7
181.08646	47.8
182.09024	79.6
183.02965	9.7
188.03477	9.7
189.05489	6.7
190.04849	6.0
191.03358	7.1
195.02893	11.2
200.03467	7.6
203.03416	4.7
204.02899	4.5
206.04556	10.8
213.05624	5.4
215.03448	4.0
231.06540	8.7
255.06570	4.8
273.07712	5.6
274.79871	4.3
286.04929	6.2
289.07236	7.3
295.15009	3.8
299.05643	5.2
304.05789	14.2
317.06680	9.2
326.06699	25.2
327.07172	5.3
344.07635	100.0
344.10828	10.6
344.14786	12.7
345.08078	9.3
362.17502	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	345.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30191	0.2
53.41293	0.2
57.03327	0.3
59.01256	1.0
61.32402	0.2
66.99640	0.3
69.69119	0.2
71.01268	0.9
71.55987	0.5
75.76626	0.2
79.95621	6.8
80.96429	0.5
83.01260	0.3
87.00759	0.3
89.03973	0.2
93.03374	0.3
96.95918	0.6
101.02324	0.5
101.05975	0.3
107.04948	0.7
113.02347	0.4
119.04944	100.0
120.05281	4.3
131.94150	0.3
134.03693	0.3
135.04449	12.8
136.04788	0.6
144.04601	0.3
145.05252	0.4
146.06038	0.3
160.04031	2.1
161.04710	1.3
163.03964	7.6
164.04242	0.3
176.03510	0.5
177.04236	0.5
183.13890	0.8
187.03972	0.8
189.04268	2.6
193.03734	0.7
199.00684	39.5
200.00993	1.5
215.00186	20.7
216.00543	1.0
221.03293	0.8
221.07025	1.0
239.14319	0.3
242.99718	3.8
245.72133	0.3
269.13025	1.1
283.13464	0.9
301.14709	0.4
313.11896	1.8
327.15894	0.6
345.06564	33.5
345.14618	3.7
345.22525	0.8
346.06848	2.8
346.14471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1562
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01761	1.5
57.03336	0.9
58.00477	2.3
59.01263	51.8
60.01591	0.7
70.48894	1.4
71.01267	33.2
71.58898	0.4
72.01613	0.6
72.99195	4.7
73.02838	2.3
75.00761	1.0
78.57623	0.6
78.82762	0.4
78.86511	0.4
78.88245	0.4
83.01275	2.7
85.02843	7.4
87.00765	1.6
89.02335	28.0
90.02674	0.5
95.01280	2.8
96.72742	0.5
96.95878	1.0
99.00771	1.1
101.02341	21.0
109.02888	0.6
113.02351	11.2
119.03418	10.8
121.10162	1.9
124.02850	0.4
125.43792	0.5
131.03511	0.5
132.04491	1.7
133.05226	0.8
135.02841	1.0
135.04478	0.6
135.98277	1.0
136.99097	1.0
143.03432	1.0
144.45325	0.4
149.04512	0.9
165.04208	0.5
165.09161	10.4
166.09521	0.7
174.63202	0.4
179.05591	0.8
183.10223	2.0
209.08099	0.5
212.04733	0.5
225.41849	0.6
244.31435	0.5
257.12976	0.6
296.10468	0.5
300.10181	1.1
311.09250	0.6
312.10150	1.4
315.12418	1.9
327.12457	2.6
328.12717	0.5
345.15616	100.0
346.16013	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	345.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03334	0.6
58.00473	2.0
59.01263	42.7
60.01604	0.7
71.01269	27.3
72.01597	0.4
72.99202	2.6
72.99545	0.4
73.02827	2.0
74.41488	0.5
83.01286	2.1
85.02845	6.7
87.00790	0.6
89.02338	22.7
92.27971	0.5
95.01273	2.5
96.95914	0.8
98.77496	0.5
99.00790	1.2
101.02346	17.8
109.02941	0.6
113.02360	9.0
119.03429	10.0
120.03773	0.6
121.10177	1.7
131.03482	0.9
134.38431	0.5
135.02921	0.7
143.03427	0.5
161.04472	0.7
165.09154	9.0
166.09508	0.6
179.05643	1.0
183.10258	1.5
229.25887	0.7
239.43297	0.5
300.09924	0.6
312.10187	0.9
315.12344	0.9
327.12326	2.0
345.15610	100.0
346.15927	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	345.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.0
57.03317	1.9
58.00467	3.7
59.01263	67.2
69.37146	6.7
69.56436	0.9
71.01270	38.8
72.99186	5.9
73.02838	3.0
83.01263	4.5
85.02845	9.9
87.00749	2.0
89.01773	1.6
89.02331	32.6
95.01297	4.1
96.95901	0.8
99.00817	1.7
99.83663	1.0
101.02345	30.9
101.35944	0.8
102.02654	0.9
113.02357	15.1
119.03415	15.1
121.10139	12.8
122.10493	0.8
131.03429	1.3
135.02966	2.4
143.03467	1.2
161.04509	1.3
165.09132	6.0
179.05719	1.3
183.10182	1.5
232.75282	0.8
345.15585	100.0
346.15958	9.9
367.89102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14368	0.6
59.01262	100.0
60.01590	1.2
61.98724	0.7
71.47980	0.5
71.56091	0.9
80.65392	0.5
134.03711	0.7
152.99495	0.5
187.04092	0.6
197.11790	0.6
211.13368	9.4
259.79877	0.5
269.42490	0.6
285.17279	0.9
299.16608	0.7
327.16049	1.0
345.17154	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	346.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70041	1.8
56.84368	2.0
59.01267	9.5
59.35830	1.6
70.32508	6.6
71.01267	7.1
73.04399	1.7
86.16346	1.9
95.04923	3.4
104.40652	1.7
112.03957	34.0
113.02402	1.6
124.03951	10.5
126.05503	5.6
140.07132	3.3
145.89638	1.9
154.05037	7.2
161.07036	1.7
166.05040	100.0
167.05396	3.1
182.08177	28.1
184.06140	10.3
226.07224	9.3
269.55606	1.8
324.16763	2.1
346.11545	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	347.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73530	1.3
54.85992	1.2
57.50302	1.1
67.01787	2.1
69.03335	36.6
69.60508	10.4
71.01250	1.6
85.52509	1.3
97.02840	6.7
97.11121	1.2
107.04990	1.6
109.02850	15.2
121.02811	1.4
123.00759	2.0
124.01557	3.0
128.99982	1.2
133.02866	13.1
134.03662	22.2
135.04446	100.0
136.04764	3.0
137.02351	5.2
139.00252	4.0
139.03912	2.4
141.01854	2.0
146.03667	2.0
147.04375	1.8
159.04390	1.5
161.02382	34.8
172.05247	2.2
178.02574	8.6
179.03458	49.9
180.03749	1.7
185.00848	2.5
185.06024	3.7
187.07556	2.6
195.04468	1.5
213.05597	2.3
215.07114	31.9
241.05133	2.9
259.06146	21.2
260.06464	1.3
303.05017	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.9
64.61493	0.5
69.03349	3.8
71.01264	1.5
71.58343	0.9
85.02839	1.3
93.03350	0.7
96.95914	3.3
97.02837	1.1
101.02342	0.7
106.04115	0.7
109.02861	1.7
111.00758	1.1
121.02856	1.4
133.02885	3.6
134.03658	66.2
135.04475	11.7
137.01392	1.0
137.02374	11.5
137.23045	0.6
139.03911	3.7
149.02405	1.0
149.06018	19.3
150.03185	1.4
152.98587	1.3
161.02362	3.0
178.02664	40.5
179.03369	5.7
193.05025	100.0
194.05318	5.7
215.07053	3.1
219.31915	0.6
259.06186	2.3
263.21167	0.6
347.04453	17.9
347.11407	1.1
348.04526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.4
61.15041	0.5
69.03331	2.3
70.87926	1.7
71.01252	0.9
72.99187	2.5
75.00765	0.6
77.44920	0.5
77.48358	0.5
77.52381	0.5
77.92989	0.5
80.21893	0.6
89.02330	1.0
93.03354	0.9
96.95921	2.6
99.00784	0.5
101.02352	0.8
109.02847	1.6
111.00803	0.7
113.02308	0.6
121.02856	1.8
124.01626	0.7
133.02875	2.5
134.03667	44.5
135.02927	2.5
135.04514	3.7
137.02374	12.5
139.03932	3.4
149.02364	1.4
149.04857	1.0
149.06021	16.0
150.03116	1.1
152.98566	0.7
161.02351	1.7
167.03497	1.1
178.02670	37.7
179.03333	3.5
189.04179	0.5
193.05032	100.0
194.05394	5.1
215.07172	1.7
259.06180	0.7
311.08353	0.6
347.04480	11.9
347.13040	0.9
347.17191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	14.8
66.43911	1.7
69.03347	9.4
69.49032	3.9
69.49432	13.8
71.01257	8.8
72.99197	67.6
73.02845	2.6
75.00764	23.4
83.04895	2.1
85.02850	1.8
87.00779	2.6
89.02334	7.3
93.03367	11.5
95.01289	4.6
95.04892	4.1
96.95905	3.0
97.02845	3.2
101.02346	3.6
109.02847	8.7
111.04411	2.6
113.02368	3.5
116.06523	1.7
117.01885	3.6
117.77832	1.7
119.03439	3.0
121.02874	19.2
122.03648	2.5
123.00770	5.3
123.04448	9.8
124.01553	10.3
124.51981	1.9
125.02378	2.6
133.02849	10.6
134.03664	49.3
135.02927	61.8
135.04456	14.4
136.01584	3.1
137.02373	67.3
138.02809	2.6
139.03926	17.9
149.02386	20.9
149.06013	15.6
150.03160	2.1
161.02362	7.7
165.01878	2.6
167.03471	18.5
178.02676	36.8
179.03442	9.8
191.01944	3.8
193.01373	5.8
193.05042	100.0
194.05382	6.7
195.02953	8.6
211.02501	4.4
214.13644	1.8
215.06958	2.2
219.42651	1.7
229.03658	2.2
233.72328	1.8
259.06006	3.1
260.06451	1.9
314.20166	2.0
347.04135	9.4
347.17090	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	347.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
58.99477	0.6
59.01255	2.5
59.60622	0.3
71.01285	0.4
71.58310	0.8
72.00390	0.4
73.02797	0.4
73.98193	2.8
74.99005	0.4
75.00763	0.4
76.07871	0.4
85.02869	0.7
87.00763	6.8
87.02633	1.0
89.02338	0.5
96.95905	1.3
103.02127	1.6
105.03696	1.6
111.08073	2.2
119.04891	0.7
120.99555	3.5
125.05990	0.6
135.04411	0.6
139.07587	7.2
141.09134	5.5
153.09076	1.0
155.10707	4.3
169.06895	0.5
169.39119	0.4
173.06015	1.9
185.69771	0.4
186.07213	0.5
189.05412	0.4
189.12675	0.5
193.12361	0.5
197.10016	1.5
205.10493	0.7
211.13318	0.8
213.14891	0.5
215.11070	0.9
241.12686	4.3
259.13766	42.1
260.14178	2.4
301.14587	0.6
311.12997	0.4
347.15359	100.0
348.15671	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	347.1717
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.36180	0.5
55.01758	1.0
57.03311	0.8
58.00467	2.0
59.01261	44.1
71.01266	25.6
72.99199	2.9
73.02793	0.6
74.22620	0.5
83.01273	1.7
83.75973	0.5
85.02842	4.8
85.35541	0.6
87.00759	1.0
89.02331	20.8
95.01283	2.0
96.95980	0.8
101.02343	15.9
113.02343	8.1
119.03419	8.9
129.91786	0.5
143.03436	1.1
167.10722	13.6
179.05467	0.6
180.80713	0.5
185.11836	3.7
187.74413	0.6
263.11707	0.6
267.45349	0.5
346.25143	0.5
347.17160	100.0
348.17444	8.6
352.54886	0.5
354.04926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03330	0.6
58.00477	1.4
59.01264	36.8
60.01601	0.3
61.41103	0.2
71.01267	23.7
71.57681	0.6
72.99197	3.5
73.02840	1.0
82.47113	0.3
83.01274	1.5
85.02837	5.3
85.61095	0.3
86.95137	0.3
87.00776	0.7
89.02333	19.2
90.02682	0.4
95.01280	2.1
99.00784	0.5
101.02341	16.1
102.02706	0.4
105.01827	0.6
113.02350	7.9
119.03415	9.3
119.04765	0.4
120.99534	0.5
131.03394	0.6
135.04462	0.5
135.98274	1.0
139.11206	1.6
143.03404	0.6
149.04518	0.4
161.00919	0.6
161.04543	0.5
167.10735	3.8
179.03539	0.4
179.05548	0.5
185.11807	6.9
198.12920	0.3
232.13216	0.3
242.11839	0.8
267.11487	0.5
317.10147	0.4
347.17157	100.0
348.17499	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	347.1719
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
50.84761	1.0
53.51495	0.9
54.54343	0.9
55.01774	1.2
56.91248	1.0
57.03332	1.5
58.00155	1.0
58.00467	4.7
59.01263	100.0
59.99236	1.1
60.01599	1.7
60.02160	1.1
62.89528	1.1
69.03358	1.7
71.01272	62.6
71.57265	2.0
71.68034	1.0
72.99216	6.7
73.02839	2.3
79.02140	1.1
83.01268	3.6
85.02842	12.9
87.00768	3.1
89.02341	58.3
95.01288	4.6
99.00770	1.4
101.02344	45.6
113.02353	22.6
119.03418	31.3
131.03406	2.3
135.04459	1.8
137.75259	1.0
143.03438	3.8
149.04500	2.1
149.06042	2.4
161.04498	3.6
165.83441	1.2
167.07031	1.4
167.09311	2.5
167.10730	45.6
168.11026	2.8
179.05577	4.1
185.11807	2.7
194.97720	1.2
347.17163	89.7
348.17624	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	347.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.9
57.03323	1.5
58.00480	4.0
59.01262	100.0
60.01597	0.9
71.01266	74.7
71.05452	1.7
71.05766	0.9
72.01587	1.5
72.99195	5.8
73.02825	2.4
75.00749	1.1
82.50605	0.8
83.01293	2.7
84.02085	0.9
85.02834	12.7
87.00774	4.7
89.02333	85.6
90.02659	1.3
95.01275	4.8
96.95895	1.5
101.02345	42.1
113.02357	27.8
113.03152	0.8
119.03413	38.2
125.02369	0.9
131.03439	4.1
134.03648	0.7
135.02878	1.1
135.04480	1.3
143.03416	6.5
149.04500	2.9
161.02419	0.9
161.04494	6.0
167.10719	15.4
173.60597	0.8
179.05559	9.0
188.14569	0.7
218.49113	1.0
347.17224	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	347.172
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.47492	1.7
58.00464	3.3
59.01264	100.0
71.01270	73.9
71.14446	2.9
72.99189	6.8
83.01256	2.9
85.02842	14.0
87.00792	3.2
89.02338	76.1
95.01264	4.7
96.95935	2.4
101.02354	40.6
109.02863	1.8
113.02351	31.0
119.03413	30.0
125.02365	2.3
135.02901	2.3
135.04431	5.6
137.36862	2.0
143.03430	4.5
149.05870	1.9
154.88698	2.0
157.73944	2.0
161.04526	4.4
167.10727	17.7
179.03448	1.8
179.05623	8.5
211.91919	1.7
347.17130	16.3
347.24158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79514	1.1
55.01749	1.1
57.03337	1.6
58.00471	4.8
59.01261	100.0
60.01606	1.6
64.09383	1.0
68.66386	0.8
69.03339	1.0
71.01266	58.0
72.99193	8.0
73.02827	1.9
79.63472	0.9
83.01291	4.1
85.02836	10.9
87.00768	2.9
89.02332	59.8
91.18375	1.0
95.01276	4.4
96.95952	1.3
98.19756	1.7
99.00781	1.6
101.02344	42.7
113.02350	22.5
115.03874	0.9
119.03404	31.7
121.85911	0.9
131.03400	1.9
143.03423	3.6
149.04477	1.4
149.06009	2.4
161.04463	3.8
167.07126	1.4
167.10721	45.4
168.10982	1.5
179.05519	5.5
185.11829	2.7
222.09319	0.9
229.64192	1.1
230.01396	0.9
241.09122	0.9
347.17172	86.2
348.17596	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	347.2233
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
50.57169	0.3
54.91856	0.2
56.12020	0.3
57.03337	1.6
59.01269	2.2
71.01257	0.5
71.04924	0.4
71.58132	0.6
81.03346	1.5
83.04913	3.9
84.16358	0.3
85.02844	1.8
95.04930	0.9
99.04409	0.4
101.05972	0.5
108.02084	1.3
109.02859	1.1
111.04437	4.3
113.05971	0.6
121.02862	0.7
122.03703	0.3
123.04446	3.2
125.02379	0.4
125.09583	0.4
127.03931	4.5
127.62585	0.2
135.08136	0.3
139.03972	0.5
140.04733	1.1
145.04997	0.4
167.62418	0.3
172.03725	11.9
188.08418	0.3
189.16449	4.1
193.16003	0.7
198.93616	0.3
207.17465	1.0
217.15958	3.6
219.17525	0.8
267.88889	0.3
271.17075	0.7
311.22583	2.0
347.22333	100.0
348.22690	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1704
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01263	18.1
95.04912	7.0
96.95885	3.0
118.38534	1.9
195.13843	6.3
204.45204	1.9
205.23972	2.1
223.05344	1.8
223.13396	2.9
278.11377	8.2
293.21286	34.4
294.21539	3.6
314.07715	2.2
351.17126	100.0
352.17432	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	352.068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49557	0.2
57.03337	0.6
59.01264	1.2
61.98715	100.0
68.99689	0.3
69.88285	1.6
71.01269	0.3
72.99206	0.4
73.02819	0.4
83.01285	0.3
85.02840	1.8
92.82514	0.3
93.03347	0.4
99.00771	0.5
109.02888	0.7
111.00803	0.7
113.02350	0.5
117.01848	1.2
117.05455	0.7
119.04942	14.2
121.62157	0.3
123.04465	0.6
125.02374	1.1
127.00272	0.5
129.01872	1.2
133.02890	0.4
135.04440	1.9
137.02400	0.4
139.00273	0.7
141.01849	0.5
145.02863	0.4
147.02936	0.7
149.04565	0.6
149.05946	0.6
153.01895	0.6
154.99760	0.4
161.02417	1.0
161.04747	0.2
161.06049	0.4
163.03957	17.8
165.01906	0.4
167.03430	0.3
169.01381	0.4
173.00885	0.8
177.01880	0.5
179.03491	0.7
189.04024	1.8
197.00937	0.4
207.05090	0.8
220.06129	0.4
235.06184	0.5
237.77985	0.3
321.88779	0.3
328.51581	0.3
353.08844	0.8
367.08777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.7
59.01261	33.0
70.53625	8.7
70.84179	2.7
71.01260	37.5
72.99193	11.5
73.02835	13.0
74.24295	3.1
74.99265	4.3
75.00789	6.2
81.03332	4.1
83.01279	9.0
85.02837	100.0
86.03137	3.0
87.00757	16.3
89.02325	14.2
92.95873	8.8
93.03362	16.2
95.01241	3.7
96.95918	5.9
99.00789	12.1
99.04398	5.6
101.02332	14.9
102.98785	4.0
103.00233	3.9
103.03895	5.6
103.91911	9.3
109.02846	8.5
111.00786	9.0
111.04406	10.2
112.98693	6.7
113.02342	10.7
114.03168	3.7
115.00249	3.3
117.01866	3.6
119.03416	4.3
122.89336	8.3
123.04469	3.6
126.98838	4.1
127.03921	4.8
129.01936	7.2
129.03967	11.3
131.03381	3.5
133.02867	10.1
134.03624	10.4
135.04449	76.0
147.02989	17.2
153.00644	2.8
153.01865	19.5
154.99850	3.6
155.02016	3.4
155.03467	3.2
157.86208	4.0
159.85977	6.7
161.02373	19.1
161.04453	4.7
162.83821	4.2
173.00902	6.5
173.03033	5.6
173.04491	26.0
179.03471	60.7
179.05310	4.9
179.05560	4.6
180.99684	3.1
191.01973	49.3
191.05577	99.7
192.05946	4.6
207.05048	4.2
215.04076	5.3
235.91771	3.3
249.06126	3.5
275.43515	3.5
279.90933	8.4
281.90540	4.3
315.07370	4.8
315.88385	3.4
317.07297	68.1
317.88168	5.2
317.93820	3.4
318.07562	9.6
343.99402	3.3
349.34351	3.1
353.05096	44.4
353.09421	18.7
353.14700	7.2
354.05225	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	353.0885
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.94678	0.6
57.03331	1.2
59.01263	1.5
60.38456	0.6
70.72096	0.6
70.72443	1.8
71.01270	1.3
85.02841	17.5
86.41259	0.6
87.00767	1.2
93.03355	3.8
107.04948	1.4
109.02853	1.5
111.04420	1.8
127.03967	2.1
133.02879	1.5
134.03671	6.8
135.04443	59.1
136.04781	2.3
136.51752	0.7
147.02968	1.8
153.05534	1.3
155.03453	1.8
161.02380	6.2
173.04491	3.3
179.03456	57.1
180.03780	2.7
191.01994	9.8
191.05574	100.0
192.05943	3.7
353.08807	23.5
354.08975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
58.00482	1.5
59.01260	13.5
68.99700	0.6
69.47703	2.9
71.01266	4.4
72.99191	1.7
73.02836	1.1
83.01263	2.1
89.02327	5.3
99.00755	1.4
101.99462	0.6
104.03673	0.4
117.01846	100.0
117.05476	2.1
118.02187	1.9
119.04940	38.0
120.05274	1.8
121.02869	0.7
129.09332	0.4
132.05725	1.1
141.01859	0.7
145.02921	3.3
145.06523	0.6
148.64569	0.5
159.02924	1.0
160.05270	1.1
161.06065	0.9
163.03947	31.3
164.04321	1.5
167.17401	0.5
177.05530	0.5
187.03922	0.6
189.04002	4.1
202.06366	1.1
207.05083	59.1
208.05429	2.3
217.08630	1.2
230.02158	0.8
235.06136	4.4
291.08820	3.0
307.07819	0.5
335.07907	0.7
353.08893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0885
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03336	0.7
59.01258	1.8
70.58879	1.1
71.01274	1.0
73.02835	0.3
73.97916	0.3
81.03340	0.5
83.04932	0.6
85.02840	10.9
87.00766	1.5
89.03872	0.3
91.05428	0.5
91.64242	0.3
93.03357	4.7
98.20521	0.4
99.04446	0.3
106.04178	0.4
107.04943	2.0
107.77476	0.4
109.02868	0.4
111.04408	2.4
117.03367	0.6
119.04944	1.0
127.03935	2.3
133.02887	0.9
134.03651	5.8
135.04446	60.7
136.04773	2.9
155.03433	1.6
160.24409	0.3
161.02377	3.8
163.03935	1.1
173.04500	3.1
179.03459	53.4
180.03780	3.3
188.32898	0.3
191.02055	2.7
191.05577	100.0
192.05904	3.9
353.08847	19.7
354.09097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2129
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.10899	0.2
52.47378	0.2
59.01263	0.5
66.59080	0.2
70.33666	0.4
70.34061	0.5
73.63480	0.2
96.95918	0.3
98.20439	0.3
117.89097	0.2
133.95288	0.2
147.08095	0.3
163.11230	88.6
164.11580	5.2
176.74153	0.3
177.09166	68.8
178.09497	4.5
190.09721	0.3
222.08881	0.6
265.57120	0.2
307.10889	0.2
353.21280	100.0
354.21616	14.0
354.26056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.234
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
57.03347	1.2
58.56581	0.6
59.01260	13.6
62.87089	0.6
63.05992	0.8
70.73505	0.6
71.01266	6.3
71.04906	0.9
71.56628	1.1
72.02074	1.1
72.99207	0.7
73.02859	1.2
75.66183	0.6
80.02591	2.1
81.03387	0.7
81.83208	0.6
83.04922	2.7
84.02058	3.6
85.02846	1.9
95.04934	1.0
97.06487	3.2
99.04425	0.9
99.08053	3.3
108.01998	0.8
109.06476	1.0
111.08089	1.0
115.07575	2.3
121.03044	0.6
125.06000	6.0
125.09650	2.5
127.07571	14.7
127.08462	1.0
127.11157	0.7
135.04462	1.3
135.08113	1.0
137.09662	1.2
139.07558	5.1
143.07085	11.0
153.09142	7.7
153.12778	2.0
155.10710	6.3
163.11246	1.8
165.12755	0.9
178.09972	2.9
179.03406	1.0
191.05582	2.4
193.15974	1.1
197.11769	0.7
199.13373	7.1
209.11803	24.8
209.15184	0.9
210.12215	2.0
211.12704	0.7
213.14944	17.2
214.15353	1.2
215.13002	0.7
219.13919	1.7
225.14975	14.5
227.12881	6.2
235.13435	1.9
237.14972	70.1
238.15276	4.7
249.15201	0.7
255.16054	1.4
264.13675	0.9
266.15271	5.5
267.19781	1.2
281.21271	1.4
283.15619	1.3
284.16284	2.1
291.19958	0.6
291.23422	0.9
293.21243	0.8
307.22818	1.5
309.24442	1.6
317.21237	10.8
318.21707	1.3
325.24097	0.9
335.22336	100.0
336.22668	11.8
353.19696	1.9
353.23389	32.8
354.23807	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	355.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98348	0.9
55.01780	0.9
57.03335	12.3
59.01036	0.8
59.01262	9.1
63.29349	0.9
68.99701	1.0
70.00135	4.2
71.01254	7.5
72.99216	1.9
75.00755	3.8
83.01263	2.3
84.02061	2.4
85.02840	100.0
86.03172	3.1
87.00743	0.9
89.02333	2.0
89.90722	0.8
101.02313	1.4
102.34874	0.9
103.00240	1.7
103.45564	0.8
106.24825	0.8
111.00783	3.4
119.04957	4.6
129.01855	7.7
133.01341	1.7
134.03648	3.4
147.02916	12.5
148.03198	1.1
163.03925	3.7
173.00879	2.4
191.01933	31.4
193.01346	1.4
193.05011	4.9
209.03011	58.0
210.03378	2.3
250.79195	0.8
355.06766	1.7
367.44516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43923	0.6
55.01763	2.0
55.39571	0.5
57.03339	12.9
59.01264	7.3
68.99691	1.0
69.64350	2.8
69.64759	1.3
71.01261	5.0
72.99193	2.5
73.02845	0.8
75.00761	1.8
80.32327	0.6
83.01277	2.8
84.02055	3.1
85.02843	100.0
86.03170	2.2
87.00772	0.7
89.02339	1.5
94.27819	0.6
101.02352	0.6
103.00317	1.4
111.00787	3.7
115.00253	0.8
119.04961	4.0
125.77732	0.5
129.01860	6.7
133.01360	2.3
134.03674	1.4
145.02979	0.8
147.02921	7.7
163.02678	0.6
163.03967	2.1
164.20132	0.5
168.03897	0.6
173.00848	1.6
191.01945	24.4
192.02260	1.0
209.03018	33.2
210.03407	1.1
296.00705	0.6
355.06613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.01656	0.5
57.02009	0.5
57.03336	12.5
59.01259	9.2
68.99689	1.1
71.01264	10.5
71.30437	1.1
72.99194	3.0
73.02848	0.9
75.00766	3.2
83.01284	3.1
84.02061	2.0
85.02840	100.0
86.03166	2.8
87.00763	2.0
89.02314	2.9
99.00754	0.7
101.02335	1.1
103.00242	1.6
111.00790	5.8
115.00291	1.8
119.04969	3.2
129.01859	6.3
131.21078	0.5
133.01347	4.9
134.03667	12.4
135.04375	0.5
137.02403	0.5
145.01358	0.5
147.02934	8.7
149.06017	3.6
163.03995	1.9
173.00858	2.3
178.02666	3.0
191.01944	36.7
192.00548	0.6
192.02281	1.0
193.03342	0.9
193.05026	13.7
193.06827	0.9
209.03011	75.0
210.03394	2.6
355.06638	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85416	0.7
52.04820	0.7
55.01762	2.1
57.03334	14.4
59.01263	9.1
68.99697	0.8
69.54205	5.7
71.01277	7.5
72.99191	5.0
73.02831	4.1
75.00760	2.1
76.56819	0.7
83.01279	2.1
84.02034	2.1
85.02840	100.0
86.03191	2.2
87.00776	2.5
89.02316	1.6
95.01265	1.1
98.19733	0.8
101.02342	3.2
103.00243	1.7
111.00795	2.9
113.02367	2.7
113.05999	1.0
115.00305	1.3
119.04932	2.5
121.02840	1.8
129.01865	10.1
131.03406	2.4
133.01410	1.2
134.03674	1.3
135.04488	0.9
147.02937	11.9
157.01360	1.1
157.05034	0.9
163.03946	3.4
173.00887	2.1
175.02493	5.3
179.03259	1.1
179.19955	0.7
191.01944	29.8
192.02222	1.9
200.35823	0.7
209.03021	34.5
210.03470	0.9
213.21780	0.7
216.56665	0.8
223.28821	0.8
242.36829	0.8
355.06573	2.1
355.10614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47578	0.6
55.01760	1.4
57.03334	10.9
59.01263	7.2
68.99674	0.9
70.57638	1.8
71.01267	3.6
72.99194	1.9
73.02827	0.7
74.46770	0.6
75.00751	1.6
83.01261	2.6
84.02051	3.3
85.02840	100.0
86.03171	2.2
87.00766	1.6
89.02352	1.3
92.07285	0.6
95.37983	0.5
101.02335	1.1
103.00269	1.0
109.25150	0.5
111.00809	3.5
115.00317	0.7
119.04931	2.1
126.59567	0.5
129.01855	10.2
133.01343	1.3
134.03679	1.4
135.02940	0.5
135.04466	1.5
136.04721	0.8
147.02924	11.9
148.03261	0.7
163.04008	3.0
167.19487	0.5
173.00867	2.4
178.02682	0.6
179.03441	1.6
180.03816	0.5
181.03972	0.9
191.01956	31.1
191.05585	1.0
192.02347	1.2
192.05891	1.3
193.01407	0.6
193.04851	1.0
193.06238	0.8
196.19165	0.5
208.00285	0.8
209.03026	38.3
210.03494	1.1
228.58803	0.5
283.25571	0.5
302.53876	0.6
347.33273	0.5
355.06836	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.7
57.03340	15.0
59.01258	8.8
71.01263	11.0
71.33396	2.3
71.44388	1.0
72.99194	3.4
75.00767	4.0
83.01288	3.0
84.02066	3.2
85.02840	100.0
86.03196	2.7
87.00793	1.6
89.02340	3.1
89.31445	0.9
101.02357	1.1
103.00276	1.7
111.00803	3.6
115.00276	1.6
119.04951	2.7
128.92705	1.1
129.01833	6.3
132.04337	0.9
133.01334	4.8
134.03679	7.5
137.02414	1.2
147.02925	7.3
154.16927	1.0
191.01942	26.1
193.01346	1.7
193.05005	5.4
209.03021	61.5
210.03334	2.7
285.18701	0.9
290.25317	1.1
354.02261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0892
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
57.03331	7.6
59.01264	18.9
66.58470	1.9
67.01778	2.9
68.99698	2.4
69.03341	6.5
70.70157	3.8
70.70486	2.2
71.01266	41.2
72.99192	60.0
73.02835	50.6
74.92976	2.0
75.00790	2.1
81.74223	2.1
83.01270	5.1
85.02839	52.5
86.35332	2.0
87.00772	7.4
89.02280	2.4
95.01272	16.1
96.95907	4.4
98.20478	1.9
99.00783	8.8
101.02348	20.2
103.03895	4.6
108.81104	1.9
113.02356	81.3
114.02730	2.9
115.00246	9.9
129.01857	30.2
131.03427	50.3
157.01372	24.4
175.02441	100.0
176.02754	3.5
355.08875	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	355.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.5
69.41007	2.9
69.41433	1.7
71.01278	2.3
71.04920	0.5
72.99205	0.9
73.02854	1.6
75.00773	2.2
81.03333	2.5
83.85548	0.5
85.02844	2.5
87.00768	1.8
89.03870	3.2
99.00784	0.9
99.04427	1.4
99.75030	0.5
106.04163	0.5
111.20177	0.5
116.15067	0.5
117.01891	0.9
117.03365	11.2
119.04965	3.6
129.01859	1.5
134.03659	100.0
135.03949	4.3
137.02412	0.8
143.03433	1.3
143.52454	0.5
146.73746	0.6
149.06001	7.2
161.04518	2.2
163.03932	2.6
164.04306	0.7
178.02672	1.4
178.50592	0.5
179.05531	5.2
189.62373	0.5
191.05661	0.5
193.05028	80.8
194.05353	5.0
209.06665	4.2
355.10379	5.1
356.10608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48402	0.4
54.20872	0.4
56.95209	0.5
57.03315	0.9
59.01261	3.5
69.03343	0.9
71.01260	3.1
71.04900	1.4
71.33779	1.0
71.34150	0.4
72.99192	2.8
73.02840	2.7
75.00761	36.4
79.91165	0.4
81.03356	4.0
85.02839	3.5
87.00775	2.9
89.02323	0.6
97.02895	0.5
99.00770	3.3
99.04401	1.8
117.01806	0.6
117.03365	1.8
125.02225	0.6
134.03662	35.3
135.02953	0.5
135.04004	0.9
143.03433	8.6
147.02904	0.7
149.06033	2.1
160.01614	0.7
161.02350	0.9
161.04523	4.9
163.03937	0.7
178.02689	0.8
179.05565	100.0
180.05896	3.4
191.01878	1.0
193.05022	26.9
194.05371	1.8
209.01178	0.7
209.03001	1.5
355.10464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1041
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.68231	0.4
55.70451	0.4
57.03331	1.1
59.01258	2.5
61.98730	0.6
70.32407	1.4
71.01266	1.8
72.99207	0.6
73.02818	0.5
75.00767	1.0
75.23393	0.4
85.02837	9.8
87.00774	0.6
98.19897	0.5
101.02346	0.6
111.00806	1.0
119.04946	1.8
121.02810	0.9
129.01865	0.9
129.45277	0.5
133.01497	0.4
133.02835	0.9
134.03659	91.6
135.02910	1.1
135.04024	3.6
137.02379	3.6
139.03915	1.4
147.02913	0.7
149.02304	0.9
149.06015	22.4
150.03242	0.6
150.06349	1.1
163.03897	2.4
164.04277	0.6
165.04404	0.5
178.02669	14.8
179.03160	0.7
191.01930	3.6
192.00446	0.5
193.05028	100.0
194.05359	5.2
204.15007	0.4
209.03008	6.8
209.06612	1.0
238.07156	0.6
291.99286	0.4
311.79886	0.5
315.61658	0.4
355.06531	0.8
355.10336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31551	0.3
57.03331	0.5
59.01263	2.2
61.98718	0.6
71.01272	1.2
71.57691	0.6
73.02828	1.6
74.39967	0.3
75.00758	5.7
75.83122	0.4
81.03345	1.5
85.02841	2.6
87.00772	2.5
89.03854	1.6
99.04411	1.9
117.03365	5.8
119.04940	1.4
120.05307	0.4
121.02829	0.5
126.49447	0.3
133.02899	0.4
134.03654	73.9
135.02890	1.0
135.04024	2.4
137.02370	2.4
139.03960	0.6
142.23041	0.3
143.03413	1.0
149.06007	9.1
150.03131	0.4
161.04486	6.4
163.03940	1.4
178.02661	9.3
179.05565	7.5
191.01907	0.6
193.05025	100.0
194.05370	4.9
209.02943	1.0
355.10342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.5
71.01284	0.4
71.26877	0.8
73.50726	0.4
85.02851	1.4
107.94241	0.5
121.02889	1.1
133.02888	1.2
134.03670	57.0
135.04013	2.6
137.02382	7.2
139.03960	1.8
149.06029	15.9
149.07208	0.9
150.03165	0.5
150.06352	0.7
160.01569	0.6
175.03900	0.6
178.02678	31.9
179.03015	1.3
192.05887	0.7
193.05035	100.0
194.05367	4.8
203.03465	0.6
209.03120	0.5
235.06125	0.5
235.30275	0.5
355.10321	1.1
356.07407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.70345	0.5
57.03339	1.3
59.01259	6.1
68.99712	0.7
71.01259	7.6
71.04918	2.5
71.07887	1.4
71.08221	0.5
72.99197	7.7
73.02832	7.5
75.00761	31.6
81.03340	5.3
81.03719	0.6
84.02063	0.6
85.02852	5.2
87.00763	3.4
87.04408	1.4
89.02380	0.9
89.03857	1.6
97.02866	1.0
99.00776	2.7
99.04405	7.0
106.06536	21.6
108.08096	1.1
117.03374	8.8
134.03664	100.0
135.03914	3.3
137.02338	0.7
143.03421	7.5
147.02887	1.1
149.06020	7.6
150.05550	13.8
155.42725	0.6
161.03206	1.1
161.04497	16.4
164.07108	1.6
175.03859	0.7
178.02666	1.5
179.05568	72.2
180.05949	1.7
184.10840	0.6
185.37338	0.6
191.01938	1.3
192.06595	1.6
193.05028	91.7
194.04628	3.9
209.02991	2.3
236.05750	0.6
296.07587	0.9
334.65540	0.6
355.06204	0.8
355.10413	14.6
356.10144	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62622	1.2
53.34198	1.2
57.03329	4.7
59.01265	16.9
61.65723	1.3
69.03345	1.5
69.34154	6.0
69.34585	6.1
71.01251	3.1
80.82997	1.2
81.03368	2.2
85.02846	13.2
85.87204	1.3
95.04897	1.9
97.02831	4.3
97.06485	1.8
107.07249	1.3
109.06493	1.5
123.04417	6.1
123.08080	2.7
125.05986	2.4
125.09644	7.4
129.01794	1.8
137.05969	1.4
137.09634	5.5
141.12796	1.6
149.06049	1.7
159.49117	1.3
161.04391	1.8
161.09529	1.4
163.11218	11.3
165.12740	2.0
166.89857	1.2
177.12732	1.2
181.12283	3.9
181.94862	1.4
183.01152	3.4
185.11794	9.5
191.01949	4.1
191.14372	11.7
207.10231	5.6
209.02998	4.1
225.11247	5.0
225.14876	1.6
227.18010	1.7
243.17397	1.6
245.19118	27.6
246.19560	2.1
271.17062	2.8
289.18143	100.0
290.18408	11.0
291.19598	1.5
307.19205	63.7
308.19458	8.4
355.15787	1.3
355.19629	13.9
374.59647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2288
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.31910	0.9
59.01265	4.6
66.58672	0.8
69.47964	4.5
69.48394	3.3
71.01279	1.2
75.49369	0.9
79.64751	0.8
82.50375	0.9
85.02846	3.6
98.20507	1.8
109.02832	1.6
111.00878	1.0
122.03667	8.7
127.07574	2.8
135.04443	21.0
136.01610	1.7
136.04770	1.2
147.08054	2.5
149.05986	2.0
149.09625	6.2
151.07581	2.9
154.02654	2.2
155.10690	1.1
161.09666	8.2
163.07623	2.9
163.11238	47.6
164.08398	13.6
164.11549	2.3
165.09128	9.4
177.09174	70.0
178.09938	18.9
179.10739	69.0
180.11069	4.1
183.10258	2.1
187.11311	1.3
191.10736	13.6
193.08694	7.6
242.42857	1.1
261.19342	0.9
265.12436	1.8
268.13089	0.9
279.14072	1.0
280.14767	3.0
298.15817	52.4
299.16147	4.1
307.17123	1.4
309.22382	1.3
337.21811	52.7
338.22113	6.5
340.20499	91.3
341.20828	9.3
355.22873	100.0
356.23172	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	355.2497
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
52.14178	1.4
53.35351	1.2
55.69544	1.2
56.45169	1.2
57.03328	1.1
59.01262	15.2
69.03319	1.8
69.69500	9.1
71.01262	1.9
83.04910	1.5
85.02838	13.3
90.94264	1.2
91.55614	1.0
97.06490	18.3
129.01883	1.4
137.09628	1.8
155.78273	1.1
171.10257	2.2
175.11284	1.4
183.01212	3.6
191.01976	3.0
191.88321	1.2
193.12326	17.2
209.03061	4.4
221.11935	1.4
225.14955	28.7
226.15314	1.6
226.80887	1.2
253.14412	2.4
257.17606	2.7
276.88593	1.2
304.82645	1.2
305.21201	1.5
355.20157	4.0
355.24939	100.0
356.25278	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	355.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.3
59.01266	11.3
59.38660	1.0
69.03329	2.1
70.84718	2.7
71.01277	2.3
83.04945	1.0
85.02850	8.6
97.06480	19.0
111.00766	1.1
137.09665	1.5
165.12750	1.0
176.97560	1.1
177.71608	1.0
183.01126	2.7
191.01913	3.2
193.12296	15.1
194.12727	1.3
209.03006	2.7
211.74863	1.1
221.11806	1.9
225.14955	25.6
226.15363	1.4
227.12808	1.8
253.14522	2.0
257.17654	1.8
305.17776	1.3
305.21112	1.7
310.97342	1.1
331.36237	1.1
355.24948	100.0
356.25262	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	356.0994
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01258	1.9
61.98705	0.3
69.03348	0.5
70.49706	0.4
70.50101	0.4
71.01270	1.3
72.99170	0.3
85.02834	1.5
89.02356	0.7
95.01286	0.4
96.95933	0.3
97.15400	0.2
98.19861	0.2
101.02348	0.8
101.49975	0.2
103.04123	0.3
104.04961	0.6
106.06526	100.0
107.06855	3.5
113.02367	1.9
118.06542	2.9
120.08086	0.6
131.74437	0.2
134.03636	0.5
134.06044	0.2
139.77083	0.2
146.06067	1.2
150.05539	82.5
151.05881	3.8
161.04553	0.3
162.05518	0.6
163.00626	0.4
164.07117	12.9
165.07457	0.7
185.00938	0.5
190.06787	0.3
192.06627	9.4
192.94893	0.2
193.05273	0.3
193.06963	0.6
194.04550	13.5
195.04861	0.5
236.05598	1.8
296.07758	2.0
356.09918	7.9
357.10049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02390	0.5
59.01266	1.8
59.48207	0.5
61.98716	100.0
66.87469	0.5
69.50616	4.3
71.59341	0.5
85.02853	0.6
98.19781	0.7
99.85709	0.5
110.04219	0.5
121.02868	1.2
221.15451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1198
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.40050	1.0
58.00449	1.1
59.01264	25.0
60.01581	1.2
61.98728	1.4
68.03507	0.9
69.54010	7.4
71.01276	13.8
72.99192	3.2
73.42172	1.0
75.00751	2.1
75.55403	0.9
85.02847	2.5
87.00752	2.3
89.02341	10.2
95.01276	1.2
98.19823	2.3
101.02356	7.5
101.98831	0.9
109.02828	1.7
113.02338	4.8
117.03350	1.5
119.03408	4.4
122.38669	1.0
123.04414	3.0
124.01646	1.3
125.02315	1.4
133.02924	1.8
134.03609	3.0
135.02884	3.3
135.04333	1.3
136.05241	2.7
137.02344	3.7
151.03952	12.1
152.07133	1.5
153.05487	1.1
161.02390	2.7
162.03172	63.5
163.03893	6.0
177.05531	61.1
178.05899	2.8
179.03506	4.9
179.05553	3.3
180.04254	57.8
181.04568	1.6
193.05029	2.8
194.05406	1.8
195.06616	100.0
196.06917	4.8
357.11993	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	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01604	1.2
66.17001	0.3
70.46226	0.8
104.38606	0.3
109.02914	0.4
121.02880	2.0
150.55396	0.4
154.81721	0.4
155.57434	0.4
169.88324	0.4
200.56378	0.4
223.13402	3.0
297.17126	0.5
357.06268	0.5
357.26831	0.5
378.57657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	6.8
57.03328	5.0
59.01264	40.3
60.93999	3.8
69.03327	9.1
69.31718	14.2
69.32143	23.9
71.01262	7.4
71.98065	4.0
81.03336	17.7
81.15162	4.2
83.01273	46.5
83.04920	11.0
84.02064	11.6
97.06494	16.7
99.08056	7.2
111.08070	5.5
121.02876	26.3
121.06512	6.5
125.02369	4.6
125.05981	4.6
125.09641	77.0
127.07571	5.9
127.11179	6.2
135.08069	9.3
139.11217	5.1
153.09175	4.8
163.11232	16.5
165.12770	8.6
165.16566	4.3
167.10722	8.2
171.10214	27.7
181.12317	8.9
185.11795	4.8
191.10725	47.7
192.11227	4.6
197.11824	8.4
199.13338	19.6
207.10304	6.9
209.11795	95.1
210.12357	5.8
211.59763	3.5
223.13399	14.0
226.12071	45.7
239.12883	10.5
239.16576	8.7
241.14461	100.0
242.14763	8.7
289.18149	18.8
307.19147	9.7
321.20593	7.5
323.08417	4.2
325.20248	8.1
357.06210	6.8
357.22864	5.7
357.26602	83.8
358.27017	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	357.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49453	3.3
57.03340	6.1
57.77838	4.0
59.01271	24.6
63.76783	3.3
69.86479	19.4
71.01263	4.6
81.03348	10.5
83.01272	34.0
83.04915	7.6
84.02062	8.0
93.49565	3.7
95.04908	4.6
97.06502	7.8
98.19886	4.4
105.90755	4.1
118.96191	3.7
118.97127	3.3
121.02859	23.0
125.09639	60.1
131.82039	3.4
134.43767	3.3
135.08136	4.7
163.11214	13.7
165.12798	11.9
171.10172	6.6
185.11829	7.7
191.10719	37.8
192.95844	5.3
197.11818	5.8
207.10208	4.3
209.11810	65.8
223.13353	15.8
226.12099	41.0
239.12872	8.2
241.14479	100.0
242.14734	9.2
289.18179	8.5
357.05975	10.3
357.26361	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	357.2291
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.01752	0.4
57.03337	2.1
59.01272	3.3
63.68294	0.3
65.03835	0.4
67.05411	0.4
69.03337	3.3
69.56671	2.6
71.01244	0.7
71.04914	0.6
80.02541	0.6
81.03342	0.8
83.01257	0.5
83.04914	3.4
84.01562	0.5
84.02061	7.5
85.02837	1.6
85.06483	1.9
87.04408	2.7
95.04921	7.5
96.43407	0.3
97.06490	2.1
99.04403	0.5
109.06464	0.7
111.04424	1.3
111.08041	0.5
112.08401	0.4
113.05997	2.5
120.99578	4.3
121.06509	0.4
123.04439	0.8
123.08014	0.5
125.02339	0.8
125.09653	4.5
135.08073	0.9
137.02382	0.9
137.09630	1.7
149.13161	0.5
151.11243	0.9
152.10440	0.4
153.09140	1.2
163.11215	1.4
165.01859	0.4
165.12793	1.5
167.14328	0.6
171.10223	15.7
172.10561	1.0
175.11201	1.2
177.09131	1.1
177.12691	0.4
179.03497	0.9
185.11746	0.6
193.12318	16.5
194.12646	1.1
197.15524	0.6
199.13333	0.7
205.14841	0.4
209.11870	1.2
211.13385	5.0
219.10136	0.4
219.13925	1.5
221.11870	0.5
225.14970	22.6
226.15294	1.3
237.14972	1.3
243.16051	13.7
243.18562	0.4
244.16331	1.2
249.14948	0.8
251.16510	3.0
253.14511	0.9
269.17636	4.4
281.17636	1.1
282.12378	0.4
289.18231	1.4
295.19244	0.7
302.43069	0.5
321.20807	1.4
339.21951	2.1
357.14069	2.2
357.22888	100.0
358.23270	10.5
380.35806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33474	0.4
57.03328	4.3
59.01274	2.1
69.03325	2.0
69.38021	1.3
69.38448	2.9
71.01266	0.6
71.04903	1.4
73.02844	0.6
73.37347	0.4
73.50668	0.4
79.05439	0.7
81.03341	0.6
83.01266	0.5
83.04919	2.4
84.02068	5.2
85.02831	0.5
85.06475	1.1
87.04398	1.7
95.04921	4.0
97.02892	0.5
97.06512	2.1
99.04411	0.8
101.02354	0.7
106.04156	1.4
109.06503	0.6
111.04404	1.3
113.05972	1.4
120.99564	1.0
122.03598	0.6
123.04445	2.5
123.08070	1.1
125.02370	2.1
125.09659	3.2
127.11195	1.3
128.95187	0.4
135.08096	2.4
135.98294	1.0
137.02350	2.8
137.09581	0.5
139.11198	1.3
150.03175	3.9
151.00259	1.0
153.09120	1.7
155.72980	0.5
163.11259	0.9
164.01596	0.8
165.01915	2.2
169.12303	0.9
170.09459	0.7
171.10216	30.9
172.10536	0.9
175.11218	1.0
177.12753	0.5
178.03207	0.5
179.03452	0.5
185.11757	1.3
193.12292	8.2
195.13789	0.4
197.11705	0.5
197.15451	0.7
199.13258	0.5
206.02766	4.4
207.17543	0.5
209.11781	1.2
211.13332	1.9
219.13910	0.9
225.14978	10.2
226.15187	1.2
232.00723	1.2
237.14919	1.4
243.16026	6.2
251.16580	1.6
252.10622	0.4
253.14577	0.5
267.23215	1.2
269.17578	2.3
269.21512	0.5
281.17761	0.7
288.06448	0.8
289.18121	3.3
307.19177	0.5
309.24490	1.3
311.22324	6.1
312.22733	0.7
321.20898	0.5
325.20343	0.7
327.25433	0.5
339.21695	1.4
339.25327	1.0
357.13470	1.6
357.22763	70.6
357.26553	100.0
358.03915	2.0
358.23093	7.5
358.26895	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	359.1511
Annotation	Muricarpone A
Peak:m/z	Relative Intensity
51.73594	0.6
57.03358	1.1
59.01265	13.0
63.88179	0.6
64.05944	0.5
69.03345	0.8
71.01266	8.0
71.57327	0.8
72.99238	0.5
83.01285	1.5
84.38469	0.5
85.02856	1.6
89.02337	7.8
95.01275	0.9
101.02338	3.5
107.01270	0.9
107.04891	1.5
108.02086	1.6
109.02869	1.3
113.02338	3.1
119.03402	3.4
121.02869	2.0
121.06477	1.5
122.03654	1.1
123.04451	4.2
125.02363	4.3
132.77831	0.5
135.04453	25.3
136.04793	0.9
137.02371	7.9
138.02850	0.6
147.04497	0.8
149.02376	1.9
149.06012	7.8
150.03172	6.7
151.00307	1.8
151.03954	1.2
163.03960	2.3
164.01041	0.8
164.04721	0.7
165.01831	1.1
165.05513	3.5
169.01418	0.6
171.10249	1.7
177.01703	0.6
178.99850	1.4
179.03551	0.6
179.05507	0.8
179.07103	21.0
179.10670	4.5
180.07881	58.0
181.08241	2.3
182.05792	1.1
183.04384	0.7
189.01772	0.6
194.05836	4.1
194.09521	3.5
195.10248	7.5
208.07388	15.7
209.07733	0.9
212.06834	3.3
214.02858	0.6
221.08099	0.7
222.08977	1.5
223.09763	100.0
224.10085	5.6
225.01945	0.6
226.08466	6.4
227.03542	0.6
235.09740	1.4
243.02953	1.1
255.03090	0.7
255.06789	0.6
265.04413	0.9
269.08279	2.3
279.08423	0.6
281.08337	0.7
283.09729	2.0
287.03851	5.5
299.09323	2.9
300.10162	1.2
311.09329	3.0
314.11795	2.2
315.12485	1.4
316.05801	0.9
316.13214	1.2
326.11621	3.7
329.13992	3.8
331.06311	1.0
331.15613	4.8
341.13965	3.3
344.12900	0.6
359.05661	1.4
359.15076	16.8
360.15448	1.4
371.59097	0.6
379.04663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59986	4.8
56.55079	5.4
59.01271	42.0
60.90031	6.2
70.95063	9.7
70.95387	6.8
71.01266	27.2
73.02854	5.3
73.04549	5.7
75.48899	5.5
81.03351	5.0
82.97272	6.0
97.06464	7.3
98.47478	5.1
99.51934	5.6
107.04935	5.9
109.06504	36.5
122.35203	6.6
124.12968	5.2
125.09702	8.1
127.11168	8.5
151.07582	31.0
153.09081	6.6
163.11214	18.5
171.10223	100.0
182.30585	5.3
199.09686	19.9
207.10269	37.5
217.00328	5.7
225.11249	10.1
243.17543	13.3
287.16565	7.9
305.17554	65.9
306.17877	9.6
312.28912	5.4
341.96960	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	359.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81411	3.2
59.01268	30.2
70.56679	11.2
71.01266	22.8
81.03342	4.8
97.02835	5.8
97.06468	6.9
109.06541	26.3
137.05927	3.3
138.05615	3.9
151.07559	11.4
163.11211	15.2
163.12386	3.3
171.10217	100.0
181.12273	6.6
199.09744	10.3
207.10240	41.9
217.00247	9.8
225.11340	18.3
243.17693	3.6
287.16599	9.0
305.17688	31.2
323.18814	5.1
359.95868	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	32.0
61.88685	5.3
69.62086	5.9
70.31820	12.3
70.32211	10.6
71.01264	23.6
74.56334	5.6
81.86036	5.1
93.03297	5.8
97.06480	8.9
98.55252	5.6
109.06503	36.4
121.06496	5.4
125.09583	6.3
127.11243	5.9
133.06548	6.4
135.14259	5.5
137.45255	5.5
137.87108	5.0
151.07608	36.3
163.11221	16.9
171.10223	100.0
172.10596	5.5
179.20915	5.1
199.09682	17.1
207.10237	40.4
211.13242	5.9
217.00340	7.7
225.11284	25.9
243.17470	15.6
287.16541	15.7
305.17615	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	361.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.6
59.01268	11.0
61.86723	1.0
65.03871	1.6
65.84859	1.1
69.61135	1.0
69.83200	6.2
71.01271	3.8
72.99193	6.0
73.02827	2.0
75.00760	12.9
80.75621	1.0
83.04922	2.7
85.02840	1.9
87.00761	5.9
89.02338	5.0
93.03351	3.5
95.01308	1.7
95.04941	1.8
96.95277	2.5
96.95908	48.4
101.02327	2.1
109.02876	2.7
111.04425	2.3
111.08054	1.5
113.02329	1.7
117.01862	2.3
119.08559	1.7
121.02875	6.3
121.06486	1.6
123.00819	2.8
123.04455	4.6
123.08086	9.3
124.07144	1.1
125.02307	1.2
135.02924	36.2
135.04480	2.4
136.05208	1.4
137.02367	6.6
137.09656	2.0
138.01900	2.2
138.03082	1.4
139.02255	2.4
139.03932	2.3
139.07593	1.4
148.01573	5.3
149.02379	4.6
150.03123	1.5
151.03944	2.4
151.07564	1.6
153.05515	4.7
153.09151	1.9
163.03946	5.0
166.02673	3.9
171.11789	9.9
172.12032	1.4
179.03473	1.4
181.01543	1.1
181.05019	3.5
181.08678	3.8
189.12831	3.7
193.01378	1.7
193.05022	2.6
201.12817	5.1
207.13834	2.2
209.04526	1.7
219.13908	1.8
225.04140	1.5
237.14970	13.3
243.05202	2.1
281.13977	18.6
282.14359	1.6
339.86267	1.0
361.09723	100.0
361.14954	10.5
362.10016	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47899	0.4
55.01754	0.5
57.03335	4.1
59.01261	7.2
62.37934	0.4
65.03841	1.5
70.57806	1.5
71.01270	4.0
72.99176	1.2
73.02846	1.2
75.00755	0.8
75.82732	0.5
77.95794	0.4
79.95633	1.2
83.04906	3.6
85.02843	1.2
87.00768	5.0
89.02344	2.1
93.03343	0.6
95.01299	0.8
95.04906	1.2
96.95908	54.2
101.02348	1.9
107.08541	0.7
109.02798	0.6
111.04408	2.3
111.08048	1.5
113.02342	1.6
119.03442	0.6
119.08611	0.9
120.99520	0.5
121.06541	2.4
123.04403	0.5
123.08076	10.9
124.05220	1.1
129.07004	0.5
129.92493	0.5
131.03413	0.5
133.06511	0.7
135.02917	2.0
135.04462	0.5
135.08073	0.6
137.09662	2.3
138.06760	0.7
139.07576	1.8
145.02853	1.2
145.10175	1.9
146.46315	0.5
149.02429	0.5
151.07555	0.9
153.09157	1.7
163.07587	0.7
169.08784	0.7
169.10179	2.0
171.11749	13.8
172.12050	0.7
175.11330	0.7
181.08688	1.6
185.09679	0.5
189.12865	5.3
198.99863	0.6
199.09875	0.6
201.11200	0.6
201.12851	6.2
202.13063	0.8
203.19086	0.5
207.13934	3.3
219.13895	2.5
237.14960	15.3
238.15341	1.2
259.60797	0.5
281.14011	23.0
282.14310	1.6
317.10834	1.3
356.14908	0.5
361.09717	100.0
361.14917	10.6
362.10046	10.1
362.14896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1511
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.95024	0.8
57.03343	1.1
58.00470	0.9
59.01260	8.7
69.26526	9.2
71.01260	4.7
72.99204	0.9
73.02837	3.3
83.01266	1.3
85.02852	2.2
87.04414	2.4
89.02342	1.3
93.83438	0.7
101.02364	1.9
108.10394	0.8
113.02356	3.6
115.00301	1.8
133.01353	4.5
135.02913	0.9
135.08080	1.2
137.09666	9.8
138.03030	0.8
155.10712	99.9
156.11078	4.7
166.06294	1.2
181.08646	1.7
199.09720	100.0
200.10080	6.5
209.11749	1.5
213.11240	0.8
215.47374	0.8
241.10861	5.6
301.20313	1.3
319.21173	1.6
325.14261	1.0
361.15057	2.1
361.18689	7.8
361.22552	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1512
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
55.01762	0.9
57.03314	0.8
58.00473	1.2
59.01264	31.1
60.01584	1.0
71.01270	17.9
71.35601	1.3
72.99199	12.5
73.02839	1.2
75.00758	1.3
83.01286	1.7
85.02841	5.9
87.00763	1.6
89.02335	10.4
93.03377	0.6
95.01266	1.6
96.95909	0.9
97.02940	0.5
99.00768	0.7
101.02341	10.1
113.02346	4.4
119.03401	3.1
119.04926	0.7
119.08571	3.4
133.06538	1.8
135.02911	1.4
135.08044	1.8
137.09630	0.7
138.05519	1.9
139.05922	0.7
141.09169	0.5
145.02898	0.8
149.02530	0.6
163.07587	5.2
181.08667	10.9
182.08890	0.5
197.99202	0.7
198.99919	2.2
199.09691	2.0
223.42592	0.6
301.11270	1.7
329.12500	3.7
343.14426	0.6
361.15082	100.0
362.15494	9.0
365.69382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13921	0.7
59.01264	96.3
60.01612	1.0
66.31410	0.6
69.56716	5.2
71.01264	1.1
83.04922	2.2
83.67435	0.8
86.96829	0.5
98.46404	0.7
99.76662	0.8
113.02307	0.9
115.71825	0.6
116.17194	0.7
128.93860	0.8
135.04474	0.7
142.19836	0.6
148.70688	0.7
156.85913	0.7
163.11150	1.1
165.12772	1.5
179.03490	0.8
199.13429	1.2
209.11815	100.0
210.12125	6.6
227.12859	6.2
250.88860	0.7
341.52783	0.8
361.18756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
69.28161	11.3
69.28574	2.9
74.83827	1.6
78.95803	1.6
97.63358	1.4
123.00824	1.7
181.85085	1.8
212.07443	1.5
282.80017	1.5
301.16650	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02866	0.6
57.03351	0.7
59.01043	0.6
59.01263	6.5
63.08048	0.6
65.99719	1.6
71.01266	4.4
72.99197	0.9
73.02870	0.7
74.98977	2.6
82.02869	37.0
83.01279	3.1
85.02831	2.1
87.00744	1.1
89.02326	3.0
92.04933	1.3
94.02880	2.3
98.19736	1.4
99.00742	1.1
101.02338	2.7
105.01843	1.6
106.02898	0.9
108.04459	0.7
110.02379	1.0
113.02347	1.5
117.03397	0.8
118.02852	0.8
119.03401	1.3
120.04462	1.5
120.99529	1.0
121.01595	1.3
122.02377	1.8
122.06029	4.4
135.02898	2.5
136.03972	26.8
136.07605	1.3
137.04301	0.8
146.02382	0.8
147.02928	1.0
148.04008	0.7
150.05667	0.9
152.03461	1.5
160.07591	1.5
160.96332	0.8
161.04558	0.7
161.07144	1.0
162.60532	0.6
164.03474	41.6
165.01781	0.7
165.03783	1.3
167.99976	0.6
173.03508	0.6
174.08934	0.6
176.07115	1.6
178.08658	1.2
179.03526	0.7
180.02922	1.9
182.04565	4.3
183.10240	1.8
188.07162	1.3
194.04543	21.8
195.03613	0.8
195.05293	7.0
196.06120	26.7
196.07938	1.3
197.06381	1.3
201.11308	1.6
202.08653	3.2
204.06635	1.5
207.46454	0.6
215.06155	0.7
216.06787	0.8
217.06221	2.0
228.06624	1.3
229.06036	1.7
231.07796	3.1
242.08125	1.0
243.07831	1.1
243.11368	1.2
244.09862	8.6
245.09305	2.9
254.69290	0.7
255.05429	1.0
258.06482	2.1
259.07144	2.6
259.10956	2.3
269.09396	2.2
270.07788	4.8
271.07401	3.9
272.08151	1.7
287.10416	100.0
288.10815	7.8
291.09961	2.4
302.10300	0.8
313.08273	3.0
319.12958	2.9
331.09406	45.9
332.09644	3.5
363.11514	5.2
363.15668	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	363.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29872	0.4
57.03330	1.0
59.01260	6.3
60.97391	1.4
62.99015	0.6
63.96127	6.8
70.72157	1.4
71.01277	3.2
72.99194	7.0
73.98209	4.5
74.98981	6.6
75.00769	1.0
75.05920	0.5
76.96912	4.6
79.95621	5.6
80.96409	0.9
81.03341	1.0
84.12640	0.5
85.02830	1.1
86.02167	0.4
87.00768	21.8
88.01069	0.6
89.00543	2.5
89.02325	1.1
96.95912	8.6
98.03620	2.1
101.02317	1.4
105.01827	2.0
107.04916	0.9
109.02863	0.6
111.04451	0.5
111.08052	1.8
113.02343	1.3
117.97208	1.0
119.03426	0.4
119.04945	0.8
120.99575	0.9
123.08053	1.4
125.05972	1.8
127.23543	0.5
132.99573	17.5
135.02882	1.1
135.04443	1.0
135.98282	3.5
136.99034	0.9
137.17525	0.5
139.07579	21.5
141.09138	14.7
142.09438	0.5
147.02859	1.5
149.05972	1.8
151.00645	45.1
152.00949	0.7
155.10674	1.4
156.11070	0.5
161.09636	0.7
163.11183	1.7
165.09103	1.3
179.10666	1.2
183.10182	0.6
187.11220	1.9
189.09163	1.2
190.09839	0.9
195.08405	0.5
199.09688	0.9
205.12297	11.1
206.12737	0.7
211.13374	1.9
221.10185	0.8
239.11058	4.2
241.00137	0.7
257.12204	12.1
275.13168	1.5
335.94055	0.4
345.13989	1.4
363.07465	3.7
363.14856	100.0
364.15179	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	363.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03342	1.4
57.31448	0.8
58.00472	2.7
59.01263	70.8
61.98728	1.2
69.03320	1.1
69.49521	4.4
69.49947	2.6
71.01269	38.8
72.99216	5.9
73.02840	3.0
75.00758	2.0
77.63842	0.8
83.01281	1.8
83.04901	0.9
85.02859	8.2
87.00763	2.6
89.02334	39.4
95.01288	3.2
96.95901	2.1
98.19751	1.7
98.95486	2.0
99.00758	1.4
101.02341	26.8
102.02761	0.8
109.02903	1.4
109.06495	2.7
113.02354	14.8
119.03413	19.2
123.08067	1.0
123.82642	1.1
125.02361	1.1
125.07292	1.0
131.03394	1.2
135.02913	3.7
137.02396	1.9
137.09653	19.0
138.10152	1.0
139.11232	1.1
139.62553	0.8
147.56360	0.8
149.04488	1.0
151.07506	0.9
157.12360	1.4
161.04428	2.0
165.05531	1.4
165.09178	2.7
171.11705	1.1
179.05568	3.3
183.10269	12.7
195.06482	0.9
201.11378	4.2
363.09464	3.8
363.16669	100.0
364.17059	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	363.195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79834	1.4
59.01263	2.4
69.03326	2.2
85.02835	7.3
91.68551	1.7
97.06486	2.1
97.54926	1.3
99.28333	1.4
125.50297	1.6
137.09668	2.5
137.88483	1.3
152.66389	1.3
171.10213	16.3
183.13828	1.7
200.77905	1.5
211.13333	9.5
212.13571	1.5
221.11774	2.0
229.14507	8.3
229.36290	1.6
327.21826	100.0
328.22168	9.4
344.83850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0883
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
57.03335	0.4
59.01263	8.4
61.98720	0.5
69.80688	1.8
69.81103	1.0
71.01273	1.5
72.99193	0.9
73.02828	1.2
76.72784	0.4
83.01260	0.5
85.02856	1.0
87.00794	0.6
89.02349	1.0
96.95897	0.7
101.02367	0.8
113.02330	0.9
135.02953	0.5
136.21579	0.4
136.99103	0.4
140.29546	0.4
141.01755	0.5
143.03473	0.4
143.10776	1.0
145.02896	1.1
147.04498	0.4
151.00262	0.6
158.03682	15.4
159.04451	5.9
161.04468	0.5
171.04462	1.9
171.14679	0.5
175.03932	0.9
176.18443	0.5
177.01805	0.4
184.05161	0.6
193.01350	0.7
201.01910	1.3
201.05478	2.5
202.02692	100.0
203.03247	7.8
209.11790	0.4
211.89307	0.4
213.05568	2.5
227.03305	0.5
231.06656	1.1
245.04718	0.7
269.53458	0.4
275.05698	1.7
305.16138	0.6
365.08823	53.4
365.18539	1.6
366.09061	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	365.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
58.00480	1.0
59.01264	31.1
67.95991	0.5
69.75062	2.5
71.00896	0.9
71.01273	13.7
72.99191	1.4
73.02850	2.2
75.00743	0.7
83.01275	1.9
85.02838	4.0
87.00770	1.1
87.04415	1.2
89.02334	11.1
95.01276	1.1
98.20586	0.5
99.00776	0.9
99.56163	0.4
101.02342	11.0
101.05987	1.8
102.02701	0.6
111.00814	0.8
113.02358	4.9
119.03406	4.8
127.11234	2.7
139.11165	0.7
151.00322	0.8
155.10750	1.6
157.12296	11.2
161.04572	0.7
166.99812	0.5
171.13986	0.6
185.11800	2.0
187.13409	0.6
199.13347	1.0
203.12869	31.0
204.13211	2.0
245.13991	1.0
271.96185	0.4
305.16281	1.2
333.09897	0.5
365.18246	100.0
366.18591	9.5
367.96268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.4
59.01264	100.0
60.01600	1.4
61.98722	0.5
63.20357	0.3
70.26749	1.1
70.27160	0.4
71.01271	6.8
72.99236	0.3
85.02854	1.3
87.00760	0.5
89.02334	13.1
90.83292	0.4
92.70763	0.3
95.01298	0.7
95.14056	0.3
101.02348	3.9
101.26075	0.3
113.02358	2.8
119.03435	4.7
127.00335	0.4
131.03493	0.6
143.03439	0.9
149.04456	0.4
161.04584	1.0
179.05565	3.6
199.57909	0.3
269.25467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2338
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
50.92236	0.3
51.84830	0.3
57.03326	1.3
59.01263	5.6
63.33578	0.3
68.12912	0.3
69.12947	0.3
71.01258	0.7
71.56496	0.3
71.56873	0.4
83.04923	0.5
91.03902	0.6
95.04916	0.7
109.06499	0.7
111.08061	10.4
113.09622	0.7
123.38406	0.3
131.12683	0.3
135.11685	0.5
137.09608	1.1
149.09654	0.7
167.10703	2.2
177.12798	2.1
179.10738	2.3
195.12097	0.4
195.13861	7.0
196.14270	0.4
203.14401	0.7
205.64386	0.3
247.20647	2.4
248.20787	0.3
273.18600	1.4
291.19711	100.0
292.20035	9.9
300.41406	0.3
334.03796	0.4
365.23633	1.9
366.23682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2701
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.79772	0.4
59.01267	2.6
70.16290	0.4
70.80684	0.8
85.06482	2.4
90.68612	0.4
133.44493	0.5
167.18690	0.4
170.86916	0.4
198.90739	0.4
199.13338	1.8
231.47298	0.4
251.20187	0.5
261.18704	0.8
279.19702	17.4
280.20023	1.9
303.26764	0.8
347.25970	5.8
348.26364	0.8
363.25476	0.8
365.27008	100.0
366.27347	11.9
367.84341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01263	5.2
61.98701	0.2
63.90281	0.2
67.01776	0.5
71.01266	0.7
71.56853	0.3
72.99199	0.2
75.00764	0.3
83.83823	0.2
85.02846	2.1
87.00789	0.3
93.03355	2.2
99.00835	0.2
101.02338	0.3
101.48151	0.1
101.78481	0.2
106.47520	0.2
109.02821	0.2
111.04459	0.2
119.04913	0.4
125.02344	0.4
127.58251	0.2
129.01817	0.2
133.02861	0.2
134.03664	2.0
137.02354	0.4
144.04482	100.0
145.04822	5.1
147.02965	0.6
149.02364	0.2
155.03435	0.3
160.01631	0.3
160.03983	0.3
161.02336	0.2
163.03958	0.4
173.04506	6.6
173.06012	0.4
174.64127	0.2
175.03960	0.4
186.05569	0.2
190.21626	0.2
191.01976	0.5
191.05566	1.1
193.05029	1.3
214.04973	0.2
228.06725	0.2
246.07883	0.2
263.05743	0.2
268.04337	0.2
306.09888	7.4
307.10101	0.7
323.07864	0.3
367.10400	0.4
371.62012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.6
57.03339	13.0
59.01263	19.6
61.98714	0.8
67.01749	1.7
71.01270	4.5
71.55649	1.3
72.99190	2.0
75.00761	0.9
77.18713	0.8
83.01279	2.9
84.02048	2.6
85.02840	100.0
86.03201	2.7
87.00801	2.0
89.02347	1.3
93.03344	5.5
95.04941	0.7
97.02871	0.9
99.00751	1.2
101.02338	1.3
103.00270	1.9
108.05936	0.7
111.00781	2.3
113.02329	0.9
117.01833	2.0
119.04934	7.3
120.99551	1.1
123.04437	1.9
125.02333	0.7
129.01840	9.3
132.02087	3.0
133.02882	4.5
134.03677	10.8
135.02896	0.8
137.02341	1.2
143.69768	0.8
145.02898	1.7
147.02933	26.5
149.05983	0.9
160.00253	0.9
160.01602	16.1
161.02246	1.3
163.03967	9.0
173.00856	2.5
173.04532	10.9
175.03955	18.8
177.01761	1.2
177.03999	3.6
187.05902	0.9
191.01947	37.1
191.05573	11.3
192.02292	1.7
193.05032	6.2
212.30615	0.7
224.25813	0.8
263.05865	1.2
307.10547	0.7
323.07788	7.3
367.10675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.104
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.03329	0.6
59.01259	2.1
71.01260	3.0
71.42480	0.7
73.02837	1.2
83.01264	0.7
83.04893	0.6
85.02841	3.7
87.00758	0.7
89.02304	0.5
89.03866	1.2
93.03355	2.6
99.00782	0.6
101.02351	2.7
111.00743	0.4
111.04415	2.4
113.02344	1.3
117.03380	7.0
127.03879	0.4
129.01897	0.6
133.02858	1.1
134.03659	84.6
135.03957	3.7
137.02370	0.8
149.06027	6.5
155.03477	2.5
161.04512	0.7
173.04517	4.3
191.02000	0.4
191.05585	6.0
193.05037	100.0
194.05356	5.6
235.11867	4.0
308.35880	0.4
332.65845	0.4
367.10388	7.7
367.16089	4.0
368.10565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03334	4.0
58.28889	0.5
59.01264	9.7
59.04899	0.4
60.99191	2.2
61.98713	0.6
63.97261	0.5
67.01775	9.1
69.03332	2.7
69.55422	4.4
71.01270	6.9
72.99192	0.8
74.43443	0.6
81.03359	2.1
83.04914	1.8
85.02840	26.2
87.00765	8.0
88.76682	0.6
89.03871	1.3
93.03357	51.7
94.03696	1.4
95.01309	0.5
99.00794	1.3
99.04437	1.1
101.02332	0.7
104.21470	0.7
109.02859	1.6
111.00797	2.2
111.04430	10.3
113.02335	1.1
117.03367	4.0
119.04910	3.3
120.76696	0.5
127.03946	1.6
129.01860	1.9
133.02875	1.6
134.03665	31.8
135.03960	1.0
137.02374	4.7
145.02876	1.6
145.04781	0.6
146.06073	1.5
147.02936	5.0
149.06009	3.8
155.03412	5.2
160.01602	3.2
160.04047	0.6
161.02315	0.7
161.04515	0.7
163.03947	3.4
173.04506	100.0
174.04849	3.1
175.03984	4.8
177.03955	1.3
191.02005	7.8
191.05577	90.8
192.05971	4.2
193.05028	20.9
194.05446	1.2
263.05661	1.0
272.04926	0.5
323.07803	1.2
367.10358	7.8
368.10629	0.9
393.11261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
62.15430	0.1
65.86808	0.1
66.82075	0.1
66.94572	0.1
70.76838	0.3
70.77198	0.3
71.01252	0.2
92.02390	0.1
93.03336	0.2
98.19919	0.2
106.04143	32.1
107.04453	1.0
108.02089	0.4
121.02853	0.5
138.03152	6.7
139.03510	0.3
146.07310	0.4
150.03163	2.0
161.09657	56.8
162.09998	3.2
182.02162	2.4
205.08672	100.0
206.09021	5.9
375.70190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1405
Annotation	2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01754	0.9
57.03320	1.0
58.00482	2.8
59.01262	62.8
60.01588	0.8
60.24427	0.5
69.54303	1.8
69.54732	2.0
71.01266	30.4
72.01585	0.5
72.99199	2.6
73.02828	1.3
75.00752	0.7
83.01268	1.7
85.02842	7.2
87.00764	1.1
89.02333	28.3
93.03399	0.6
93.52307	0.5
95.01294	2.8
99.00772	2.3
101.01704	0.9
101.02345	15.1
106.04151	3.8
113.02360	12.7
115.00279	0.6
119.03421	10.2
120.87403	0.5
121.02873	1.4
123.00764	0.8
129.59517	0.5
131.03362	0.6
134.03676	0.7
135.04474	0.8
137.02367	1.1
137.70322	0.5
138.03171	1.2
138.69688	0.5
138.81718	0.5
148.86247	0.5
160.08945	0.7
161.04539	1.1
161.09660	16.5
162.09991	0.6
163.03995	1.0
163.07603	1.7
164.01004	0.4
173.16402	0.5
177.05554	0.7
179.05591	0.7
189.09221	1.1
199.13362	1.0
203.10754	1.7
204.07874	1.7
205.08684	51.3
206.09032	3.2
217.08768	2.5
219.10339	3.7
231.10211	0.6
247.09779	28.6
248.10150	1.6
277.10922	3.9
279.12366	0.8
307.11929	18.7
308.12228	1.5
337.12842	0.7
349.13058	0.7
367.14023	100.0
368.14371	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	367.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
57.03330	0.9
59.01262	100.0
60.01608	1.2
61.06345	0.3
69.03355	0.6
69.25150	2.4
69.25580	1.9
71.01263	12.5
72.99195	0.6
73.02837	3.6
75.00785	0.5
83.01261	2.3
85.02831	6.9
85.03294	0.6
87.00767	0.9
89.02332	2.8
89.06742	0.5
95.01299	1.2
96.21269	0.4
96.95889	0.5
99.00756	2.3
101.02341	10.6
111.00822	0.7
113.02341	7.0
114.17552	0.4
119.03485	0.8
119.04945	0.6
125.02374	0.6
129.01875	1.6
134.03728	1.1
143.03456	0.9
149.06068	0.4
151.00357	0.7
157.75156	0.4
159.02972	1.4
161.02397	0.8
161.04497	18.7
162.04832	0.5
163.03983	1.0
173.00955	0.7
175.03957	0.5
178.99788	0.7
193.05103	1.7
200.02266	0.4
205.03584	0.9
205.12434	1.0
217.50745	0.4
224.28102	0.4
307.17670	34.7
308.18005	2.6
325.03625	0.7
341.03369	0.4
367.06400	0.5
367.14059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	10.0
57.03340	13.5
59.01261	26.8
67.01756	2.0
68.99697	2.3
69.03339	7.9
69.26771	2.1
69.27089	18.2
71.01270	18.2
72.99200	7.9
73.02831	3.9
75.00742	5.8
83.01276	33.7
84.02068	1.9
85.02842	100.0
86.03168	2.7
87.00765	3.2
89.02345	7.0
93.03352	3.9
95.01315	1.6
96.95906	2.7
97.02859	9.2
99.00764	7.7
101.02336	5.2
102.89997	1.7
107.04962	2.2
109.02901	11.4
111.00075	2.7
111.00794	30.7
112.01093	1.7
113.02346	4.7
117.01855	75.4
118.02171	2.1
119.04949	38.6
120.05253	3.1
120.99529	3.0
121.02897	2.3
123.00846	1.7
123.04411	2.4
125.02349	3.8
129.01871	32.3
131.03410	10.9
133.02850	4.2
134.03612	4.2
135.02890	2.1
135.04449	21.5
141.01868	16.0
143.03426	12.8
147.02913	5.2
151.03938	2.2
161.02388	5.0
163.03954	45.7
173.00853	12.9
173.04556	5.1
175.02426	5.8
179.03474	20.2
183.10165	4.2
185.00903	4.8
189.03966	1.8
191.01936	31.4
203.05602	1.9
205.03506	8.2
207.05075	60.8
216.86359	1.9
223.02534	3.4
223.04601	45.3
223.06795	2.4
251.05630	6.8
279.08813	1.9
369.08047	3.6
369.12042	5.9
374.84024	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	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75888	1.1
55.01764	3.5
56.12598	1.1
57.03335	15.0
57.10271	1.3
59.01264	19.9
61.98692	2.5
68.99710	1.6
71.01271	16.0
72.99197	5.1
73.02818	2.5
75.00757	4.5
79.53574	1.1
83.01275	17.8
84.02048	2.4
85.02840	100.0
86.03191	1.6
87.00765	3.5
89.02328	5.6
99.00784	2.9
101.02342	2.2
103.00268	1.5
107.04935	1.4
109.02855	4.8
111.00801	10.2
113.02346	1.7
115.00297	3.3
117.01014	1.9
117.01843	31.2
117.03264	1.7
119.04941	19.9
125.02367	2.0
129.01859	17.1
133.01375	2.2
135.04474	6.8
143.03447	6.4
145.01506	1.2
145.02895	7.5
147.02934	6.4
163.03960	26.0
173.00885	16.9
177.01770	1.2
179.03470	8.4
179.46675	1.2
183.62717	1.1
183.95653	1.1
191.01942	58.3
192.02237	1.2
205.03413	1.5
207.03064	1.5
207.05089	29.7
223.04590	51.0
224.04852	1.5
229.26274	1.6
231.06648	3.7
269.78690	1.4
292.58972	1.2
337.05624	4.6
369.15839	1.5
374.34741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	3.3
57.03338	11.4
59.01262	13.8
61.98705	2.0
68.99696	1.6
69.49909	2.9
69.50327	2.6
71.01263	21.3
72.99189	5.3
73.02824	0.9
75.00751	5.0
83.01276	10.9
84.02059	2.8
85.02840	100.0
86.03166	2.0
87.00768	2.4
89.02342	7.0
98.19328	0.7
99.00779	4.3
100.59553	0.6
101.00420	0.7
101.02363	1.6
103.00253	1.8
111.00790	5.9
113.02422	0.7
115.00262	3.8
117.01836	1.4
117.03360	0.8
118.63136	0.7
119.04936	24.2
120.05226	1.1
125.02383	1.0
129.01854	11.1
133.01363	4.4
135.04504	1.0
143.03438	4.7
145.02893	9.6
145.03961	1.2
147.02924	9.5
147.04178	0.7
147.04568	0.7
163.03949	38.6
164.04315	1.5
165.05374	1.0
173.00830	5.6
183.06662	0.7
191.01944	53.1
192.02377	1.3
203.07117	1.1
205.03526	1.3
207.04951	1.0
207.13879	0.7
223.04581	53.5
224.04958	2.0
225.07549	0.9
231.06721	3.3
293.06778	1.0
337.05698	2.7
355.71582	0.7
369.08344	2.6
369.19174	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56654	0.8
58.00483	2.4
59.01260	17.5
64.14268	0.7
68.99692	0.7
69.03343	0.6
71.01276	5.7
71.56786	1.4
72.99207	3.0
73.02840	2.1
76.76119	0.6
83.01278	3.4
85.02843	6.4
87.00789	1.2
88.91579	0.7
89.02340	6.7
93.03379	1.2
97.02867	1.1
99.00792	2.8
101.02348	0.9
101.99506	0.8
107.04927	0.8
109.02862	13.8
111.00810	1.0
111.43015	0.6
113.02376	2.1
117.01849	100.0
117.05485	1.7
118.02214	2.8
119.04961	3.3
121.02866	0.7
123.04476	0.8
129.01883	0.9
133.02892	1.4
134.03670	2.5
135.04446	16.0
136.04828	0.7
141.01791	0.8
141.05460	0.9
142.55237	0.6
143.03473	0.8
161.02393	3.4
163.03957	4.0
179.03470	11.1
189.03990	4.3
191.01932	1.2
191.05528	0.8
192.00716	0.9
199.55635	0.7
203.05548	3.1
207.05080	91.0
208.05438	3.0
215.03435	1.4
215.05447	0.9
223.04643	2.0
251.05675	3.0
307.08215	2.6
325.09366	0.8
369.08319	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	369.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07419	0.8
55.01772	7.4
57.03337	12.9
59.01266	23.6
60.15189	0.9
60.68958	0.9
61.98717	6.0
64.52396	0.8
65.00203	1.0
68.99696	2.3
69.03338	1.3
71.01269	40.2
71.56872	1.1
72.01573	0.9
72.99197	11.3
73.02821	1.9
75.00763	3.2
79.01419	0.8
83.01275	32.2
84.02056	3.6
85.02844	100.0
86.03167	2.1
87.00766	3.0
89.02338	9.1
90.52715	1.0
93.03367	2.5
95.01290	0.9
97.02856	0.9
99.00781	9.7
101.02328	2.0
103.00271	1.8
109.02857	3.3
111.00797	26.4
113.02295	1.4
115.00288	7.5
115.03897	1.1
117.01855	15.8
117.03342	5.3
119.04942	76.6
120.05280	3.5
123.00770	1.2
125.02335	5.0
129.01866	39.4
130.02174	1.2
133.01375	6.2
133.02840	1.2
134.03645	4.1
135.04416	3.7
137.02330	1.3
143.03429	14.0
143.04988	1.3
145.02895	25.4
147.02924	4.7
147.04404	2.5
154.99753	6.1
161.02434	1.8
161.05988	1.0
163.03969	79.4
164.04276	3.6
171.03165	0.9
173.00882	44.5
174.01299	1.2
175.03947	2.0
177.01900	1.1
178.99788	1.1
179.03523	4.5
182.02292	1.4
185.06012	3.3
187.07597	1.0
191.01945	45.2
192.02235	1.8
193.05003	2.6
193.07077	3.2
197.04419	1.3
203.07179	4.3
205.03485	4.0
207.05095	11.0
223.04604	34.0
231.06645	10.7
275.05594	1.6
319.04623	2.0
327.31558	1.0
337.05646	6.7
369.04468	1.4
369.08444	1.6
369.19315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39568	0.6
55.01768	4.0
59.01260	5.0
65.31610	0.6
67.01749	0.8
68.50394	0.6
69.03342	100.0
69.49536	5.9
70.03667	1.7
71.01274	3.2
72.99197	2.4
79.01800	1.1
85.02846	3.5
89.02320	0.9
90.80508	0.7
95.01285	2.2
96.95934	1.0
97.02848	19.4
98.19828	1.2
99.00777	24.1
108.33678	0.6
109.02853	1.0
111.00826	0.9
116.45480	0.6
116.87540	0.6
120.99567	0.7
121.06503	0.7
123.00780	1.5
123.04415	1.1
127.00316	1.5
141.01860	7.3
151.00349	0.6
155.76346	0.6
171.10251	0.7
177.01932	1.8
179.03529	0.9
183.10265	2.2
185.00879	55.9
186.01234	2.4
191.01971	0.6
206.99362	1.0
258.43048	0.6
289.07303	1.1
369.11984	13.8
369.19116	0.9
370.12708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	4.4
58.30568	0.3
58.30932	0.4
59.01261	4.8
61.98710	0.6
67.01807	0.4
69.03339	100.0
69.55833	1.0
69.56242	1.9
70.03673	2.2
71.01269	2.4
72.99194	2.2
73.02831	1.2
79.01782	1.0
85.02836	1.8
89.02322	0.6
93.03342	0.6
95.01275	1.9
97.02847	18.7
99.00774	24.5
100.01112	0.6
101.02333	0.8
102.98499	1.2
109.02856	0.4
113.02350	1.0
120.99550	0.6
123.00820	1.2
135.01128	0.5
137.02362	0.9
141.01860	8.8
147.76585	0.4
162.34001	0.5
162.37749	0.4
164.33276	0.4
171.10228	1.6
175.03917	0.6
183.10188	0.9
185.00873	57.4
186.01167	2.0
223.02744	1.6
319.84427	0.5
369.11905	18.9
369.15634	1.5
370.12292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1347
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
50.35059	0.7
50.71904	0.8
59.01254	8.9
69.03344	0.9
71.56406	1.5
71.56820	0.9
76.56615	0.8
81.03330	1.8
83.01275	5.7
85.02820	1.5
93.03363	0.9
95.01263	1.4
95.04932	1.9
97.02844	7.5
108.02063	2.0
109.02853	35.7
110.03229	1.0
119.08586	1.2
121.02864	3.7
121.06492	2.8
122.03639	3.5
123.04436	18.9
125.02363	2.3
129.09070	0.8
135.04448	2.2
137.09636	1.6
138.96266	0.7
139.03918	3.6
145.02876	1.4
146.03581	1.8
147.04469	1.0
149.02394	8.5
149.74158	0.9
151.03923	10.1
159.04410	2.7
159.82912	0.8
161.02409	5.2
161.06032	7.2
161.09647	3.3
162.03136	2.8
163.03923	2.6
163.07574	3.2
163.11218	1.0
165.01973	1.1
173.06001	1.2
175.03938	2.5
175.07513	0.7
175.11191	1.3
176.01041	0.9
177.01768	0.9
177.05478	1.9
187.04010	2.4
188.04750	1.8
189.01865	1.5
189.05507	2.9
201.05519	0.9
203.03406	1.7
203.07085	6.1
205.05061	12.0
205.08693	9.5
206.36789	0.8
207.10263	5.6
213.05542	1.9
217.08682	5.3
218.09285	1.0
219.10271	2.9
224.35706	0.8
231.03064	1.0
231.06659	1.6
239.07050	1.2
243.12515	1.0
244.07379	1.5
245.08167	4.2
246.08954	2.8
247.06198	6.8
247.09642	1.9
259.09714	3.9
283.13464	2.5
301.14590	2.0
307.13672	1.1
325.14481	10.2
326.14819	1.0
345.67676	0.8
366.52823	0.8
369.13480	100.0
370.13763	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	370.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35091	0.5
54.29102	0.4
55.13639	0.5
58.08502	0.4
59.01262	1.9
61.98715	100.0
65.91336	0.4
69.87395	2.3
121.02899	0.7
202.31589	0.5
204.01494	0.5
214.82292	0.5
321.35236	0.5
331.21643	0.5
346.48364	0.5
352.96045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.0
57.03337	5.6
59.01261	4.7
68.99707	0.8
69.88214	2.0
71.01263	5.6
72.99198	1.8
73.02840	0.5
75.00766	1.7
83.01264	1.2
84.02061	1.6
85.02840	54.1
86.03191	1.2
87.00765	1.5
89.02333	2.6
95.85381	0.4
98.20513	0.4
101.02335	0.5
103.00262	1.2
111.00768	2.7
115.00308	0.9
117.01809	0.5
121.02854	1.1
129.01859	5.3
133.01350	4.1
134.03664	0.6
135.04460	3.0
147.02919	4.3
173.00896	1.3
179.03456	1.3
181.05031	0.7
191.01939	22.2
192.02228	0.7
193.05031	0.8
209.03012	100.0
210.03372	2.8
271.74112	0.4
371.05994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03337	6.9
59.01260	6.9
70.74491	1.4
71.01266	8.6
72.99188	1.9
73.02817	0.6
75.00761	2.7
76.99220	0.5
83.01280	1.9
84.02054	1.5
85.02837	57.0
86.03176	1.4
87.00773	1.8
89.02318	3.3
89.93318	0.4
93.03345	0.6
101.02337	0.8
103.00309	1.1
111.00794	2.7
114.70165	0.4
115.00260	0.8
117.01831	2.5
119.04965	0.9
121.02858	6.7
129.01837	4.8
133.01341	4.2
135.04434	4.6
137.02403	0.7
147.02931	4.3
148.06917	0.4
152.01022	0.8
173.00865	1.2
173.04448	0.6
179.03458	1.7
181.05034	3.6
189.04047	0.5
191.01942	22.2
191.05550	1.1
192.02385	0.7
207.99979	0.5
209.03009	100.0
210.03363	3.9
216.98862	0.4
237.81421	0.4
300.90659	0.5
335.01859	0.5
362.53940	0.6
371.06204	1.8
371.10287	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	371.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03339	4.1
59.01256	4.6
68.99708	0.8
69.81075	1.3
69.81487	1.0
71.01265	4.2
72.99184	1.2
75.00748	1.1
83.01274	1.2
83.52183	0.5
84.02066	1.3
84.50520	0.4
85.02839	44.8
86.03177	0.8
86.08154	0.4
87.00746	1.1
89.02344	2.2
98.19846	0.4
101.02372	0.4
103.00262	0.6
111.00784	2.1
111.05053	0.4
121.02868	0.8
129.01848	4.9
133.01323	2.8
135.04439	2.6
147.02907	4.9
161.79346	0.5
173.00856	1.5
179.03482	1.7
181.05139	0.6
191.01936	20.7
209.03006	100.0
210.03374	3.0
222.76956	0.4
371.06107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1356
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.10803	0.2
57.03331	0.3
59.01267	1.6
63.17500	0.1
65.00198	0.7
69.03341	0.1
69.70732	0.9
71.01283	0.6
72.99202	0.3
73.02831	0.2
75.78574	0.1
81.03349	3.8
82.03658	0.2
83.01266	0.9
85.02854	0.6
89.02347	0.4
92.07437	0.1
95.01309	0.2
96.81499	0.1
96.95930	0.2
97.06496	0.1
98.19827	0.3
99.08052	0.6
101.02354	0.2
101.05982	0.6
106.55029	0.1
107.01292	0.6
119.03423	0.2
119.70341	0.1
121.02804	0.1
121.06484	0.2
123.08073	2.1
124.01575	0.3
125.02366	4.8
125.06002	4.4
126.06362	0.2
131.03419	0.6
136.05231	0.6
137.05946	0.3
141.09166	0.4
147.08095	1.0
149.02338	0.3
149.04475	1.3
149.05902	0.1
151.00314	1.4
152.00992	0.4
161.04533	0.2
165.09166	22.0
166.09471	1.3
167.03293	0.1
167.07085	0.3
178.99800	0.4
191.07109	1.8
196.02690	0.2
205.08690	0.4
209.08185	100.0
210.08516	5.4
233.08257	0.4
251.09331	1.0
269.06967	0.2
283.13495	0.2
298.04199	0.2
305.04996	0.4
305.55240	0.2
344.02521	0.2
353.13895	0.2
356.63095	0.2
371.13712	1.2
372.01642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2081
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.97112	0.4
55.01772	6.0
55.12822	0.4
57.03334	7.3
58.00482	2.9
58.99490	2.7
59.01264	47.2
60.01610	0.5
61.78584	0.5
65.00193	0.5
67.01773	0.4
68.22402	0.4
68.99750	0.5
69.03343	3.6
69.58616	3.5
71.01270	100.0
72.01617	1.7
72.99197	4.8
73.02834	29.0
74.03133	0.5
74.18494	0.5
74.98991	1.1
75.00768	2.8
81.03340	0.8
83.01276	15.7
85.02843	45.1
85.99998	1.2
86.03158	1.0
87.00779	4.2
89.02337	22.4
95.01283	6.5
96.95931	0.8
97.02859	2.7
99.00168	1.0
99.00778	15.2
101.02345	78.4
102.02669	1.3
102.98502	18.9
102.99188	1.1
111.00797	1.2
111.90183	0.5
113.02357	42.1
114.02634	0.9
117.01831	0.6
119.03407	6.8
120.99573	1.1
125.02354	3.7
129.01848	1.8
129.09097	0.8
131.03416	1.7
135.02908	1.9
135.04463	1.0
136.23671	0.4
137.09618	1.4
143.03430	6.0
149.04512	0.5
149.09697	0.8
151.00311	0.8
152.01054	0.6
159.02942	11.3
159.04256	0.5
161.04500	55.2
162.04822	2.3
163.00630	1.5
165.12833	0.6
177.02158	0.7
179.03580	0.5
179.05586	1.7
185.00848	1.1
185.11690	0.6
191.01968	0.7
205.03484	3.0
209.03023	2.1
209.15450	11.0
210.15761	0.7
217.61713	0.5
220.07382	0.6
233.15558	0.6
298.08383	0.7
311.09387	0.7
341.10254	2.1
344.02356	1.3
356.12744	1.4
371.15970	5.1
371.20770	62.8
371.66397	0.6
372.01953	1.2
372.16354	1.1
372.21112	7.8
377.51968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01464	0.8
59.01258	1.3
61.98714	100.0
70.85990	1.9
74.87375	0.8
90.49790	0.7
267.66928	0.8
279.12466	0.7
318.29858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68473	0.5
54.19812	0.6
59.01271	2.0
61.98715	100.0
69.36996	3.8
69.37406	1.2
71.70995	0.5
98.20575	1.3
98.94544	0.6
113.94714	0.5
127.51785	0.6
139.51251	0.6
146.94614	0.6
206.69310	0.6
213.66174	0.6
282.40637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51168	0.6
57.08947	0.7
58.74037	0.7
59.01252	4.1
61.98715	100.0
63.15075	0.6
69.41730	0.7
76.46382	0.9
90.88222	0.7
220.45444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	16.0
61.98715	100.0
62.48795	1.5
70.83688	1.8
71.24995	3.4
109.04585	1.6
149.41650	1.5
168.00591	1.4
188.14738	1.6
210.37386	1.7
373.45395	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	372.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	16.0
61.98715	100.0
62.48795	1.5
70.83688	1.8
71.24995	3.4
109.04585	1.6
149.41650	1.5
168.00591	1.4
188.14738	1.6
210.37386	1.7
373.45395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.5
55.40658	1.2
57.03315	2.9
57.33402	1.3
58.00511	1.7
59.00960	1.7
59.01262	31.9
62.64645	1.4
69.03345	1.9
69.48545	10.5
71.01270	24.4
72.99188	3.1
73.02454	1.2
73.02825	7.1
74.98992	1.2
75.00743	3.4
78.99570	1.2
83.01279	5.9
83.02390	13.4
84.00787	4.1
84.01949	3.1
85.02840	12.2
86.00008	1.7
87.00760	4.6
89.02340	8.7
95.01260	1.7
97.02867	2.2
98.20538	1.9
99.00762	5.7
100.46017	1.3
101.02344	22.9
109.02847	2.6
111.00780	1.8
113.02345	8.4
119.03383	3.6
123.04449	3.2
125.02363	4.5
127.96416	1.3
135.02921	2.2
135.04420	4.1
135.22740	1.5
137.02394	4.7
139.00334	1.6
139.90886	1.2
146.04523	1.9
149.02336	2.0
149.05962	2.3
150.03163	1.9
151.03951	3.3
153.01776	2.7
155.73705	1.4
161.02377	3.6
161.04572	2.7
163.03929	3.4
165.01862	1.7
165.05411	1.7
167.03481	8.0
177.01906	3.2
180.00592	1.5
181.05013	18.7
193.05019	2.1
195.02927	2.4
196.07353	19.0
196.84630	1.4
197.07925	3.4
205.04968	1.4
211.06255	3.4
211.09743	35.6
212.10178	2.0
225.78960	1.5
277.03656	1.9
299.62094	1.6
329.11578	1.4
337.05774	5.3
358.12726	6.0
373.15106	100.0
374.15536	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	373.1509
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.01769	3.3
57.03333	2.7
58.00470	1.9
59.01262	34.0
62.34905	0.5
68.10355	0.5
69.03342	1.0
69.87306	2.7
71.01266	30.9
72.01611	0.6
72.99189	3.6
73.02834	8.5
75.00744	1.3
83.01278	8.3
83.02390	8.4
84.00781	2.4
84.01955	0.7
85.02831	14.3
86.00002	1.3
87.00761	3.6
89.02337	9.3
95.01289	2.3
97.02842	1.1
99.00782	4.0
101.02341	27.0
109.02831	1.4
111.00795	1.8
113.02352	10.6
115.00314	1.0
119.03416	2.5
119.04950	0.8
123.04420	0.7
125.02373	2.4
135.04442	2.5
137.02367	4.9
138.03146	1.1
139.00296	0.9
141.01846	1.4
143.03487	0.5
146.04486	0.8
147.04385	0.7
149.06013	1.8
150.03149	2.2
151.00389	0.7
151.03940	2.9
152.04671	1.2
153.01826	0.9
153.05533	0.7
159.02934	1.5
160.48714	0.6
160.77791	0.6
161.02377	1.7
161.04494	2.1
161.05927	0.8
163.03966	3.8
164.04710	1.4
165.05484	2.2
167.03438	0.7
175.02458	1.1
177.01871	1.5
178.02672	0.8
178.06267	1.8
179.03354	0.8
179.05646	0.7
181.03406	1.1
181.05023	20.9
182.05644	2.5
193.05025	1.5
196.07381	26.2
197.07964	1.7
205.05125	0.6
210.05301	0.8
211.09738	40.2
212.10042	2.9
225.07716	0.9
277.03503	0.8
278.37500	0.7
281.10223	0.6
289.07108	0.8
337.05658	2.2
358.12854	6.1
373.15076	100.0
374.15439	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1697
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
56.29671	0.4
57.72488	0.4
59.01259	1.5
63.96123	39.5
64.96925	0.8
68.82340	0.5
69.03339	0.5
69.68902	0.4
69.78071	0.9
69.78478	1.9
79.95623	100.0
80.96405	10.1
93.97105	0.6
96.95900	6.8
106.92432	0.4
108.73350	0.4
119.98793	1.1
129.23041	0.5
132.99574	3.9
171.10233	0.9
173.06343	1.4
181.12263	0.6
183.13869	18.1
184.14195	0.7
189.05899	5.9
195.13878	3.3
197.11572	0.4
201.11320	2.4
223.13458	1.6
245.08501	3.1
247.10092	1.3
253.33752	0.4
263.09674	4.2
275.20291	2.7
291.19727	2.5
293.21286	27.2
294.21652	2.3
338.48343	0.5
355.15887	6.0
356.15952	0.5
373.16953	43.0
374.17300	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	373.1875
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01766	1.4
55.40850	0.8
57.03321	2.0
58.00483	2.2
59.01265	100.0
59.83654	0.9
60.12346	0.8
68.54836	0.9
69.32816	10.1
71.01270	55.6
71.38532	1.1
72.99197	5.3
73.02840	1.3
77.70602	1.0
82.93282	1.0
83.01283	3.0
85.02846	11.2
87.00767	2.3
89.02335	66.0
95.01289	3.9
100.48944	0.9
101.02346	37.2
101.03014	1.8
103.85498	0.8
113.01628	1.8
113.02357	22.9
119.03415	36.8
120.08318	1.0
131.03407	2.7
133.63519	1.0
135.98288	1.6
143.03441	4.3
149.04512	2.4
151.00372	1.1
152.66605	1.0
161.04480	2.2
179.05614	5.5
193.12334	8.2
202.19658	1.1
313.10855	1.3
358.58939	1.1
373.18747	54.2
374.19116	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	373.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66506	0.4
59.01266	14.0
68.91648	0.4
70.62675	0.4
71.07063	1.0
92.11635	0.4
93.03360	1.8
110.02882	0.4
141.09169	0.4
148.08856	1.7
150.10426	1.0
151.11208	0.7
161.91747	0.4
163.11249	0.7
165.12802	22.7
166.13132	1.6
175.11243	0.5
176.12033	0.7
177.12755	0.6
179.14268	0.5
191.14365	0.5
217.16138	0.5
234.85280	0.4
244.10855	4.0
247.20683	12.5
248.21019	1.5
273.18658	6.2
274.19083	0.8
291.19727	100.0
292.20090	10.4
313.17938	14.8
314.18237	1.6
373.20020	18.5
374.20544	1.8
386.77377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83146	0.9
57.03318	2.6
59.01268	21.7
71.25134	1.9
93.06988	0.9
95.04948	1.2
95.50874	0.9
95.53351	0.9
97.06494	0.8
121.10135	15.8
123.08090	1.0
125.09631	7.1
147.08095	1.4
155.51555	0.9
161.09726	1.0
168.05714	0.8
185.11816	12.2
189.98213	1.0
197.11754	3.4
207.09978	3.4
227.17790	1.1
245.19087	7.6
246.19580	1.1
247.20757	1.0
273.18634	1.1
291.19730	69.4
292.20029	7.8
307.38132	0.9
311.16431	1.9
313.17920	100.0
314.18243	11.5
326.39667	1.1
373.19473	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2603
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03347	1.7
59.01259	4.4
61.98701	0.8
65.71747	0.3
69.03356	0.4
69.31357	1.9
69.31783	1.4
71.01273	1.2
73.02823	0.7
85.02834	0.8
89.02337	0.6
95.04934	0.3
101.02299	0.6
101.10770	0.4
109.06559	0.4
111.08028	0.6
113.02324	0.5
119.03452	0.5
123.08067	1.2
125.09618	2.8
125.97879	0.4
127.11182	1.7
137.09601	1.5
141.09081	0.4
143.10744	0.4
143.54364	0.3
153.09132	0.6
155.10707	2.2
159.40666	0.3
169.12227	0.3
171.10210	9.4
172.10640	0.5
201.15002	0.5
213.08885	0.3
229.14458	1.0
230.15167	0.7
327.21790	0.7
355.24988	1.1
356.25278	0.4
371.24698	1.5
373.25989	100.0
374.26349	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	374.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00823	0.7
56.61524	0.7
57.84731	0.7
58.34320	0.7
59.01263	7.6
61.98716	100.0
67.71625	0.8
69.26160	8.2
91.07104	0.7
98.14751	0.7
98.20612	1.6
101.41728	0.7
112.86806	0.6
164.01247	0.8
209.64479	0.7
217.00250	4.8
284.08545	0.8
289.18216	1.0
293.21042	0.9
307.19290	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07292	0.2
59.01259	1.8
62.45535	0.2
63.96122	0.3
70.12401	0.4
70.12799	0.9
71.01260	0.5
72.99204	0.4
73.02805	0.2
74.98993	0.5
75.00773	0.4
78.80018	0.2
79.26138	0.2
79.95618	6.9
80.96396	0.5
81.43009	0.2
85.02857	0.3
89.02335	0.3
93.03373	0.4
96.95929	0.5
107.04920	0.9
113.02351	0.2
119.04938	100.0
120.05268	4.3
131.07057	0.5
135.04439	14.3
135.98247	0.8
136.04837	0.6
136.89557	0.2
136.99091	0.3
137.02428	0.2
163.03951	6.4
164.04314	0.3
199.00676	36.7
200.01016	1.8
202.73615	0.2
215.00179	20.3
216.00449	0.9
242.99724	4.4
257.13031	0.3
287.16943	0.3
300.97195	0.2
315.04977	0.4
343.04285	0.3
375.07605	27.8
375.27658	1.6
376.07932	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	375.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98198	0.5
51.32223	0.5
53.98653	0.5
59.01262	9.0
70.75591	2.0
71.01272	7.1
72.99200	1.6
73.02837	4.4
75.00761	13.8
78.35460	0.6
83.01301	0.6
85.02836	2.6
87.00761	2.5
89.02328	4.5
95.01266	0.8
99.00769	1.0
101.02350	2.3
109.02879	1.1
113.02337	2.4
117.01853	3.1
119.03441	1.0
120.99552	0.8
125.02368	1.4
135.02922	36.8
136.03241	1.0
159.04433	1.0
160.05360	0.8
161.04512	1.1
163.03918	1.2
171.04483	1.5
172.05275	2.3
174.03157	2.0
181.06544	0.7
183.04495	1.0
184.05241	7.3
185.06041	4.7
185.09581	1.1
186.06618	0.6
187.04001	11.3
188.04552	1.1
195.08284	1.0
195.10254	2.4
196.05327	1.0
197.06046	11.5
198.06859	6.1
199.07492	0.8
200.04782	1.3
201.05568	1.0
206.00476	1.4
211.03951	0.7
211.07616	1.6
212.08405	0.7
213.09213	61.1
214.09531	4.2
215.03410	0.8
221.02809	1.0
227.10664	0.7
229.05037	1.3
229.12192	0.7
230.00430	0.9
231.10280	30.4
232.10599	2.6
245.02644	1.2
253.60321	0.6
257.08228	100.0
258.08575	8.7
283.02560	1.8
285.04086	0.8
297.04062	0.7
299.10349	1.8
316.00418	0.6
331.02756	0.8
331.11829	0.7
343.09302	0.9
375.01862	2.6
375.11136	3.3
375.16660	15.3
375.21039	1.1
376.17331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
57.03333	2.0
58.00481	1.5
59.01267	28.1
61.98730	0.5
65.73145	0.5
71.01273	32.7
71.56876	0.8
71.57283	0.6
72.01572	0.6
72.99194	2.6
73.02840	5.7
75.00766	5.2
83.01283	3.9
85.00574	0.5
85.02850	11.7
85.90760	0.5
87.00764	1.4
89.02339	15.2
95.01308	2.5
96.95936	0.8
99.00757	3.1
101.02352	16.6
102.02697	0.8
113.02359	13.0
119.03423	5.1
120.96738	0.5
120.99547	0.9
125.02382	0.8
133.87061	0.5
135.02910	8.0
135.08083	1.2
139.11229	1.6
145.51758	0.5
149.04510	0.5
151.11223	4.4
152.01085	0.5
159.02971	1.2
161.04498	3.6
184.05350	1.3
185.06032	0.6
187.03996	2.1
195.10251	14.6
196.10641	0.8
197.06067	2.2
198.06786	1.1
213.09210	14.7
213.11328	5.2
214.01430	0.6
214.09570	1.1
229.04994	0.6
231.10289	6.7
245.02779	0.6
252.06841	0.5
257.08231	26.0
258.08548	2.2
283.02643	1.2
299.10431	1.6
331.02835	0.6
375.16684	100.0
376.17032	8.7
392.27319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.2
57.03329	1.5
58.00480	5.7
59.01265	100.0
60.01605	1.4
69.03358	1.3
71.01270	59.3
71.04909	2.6
71.57709	1.3
72.01603	0.8
72.99200	6.6
73.02840	3.0
74.77679	0.7
75.00766	1.9
83.01270	4.4
83.04905	1.6
85.02842	11.4
87.00787	3.2
89.02338	60.8
90.02696	1.1
93.03366	0.9
95.01286	5.5
95.04928	5.2
95.90823	0.7
96.95917	1.7
97.02807	0.9
97.06499	3.1
99.00771	1.0
101.02346	31.8
107.01301	1.1
107.04921	7.2
113.02357	19.9
114.02647	0.8
115.07571	5.8
119.03414	24.6
120.99589	1.0
121.02967	0.7
123.08097	0.8
125.02390	2.3
125.09643	1.0
131.03416	2.3
134.03716	1.3
135.02937	2.3
135.04419	1.2
136.05237	2.0
137.02367	0.9
139.11246	3.7
143.03479	3.3
149.04495	1.5
149.09666	2.5
151.00351	3.4
151.11224	54.3
152.11575	2.0
153.12793	1.6
161.02347	0.7
161.04512	3.2
164.08398	3.2
167.10687	2.6
167.14333	1.2
169.12282	3.2
175.11337	0.9
175.20699	0.7
177.09158	9.4
178.99821	2.0
179.05577	5.4
181.12245	0.8
185.11774	3.5
187.03958	0.7
193.01379	7.3
193.12326	6.1
195.10245	94.7
196.10573	5.0
197.11742	0.9
198.93800	0.7
211.13400	4.3
213.09187	4.5
213.11311	19.3
214.11661	1.2
231.10260	4.8
255.12366	1.2
257.08243	12.6
279.02811	1.1
302.02481	0.9
351.01602	1.2
375.05655	1.8
375.11853	1.0
375.16534	6.1
393.02542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.6
57.03337	3.7
58.00473	2.0
59.01265	49.6
68.99718	0.6
69.03341	0.6
70.94102	1.0
71.01269	42.4
72.99193	4.7
73.02836	9.2
74.98981	1.0
75.00766	2.8
76.23681	0.5
83.01281	7.6
85.02843	16.7
86.03205	0.9
87.00769	3.0
89.02336	29.0
95.01282	2.7
97.06494	0.5
97.31216	0.5
99.00776	3.5
99.04422	0.8
99.08035	0.6
101.02345	36.2
102.02699	0.7
109.02835	0.8
111.00826	0.9
111.22077	0.6
113.02359	15.4
119.03420	14.1
121.02853	0.7
122.03642	1.0
123.04462	1.7
124.01651	0.6
125.02408	2.7
129.01843	0.9
131.03418	1.6
135.04457	0.9
137.02336	0.9
143.03444	2.7
149.04524	1.6
151.00276	0.7
151.03932	1.4
152.07060	0.8
153.09235	0.7
159.02885	1.5
161.02417	1.3
161.04517	5.1
169.12331	2.3
171.14218	0.5
171.66396	0.6
177.01955	1.0
177.09140	7.5
178.99858	1.2
179.05594	9.3
179.07123	0.7
189.17966	0.6
193.01369	0.7
195.10280	1.4
197.18750	0.6
212.08281	0.9
213.11417	1.0
234.37502	0.6
237.71896	0.6
240.06624	0.6
241.07315	1.0
255.08972	5.4
259.07611	0.6
284.05878	0.6
302.04373	1.0
331.17722	1.3
337.05804	0.9
357.15643	21.0
358.16058	2.1
375.07025	3.1
375.16690	100.0
376.16998	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	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	1.9
71.58372	1.5
74.74735	1.0
74.98976	1.4
89.64095	0.9
93.00050	2.5
95.31879	1.0
115.41306	1.1
134.08833	1.1
134.53860	1.2
159.08432	9.3
161.06381	2.2
165.42612	1.1
166.38618	1.3
207.78087	1.2
209.01230	1.3
277.07584	2.3
289.07758	2.1
291.09158	83.0
292.09283	10.5
309.10193	1.5
345.27527	1.1
357.13611	1.2
359.15427	100.0
360.15585	14.6
375.18539	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42370	0.4
71.15453	0.8
71.15800	0.8
74.98985	1.6
75.35284	0.4
75.96119	0.5
80.61283	0.5
84.14306	0.4
93.00042	1.2
95.31167	0.4
149.00903	0.7
159.08412	12.3
160.08699	0.4
161.06357	3.2
161.84467	0.4
192.98070	0.7
209.01260	1.9
217.07045	0.9
225.00757	0.5
239.46895	0.4
240.88490	0.5
266.57443	0.4
275.06006	0.8
277.07559	2.2
289.07684	1.8
291.09164	98.8
292.09348	11.4
309.10193	2.5
357.13910	2.4
359.15421	100.0
360.15598	16.0
375.18579	7.9
376.18729	1.2
377.16440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	27.4
71.57015	1.4
90.41137	0.8
92.85407	0.8
95.04925	30.5
95.05524	1.9
96.05231	1.0
99.92488	1.5
111.08092	1.1
122.18264	0.9
140.52763	0.8
150.02905	1.0
174.99390	1.1
195.13876	9.0
217.00319	4.2
223.13416	8.6
228.13724	1.3
246.12335	12.1
249.06198	1.1
275.20187	6.1
278.11411	78.1
279.11725	3.4
293.21286	100.0
293.77771	1.1
294.21591	8.4
306.13809	1.3
315.16077	1.8
315.19476	22.7
316.19830	2.7
323.08975	0.9
338.12253	7.7
375.21506	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	375.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	22.4
59.13857	0.7
71.56635	0.7
71.57030	1.1
95.04920	29.8
99.92499	1.6
121.10104	0.9
147.07985	0.8
171.10188	1.5
174.99245	0.7
179.14407	1.6
195.13867	10.0
196.14626	0.9
205.16016	0.8
211.13193	0.9
217.00273	2.1
219.05489	0.9
223.13383	9.8
228.13715	0.8
246.12364	12.7
247.12617	0.8
256.13214	1.3
265.21664	0.9
269.87567	0.7
275.20166	6.0
278.11398	82.3
279.11722	4.7
293.21283	100.0
294.21591	10.5
303.23300	1.2
315.19424	22.7
316.19794	2.0
338.12195	6.2
346.13501	0.7
357.24670	0.7
358.12421	1.1
375.21490	7.4
376.21457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10843	0.4
59.01257	1.8
67.58318	0.4
70.44054	1.4
71.01265	0.7
73.02837	0.5
77.10788	0.4
83.54855	0.4
85.02833	0.4
90.46674	0.4
96.95904	0.5
101.02323	0.5
102.12057	0.4
107.04946	0.7
113.02325	0.4
119.03422	0.4
123.04437	0.6
134.03673	1.3
135.04443	100.0
136.04788	4.3
151.03958	1.2
179.03459	7.9
215.09178	0.6
297.09879	6.9
298.10361	0.5
300.94150	0.5
313.09555	0.4
341.08844	25.6
342.09201	1.5
377.06296	4.9
377.14618	0.6
378.07007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	16.6
70.22488	19.1
70.22880	19.3
71.01282	25.0
87.26592	9.2
89.02335	21.2
89.54124	9.9
98.19850	10.4
117.81068	11.0
161.04578	12.2
179.05640	21.6
220.85873	11.3
223.46193	9.9
300.91687	10.5
341.10953	100.0
377.08719	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	377.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43526	0.6
57.03329	0.9
59.01261	17.7
61.98714	1.2
65.98225	0.7
71.01242	0.8
71.56890	1.0
83.04892	0.8
85.02802	0.8
95.04939	6.6
99.92474	1.1
101.02342	0.7
113.09623	2.5
117.09303	0.6
123.24102	0.6
129.15057	0.7
148.51819	0.5
163.75206	0.6
171.10201	0.7
179.05551	0.8
179.14505	0.6
195.13887	19.1
196.14214	1.3
217.12029	1.1
233.47075	0.9
249.11116	1.2
251.23822	0.7
254.02864	0.7
277.21774	17.4
278.11404	6.0
278.22128	1.7
279.12155	0.7
281.13785	0.7
282.38498	0.7
295.22827	100.0
296.23141	9.3
315.19412	1.0
317.21014	48.9
318.21405	6.1
338.12152	1.0
341.11063	1.7
359.26074	0.7
361.19919	6.5
362.20325	1.0
377.08728	1.7
377.22830	11.6
378.23019	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	379.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.8
57.03337	100.0
58.03670	2.1
59.01263	79.1
69.03347	0.9
71.01269	15.4
71.01665	0.9
71.55869	0.9
72.99194	1.2
73.02837	6.6
75.00768	2.3
78.52573	0.6
81.03370	1.8
83.01264	3.9
85.02843	8.8
87.00777	1.0
89.02337	3.7
95.01304	0.8
96.95926	1.1
97.02832	1.0
99.00809	2.7
99.04418	70.2
100.04773	1.6
101.02343	32.5
111.00769	0.8
111.04475	0.7
113.02371	6.4
119.03430	0.8
119.04884	1.0
125.02367	19.6
125.03250	1.1
135.02904	5.4
135.04504	1.4
143.03490	2.1
145.02846	0.9
159.02927	1.2
161.04515	6.4
173.04550	1.9
179.03416	1.3
199.09828	0.6
215.12756	0.7
217.10699	0.7
217.14462	0.8
233.06540	3.4
235.11882	31.0
236.12323	1.8
236.46410	0.6
277.12930	3.0
298.06265	0.8
317.16245	1.6
319.08505	0.7
379.15720	5.8
379.20108	2.8
380.16882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24445	0.4
55.01773	1.3
57.03336	100.0
58.03671	1.5
59.01263	84.3
60.01611	0.8
63.44742	0.3
69.03344	15.7
69.63310	2.1
71.01269	13.7
71.01671	0.6
72.99205	1.5
73.02837	5.7
75.00773	1.1
81.03355	1.3
83.01276	4.2
85.02844	7.9
86.00020	0.4
87.00768	1.1
89.02347	1.9
95.01295	1.0
97.02836	2.9
99.00783	6.9
99.04415	79.7
100.04746	1.8
101.02345	37.3
113.02360	7.9
113.03144	0.3
119.03384	0.6
125.02366	22.7
129.01854	0.7
134.03642	0.6
135.02931	2.1
135.04483	0.5
141.01846	0.9
143.03413	2.7
151.00278	0.4
159.02919	1.5
161.04510	6.9
179.03302	0.5
185.00899	7.9
193.05040	0.7
209.11758	0.7
235.11884	36.8
236.12231	1.6
239.36272	0.4
277.12930	4.2
298.06223	0.4
317.16068	1.8
379.06720	0.7
379.15854	6.1
379.19827	1.4
380.16348	1.0
397.41281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41539	0.6
59.01261	100.0
59.62194	0.6
60.01584	1.0
60.63831	0.7
65.71887	0.6
69.37420	5.7
69.96404	0.5
87.68401	0.6
93.76279	0.5
102.56507	0.5
106.68053	0.6
117.08330	0.6
129.86726	0.5
162.33571	0.5
213.32516	0.6
217.00334	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	381.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01589	1.2
61.98724	1.4
65.42938	0.7
69.63792	4.4
71.01279	3.7
72.99197	0.9
73.02852	2.0
75.00774	0.9
79.27324	0.6
82.33644	0.7
83.01268	1.2
85.02853	2.1
87.00780	1.1
96.95903	0.8
99.00735	1.1
101.02348	3.4
109.02876	0.7
113.02376	2.1
125.02388	0.9
135.02954	2.2
135.04478	0.8
146.03690	0.6
151.00322	1.0
152.99570	2.0
156.77901	0.7
161.04567	2.3
291.03906	0.7
321.19254	12.0
342.69733	0.7
381.07919	1.1
381.15964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82668	0.5
53.75076	0.6
54.89617	0.6
56.95000	0.5
59.01257	3.8
61.54770	0.5
71.23811	1.0
71.24197	0.6
78.95782	6.2
79.00688	0.6
93.58717	0.6
110.36251	0.6
137.06026	0.7
138.06918	0.7
149.06029	1.1
151.07599	1.2
152.98311	1.3
152.99513	13.7
163.73981	0.6
168.70187	0.6
170.05806	3.2
174.99164	1.0
181.12318	1.3
192.11598	0.9
193.90350	0.7
199.13315	2.7
204.96132	0.7
217.00366	3.6
235.20746	1.0
251.20177	2.1
277.18127	73.0
278.18500	7.2
279.19690	22.2
280.20026	1.6
295.19183	100.0
296.19540	9.4
306.18469	1.1
345.24155	0.7
363.25473	19.7
364.25867	2.1
381.03854	0.9
381.26517	7.3
382.26749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
59.01263	8.8
59.84344	0.6
61.98708	1.2
71.01264	2.6
71.55026	1.1
72.99187	1.2
73.02837	0.8
83.01217	0.8
85.02852	1.1
89.02335	2.0
96.95898	0.6
101.02337	2.5
103.30936	0.8
116.04974	63.4
117.03387	2.5
117.05303	2.0
119.03371	1.8
127.00296	0.9
128.04982	1.2
130.06543	3.0
134.03654	8.2
135.02881	0.8
135.04448	1.3
139.41605	0.7
149.02431	0.9
149.05995	1.1
158.06120	1.3
160.03983	100.0
161.02338	6.7
161.04324	4.7
165.65955	0.7
171.25517	0.6
179.03378	0.8
189.03986	2.0
193.01382	0.8
193.05045	10.1
195.57327	0.7
220.06125	0.8
223.06094	1.4
250.38483	0.6
287.73050	0.7
322.09390	28.2
323.09753	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	382.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01619	0.8
70.10452	2.2
87.00892	0.5
89.02368	0.7
101.02328	0.5
112.68043	0.5
322.27753	0.6
323.09985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71006	0.3
59.01266	14.1
69.24368	0.8
69.24709	4.0
71.01299	0.5
74.67750	0.3
85.02866	0.5
88.98680	0.4
98.20743	0.4
105.53915	0.3
117.03400	0.7
119.04942	0.5
123.04456	0.8
125.02415	0.5
133.02859	2.6
134.03641	0.6
135.04402	0.4
145.02901	0.5
149.02351	0.4
151.35504	0.4
161.02390	100.0
162.02747	3.8
163.03957	0.4
189.14996	0.4
191.05634	0.5
193.04955	0.8
262.66583	0.4
384.08420	0.4
384.79208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86074	1.0
59.01269	7.8
64.85098	0.9
67.01814	1.3
68.63573	0.9
68.99704	0.9
70.42421	1.2
70.42768	2.9
71.01265	2.1
72.99187	1.7
74.14950	0.9
75.00760	6.4
83.01277	3.1
84.02099	1.0
85.02852	2.4
87.48120	0.9
89.02332	1.1
89.03863	2.2
93.03360	2.1
96.21378	0.9
98.19910	1.0
99.00797	2.1
106.04102	1.3
109.02859	1.1
113.02367	1.3
117.01843	3.4
117.03371	11.6
117.05518	5.3
119.04947	36.9
120.05257	1.8
121.02865	1.7
124.23163	1.0
133.02890	1.9
134.03665	94.4
135.03012	1.5
135.04048	3.9
137.02362	2.7
139.03931	1.2
141.01915	1.2
145.02882	43.9
146.03226	2.6
149.06036	7.7
152.81798	0.9
159.03011	1.3
161.02353	1.2
161.04488	2.3
163.03955	32.2
164.04262	1.0
169.85062	0.9
175.03905	1.7
177.03993	1.9
178.02707	7.7
189.04018	17.0
193.05038	100.0
194.05373	5.2
207.05066	3.2
210.97121	1.0
221.04559	18.6
222.04773	1.1
237.07253	0.9
264.11288	0.9
265.07556	0.9
325.09323	1.4
325.26169	1.0
383.09872	15.5
384.09863	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	383.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24323	0.8
55.01783	1.0
57.03310	1.1
58.00466	1.1
59.01260	13.7
61.98719	1.2
68.67966	0.9
68.99692	1.4
71.01266	5.3
71.27326	2.1
72.99195	1.9
73.02822	1.4
83.01272	3.5
85.02848	1.7
89.02326	5.4
89.03878	2.3
96.95891	1.2
99.00770	2.9
101.02334	2.4
113.02336	2.5
115.00600	0.8
117.01852	80.0
117.03320	4.4
117.05450	3.4
118.02135	1.8
121.02798	0.8
125.02337	1.0
127.00255	2.6
133.02895	1.6
134.03658	100.0
135.02928	1.4
135.03972	2.6
137.02342	1.9
149.06001	4.4
150.98964	0.9
159.02919	1.4
160.01622	1.8
161.02338	1.1
161.04475	2.1
163.03920	1.1
168.85394	1.0
175.03981	1.7
178.02603	5.1
189.04001	11.3
193.05029	65.8
194.05325	3.0
207.05070	68.5
208.05374	1.9
211.35345	1.0
217.05087	1.0
221.08217	0.9
265.07199	4.4
277.10870	1.1
321.09857	4.0
323.17117	2.0
331.33484	0.9
383.09637	3.0
383.17786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01257	3.1
59.30714	0.3
61.66739	0.4
69.93020	2.1
71.01259	1.0
73.13124	0.5
83.04906	0.4
89.02352	0.6
91.03893	2.1
91.54006	0.4
97.02863	0.5
97.06492	1.7
97.31111	0.3
113.09628	1.9
115.07550	1.0
116.27495	0.3
125.05994	0.6
141.09145	0.9
151.11273	0.5
165.12764	2.9
167.10666	0.9
167.14386	1.9
181.12315	2.9
182.40947	0.4
183.13893	1.2
193.12291	1.3
193.15913	0.6
195.13858	2.4
211.13332	3.2
221.11957	0.4
221.15392	1.9
222.15915	0.5
229.14478	0.5
239.12926	0.7
240.13609	1.2
241.14548	0.6
245.19098	0.5
247.20700	4.1
263.20078	0.7
265.21747	0.6
273.18460	2.2
281.21201	1.5
291.19724	36.1
292.20016	2.8
309.20767	100.0
310.21112	8.2
314.17361	1.8
383.24390	5.5
384.24628	0.6
406.84607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89067	0.2
55.01774	1.8
57.03336	10.2
58.00484	0.3
59.01260	5.4
63.24136	0.2
66.69003	0.2
68.99697	1.0
71.01261	3.7
71.55169	0.4
72.99198	2.0
73.02826	0.4
75.00777	1.7
83.01273	2.4
84.02056	2.7
85.02842	100.0
86.03175	1.9
87.00779	0.8
89.02347	0.7
95.01284	0.3
99.00774	0.5
101.02336	1.0
103.00262	1.7
107.15648	0.2
111.00786	4.1
112.44960	0.2
115.00282	0.8
119.04921	1.2
120.57363	0.2
121.02888	0.9
122.03664	0.8
129.01865	9.2
133.01379	1.2
134.03664	3.7
135.02919	0.4
135.04472	1.0
137.02357	0.4
139.03915	0.4
140.41879	0.2
143.03430	0.3
145.01318	0.2
147.02930	13.5
147.41876	0.2
148.03264	0.4
149.02377	1.4
149.05997	0.4
160.01541	0.3
163.02592	0.4
163.03886	1.5
164.04692	0.9
173.00908	2.3
173.04501	0.3
175.03957	0.4
179.03471	0.6
179.07066	0.3
183.02003	0.2
191.01941	36.4
191.05603	0.9
192.02286	1.4
193.01411	0.5
193.05013	2.6
194.02092	0.6
199.07378	0.2
205.03587	0.3
209.03009	19.6
210.03316	0.7
211.06128	0.4
223.04437	3.9
223.06175	0.6
385.07895	1.0
385.12167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97172	0.7
55.01773	1.5
57.03039	1.0
57.03336	12.0
59.00312	0.7
59.01263	7.6
68.99705	1.4
71.01263	5.3
72.99197	2.5
75.00755	1.7
83.01273	3.2
84.02057	2.9
85.02841	100.0
86.03164	1.5
87.00787	2.5
87.55659	0.7
89.02358	1.7
101.02336	1.7
103.00269	2.3
111.00807	4.2
119.04936	3.0
129.01866	10.0
132.75929	0.7
134.03650	3.0
135.04439	2.1
143.33632	0.8
147.02931	15.3
149.02440	1.5
149.06010	0.7
151.47263	0.7
163.03951	3.8
173.00841	2.0
179.03511	1.3
191.01949	40.5
191.05621	1.7
192.02164	1.1
193.05023	1.9
194.02299	0.8
202.02562	0.8
209.03008	15.9
211.06001	1.1
214.53488	0.8
223.04521	6.5
223.06129	0.7
301.62122	0.8
385.11548	1.0
403.45163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23528	0.4
55.01766	1.9
57.03338	12.0
59.01264	6.7
63.22948	0.4
63.25860	0.5
68.99706	1.0
69.86807	2.1
71.01266	5.1
72.99200	3.1
73.02833	1.3
75.00764	2.5
83.01274	4.1
84.02053	2.8
85.02844	100.0
86.03197	2.3
87.00764	1.3
89.02338	1.3
99.00786	0.8
101.02353	1.1
103.00252	1.3
111.00789	4.9
115.00303	1.2
121.02891	0.5
123.04433	0.5
129.01877	8.0
133.01355	1.0
134.03667	5.6
135.04459	0.5
147.02940	12.5
149.02388	2.0
160.01620	0.6
164.03392	0.6
164.04718	2.6
173.00961	2.7
175.04016	1.0
176.33603	0.5
178.02704	0.5
179.03471	0.8
179.07101	1.0
189.01913	0.5
191.01956	39.4
192.02283	1.2
193.01508	0.4
193.05013	3.6
208.03709	1.1
209.03021	25.0
210.03429	0.5
223.04211	2.7
223.06511	2.5
240.47772	0.5
340.52264	0.5
385.07709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19341	0.7
55.01762	3.0
57.03333	11.7
59.01261	11.4
61.98714	4.0
67.88915	0.7
69.03320	2.1
69.63596	5.0
71.01268	11.1
72.99216	4.3
73.02831	1.2
75.00762	4.9
76.11771	0.7
83.01276	9.2
84.02059	3.3
84.02531	0.7
84.88630	0.8
85.02839	100.0
86.03171	2.0
86.40887	0.7
87.00741	0.9
89.02335	3.0
93.03350	3.2
96.95890	1.0
97.02838	0.8
98.19830	1.5
99.00789	3.1
101.02345	2.3
103.00247	2.2
109.02880	1.8
111.00784	9.1
115.00284	1.5
121.02876	5.4
123.04459	1.3
129.01845	9.8
133.01376	1.2
133.02876	2.9
134.03668	1.3
135.04437	11.9
137.02359	2.7
143.03452	1.6
145.01347	1.2
147.02921	13.4
149.02370	40.5
150.02740	1.4
152.01064	5.0
160.91959	0.8
161.02368	5.2
163.03935	6.8
164.04729	30.1
165.01810	1.4
169.05037	3.0
172.67014	0.8
173.00864	11.7
175.00308	1.9
179.03471	6.4
179.07072	11.8
185.00813	1.6
190.02725	5.2
191.01936	70.5
192.02289	2.0
193.01379	17.3
205.05058	8.3
208.03740	33.1
210.84081	0.7
223.04488	35.4
223.06157	85.0
224.06636	4.4
247.06104	1.4
250.01360	0.8
265.07071	1.0
272.20367	0.9
335.04077	1.3
353.05255	3.0
385.11453	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	385.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.9
57.03336	14.1
59.01261	7.1
68.53724	0.5
70.47355	1.4
70.47748	1.3
71.01270	3.8
72.20473	0.7
72.99202	1.6
73.02815	0.6
75.00766	1.8
83.01259	2.7
84.02057	2.1
85.02840	100.0
86.03162	1.9
87.00773	1.5
89.02342	1.1
93.03375	0.8
101.02341	0.7
103.00272	2.4
111.00791	3.9
115.00302	0.6
117.03345	0.6
123.04395	0.7
129.01010	0.8
129.01871	9.5
134.03680	3.6
135.04390	3.4
147.02928	14.9
148.03258	0.6
149.02382	1.6
149.06013	0.6
164.04747	1.1
173.00882	2.8
179.03447	1.8
191.01947	41.8
192.02307	1.3
193.05038	1.6
209.03024	13.2
223.04428	5.4
223.05865	1.0
223.06462	1.0
265.76437	0.7
335.55038	0.5
385.07870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1149
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.27558	0.3
57.03336	0.9
59.01262	2.5
59.63319	0.3
61.98713	2.1
69.03341	4.6
70.58335	1.1
71.01271	1.4
72.99186	1.0
75.00767	0.4
83.01292	0.7
84.65731	0.3
85.02840	7.0
85.75135	0.3
87.00752	0.5
89.02343	0.6
93.03362	0.9
96.95901	1.1
97.02859	1.1
99.00780	1.1
101.02335	0.4
105.47250	0.3
109.02875	0.8
111.00783	0.7
113.02332	0.5
121.02874	4.9
123.04404	0.8
124.01560	0.3
125.02363	0.7
129.01863	0.7
133.02884	0.6
133.06465	0.4
134.03654	0.7
135.04460	3.1
137.02373	1.3
139.00323	0.3
141.01886	0.5
143.03470	0.4
149.02376	34.0
150.02704	1.6
151.03873	0.8
152.01089	6.1
161.02368	0.6
163.03954	4.9
163.07506	0.4
164.04730	26.2
165.01900	1.9
165.05066	1.2
167.03409	0.9
169.05032	3.0
173.00883	0.4
175.00249	0.4
179.03474	0.9
179.05534	0.6
179.07080	9.7
180.04266	0.5
180.07376	0.4
185.00861	3.6
190.02664	1.2
191.01900	3.8
193.01390	15.0
193.05038	0.8
194.01801	0.6
195.02899	0.5
205.05087	1.6
206.99358	0.5
207.02908	0.4
208.03749	34.5
209.04160	2.0
209.06552	0.4
223.06129	100.0
224.06451	6.3
265.07288	0.5
312.29526	0.4
385.11563	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	385.1149
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.01761	3.8
57.03338	11.3
59.01264	14.4
61.98712	1.9
63.58966	1.2
65.00216	1.1
65.44593	1.0
69.03329	3.2
70.59391	4.1
71.01273	10.5
72.99191	3.9
73.02827	1.4
75.00750	5.3
79.01756	1.2
83.01274	7.6
84.02058	2.6
85.02844	85.6
86.03162	1.6
87.00803	1.7
89.02335	3.4
93.03362	34.4
94.03689	1.4
96.95916	1.6
97.02887	1.2
99.00764	3.2
101.02342	2.7
109.02837	2.4
111.00803	9.5
115.00292	1.2
117.01810	1.0
119.04884	1.2
121.02894	6.9
123.04375	2.9
125.02342	1.9
129.01852	9.2
133.01361	1.5
133.02841	3.1
134.03638	3.4
135.02913	2.3
135.04469	13.7
137.02374	52.4
138.02744	1.8
143.03424	2.1
147.02936	8.1
149.02382	43.8
149.04333	2.4
150.02721	1.8
152.01086	6.9
156.16618	1.1
160.22643	1.0
161.02364	3.4
163.03969	6.2
164.04742	37.7
165.01871	2.1
165.05138	1.2
167.03401	1.6
169.04994	3.6
173.00903	7.8
174.05772	1.1
178.02425	1.4
179.03445	7.0
179.07063	12.0
179.94125	1.0
185.00925	1.9
191.01942	59.6
192.02327	1.4
193.01387	21.3
193.05032	2.6
205.04912	1.4
208.03757	47.5
219.06425	1.2
223.04463	24.1
223.06116	100.0
224.06577	7.0
320.77689	1.1
332.58594	1.2
353.04840	1.6
365.39871	1.2
385.11484	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	385.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	12.4
59.01261	11.1
67.01759	1.4
69.03340	4.0
71.01276	9.9
71.55753	1.1
71.56200	1.1
72.51639	0.9
73.02810	1.5
75.00766	0.8
77.03839	1.6
81.03348	8.8
83.01278	11.5
83.04930	1.2
85.02832	5.3
89.02352	4.0
89.06983	0.7
93.03354	5.1
95.01281	3.4
95.04922	8.8
97.02853	8.1
97.06467	1.3
99.04409	5.5
101.02335	3.7
107.04922	3.6
107.59211	0.7
108.02062	2.5
109.02863	10.0
111.04402	1.8
113.02357	4.9
113.06059	0.9
119.03403	1.7
119.04938	1.2
121.02869	7.0
121.06488	1.4
122.03680	6.2
123.00787	2.8
123.04436	4.6
124.01620	3.9
125.02364	71.9
126.02706	1.4
131.04951	1.8
133.02902	1.3
133.10104	1.5
135.04456	4.2
135.11728	6.2
137.02371	100.0
138.03014	3.2
139.03946	4.2
146.02533	1.4
146.03653	19.0
147.04391	2.4
148.05174	1.1
149.02361	1.7
149.05997	3.5
150.03177	5.1
151.03947	6.1
152.01077	1.2
153.01878	1.0
154.02612	1.7
157.06470	1.4
158.03621	1.7
159.04442	7.1
159.08089	1.0
159.11732	1.3
159.82968	0.8
160.05247	1.0
161.02351	2.0
161.04619	0.9
161.05992	2.9
161.09637	5.1
162.03133	1.2
163.00294	2.5
163.03909	0.9
163.07610	1.0
164.01096	29.8
165.01880	79.7
166.02252	3.1
167.03442	41.8
167.04881	1.6
168.03769	1.6
171.07988	0.9
172.05264	8.0
173.02350	0.8
173.06029	16.2
174.01707	1.6
174.03151	10.9
174.06793	6.5
175.03986	5.4
175.07594	36.8
176.04739	9.1
176.07951	2.1
177.01888	12.9
177.09108	1.3
177.18898	0.8
179.03473	20.4
179.10727	38.1
180.03787	0.9
180.11053	1.4
181.05055	1.8
185.06006	2.5
186.06801	3.0
187.03992	5.1
187.07652	8.2
188.04695	2.5
188.08220	1.1
189.05495	2.8
189.09210	5.1
190.02664	5.3
190.06314	1.7
191.03455	2.0
191.07135	1.1
193.12317	2.0
197.06071	1.5
198.07022	1.0
199.03923	1.0
199.07611	3.4
200.04771	7.0
200.08182	1.0
201.05576	5.3
201.09207	12.3
202.06313	3.2
202.09499	1.4
203.07112	18.7
203.10818	5.9
204.04231	4.4
204.07645	1.7
205.08702	8.7
209.06029	1.2
210.06778	0.9
211.03983	2.1
211.07573	2.1
212.04718	3.1
213.05348	1.2
213.09160	3.7
215.07098	3.3
216.07863	2.2
217.05258	1.1
217.06746	1.6
217.08696	23.0
218.09091	1.9
219.10146	2.6
221.11835	2.1
223.07603	1.9
223.09744	20.0
224.04836	1.6
225.05530	5.0
226.06273	3.3
227.07088	3.4
228.04315	1.0
229.08698	32.6
230.09041	2.4
237.09181	1.9
239.07121	2.3
239.10762	3.4
240.07884	2.7
241.08723	4.7
243.10202	0.9
244.07480	2.4
245.96170	0.8
247.09796	11.3
248.10176	0.8
251.07170	2.8
252.07816	1.9
254.05746	2.6
254.09377	1.2
255.10265	3.9
257.08017	1.2
257.11868	3.8
265.08655	2.1
265.11072	1.5
266.09384	1.3
268.07443	3.2
269.08090	1.6
270.09058	1.9
273.11371	2.4
279.10187	1.9
280.11020	1.4
281.11850	8.3
283.09824	5.2
284.10245	1.2
288.06317	2.0
294.08984	4.8
295.09869	1.8
295.13272	1.3
297.11404	7.0
299.12946	8.9
300.13354	1.5
301.10794	2.0
320.06976	1.0
323.09113	1.8
323.12936	29.1
324.13309	3.9
325.10526	1.1
341.10281	2.5
341.14008	4.7
349.10651	4.0
367.11896	67.7
368.12134	6.8
385.12961	41.7
386.13412	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	385.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25452	1.4
57.03336	12.6
59.01265	25.4
69.03340	4.3
71.01252	6.7
71.94051	1.6
73.02850	2.3
81.03338	9.2
83.01272	12.6
83.04930	2.3
85.02840	5.6
87.18870	1.3
89.02352	3.5
93.03320	3.0
93.72305	1.5
95.01295	2.6
95.04907	8.2
97.02850	11.7
99.04388	5.1
101.02321	3.1
107.04922	3.8
108.02082	2.0
109.02868	8.5
111.04420	2.8
113.02361	6.9
121.02871	7.7
121.06509	1.9
122.03630	5.9
123.04405	2.4
124.01609	2.6
125.02360	73.9
131.04927	3.0
135.04428	3.3
135.11705	13.2
137.02370	100.0
138.02751	2.3
139.03899	3.6
146.03641	22.7
147.04382	2.2
148.05258	2.1
149.02380	1.8
149.05943	3.8
150.03177	6.8
151.03906	6.2
159.04460	6.4
159.08095	2.0
159.11761	2.9
161.02405	3.1
161.04489	1.7
161.05978	2.6
161.09665	8.4
163.00278	2.7
163.07541	3.1
164.01097	31.6
165.01884	75.9
167.03444	36.4
172.05244	3.8
173.06026	15.7
174.03146	11.1
174.06767	6.1
175.03972	4.5
175.07596	36.4
176.04759	10.7
177.01889	12.1
177.12790	1.8
179.03421	19.2
179.10732	96.1
180.11102	6.2
185.06026	2.9
186.06853	1.7
187.03943	3.5
187.07672	8.9
188.04787	3.7
189.09175	6.1
190.02673	5.5
191.03410	2.5
191.07054	2.2
199.07637	2.8
200.04721	6.3
201.05508	4.4
201.09196	8.1
202.06274	4.6
203.07106	20.5
203.10730	5.3
204.04266	4.5
204.07697	1.7
205.08644	9.3
211.03999	2.3
211.07681	1.8
212.04755	3.0
213.05527	2.0
213.09134	1.8
215.07166	2.4
216.07895	2.5
217.05217	1.9
217.08698	18.5
218.05843	2.2
223.09756	75.8
224.10028	3.7
225.05640	3.7
226.06384	4.2
227.07170	3.2
229.08701	34.7
230.09084	3.4
237.05669	1.8
237.09190	2.2
239.07188	3.1
239.10712	5.0
240.07948	3.3
241.08554	4.3
244.07449	1.7
247.09810	12.1
253.08536	1.6
254.09390	2.1
255.10182	5.4
256.10602	1.7
257.11813	4.3
265.08426	2.2
265.10828	5.1
268.07492	3.3
273.11279	2.4
281.11865	6.3
283.09818	5.5
288.06296	2.7
294.08966	3.5
295.09943	2.1
297.11356	5.4
299.09625	1.7
299.12839	7.5
318.85977	1.7
323.12921	30.2
324.13242	2.3
341.10278	2.3
341.14005	4.4
349.10895	3.5
366.51581	1.6
367.11917	75.6
368.12454	8.5
385.12891	42.8
386.13168	5.0
397.76108	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	385.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.2
57.03330	9.6
59.01264	13.9
59.78872	1.0
64.96001	1.3
69.03333	3.7
70.60208	1.0
71.01278	10.4
71.33753	2.1
72.99174	1.3
73.02839	1.6
75.00748	1.9
77.03873	1.1
77.83585	1.1
79.68285	1.2
81.03347	10.0
83.01270	13.5
83.04868	1.5
85.02847	7.2
89.02331	4.2
89.53321	1.2
93.03337	4.9
95.01281	3.5
95.04914	5.7
97.02845	8.9
99.00767	1.5
99.04410	5.5
101.02355	3.3
107.04900	2.1
108.02089	1.8
109.02872	10.9
113.02328	3.5
119.03422	1.1
121.02855	8.3
122.03622	3.6
123.00775	1.6
123.04401	4.3
124.01559	3.4
124.16665	1.3
125.02366	56.3
125.06020	1.2
126.02700	1.5
131.04927	1.4
135.04416	4.7
135.11719	7.7
137.02371	100.0
138.02794	4.4
139.03920	4.9
146.03661	15.2
147.04416	2.3
148.05302	1.6
149.02394	1.6
149.06038	2.7
150.03188	6.5
151.03911	7.9
159.04449	5.6
159.08090	1.3
159.11716	1.4
160.05135	1.2
161.02361	2.1
161.05960	1.9
161.09628	7.5
163.00371	2.0
163.03944	2.0
163.07539	1.2
164.01102	27.3
165.01881	84.5
166.02235	3.5
167.03445	41.0
167.04887	1.7
168.03862	1.3
172.05222	9.6
173.06021	14.9
174.03102	7.2
174.06799	6.2
175.03880	5.1
175.07588	28.0
176.04735	7.5
176.07938	2.1
177.01855	9.8
177.17488	1.2
179.03465	17.8
179.10733	47.4
180.11070	2.0
181.04970	1.4
185.06093	1.8
187.03990	2.5
187.07626	8.2
188.04790	3.6
188.08139	1.4
189.05547	2.8
189.09174	4.9
190.02715	3.4
191.03481	3.3
197.06105	1.5
199.03883	1.5
199.07622	2.5
200.04732	5.8
200.08354	2.6
201.05502	5.0
201.09201	18.8
202.06241	2.7
202.09438	1.3
203.07109	13.4
203.10725	7.8
204.04190	2.7
204.07545	2.3
205.08723	7.9
211.04137	1.4
211.07625	3.1
212.04781	2.7
213.05687	1.5
213.09175	2.7
215.07104	3.2
216.07770	2.2
217.08696	22.1
218.09193	2.5
219.10217	3.1
221.11797	3.6
223.09731	26.9
225.05548	4.2
226.06367	3.5
227.07068	3.4
229.08691	30.5
230.09004	2.5
237.05373	1.6
239.07101	2.8
239.10703	3.4
240.07942	2.6
241.08682	4.5
244.07509	1.8
247.09766	14.8
251.07236	2.5
252.07857	1.8
255.10283	4.0
257.11832	3.3
265.08597	2.4
266.09445	1.8
268.07446	3.1
269.07892	1.6
270.08887	2.7
273.11319	1.8
279.10196	1.9
281.11984	7.3
283.09723	4.6
284.10339	1.3
288.06421	3.4
294.08942	2.4
297.11453	5.0
299.12842	8.7
300.13184	1.2
305.11533	1.4
323.12933	24.5
324.13248	3.4
339.12289	1.2
341.10370	2.6
341.14026	4.0
349.11047	2.2
367.11905	62.7
368.12158	7.6
385.12982	45.0
386.13287	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	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.5
59.01263	7.5
61.98709	3.7
69.03340	3.7
71.01266	5.2
71.56216	1.1
72.99204	3.1
83.01273	15.6
85.02840	3.6
87.00775	1.1
89.02339	1.8
93.03366	5.2
97.02855	1.6
99.00784	5.2
101.02364	1.4
103.63012	1.0
107.04909	1.6
108.02055	1.6
109.02866	10.6
111.00810	2.6
112.98724	9.3
113.02353	1.2
115.00309	1.9
121.02879	4.4
122.03644	7.8
124.01590	3.1
125.02357	17.7
135.02986	1.4
135.04456	2.0
135.67430	0.9
136.38141	0.9
137.02370	100.0
138.03194	5.2
142.99789	14.0
144.01501	1.0
147.02936	1.1
149.02368	4.7
150.03154	20.7
151.03929	4.1
152.38823	1.0
154.02686	2.3
156.00635	1.9
157.21779	1.0
159.04436	2.8
161.02396	5.0
164.01143	5.6
165.01878	47.3
166.02522	3.5
167.03468	2.1
172.05272	1.4
173.00845	9.1
173.06027	2.5
174.01656	34.5
174.03050	1.4
175.02420	1.9
175.03857	1.8
177.01915	1.4
177.05525	1.8
179.03413	3.5
181.12134	1.0
181.26068	1.0
183.04588	1.3
186.03026	1.0
189.05637	1.3
191.01938	1.0
194.18306	0.9
197.05977	1.0
199.04108	1.1
201.05562	6.4
201.09174	1.3
203.03427	1.0
205.12326	1.1
211.13385	10.3
215.07140	1.3
217.05125	1.4
219.06569	1.9
223.13365	4.5
225.05559	1.9
226.06181	1.2
241.05133	1.4
243.06619	1.8
245.04742	1.1
255.14388	1.6
259.06183	5.6
263.12921	2.5
267.12433	5.0
269.04651	3.8
270.05304	2.2
287.05640	15.2
288.06418	14.9
307.12009	5.1
341.13940	1.4
349.12961	1.6
367.14120	12.8
368.14740	1.6
385.12970	28.2
386.13419	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76382	1.1
56.14756	0.9
57.03322	4.8
59.01253	4.6
65.03847	1.5
69.03339	3.5
70.77623	0.9
70.86836	2.2
71.01259	7.3
72.99200	6.6
75.00787	1.1
81.89695	1.1
83.01271	15.2
83.04913	2.8
83.40531	0.9
85.02847	3.8
87.00774	1.7
93.03367	5.0
97.02827	2.3
99.00783	12.6
101.02419	1.1
107.04926	2.5
108.02106	1.4
109.02881	9.3
111.00769	3.0
112.98723	20.7
115.00290	5.9
117.01862	1.3
121.02853	4.3
122.03659	7.4
123.04452	1.1
124.01533	2.9
124.98708	2.2
125.02362	15.8
125.75195	1.0
127.00224	1.0
135.04477	2.0
136.01598	1.3
137.02373	100.0
138.02998	3.1
142.99796	30.2
144.00201	1.1
145.01447	1.4
149.02357	5.9
150.03178	16.1
151.03986	1.9
154.02699	1.9
156.00595	3.2
159.04390	2.3
161.02385	3.1
164.01144	4.9
165.01886	37.6
166.02550	2.4
167.03479	1.5
173.00876	18.2
173.05927	1.8
174.01654	82.1
175.02267	6.7
175.03844	1.8
177.05542	2.8
179.03435	3.1
183.04463	1.6
183.13820	1.6
195.13904	1.8
201.05576	5.1
201.09309	1.1
203.03522	1.2
205.12311	2.4
211.13391	23.0
212.13670	2.0
219.13956	1.6
223.13406	11.1
225.05481	1.7
225.15022	1.3
226.06381	2.0
227.03664	1.1
231.87456	1.0
233.11821	1.2
235.13443	1.6
237.11339	1.4
237.14836	2.0
243.06549	2.0
245.04555	1.3
247.09613	0.9
249.14983	1.1
259.06174	3.9
261.11316	1.1
261.15088	1.1
263.12729	5.2
267.12375	13.2
269.04572	4.8
270.05164	2.0
277.14539	1.2
279.12436	3.7
281.14114	1.7
287.05713	12.5
288.06439	15.1
289.07071	1.1
305.14069	1.5
307.11905	14.8
308.12314	1.8
318.53964	1.0
325.12949	3.0
331.11975	1.2
337.13046	1.2
349.12970	4.0
367.14096	43.2
368.14194	2.8
385.12939	24.8
386.13425	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	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69413	0.6
57.03328	4.9
59.00169	0.6
59.01265	7.9
61.42387	0.6
69.03337	2.7
71.01260	10.4
71.56490	0.8
72.99187	6.8
73.02839	1.3
75.00770	1.5
75.99186	0.6
81.03336	1.0
81.56277	0.7
83.01286	8.0
83.04910	2.1
85.02835	2.8
87.00764	2.6
89.02337	1.9
93.03334	1.9
95.04948	1.0
97.02820	1.7
99.00775	13.5
99.04470	0.7
101.02361	1.5
108.02083	0.8
109.02840	4.0
111.00794	3.6
112.98710	26.5
113.99497	1.1
115.00279	5.0
117.01819	0.9
121.02923	0.8
121.80392	0.8
122.03653	1.7
123.04431	1.2
124.98723	2.6
125.02351	11.8
129.01831	1.7
135.02933	1.6
135.04437	1.1
137.02364	29.7
138.03102	1.2
140.01129	0.8
142.99786	34.5
143.04927	0.7
145.01350	2.2
148.05261	0.9
149.02357	2.2
149.89146	0.9
150.03160	10.7
151.03925	2.1
153.09064	0.9
156.00571	4.7
159.04414	1.2
161.02397	2.4
161.13303	0.9
162.03206	0.9
163.03943	1.0
163.07568	0.9
164.01106	2.5
165.01875	12.9
166.02470	1.5
167.03413	2.7
172.05191	0.9
173.00870	22.2
173.06084	0.9
174.01643	100.0
175.02391	8.7
175.07585	1.0
177.05507	1.6
177.09151	1.3
177.12694	0.8
179.03444	5.2
179.14410	1.4
183.13867	0.8
187.07626	2.6
191.01877	1.0
193.12303	2.0
195.13908	2.6
200.04796	1.2
201.05556	1.8
201.09192	2.6
205.12366	4.0
207.13884	1.6
211.13367	28.6
212.13591	1.9
213.10300	0.9
217.08665	1.2
218.05920	0.7
219.13858	1.6
221.11882	1.2
223.13370	14.3
224.13728	1.7
225.15016	1.2
229.08607	1.0
233.11737	1.4
235.13377	1.7
237.11362	1.7
237.15001	1.8
247.09767	1.7
249.11301	0.8
251.12935	1.5
259.06039	1.4
259.13165	1.0
261.11465	1.2
261.14658	1.0
263.12943	6.2
267.12399	14.9
268.12680	1.0
269.04800	1.0
277.14417	1.3
279.12415	2.7
281.14087	1.2
285.13544	1.1
287.05670	3.7
287.12894	1.8
288.06491	3.1
293.13986	1.4
305.14072	1.6
307.11911	12.8
308.11786	0.8
325.13211	3.9
337.12973	1.6
343.21478	0.9
349.12979	4.3
367.14084	36.8
368.14371	3.2
369.97879	0.7
385.12570	11.3
386.13855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.4
58.00472	2.1
59.01264	40.5
69.48351	11.2
71.01272	28.1
72.99206	1.8
75.00771	1.5
81.03340	1.9
81.29840	1.2
83.01266	4.1
85.02829	7.8
89.02335	24.4
93.03367	2.1
95.01273	3.3
97.02867	2.6
101.02361	11.0
104.28467	1.3
107.04903	2.4
109.02808	1.9
113.02352	13.6
119.03442	9.1
120.05717	4.1
125.02379	9.8
127.00612	1.2
128.39275	1.3
133.10126	5.3
135.04398	2.8
135.11681	13.9
137.02377	19.0
143.03380	2.3
143.08553	2.7
146.03670	2.8
146.07339	3.5
151.03926	2.6
152.04730	1.4
156.22374	1.2
159.04437	2.5
159.11687	4.4
161.04509	2.9
161.09668	37.5
164.01111	6.2
165.01897	15.4
167.03476	9.1
173.06097	2.1
174.03166	2.0
175.07613	6.1
176.04819	2.3
177.01883	2.6
179.03430	5.6
179.05530	3.0
179.10741	100.0
180.11052	4.4
187.04024	2.0
187.07468	1.5
189.09135	1.6
201.09157	2.2
203.07082	3.9
203.10747	14.2
205.08691	2.8
217.08661	5.3
221.11864	5.6
223.09755	67.1
224.10091	5.6
229.08763	6.4
241.06050	1.7
241.08568	2.3
242.08948	1.3
247.09827	2.3
265.10818	3.8
281.11749	2.0
297.11304	1.4
299.13123	2.4
320.06653	1.2
323.12967	6.3
349.11008	1.4
350.33810	1.6
367.11929	14.1
368.12183	1.7
370.33258	1.5
385.12726	9.3
386.13522	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	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
57.03336	12.7
59.01264	25.6
60.79161	2.0
63.69738	1.9
69.03339	26.2
70.21569	7.7
71.00962	1.8
71.01276	14.5
72.99187	4.3
73.02831	4.3
75.00774	2.1
75.18327	2.0
81.03342	6.1
83.01279	9.1
85.02854	8.7
87.00804	2.3
89.02339	9.9
93.03380	2.3
95.01277	2.6
95.04942	4.3
97.02841	14.0
99.00786	5.8
99.04441	4.0
101.02325	7.1
109.02855	7.4
111.04424	2.3
113.02352	8.1
119.03450	3.6
121.02859	7.8
122.03635	6.0
123.04461	5.0
125.02356	55.1
131.05022	2.1
133.10173	2.9
135.04422	5.2
135.11745	16.4
137.02365	91.6
142.99777	2.6
146.03665	14.9
147.04337	2.0
149.02364	2.5
149.06049	4.1
150.03111	4.3
151.03920	3.2
159.04449	6.4
159.08046	2.8
159.11732	3.9
161.02303	2.6
161.04469	4.2
161.09674	15.2
164.01111	26.1
165.01886	67.1
166.02254	3.2
167.03439	31.9
172.05217	4.3
173.00984	2.8
173.06026	12.1
174.01630	6.3
174.03168	8.1
174.06784	4.5
175.03909	6.5
175.07579	30.3
176.04744	7.8
177.01909	11.5
179.03474	21.2
179.10736	100.0
180.11090	5.0
185.00877	18.1
187.03934	4.4
187.07590	9.5
188.04681	2.3
189.09102	5.4
191.03415	2.1
199.07643	2.1
200.04738	5.8
201.05411	3.4
201.09171	6.6
202.06285	4.3
203.07083	15.1
203.10773	10.4
205.08678	8.6
217.08682	17.4
219.47318	2.1
221.12004	3.8
223.09747	67.7
224.10202	2.2
225.05547	5.1
226.06265	2.5
229.08733	27.1
239.07091	2.7
239.10806	3.3
241.08727	3.3
247.09752	9.1
253.08597	2.2
255.10231	7.9
257.11880	2.7
265.10791	5.9
268.07544	3.7
270.09052	2.3
281.11862	7.2
283.09665	5.6
294.08975	3.9
295.09656	2.2
297.11417	6.5
299.12878	7.6
309.08844	2.6
323.12805	22.0
341.10214	2.5
341.14001	3.2
349.10785	2.8
367.11874	57.6
368.12131	6.5
385.12814	35.9
386.13217	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	385.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67505	0.8
57.03332	2.3
58.00466	2.0
59.01264	42.4
67.01732	1.0
69.03352	1.9
71.01270	27.6
72.99194	1.5
73.02832	2.0
75.00743	1.1
83.01289	3.6
85.02837	6.2
87.00749	1.7
89.02337	27.0
90.02628	0.9
91.61604	0.8
93.03342	1.3
95.01276	2.5
97.02834	1.6
101.02348	12.5
109.02865	2.6
111.04423	1.9
113.01583	0.8
113.02351	16.7
119.03429	8.7
120.05721	5.1
122.03643	1.1
123.04432	0.9
123.08046	0.9
123.78685	1.0
125.02357	7.2
133.10161	4.9
135.04404	1.2
135.11728	17.6
137.02368	19.4
143.03419	1.7
143.08635	1.8
146.03671	2.1
146.07350	4.2
148.77780	0.8
149.09615	1.5
150.03200	5.0
152.04730	2.6
159.04440	1.0
159.08127	1.8
159.11725	4.0
161.02428	1.1
161.04504	3.8
161.09668	48.3
162.10036	2.2
164.01076	2.6
165.01912	11.4
167.03395	2.0
171.87167	0.9
172.05202	1.1
173.05925	1.2
174.03114	1.2
174.06804	1.2
175.03835	0.9
175.07588	3.7
175.11235	1.2
179.03474	3.5
179.05609	5.5
179.10738	100.0
180.11107	6.0
187.07732	1.5
193.12317	2.0
201.09082	1.9
203.07097	2.2
203.10773	14.2
205.08766	2.5
205.12148	1.2
217.08678	1.2
221.11763	4.5
223.09773	65.5
224.10101	6.1
229.08702	3.4
242.77379	0.9
247.09833	4.9
248.27553	0.9
265.10791	2.1
288.06601	1.0
299.12961	0.9
323.13025	1.8
325.12979	1.0
356.06659	0.9
367.12015	3.3
385.13116	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	385.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	12.8
58.00491	1.3
59.01262	24.2
59.89769	1.5
66.45470	1.4
67.01788	2.0
69.03323	3.2
71.01260	7.3
73.02833	2.2
81.03355	8.1
83.01277	13.7
85.02834	5.8
89.02348	1.6
93.03346	5.6
95.04927	5.7
97.02855	10.0
99.00728	1.5
99.04423	5.2
101.02338	3.6
107.04911	3.5
109.02863	8.9
113.02341	5.2
119.03365	1.8
121.02853	6.7
122.03647	6.8
123.04434	2.6
124.01599	4.2
125.02363	70.6
126.02715	2.6
131.04909	2.1
133.02765	1.7
133.10155	2.0
135.04431	4.2
135.11694	14.7
137.02368	100.0
138.03009	3.3
139.03918	2.7
146.03661	19.8
147.04495	1.4
148.05251	2.5
149.02406	1.8
149.05981	4.0
150.03128	5.5
151.03905	5.9
157.06509	1.7
159.04434	7.4
159.08035	1.7
161.02347	1.6
161.04521	1.5
161.05980	2.9
161.09708	7.9
163.00320	1.8
164.01094	31.5
165.01874	75.9
166.02274	3.1
167.02127	2.5
167.03444	34.4
172.05215	5.7
173.06013	15.2
174.03174	9.5
174.06741	8.0
175.03934	4.9
175.07610	36.1
176.04765	7.9
176.07968	3.4
177.01895	11.5
177.12747	1.7
179.03455	19.6
179.10736	73.8
180.11063	4.2
180.22392	1.5
181.05011	2.1
185.06032	2.6
186.06841	2.3
187.03983	5.4
187.07607	6.5
188.04720	4.0
189.05518	2.1
189.09201	6.9
190.02641	5.2
191.03474	2.9
191.07152	2.0
196.33772	1.5
199.04012	1.6
199.07561	2.6
200.04811	7.8
200.08426	1.6
201.05496	5.7
201.09203	8.0
202.06256	4.1
203.07097	17.1
203.10690	3.3
204.04192	3.3
205.06847	1.6
205.08661	8.5
209.06085	1.6
211.07640	2.2
212.04764	2.7
213.05638	1.5
213.09113	1.9
215.07158	3.2
216.07962	2.2
217.08669	20.0
223.09753	62.2
224.10074	3.4
225.05557	4.9
226.06345	3.4
227.07109	2.7
229.08658	27.9
230.09039	3.2
232.02060	1.7
237.05499	2.3
239.07115	3.0
239.10770	6.1
240.07947	3.0
241.08804	6.9
244.07472	3.5
247.09706	11.6
252.07935	2.8
255.10228	4.2
257.11816	3.9
265.08542	2.7
265.10995	3.1
268.07501	3.3
269.08298	2.0
270.09015	2.8
273.11356	3.3
278.05380	1.6
281.11807	9.6
283.09729	5.6
288.06229	2.6
294.09027	3.4
295.09586	2.0
297.11349	6.2
299.13040	9.1
323.12997	32.9
324.13257	2.6
325.10620	2.5
341.10336	3.4
341.14029	4.0
349.10934	2.9
367.11917	73.1
368.12280	11.0
385.12912	46.7
386.13174	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58927	1.6
57.03334	5.3
59.01257	9.3
61.46639	1.5
68.99706	1.9
69.03333	13.1
70.48560	6.6
71.01266	10.4
72.99199	9.2
73.08530	1.5
75.00755	2.0
81.03367	2.1
83.01281	17.0
85.02847	8.0
87.00781	4.3
93.03356	4.6
93.87476	1.6
95.01250	2.4
96.95936	2.8
97.02872	5.7
99.00780	17.0
99.04416	2.0
101.02358	1.7
108.02082	1.9
109.02882	11.0
111.00789	3.6
112.98724	25.2
113.99554	1.6
115.00280	6.1
115.28175	1.6
121.02865	4.6
121.82426	1.7
122.03682	6.8
123.04460	2.8
124.01627	2.5
125.02363	25.5
137.02376	76.5
138.03046	3.8
139.03874	2.3
139.35829	1.8
142.99788	33.0
149.02379	5.2
150.03185	18.1
151.00320	2.6
151.03943	4.0
156.00581	3.9
159.04489	2.9
161.02435	4.8
163.03915	2.6
164.01132	3.6
165.01884	44.4
166.02585	3.7
167.03473	3.3
173.00891	19.4
173.05988	2.5
174.01657	100.0
175.02383	5.9
175.03923	3.8
177.09154	3.8
177.76871	1.8
179.03494	6.4
185.00896	5.9
195.13890	2.1
201.05513	3.6
201.09163	4.7
203.03543	2.0
205.08742	2.5
205.12418	2.5
211.13387	30.9
212.13744	2.3
215.07086	2.0
223.13383	12.2
225.14970	1.8
229.08687	2.7
237.11343	2.6
243.06744	2.7
245.11949	2.1
247.09747	2.4
251.12921	2.7
259.06210	5.7
263.12973	5.3
267.12509	17.3
269.04559	3.7
279.12387	3.4
287.02838	1.9
287.05719	11.9
288.06332	12.1
289.90790	1.8
293.14377	2.4
305.14169	2.3
307.11960	16.4
319.24271	1.9
325.12842	2.8
327.61493	1.7
341.10385	12.7
349.12952	5.7
367.14218	35.4
368.14316	5.4
385.12857	38.9
386.13004	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	385.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
57.03334	4.5
58.00483	2.0
59.01263	50.2
60.01598	0.6
60.99190	0.2
67.01767	0.3
68.99697	0.6
69.03349	1.4
70.44832	0.8
71.01266	72.3
71.04888	0.4
71.14086	0.2
72.01612	1.5
72.99192	4.6
73.02834	11.9
75.00774	1.6
78.67103	0.2
81.03349	0.7
81.86311	0.2
83.01270	6.1
83.04929	1.1
84.02062	0.8
84.46061	0.2
85.02841	34.2
86.03176	0.6
87.00764	2.8
89.02335	34.0
90.02686	0.4
93.03371	0.5
95.01283	5.0
95.04916	2.4
97.02850	6.8
97.06515	0.7
99.00778	6.3
99.04427	0.3
101.02342	35.2
101.79059	0.2
102.02725	0.7
105.07009	1.4
107.04930	0.9
108.05703	2.7
109.02862	0.9
109.06511	1.5
111.00778	0.6
111.04421	1.2
111.08076	0.7
113.02355	27.3
113.05986	4.5
114.02687	0.8
115.00297	0.4
117.01814	0.2
119.03416	12.9
121.02879	0.3
121.06512	0.8
122.03649	2.2
123.04456	0.6
123.08075	4.5
124.05236	0.4
125.02367	1.6
125.06001	3.1
129.01855	1.4
131.03424	2.3
133.01407	0.4
134.03609	0.3
135.02884	0.3
135.04465	0.8
135.08067	1.0
136.05232	3.5
137.06013	1.9
137.09688	0.5
138.06796	22.6
139.00291	0.3
139.07594	10.5
140.07941	0.4
141.01927	0.3
143.03413	3.1
147.02927	0.9
147.08113	0.7
149.04497	4.6
149.06009	0.9
151.00282	0.4
151.04001	0.5
151.07587	23.4
152.04779	2.7
152.08366	50.0
153.09148	100.0
154.09482	5.0
159.02942	5.4
161.04497	22.7
161.09663	0.8
162.04819	0.8
163.11215	3.4
165.05469	0.2
165.09152	2.4
167.07074	2.5
170.05788	0.3
171.08098	0.2
173.00723	0.2
175.00366	0.3
175.07600	0.3
177.01926	0.3
178.99844	0.5
179.03456	0.6
179.05580	3.6
179.06996	0.4
179.10745	0.8
185.00844	0.4
187.11288	0.8
189.09190	1.3
190.02629	1.0
190.09973	1.9
191.01926	7.8
195.02895	0.2
205.03476	0.9
205.05072	1.4
205.12318	34.7
206.12659	2.4
223.04549	7.2
223.09802	1.7
223.13387	22.1
224.04898	0.4
224.13721	1.4
229.12314	0.4
233.10271	0.5
265.10959	0.4
280.03848	0.2
298.05856	0.4
300.02829	0.3
304.06946	2.0
385.14832	1.1
385.18866	11.7
386.19247	1.2
387.05426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
57.03334	4.5
58.00483	2.0
59.01263	50.2
60.01598	0.6
60.99190	0.2
67.01767	0.3
68.99697	0.6
69.03349	1.4
70.44832	0.8
71.01266	72.3
71.04888	0.4
71.14086	0.2
72.01612	1.5
72.99192	4.6
73.02834	11.9
75.00774	1.6
78.67103	0.2
81.03349	0.7
81.86311	0.2
83.01270	6.1
83.04929	1.1
84.02062	0.8
84.46061	0.2
85.02841	34.2
86.03176	0.6
87.00764	2.8
89.02335	34.0
90.02686	0.4
93.03371	0.5
95.01283	5.0
95.04916	2.4
97.02850	6.8
97.06515	0.7
99.00778	6.3
99.04427	0.3
101.02342	35.2
101.79059	0.2
102.02725	0.7
105.07009	1.4
107.04930	0.9
108.05703	2.7
109.02862	0.9
109.06511	1.5
111.00778	0.6
111.04421	1.2
111.08076	0.7
113.02355	27.3
113.05986	4.5
114.02687	0.8
115.00297	0.4
117.01814	0.2
119.03416	12.9
121.02879	0.3
121.06512	0.8
122.03649	2.2
123.04456	0.6
123.08075	4.5
124.05236	0.4
125.02367	1.6
125.06001	3.1
129.01855	1.4
131.03424	2.3
133.01407	0.4
134.03609	0.3
135.02884	0.3
135.04465	0.8
135.08067	1.0
136.05232	3.5
137.06013	1.9
137.09688	0.5
138.06796	22.6
139.00291	0.3
139.07594	10.5
140.07941	0.4
141.01927	0.3
143.03413	3.1
147.02927	0.9
147.08113	0.7
149.04497	4.6
149.06009	0.9
151.00282	0.4
151.04001	0.5
151.07587	23.4
152.04779	2.7
152.08366	50.0
153.09148	100.0
154.09482	5.0
159.02942	5.4
161.04497	22.7
161.09663	0.8
162.04819	0.8
163.11215	3.4
165.05469	0.2
165.09152	2.4
167.07074	2.5
170.05788	0.3
171.08098	0.2
173.00723	0.2
175.00366	0.3
175.07600	0.3
177.01926	0.3
178.99844	0.5
179.03456	0.6
179.05580	3.6
179.06996	0.4
179.10745	0.8
185.00844	0.4
187.11288	0.8
189.09190	1.3
190.02629	1.0
190.09973	1.9
191.01926	7.8
195.02895	0.2
205.03476	0.9
205.05072	1.4
205.12318	34.7
206.12659	2.4
223.04549	7.2
223.09802	1.7
223.13387	22.1
224.04898	0.4
224.13721	1.4
229.12314	0.4
233.10271	0.5
265.10959	0.4
280.03848	0.2
298.05856	0.4
300.02829	0.3
304.06946	2.0
385.14832	1.1
385.18866	11.7
386.19247	1.2
387.05426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1875
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01768	1.1
57.03334	3.7
58.00478	3.8
58.15560	0.6
59.01262	68.2
60.01593	0.8
61.15787	0.7
61.33506	0.6
65.03815	0.6
69.03352	1.5
69.40372	3.4
69.40801	2.3
70.63808	0.6
71.01266	43.7
72.01610	0.7
72.99187	4.7
73.02828	2.3
81.03365	0.8
83.01272	9.3
85.02354	1.2
85.02842	11.9
87.00775	1.6
89.02332	42.4
93.03338	1.8
95.01289	3.2
95.04870	0.8
97.02853	2.1
99.00783	1.4
101.02338	26.0
101.03016	1.5
109.02855	4.8
113.02351	16.7
119.02579	1.1
119.03413	18.1
121.02865	2.3
122.03648	3.3
123.04402	1.5
124.01554	1.2
125.02371	11.1
131.03435	1.7
135.04419	1.1
137.02368	38.8
138.02982	1.9
143.03406	2.1
149.02345	2.2
149.04456	0.8
150.03174	9.0
151.03889	2.0
154.02603	0.9
159.04422	1.3
161.02357	2.2
161.04514	3.0
161.13303	5.1
163.03885	0.8
164.01073	3.3
165.01891	18.9
166.02550	1.0
167.03323	0.6
172.05293	0.7
173.06058	1.0
173.19853	0.7
174.01620	0.8
175.03928	1.2
177.01915	1.1
177.05495	0.8
177.09134	1.0
179.03494	3.0
179.05576	4.9
183.04382	1.0
187.03845	0.8
191.01978	0.7
201.05550	1.5
201.09171	0.9
205.12314	38.8
206.12581	2.3
215.07054	0.8
218.05608	0.7
219.10255	1.2
223.09624	0.8
223.13495	0.8
243.06769	0.9
244.07410	0.7
247.09647	0.7
259.06094	2.2
269.04553	1.4
287.05627	5.9
288.06470	6.7
320.54529	0.7
325.09918	0.7
341.10358	0.7
341.13925	0.9
367.11938	0.9
385.13034	16.1
385.18668	100.0
386.13565	1.8
386.19016	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2239
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01260	5.0
60.37167	0.4
61.98699	2.1
68.65745	0.6
71.01258	1.1
71.25712	0.8
71.26045	0.4
74.50397	0.5
79.13903	0.4
79.24579	0.4
81.03346	0.5
85.02818	1.2
89.02334	1.4
91.03912	3.2
97.06500	0.6
106.42609	0.5
121.02925	0.8
122.03622	1.8
125.02368	0.9
126.03092	0.5
136.05226	0.6
167.14301	3.0
168.04272	0.6
183.13991	0.6
191.01692	0.5
193.15935	1.4
207.17462	1.3
208.85202	0.4
223.20595	1.4
225.35883	0.4
225.44157	0.5
231.17680	0.8
233.15479	1.0
249.18646	7.0
250.18921	0.8
267.19690	100.0
268.20038	6.5
275.16577	11.7
276.16922	1.0
276.26282	0.5
293.17636	64.2
294.17990	6.0
301.44724	0.5
307.96863	0.5
311.18692	11.5
312.19022	0.9
367.21265	8.4
368.21552	1.0
385.22375	72.4
386.22690	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	385.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46191	0.3
57.03323	0.3
59.01265	1.9
61.98698	0.4
70.62850	1.0
71.01273	0.5
75.00770	0.3
76.90725	0.3
85.02826	0.7
85.50259	0.3
89.02345	0.5
91.03895	1.7
97.06515	0.3
101.42181	0.3
113.09624	0.6
115.07536	0.9
127.07529	0.4
128.08391	0.5
131.13388	0.2
153.09084	0.3
167.14352	2.7
183.13858	2.3
195.13875	10.1
196.14160	0.6
211.13373	1.1
213.14890	1.1
241.14449	0.4
242.15222	1.0
249.22273	1.3
265.21796	0.6
267.23370	0.4
273.74164	0.3
275.20203	0.8
279.16971	0.3
283.22791	0.4
293.05237	0.3
293.21289	10.5
294.21524	1.0
309.20874	0.4
311.22324	100.0
312.22665	9.1
385.25961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
61.98713	100.0
70.80273	0.8
83.17686	0.3
124.40737	0.4
137.99486	0.4
178.01791	0.3
209.11902	0.4
225.14998	0.3
229.65276	0.3
305.17557	0.7
377.92825	0.4
387.25757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.7
59.01258	6.1
67.01763	3.2
68.99708	1.6
69.03337	2.5
70.32559	5.6
71.01274	5.0
72.99204	9.6
77.03854	1.6
80.58668	1.3
81.03342	6.0
83.01276	2.4
83.04910	2.6
84.88017	1.5
85.02843	33.2
86.09057	1.3
87.00780	5.2
89.03857	3.0
93.03358	24.1
95.01277	1.9
95.04916	4.2
96.95824	1.7
99.04397	1.7
105.03371	5.1
107.04933	5.4
108.02064	10.3
109.02859	11.8
111.00809	1.8
111.04406	6.7
112.42011	1.4
119.04937	10.2
121.02874	9.6
122.03667	2.1
123.04436	27.7
125.02407	1.7
127.03900	5.5
129.01848	1.7
133.02879	19.3
134.03633	3.7
135.02882	2.5
135.04459	19.0
137.02368	2.9
147.02928	2.1
149.02377	3.1
150.02977	1.7
151.03954	40.0
151.05180	2.1
152.04662	3.4
155.03407	5.0
163.03952	13.7
166.02682	2.6
169.05026	2.3
173.04504	20.7
177.01917	11.0
178.02638	2.4
179.03441	12.8
181.05000	2.3
191.01926	5.3
191.05576	100.0
192.05931	3.6
195.03004	8.4
209.02998	1.4
213.04036	3.8
337.09302	5.4
338.82498	1.6
387.09335	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20467	0.7
59.01261	4.3
71.01257	3.0
75.63825	0.6
76.50992	0.7
85.02830	1.4
89.02328	2.3
96.95911	17.0
101.02352	1.7
104.04895	0.7
108.04463	3.4
109.86664	0.8
111.51461	0.8
113.02347	1.3
122.06035	2.8
124.82980	0.8
132.04501	1.8
134.05998	0.8
160.03984	15.8
161.04539	1.7
162.05537	1.6
174.05563	1.0
175.02686	0.9
186.02003	1.7
188.03503	11.3
190.05061	1.8
197.26830	1.0
199.74423	0.7
199.76653	0.8
204.03040	5.7
211.08739	1.1
211.12445	1.4
212.07167	1.1
213.03279	0.8
218.04607	12.4
219.04938	1.0
223.08928	1.2
225.05728	3.9
225.07576	1.0
227.08252	1.6
227.99648	1.0
239.08145	1.4
239.11913	4.8
240.10280	1.8
241.05928	0.8
243.11438	1.8
251.08304	1.8
252.08963	3.6
253.06194	1.7
254.07001	1.0
255.07793	2.6
255.11224	0.8
265.10001	0.8
267.07837	2.5
267.11438	17.2
268.09827	4.6
269.09402	5.0
280.04852	1.0
281.05759	10.6
282.06305	1.6
283.07532	1.6
283.10898	4.2
293.09305	2.3
294.07431	1.1
295.07214	5.0
296.08084	7.1
305.48242	0.8
309.08884	4.1
311.10437	100.0
312.10785	10.1
315.09842	1.3
337.08353	11.2
338.08606	1.1
340.48770	0.7
343.12979	2.9
355.09427	46.3
356.09772	4.6
369.11130	1.1
387.11862	24.5
387.19693	1.0
388.12357	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1461
Annotation	Renealtin B
Peak:m/z	Relative Intensity
53.65441	0.5
56.76097	0.5
57.03340	1.6
57.13200	0.6
59.01270	2.0
69.03340	0.8
69.87638	0.6
71.01261	0.7
74.90186	0.6
76.80196	0.5
80.56049	0.5
81.03355	3.0
83.01279	4.1
85.02853	0.6
93.03364	1.4
95.01295	0.7
95.04930	3.6
95.68949	0.7
97.02856	8.3
99.04431	0.9
108.02070	0.7
109.02869	27.9
110.03159	0.7
121.02865	4.3
122.03661	1.6
123.04443	19.2
124.01676	0.5
125.01449	1.2
125.02366	18.5
125.03252	1.1
133.06529	0.7
135.04471	3.3
135.08102	1.1
137.02368	9.4
137.03320	0.8
137.06039	0.7
138.03156	0.7
139.03925	4.8
145.02937	1.9
146.03641	2.1
149.02371	6.3
150.03174	2.0
151.03961	10.2
152.04289	0.8
158.03700	0.6
159.04465	4.0
160.05252	2.0
161.02380	1.2
161.06024	7.1
162.03175	2.5
163.03989	2.4
164.01137	4.4
165.01889	5.0
167.03444	2.2
173.06075	0.7
175.02589	0.9
175.03992	2.7
175.07619	3.0
177.05566	1.5
179.03477	7.6
179.07111	1.9
185.06041	0.8
187.03958	5.7
188.04774	5.8
191.07193	1.3
193.08701	1.2
201.05551	1.2
202.06270	2.9
203.03743	0.8
203.07124	17.0
204.07457	0.8
205.05045	12.7
205.06834	0.9
206.05423	0.7
217.05212	0.7
217.08760	0.6
219.06624	0.9
221.08234	4.6
225.05580	0.6
227.07126	2.9
231.02983	1.1
233.08174	0.8
245.08220	23.5
246.08574	1.3
247.06146	2.6
247.97096	0.6
271.06290	1.0
289.07257	100.0
290.07602	7.3
299.12997	2.7
325.14145	0.7
343.11902	14.3
343.15909	1.1
344.12137	1.3
345.23141	0.7
361.84402	0.6
367.77032	0.6
380.16019	0.5
387.14569	48.7
388.14795	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	387.167
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01764	0.6
57.03339	0.6
58.00463	1.3
59.01266	71.4
69.03343	1.3
69.23508	0.6
71.01269	21.0
71.55526	0.8
72.99191	3.3
73.02832	1.5
75.00767	3.6
78.95800	2.2
81.03365	0.5
83.01274	2.0
85.02836	6.8
86.03181	0.7
87.00790	1.8
89.02340	17.9
93.03352	0.6
95.01275	1.6
95.04922	0.6
96.95912	21.0
96.96830	3.9
97.02851	0.7
98.02377	2.9
99.00765	1.7
101.02354	11.4
102.02679	0.6
109.02867	1.8
111.00773	1.0
113.02357	7.3
115.73482	0.5
117.05438	0.6
119.03419	6.6
123.00816	0.6
123.04433	1.3
125.02374	3.3
131.03445	0.8
135.02930	5.9
135.04503	1.0
137.02368	1.4
147.02930	0.5
149.04533	0.9
151.00282	1.4
151.03926	0.6
161.04483	0.9
163.11256	6.1
177.01935	0.9
178.99780	1.1
179.03401	0.8
179.05598	1.1
181.05013	0.7
185.00801	0.6
191.01923	0.6
207.06721	1.5
207.10231	10.7
208.10530	0.8
233.02754	0.9
246.29677	0.6
289.07202	3.3
295.81201	0.8
306.05682	0.6
387.16702	100.0
388.17029	10.2
393.86896	0.7
411.75998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1666
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.56907	0.4
55.01750	0.6
57.03325	1.3
58.00464	1.9
59.01263	18.1
61.87064	0.4
61.98705	1.0
63.22649	0.4
69.46243	3.8
71.00898	0.8
71.01265	9.7
72.99223	0.8
73.02831	5.3
75.00750	0.5
79.95583	0.4
83.01265	1.6
83.04915	0.6
84.02051	0.8
85.02419	0.5
85.02843	5.1
86.03593	1.2
87.00755	0.6
87.04419	2.8
89.02326	1.5
90.02066	0.4
95.04907	1.6
97.02850	1.0
99.00787	0.6
99.04414	4.2
101.02340	7.2
109.02898	0.5
109.06519	0.6
111.08093	0.6
113.02396	2.3
117.60986	0.4
119.03391	0.8
120.99545	0.4
121.06504	0.6
123.04401	0.5
125.02341	1.0
137.02356	1.1
143.03391	0.8
145.10196	0.5
161.02371	0.5
161.04491	1.3
163.09897	0.3
163.11230	7.0
165.01918	0.5
165.12871	0.7
167.02213	0.5
177.12773	1.2
181.06918	2.4
181.12289	29.6
182.12628	1.5
193.12236	0.5
195.13867	11.9
196.14317	0.6
199.07878	1.2
207.10240	3.0
223.13333	2.4
225.11313	100.0
226.11642	6.0
239.12875	6.9
249.11375	0.6
257.12097	2.0
267.12427	17.9
268.12805	1.4
289.07281	1.0
292.85077	0.4
297.13428	3.1
311.10480	0.6
327.14563	21.3
328.15057	1.5
345.13861	0.8
345.19138	1.6
387.16614	15.6
387.20569	1.8
388.16885	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.167
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.62028	0.3
57.03334	0.5
59.01266	4.9
61.14080	0.4
68.99746	0.3
69.56442	2.2
69.56850	0.5
71.01274	3.4
73.02822	2.0
80.81400	0.3
83.01283	0.4
85.02839	2.5
89.02361	2.3
93.03368	0.4
95.01279	0.5
95.04919	1.4
96.55631	0.3
96.95929	0.4
97.02823	0.6
98.19827	0.8
99.00771	0.9
101.02333	2.7
109.06528	0.7
109.51105	0.3
113.02364	4.1
119.03438	0.7
125.02355	0.8
131.64247	0.3
137.02391	0.5
137.06007	0.5
141.01894	0.7
161.04507	1.3
163.11221	3.7
163.25537	0.3
169.06384	0.3
179.05693	0.5
179.07297	0.5
179.10890	0.5
180.05768	1.5
181.05133	0.6
181.06564	2.9
181.12306	12.7
182.12631	0.7
183.04518	1.1
205.12320	0.6
207.06610	0.7
207.10281	0.6
223.09814	0.5
223.13393	1.4
224.06891	1.3
225.05576	22.6
225.07675	2.7
225.11319	100.0
226.05945	1.5
226.11653	6.6
249.07811	0.4
249.08823	0.4
249.11378	3.2
267.12473	1.6
357.10040	0.6
387.13058	1.5
387.16656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	5.8
57.03336	6.8
58.00475	2.7
58.03695	0.2
59.01262	46.4
59.94420	0.2
60.01605	0.3
60.99168	0.2
68.99713	0.4
69.03349	1.1
70.13113	0.7
70.13524	0.4
71.01266	100.0
71.04910	0.2
72.01591	1.4
72.99195	4.9
73.02831	29.8
74.03185	0.4
75.00757	2.3
79.83529	0.2
81.03351	0.7
83.01273	14.3
83.04936	0.2
84.02064	0.6
85.02838	44.7
85.99986	0.8
86.03193	0.6
87.00765	4.0
89.02333	21.7
90.02663	0.5
95.01279	7.6
96.95905	0.5
97.02847	2.3
99.00772	12.2
99.04377	0.2
100.01109	0.4
101.02340	71.1
102.02669	1.5
109.06525	0.3
111.00754	1.2
112.01573	0.3
113.02351	40.7
114.02674	0.7
115.03926	0.3
119.03413	7.2
121.06464	0.2
123.04392	0.4
123.08078	0.3
125.02360	2.7
129.01865	2.3
131.03394	0.8
135.02901	0.4
137.09634	3.0
139.00348	0.5
141.01915	0.3
143.03421	5.0
149.04501	0.4
151.00348	0.4
151.07603	0.4
151.11226	0.3
152.08403	0.3
153.09129	0.7
153.12813	0.2
159.02933	9.4
160.03186	0.3
161.04492	48.9
162.04810	1.4
163.11208	0.6
165.09175	0.3
167.03401	1.2
167.10667	0.3
173.09662	0.3
179.03485	0.2
179.05559	1.5
181.12306	0.5
189.12823	3.0
195.13881	0.8
197.15421	0.9
205.03545	2.5
207.13889	1.8
218.57018	0.2
225.14955	12.7
226.15305	0.9
300.00513	0.3
301.16647	0.4
306.55942	0.3
311.10477	0.2
387.20313	85.0
388.20621	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	387.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18056	24.0
59.01252	100.0
61.82857	22.7
71.01253	37.6
72.81861	25.7
76.79037	26.0
85.02847	22.7
95.77991	29.5
103.91920	21.1
125.78606	24.2
233.07097	24.7
314.09622	24.4
316.77505	25.5
324.63925	26.0
341.10876	26.3
387.25473	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33536	14.3
56.49795	11.0
59.01259	100.0
71.01262	32.9
89.02354	15.3
90.08118	13.0
98.19854	38.4
101.02380	16.7
106.21936	13.8
106.29396	11.6
113.02335	14.1
237.40163	12.5
387.25418	21.1
402.69434	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	387.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	100.0
69.53461	7.1
83.44139	0.8
95.17676	0.7
97.70915	0.8
114.62344	0.9
115.56776	0.9
139.20955	0.8
190.19856	0.9
235.20781	0.8
253.21793	10.0
294.67072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12037	0.3
51.12821	0.3
59.13170	0.2
61.98715	100.0
70.33609	1.0
91.24818	0.3
129.34656	0.3
273.35013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27620	0.3
59.01273	2.2
61.98715	100.0
65.67809	0.3
70.01386	1.8
79.95628	3.8
80.96415	0.5
82.03275	0.3
83.76030	0.3
95.95138	0.6
96.95293	0.5
96.95911	8.0
97.02896	0.4
119.78541	0.3
131.25618	0.3
143.52911	0.3
143.54181	0.3
145.60077	0.3
194.55309	0.3
197.11792	0.3
211.13351	0.5
227.12903	0.6
389.16428	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	388.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.6
61.98714	100.0
70.17702	0.3
70.55922	0.9
79.95631	1.0
96.95909	7.0
127.94101	0.3
138.45120	0.3
218.49658	0.3
227.12926	0.4
240.40526	0.3
244.12428	0.3
289.38959	0.3
325.20346	0.5
379.32465	0.4
389.16510	4.2
413.86545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54625	0.7
59.01261	5.5
61.98715	100.0
71.56625	1.5
73.56620	0.8
79.95620	6.3
80.96404	2.5
82.34053	0.8
96.95919	6.8
101.29186	0.9
105.79280	0.7
119.54434	0.8
123.50694	1.0
141.00288	0.7
185.12105	0.8
220.48743	0.9
227.33760	0.8
291.19797	2.1
309.20737	1.5
389.16504	13.7
389.22009	1.2
389.23184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1253
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
50.90754	0.1
57.03325	0.1
58.72379	0.1
59.01266	2.0
71.01263	1.4
73.02830	0.3
74.98985	0.1
75.00764	0.1
79.96727	0.1
81.03339	0.1
85.02837	0.5
87.00764	0.3
89.02341	0.7
93.03329	0.2
101.02364	1.1
107.04928	0.2
109.02908	0.2
113.02367	0.4
117.03353	0.3
119.03397	0.5
119.04930	0.5
120.99548	0.5
125.02374	0.3
131.36334	0.1
135.02904	0.6
141.07047	0.8
143.04964	6.3
144.05319	0.4
145.02808	0.3
157.06538	1.2
159.08099	2.1
161.04509	0.5
167.04843	0.2
168.05785	0.1
179.05649	0.2
181.06563	0.5
182.07344	0.8
183.08119	2.6
184.05304	0.1
184.08540	0.2
185.06050	10.8
186.06435	0.5
199.07634	0.2
209.05951	0.2
212.04897	0.2
212.94501	0.1
221.06113	0.1
225.05574	0.6
226.06042	0.1
227.07143	100.0
228.07486	6.9
232.48119	0.1
244.13647	0.1
250.00940	0.1
271.06192	0.3
337.83588	0.1
389.12320	0.9
389.16434	0.2
389.21219	0.3
389.25742	0.3
390.09561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1646
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
56.69476	0.3
59.01261	3.6
61.98709	1.2
67.18968	0.2
69.28202	2.5
71.01293	0.4
72.33515	0.2
75.00811	0.2
79.95623	14.1
80.96404	1.1
89.02354	0.4
96.95907	100.0
97.95853	0.5
101.02333	0.5
124.99623	0.3
138.77039	0.2
139.38885	0.2
182.14081	0.3
256.97275	0.3
291.19727	0.6
309.20752	1.3
356.20654	0.2
389.16437	43.0
390.16763	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	389.1823
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.33801	0.4
50.84898	0.4
51.83086	0.5
54.91885	0.5
55.01766	1.1
57.03329	1.8
58.00491	0.5
59.01263	62.2
60.01604	0.7
65.00183	0.5
66.07113	0.5
69.03342	0.9
70.03941	2.3
71.01270	13.5
72.99200	1.4
73.02840	3.0
75.00724	0.9
78.01726	0.5
78.18565	0.5
83.01254	2.5
85.02843	13.4
86.00032	0.5
86.45613	0.5
87.00743	0.8
89.02334	6.7
93.03331	0.9
95.01268	0.9
96.85127	0.4
97.02876	0.7
98.20469	0.6
99.00787	1.4
101.02345	10.7
109.02888	0.8
113.02350	5.8
119.03397	2.8
122.60680	0.5
125.02368	0.9
129.01878	1.1
133.02847	0.5
135.02992	0.7
135.04425	3.5
136.44936	0.5
136.62654	0.5
143.03491	0.7
147.02901	1.2
151.00316	1.5
153.00591	0.5
161.02432	1.2
161.04478	2.0
161.05785	0.6
167.03470	0.6
173.00908	0.5
173.04517	5.1
174.59975	0.5
178.99831	0.7
179.03429	1.8
189.05507	1.9
191.05550	1.1
191.73798	0.5
209.11783	0.5
233.04408	0.7
274.78455	0.5
309.06229	3.1
313.08282	1.3
313.11771	0.8
329.16129	1.3
345.03943	0.8
353.08908	1.5
357.11139	0.6
371.17194	0.9
389.18228	100.0
390.18643	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	389.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01516	0.4
55.01769	5.3
57.03339	5.1
58.00483	1.7
59.01263	59.7
60.01591	0.8
67.01769	0.3
68.99712	0.4
69.03340	1.2
69.95403	1.2
71.01269	100.0
71.04908	0.2
72.01609	1.7
72.99196	3.4
73.02834	30.7
74.03152	0.4
75.00751	1.8
81.03342	0.6
83.01276	13.1
84.01617	0.4
84.02077	0.7
85.02842	44.5
85.99986	0.5
86.03190	0.8
86.63103	0.2
87.00768	4.3
89.02337	17.8
92.06443	0.2
95.01285	7.5
95.04973	0.2
97.02853	2.8
99.00778	13.6
99.04401	0.3
101.02345	68.1
102.02688	1.3
103.03825	0.3
111.00777	0.9
112.01611	0.3
112.57315	0.2
113.02354	39.9
114.02679	0.9
114.28232	0.2
115.03894	0.3
119.03418	5.6
125.02351	2.4
129.01845	2.0
131.03430	1.1
131.08568	0.6
135.02852	0.3
139.00258	0.5
143.03424	5.4
144.03755	0.3
147.11737	4.4
149.04434	0.5
159.02934	9.7
160.03271	0.3
161.04497	57.1
162.04832	1.6
165.04045	0.2
165.12840	0.5
167.10600	0.3
179.05583	3.8
205.03497	2.8
209.11841	0.7
209.15482	0.3
225.14900	0.2
227.16542	2.5
241.35301	0.2
329.16199	0.2
338.41354	0.2
371.20972	0.4
389.21915	68.6
390.22229	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	389.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42541	1.1
59.01265	22.8
61.98715	3.2
63.21502	1.1
71.01267	1.8
71.04905	5.9
71.56573	1.9
80.91582	3.2
81.03347	1.9
83.01233	1.0
83.04911	3.1
93.03368	3.6
95.01257	1.3
95.04926	1.4
96.95935	1.8
98.03625	1.2
98.34790	1.0
99.92525	2.3
106.04126	1.8
107.04946	1.5
109.02853	2.5
109.06497	13.8
111.04424	13.8
121.06514	3.3
123.04466	1.4
123.08076	1.6
127.07561	3.1
137.06082	1.0
145.06480	2.3
149.06036	7.7
149.09628	1.3
158.98770	1.0
161.04471	1.5
161.09726	1.2
167.10738	3.1
195.13878	1.8
217.12149	2.0
228.82056	1.0
235.13333	1.2
245.19110	3.8
247.09657	2.0
249.11055	3.4
254.57614	1.2
257.11612	7.0
261.18628	1.4
271.13232	1.2
273.14609	1.9
279.12286	2.0
287.16486	3.5
289.18152	100.0
290.18518	7.6
300.13452	2.3
301.16916	1.2
303.18243	1.0
307.19214	11.8
311.16290	5.0
329.17307	69.6
330.17493	6.5
345.20529	1.4
389.11682	1.1
389.15985	1.2
389.24356	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	389.2189
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
51.11855	0.5
55.01767	6.3
57.03339	6.1
58.00476	2.5
59.01262	56.0
59.60250	0.4
60.01621	0.5
63.35740	0.4
68.99701	0.7
69.03345	1.0
69.30307	4.0
71.01266	100.0
72.01612	1.3
72.99196	3.0
73.02834	31.5
74.03192	0.4
75.00760	1.9
81.03341	0.5
83.01274	14.9
84.02052	0.6
85.02840	46.4
85.99994	0.6
86.03181	0.9
86.97451	0.4
87.00774	4.2
89.02338	19.1
94.71892	0.4
95.01287	7.9
97.02847	2.0
97.54935	0.4
99.00779	12.7
99.04465	0.4
101.02343	74.7
102.02693	1.7
111.00794	1.2
113.02354	41.3
114.02711	0.6
118.27164	0.4
119.03411	8.3
125.02356	2.9
129.01863	1.6
131.03427	1.3
131.08571	0.4
143.03430	4.0
147.11732	5.0
149.04442	0.6
152.08316	0.6
159.02937	10.2
161.04492	52.5
162.04846	1.3
167.10669	1.3
168.08850	0.4
179.05576	2.8
199.88023	0.4
205.03485	1.4
221.83720	0.5
227.16432	2.2
329.16113	0.5
389.21915	69.5
390.22220	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	389.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15187	7.9
59.01264	100.0
69.37893	48.0
69.38312	30.7
80.96407	20.7
82.46839	9.2
91.14049	9.5
120.69682	7.9
128.34419	9.4
129.83820	9.7
136.69661	9.5
161.04523	8.9
168.29907	8.9
224.37103	9.2
255.23253	11.3
389.19095	12.3
411.13507	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	389.2706
Annotation	3alpha,12alpha-Dihydroxy-5beta-chol-6-enoate
Peak:m/z	Relative Intensity
59.01259	24.7
69.44916	10.6
69.45325	3.9
71.01244	2.7
74.05709	1.5
75.23625	1.9
89.02350	2.3
91.76923	1.4
93.77500	1.5
98.20535	2.7
101.02384	2.0
107.04931	2.8
125.09672	1.9
127.68458	1.4
134.03673	1.4
135.20708	1.5
161.04517	1.6
165.12747	2.3
177.09140	4.0
191.10680	2.0
259.20773	1.6
263.20190	11.1
273.22318	7.3
275.20267	2.6
281.21268	100.0
282.21591	7.7
291.19724	16.4
293.21268	21.7
301.21756	2.3
320.19958	9.2
327.27054	13.4
328.27390	2.2
353.24933	2.5
371.25958	31.9
372.26279	3.7
389.27048	75.7
390.27463	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	389.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45277	0.8
55.51357	0.7
57.65008	0.8
59.01263	100.0
59.67799	0.7
60.01594	1.1
69.71534	0.7
69.97836	0.7
70.16240	1.4
70.16638	2.0
70.30202	0.8
96.49139	0.8
116.24115	0.9
118.01456	0.8
121.80070	0.8
160.77446	0.7
274.34494	0.7
331.54608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.1
61.98716	100.0
63.05142	0.5
66.15974	0.4
70.31739	2.0
79.13252	0.6
96.33916	0.4
98.19879	0.6
134.03358	0.5
164.15880	0.5
264.46671	0.5
308.09232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03324	2.5
59.01265	22.2
68.99702	3.0
71.00900	1.9
71.01273	34.3
71.55643	1.1
71.56039	1.2
72.99192	12.7
73.02838	6.1
75.00761	23.3
79.79415	1.1
79.87879	1.2
83.01267	4.6
85.02852	10.4
87.00771	100.0
88.01099	1.7
89.02345	15.5
95.01269	2.1
97.02891	1.5
99.00777	22.4
101.02336	10.1
103.00272	4.4
105.01818	3.4
111.00784	7.4
112.98732	1.5
113.02364	14.5
115.00301	9.5
117.01846	27.1
119.03409	1.7
124.98669	1.1
125.02374	1.2
127.00290	15.4
129.01851	10.1
131.03435	1.5
134.98466	1.4
139.00287	7.1
141.01805	7.2
142.99731	2.1
143.03439	1.9
145.01334	3.0
147.02933	2.4
154.99779	2.2
157.01364	13.6
159.02930	9.2
161.04483	1.6
165.21724	1.1
173.00822	1.4
175.02441	20.4
177.04042	13.9
179.05609	6.2
193.03606	2.4
213.01729	2.8
301.69623	1.0
319.06830	1.8
337.07852	8.5
375.55911	1.2
391.06213	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	391.1045
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
55.01776	0.2
57.03337	0.6
59.01263	33.8
60.01595	0.1
60.72825	0.1
61.23399	0.1
63.02271	0.8
63.96099	0.1
65.00208	5.7
67.66724	0.1
70.12447	0.2
70.12845	0.3
71.01269	1.6
72.13358	0.1
72.99194	0.3
73.02827	0.6
75.00759	0.2
81.03349	0.1
83.01274	3.5
84.01643	0.1
85.02843	0.8
87.00819	0.2
89.02326	0.7
95.01301	0.2
98.19897	0.1
98.80537	0.1
99.00751	0.2
99.04428	0.3
101.02338	1.7
101.03888	0.1
102.02670	0.1
107.01292	7.6
108.01664	0.3
108.99232	0.2
113.02358	0.8
115.05457	0.2
119.03445	0.3
119.04941	3.1
121.02876	2.1
125.02368	1.2
131.98114	0.1
135.02913	0.4
135.98279	0.4
137.02388	0.3
141.07031	0.6
143.04959	3.9
144.05290	0.2
145.02882	10.0
146.03221	0.3
149.02373	0.4
151.00305	19.5
151.11378	0.2
152.00645	0.7
157.06496	0.7
159.02872	0.2
161.04504	1.1
161.06018	3.8
162.06332	0.2
167.04921	0.2
169.01350	0.2
184.05252	0.2
185.06041	7.9
186.06360	0.5
187.03973	0.5
191.03557	0.2
201.05624	0.2
209.06009	0.1
215.07135	0.2
225.05602	1.1
227.03487	0.4
228.04128	0.2
229.05066	100.0
230.05408	6.8
230.07236	0.1
253.05099	1.4
254.05273	0.1
257.06708	0.2
271.06107	1.8
271.08521	0.5
272.06339	0.2
274.91211	0.1
295.06198	0.2
315.10233	0.1
331.17691	2.7
391.10318	6.3
391.19019	0.8
392.10828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
59.01261	61.6
60.01591	0.8
60.84604	0.2
63.02281	1.0
63.96117	0.4
65.00206	5.6
69.03342	0.3
71.01266	3.5
71.58582	0.3
71.58949	0.2
72.99207	0.6
73.02818	1.0
73.98235	0.2
75.00735	0.3
75.38194	0.2
76.62477	0.2
83.01272	4.7
85.02840	1.3
87.00772	0.3
89.02340	1.4
95.01312	0.4
99.00787	0.6
99.04400	0.4
101.02345	2.7
101.03885	0.2
107.01291	8.6
108.99211	0.3
109.34975	0.2
113.02357	1.5
115.05471	0.3
119.03422	0.7
119.04932	3.9
121.02866	2.4
123.00755	0.3
125.02367	1.5
135.02916	0.7
135.98296	1.3
137.02371	0.3
141.07037	0.5
143.03325	0.3
143.03752	0.2
143.04962	3.7
145.02876	10.2
146.03212	0.5
149.02342	0.3
151.00299	19.5
152.00662	0.5
157.06462	0.7
159.02919	0.3
161.04475	2.0
161.06007	3.5
184.05225	0.3
185.06036	8.7
186.06398	0.7
187.03905	0.4
214.06310	0.2
215.07094	0.3
225.05537	1.1
228.07784	0.2
229.05057	100.0
230.05383	6.5
240.04631	0.2
243.06511	0.3
253.05006	1.2
255.06480	0.3
271.05914	2.0
271.08765	1.5
295.06061	0.2
331.17688	5.3
332.17776	0.4
390.66531	0.2
391.10196	6.9
391.18561	1.1
392.10754	0.7
414.85464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11584	0.2
55.01786	0.2
55.34863	0.2
57.01228	0.2
59.01262	100.0
60.01606	1.1
71.01267	3.5
71.01624	0.3
71.14108	0.2
71.14423	0.3
73.02835	0.6
75.00788	0.2
83.01293	0.4
85.02827	1.0
87.00819	0.2
89.02332	5.3
95.01299	0.4
101.02336	2.9
103.49131	0.2
113.02349	2.3
119.03414	2.7
125.02372	0.2
131.03410	0.2
137.02431	0.2
143.03453	0.6
149.04480	0.2
161.04475	1.3
178.99873	0.2
179.05544	1.4
296.72394	0.2
302.56110	0.2
331.17807	1.5
343.04016	0.2
391.18500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03341	0.3
59.01260	100.0
60.01601	1.0
61.98714	9.1
63.38027	0.3
66.85925	0.3
70.33158	0.3
71.01260	4.4
71.58500	0.5
72.99204	0.9
73.02840	1.0
75.00767	0.7
77.80811	0.3
83.01308	0.4
84.74938	0.3
85.02359	0.3
85.02843	1.3
87.00800	0.5
89.02328	4.8
93.03381	0.4
96.95886	0.4
99.00784	1.0
101.02345	3.5
110.06506	0.3
112.05176	0.3
113.02354	1.6
117.01862	1.2
119.03410	2.2
119.04967	0.4
121.02823	0.3
123.04456	0.7
125.02393	0.5
131.03423	0.7
135.02934	0.4
135.04549	0.5
137.02391	0.6
143.03476	0.3
149.02371	0.4
149.04472	1.6
150.03168	0.4
158.06116	0.4
161.04526	1.3
163.03937	0.6
165.05453	0.5
167.03450	3.2
169.08746	0.8
174.32040	0.4
179.05638	2.0
191.03384	1.4
195.06673	0.4
202.05086	0.9
207.05173	1.0
246.06247	0.6
261.97321	0.3
329.08780	1.5
331.17618	2.7
391.19833	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.2
56.14963	0.2
57.03338	4.8
58.00481	0.4
59.01263	100.0
60.01596	1.0
65.32086	0.3
69.68462	0.6
69.68866	1.3
71.01265	6.9
71.90358	0.2
72.99183	0.6
73.02849	0.9
75.00766	0.4
83.01263	0.4
85.02857	1.3
87.00770	0.5
89.02337	9.5
99.04414	3.6
101.02350	5.2
103.19748	0.3
113.02345	3.3
119.03400	4.1
125.02377	1.0
131.03398	0.5
135.02943	0.8
143.03476	0.6
149.04514	0.5
161.04518	1.1
172.05179	0.3
179.05568	2.2
218.42233	0.3
229.08777	0.5
229.14525	0.3
247.11945	0.4
255.06616	0.4
331.17679	1.5
391.19943	1.0
401.05707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03084	0.4
57.03337	4.1
58.00494	0.6
59.01262	100.0
60.01591	1.2
60.09362	0.2
63.42493	0.3
63.93816	0.2
68.62487	0.3
70.35863	1.1
71.01270	7.1
72.99184	0.3
73.02838	1.0
75.00758	0.7
83.01283	0.5
85.02858	1.2
87.00767	0.4
89.02332	10.1
90.86315	0.2
95.01334	0.4
99.00787	0.5
99.04408	2.8
101.02338	4.9
113.02341	3.5
119.03412	3.7
125.02384	1.2
131.03464	0.4
135.02907	1.4
143.03459	1.2
149.04460	0.6
150.22876	0.3
161.04535	1.6
179.05594	2.8
183.10281	0.3
193.05135	0.4
199.12428	0.3
200.49350	0.3
226.08807	0.3
229.08621	1.6
247.11943	0.4
255.06668	0.7
331.17548	2.0
381.24490	0.3
392.18964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01263	100.0
60.01587	1.0
61.12737	0.5
69.63035	2.6
69.63439	1.3
71.01266	18.8
72.99196	1.0
73.02841	4.9
75.00779	1.6
83.01271	2.6
85.02841	7.4
87.00782	1.7
89.02335	8.0
93.03333	0.7
95.01295	1.6
96.95961	0.7
99.00793	1.4
101.02341	13.9
105.01871	0.7
111.04380	1.0
113.02351	8.5
119.03418	3.2
125.02387	1.5
135.02928	2.9
138.67238	0.5
143.03441	0.7
151.00333	1.5
155.03406	0.9
159.02927	1.7
161.04507	14.3
167.10815	1.1
173.04530	1.3
175.02202	1.0
179.05638	1.7
187.02199	2.9
191.05629	0.6
195.01932	0.9
195.52325	1.7
196.02707	8.5
201.01918	2.6
209.01730	2.1
210.02457	1.4
218.02267	2.4
223.01451	1.5
231.51582	0.7
232.01973	9.5
232.04099	0.9
239.03583	0.7
276.04764	1.1
283.05737	1.1
305.04907	18.7
319.04767	1.1
331.17682	29.0
332.17993	3.1
335.06009	0.8
363.05377	1.0
391.05185	0.7
391.14078	0.6
391.19220	1.8
391.27072	2.3
392.07574	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	391.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	99.8
61.98716	2.3
69.03331	3.1
71.01234	5.2
71.23555	2.8
71.23888	3.0
73.65765	1.8
80.91536	2.2
89.02321	2.7
101.02322	3.1
111.08063	44.8
127.07594	2.9
144.15419	1.8
147.11728	3.4
151.11246	5.7
153.12778	2.3
164.58107	2.0
165.12749	6.0
169.12312	10.6
181.12256	4.5
183.13840	2.3
183.32101	2.0
197.11807	98.4
198.12196	3.9
199.13400	4.8
211.13354	10.1
215.10577	2.7
217.08440	2.2
219.10007	91.2
220.10349	4.3
233.11604	43.8
234.11806	3.2
243.39233	1.9
249.13539	2.4
251.11423	5.6
261.11066	2.6
263.20166	4.7
265.18234	2.9
275.25128	1.9
287.16412	2.9
291.19769	17.8
293.12619	8.6
309.20761	100.0
310.21106	8.1
331.18951	48.0
332.19345	6.1
375.17914	4.8
391.20709	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	391.2109
Annotation	Eriocasin C
Peak:m/z	Relative Intensity
59.01264	100.0
60.01605	2.8
61.98693	2.6
71.01270	7.5
71.57037	3.4
79.55338	2.5
85.02843	4.3
89.02351	2.8
93.03374	2.4
101.02351	4.3
101.73022	1.8
111.08040	2.3
116.32510	2.0
161.04562	4.7
193.08437	4.4
195.13928	3.7
197.08134	6.4
223.13377	7.2
229.19621	2.5
245.19168	2.4
271.13251	2.2
273.14685	3.6
283.35657	2.5
285.14725	8.7
291.19720	10.9
295.16925	2.8
297.18530	15.8
305.13800	5.0
311.16296	2.3
313.17896	21.5
314.18332	3.1
316.13400	2.2
329.17410	26.2
330.17679	4.7
331.17795	9.6
373.20163	3.3
375.20462	3.8
391.21344	28.8
391.29648	3.9
392.21558	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	392.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20157	0.6
56.45639	0.6
57.33471	0.6
58.37494	0.6
59.01264	6.5
60.01582	1.0
61.98715	100.0
70.20586	0.6
71.56305	1.0
80.93088	0.7
96.95888	0.6
133.02875	1.8
168.56807	0.8
304.29642	0.7
321.22543	0.7
361.73184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13887	0.3
59.01264	9.0
60.01606	0.4
61.01678	0.2
61.71432	0.2
61.98711	0.8
70.47987	1.0
71.01276	2.2
72.99191	3.3
73.02827	0.3
75.00761	33.9
85.02823	0.3
87.00758	1.1
88.69940	0.2
89.02332	5.7
109.02847	0.3
117.01847	2.3
134.03667	0.3
135.02916	100.0
136.03264	2.2
149.05989	0.3
158.03661	0.4
159.04491	0.7
161.02388	0.3
172.05247	3.6
173.06050	0.8
175.07558	0.3
179.03386	0.2
183.04521	1.3
187.04073	1.3
187.07600	20.3
188.07965	1.6
197.05986	0.3
199.03970	2.1
200.04692	1.3
201.05548	1.3
202.06346	2.1
203.06889	0.4
203.10789	0.3
204.04291	0.8
211.04008	0.5
213.09189	2.8
213.19197	0.2
214.09756	0.3
215.07141	4.0
218.31537	0.2
227.03502	2.8
228.04250	2.0
228.55524	0.2
229.08699	2.6
230.09319	0.3
231.06769	1.3
231.10255	5.3
257.08224	19.2
258.08582	1.7
271.02753	0.3
275.09277	7.0
276.09534	0.5
378.17844	0.2
393.12109	1.1
393.21225	0.3
394.08884	0.4
414.51910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07524	0.2
55.01770	0.3
57.03338	0.3
59.01260	13.3
59.54654	0.2
59.74438	0.2
71.01266	3.2
72.99193	2.6
73.02827	0.8
75.00760	33.5
76.01096	0.3
78.00498	0.2
83.01277	0.5
85.02834	1.1
87.00751	1.9
89.02339	5.8
93.03335	0.2
98.19769	0.6
99.00770	0.6
101.02322	1.1
109.02840	0.3
113.02343	0.5
117.01840	3.0
119.04884	0.2
121.02894	0.3
125.02354	0.3
133.02859	0.3
134.03629	0.5
135.02914	100.0
136.03241	1.8
146.03674	0.3
159.04457	0.7
161.02406	0.2
161.04510	0.3
171.10223	0.3
172.05225	2.9
173.05998	1.0
174.06825	0.8
175.07611	0.3
178.99812	0.2
179.03442	0.3
183.04492	1.1
187.04057	1.2
187.07605	20.0
188.08008	1.0
199.03976	1.8
200.04753	1.1
201.05577	0.7
202.06319	2.0
203.10834	0.8
204.04347	0.6
211.04091	0.3
211.07614	0.2
213.09204	3.0
213.14996	0.3
214.06419	0.4
214.09622	0.2
215.07108	4.5
216.07614	0.3
227.03496	2.3
228.04283	2.2
229.04776	0.3
229.08662	1.3
231.06665	0.7
231.10278	6.7
231.12485	0.5
231.16025	1.8
232.10654	0.4
257.08228	22.3
258.08621	1.9
266.99826	0.4
275.09311	9.0
276.09702	0.8
333.19162	1.4
362.09564	0.3
393.12180	1.2
393.21600	9.1
394.21930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.4
55.77558	0.9
57.03335	99.7
58.03669	2.0
59.01262	100.0
61.98715	4.2
69.34415	10.6
70.07182	0.9
71.01260	22.3
72.24784	1.1
72.99191	4.6
73.02820	9.9
75.00761	28.0
81.03378	1.2
83.01281	4.4
85.02834	7.9
87.00777	4.4
88.30731	1.0
88.98702	4.1
89.02328	7.2
90.91557	1.0
95.01283	2.0
99.00783	3.1
99.04416	81.4
100.04779	1.3
101.02337	36.6
107.01308	2.1
113.02345	8.2
115.83788	1.1
117.01870	9.7
119.03377	2.1
124.01580	2.4
125.02370	25.7
133.02878	2.5
134.03629	5.0
135.02911	81.1
135.04413	12.0
143.03423	3.2
149.02351	1.8
151.00325	3.6
159.02922	2.4
159.04439	2.3
161.04475	7.1
165.05544	1.5
171.10190	4.2
172.05266	3.3
173.06024	2.0
174.03198	1.7
174.06834	2.0
175.03946	1.7
175.07533	1.9
176.04588	1.9
177.01939	1.2
178.99821	3.0
179.03427	3.6
183.04436	1.7
184.05132	1.4
185.06059	1.0
187.04004	5.1
187.07617	18.2
188.07942	1.7
195.06564	6.0
197.06015	1.4
198.06714	1.5
199.03954	1.7
201.05420	2.2
202.06319	3.6
203.10823	2.5
205.47086	1.1
206.00348	3.0
213.09209	14.8
214.09456	1.2
215.07138	2.9
216.07901	1.2
217.05135	1.0
218.23273	1.0
221.02777	3.0
227.03600	2.2
228.04265	1.4
229.04977	1.9
229.08624	1.4
230.00381	3.1
230.09244	1.2
231.10262	20.7
239.03435	1.5
240.03645	1.7
245.02742	1.6
248.01570	1.6
249.13455	31.9
255.03055	2.4
257.08206	35.2
258.08487	2.9
259.21967	1.1
263.03928	1.4
266.99655	2.4
271.02518	2.7
272.01489	2.3
275.09314	40.9
276.09598	3.0
283.02454	5.0
284.03098	1.3
285.04117	2.4
289.13120	1.8
291.14539	4.0
297.04123	1.2
300.02838	2.9
301.03601	2.3
331.02893	5.3
331.17834	1.3
333.12073	2.6
375.01788	12.2
376.02509	1.3
385.08508	2.6
393.12051	2.2
393.17816	8.9
393.21835	4.0
394.09137	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	393.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82225	0.6
53.51311	0.5
55.01775	1.5
56.19543	0.5
57.03336	92.8
58.03672	1.5
58.49521	0.5
59.01264	100.0
60.01606	1.2
61.98725	1.8
64.50462	0.5
69.03339	0.6
70.34546	1.1
70.34925	1.7
71.01269	13.9
72.99220	1.5
73.02834	6.5
75.00764	7.2
81.03359	0.6
83.01275	4.3
85.02843	7.9
87.00787	2.2
89.02347	2.4
95.01282	0.9
95.97079	0.6
99.00777	3.3
99.04418	67.2
100.04770	1.8
101.02348	30.7
102.02694	1.0
105.03349	0.8
108.93270	0.6
113.02358	6.9
117.01853	3.4
125.01443	1.3
125.02364	20.1
133.02858	1.6
134.03636	1.8
135.02921	23.3
135.04427	1.2
136.03299	0.8
143.03435	1.7
143.30586	0.5
156.07481	0.6
159.02896	1.6
159.04373	1.0
161.02373	0.7
161.04527	6.1
172.05235	0.7
177.01900	0.7
178.02731	0.5
187.07622	5.0
195.06598	2.0
202.06281	1.1
203.10635	0.7
213.09103	1.3
215.07019	1.0
229.08713	1.3
231.10315	6.4
249.13454	28.5
250.13817	1.2
257.08231	4.3
275.09293	13.1
276.09381	0.7
291.14554	3.9
331.17645	1.1
333.19183	4.0
393.12189	1.1
393.17203	4.5
394.17734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22062	2.3
59.01263	42.3
61.98714	11.2
69.54569	2.2
71.57895	3.3
100.56191	2.2
113.09637	2.7
119.45290	2.1
129.09120	3.9
147.11740	4.8
165.12784	5.9
169.12225	2.8
171.10202	2.6
181.12286	3.2
183.13948	2.4
183.48595	2.1
197.11865	10.4
207.98181	1.9
211.13428	12.6
215.10522	8.0
230.16982	2.2
230.35776	2.0
233.11604	100.0
234.11977	4.2
251.11499	4.6
293.12399	10.6
293.21362	14.1
311.22321	99.2
312.22708	5.0
328.20758	2.2
333.20477	8.0
369.68375	2.0
393.22601	18.5
415.43283	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	393.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01049	3.0
59.01273	41.3
61.98718	100.0
71.01271	4.3
71.57997	5.0
83.01282	6.5
83.04884	3.0
97.06440	3.6
111.08015	3.9
121.02898	5.2
127.07594	6.3
135.11749	3.9
159.11703	16.7
171.10226	37.9
175.11238	5.2
197.11816	7.6
201.11325	3.7
203.10730	36.0
203.14232	3.4
221.15533	29.5
222.53561	3.0
229.93442	3.9
233.15474	25.0
247.13443	13.7
249.15123	5.3
265.14536	23.3
277.14465	61.5
278.15033	5.4
289.21854	5.7
306.14719	4.6
309.20618	4.0
309.34100	3.4
311.22031	5.9
313.21884	19.5
331.22876	17.5
357.20898	20.7
375.21756	79.4
376.22171	9.0
393.23026	4.6
394.18439	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	395.1929
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01769	5.2
57.03338	4.4
58.00474	1.9
59.01262	44.0
61.98716	3.1
69.03347	1.5
71.01267	54.2
72.99178	3.2
73.02834	30.8
75.00748	1.7
81.03363	1.1
83.01273	13.9
83.83379	0.9
85.02845	31.6
85.99982	2.0
87.00758	4.0
89.02328	15.8
93.86626	1.0
95.01280	5.7
97.02839	2.5
99.00780	12.2
101.02349	60.9
102.02681	1.4
111.00797	3.2
112.43663	1.0
113.02360	24.0
115.03914	2.3
119.04862	1.2
125.02358	3.2
129.01845	1.9
131.03398	4.3
135.02939	1.6
136.31227	0.9
143.03444	2.2
149.04485	1.9
151.07527	1.0
159.02908	4.1
161.04492	19.6
163.03955	1.9
169.11014	0.8
171.10240	1.1
195.06551	2.0
210.43761	1.0
233.06630	3.6
263.15042	100.0
264.15356	7.2
300.15414	1.1
367.66946	0.9
395.19278	97.5
396.19617	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	397.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.2
59.01261	5.1
61.98708	0.8
68.99697	0.9
69.03325	1.3
71.01272	6.3
71.41763	0.6
71.56633	0.7
72.99179	0.6
73.02821	1.1
75.00768	2.9
81.03374	1.1
83.01276	0.9
85.02835	7.6
88.48060	0.5
89.02357	0.8
90.77412	0.7
95.01289	4.7
99.00784	1.6
99.04412	5.6
101.02343	3.2
108.02074	72.8
109.02875	42.0
110.03212	0.6
113.02343	2.1
117.03366	0.8
119.04932	1.2
120.99593	0.8
121.02848	1.7
123.00822	3.8
125.02387	1.2
133.02826	0.7
135.02921	6.4
135.04442	1.4
145.02849	2.2
151.03929	1.0
152.01089	73.6
153.01888	21.1
161.02437	0.8
161.04469	1.1
163.03923	1.8
165.01790	1.4
175.03900	0.7
176.08342	1.3
191.07106	1.7
191.10767	0.9
192.34578	0.5
201.19008	0.6
204.70270	0.6
220.07336	1.9
235.09753	6.5
243.03256	0.7
315.07205	0.9
316.11026	0.9
355.08441	0.8
397.11414	100.0
398.11801	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	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	18.8
71.56956	9.1
76.67779	5.0
79.95618	13.7
85.79715	4.9
96.95905	85.4
122.97517	5.7
133.97585	5.7
140.38123	5.2
185.32578	5.1
221.36330	4.9
229.94034	4.8
251.14224	4.8
350.01596	5.5
360.49701	5.2
397.22638	100.0
398.23193	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	399.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	9.7
57.03131	1.2
57.03336	13.5
59.01262	30.0
67.01778	2.3
67.87368	1.4
69.03333	5.0
71.01266	59.9
71.04560	3.3
71.04906	2.6
72.99197	15.6
73.02821	6.6
75.00755	5.3
75.92551	1.5
83.01278	38.3
84.02063	2.5
85.02840	100.0
86.03140	1.7
87.00755	4.3
89.02335	17.3
89.03854	2.8
93.03373	2.7
95.01272	3.0
99.00777	10.2
99.04387	1.8
101.02336	17.0
103.00253	1.7
111.00786	30.2
113.02351	5.8
115.00296	7.5
115.03921	3.0
117.03351	9.1
119.03407	5.1
121.02834	3.3
125.02354	6.4
129.01865	52.6
133.01358	10.1
134.03662	83.5
135.02916	2.8
135.04021	4.6
137.02345	4.8
139.03752	1.4
143.03426	27.0
145.01384	1.9
147.02917	4.8
149.04921	1.6
149.06001	13.2
153.00079	3.3
154.99811	11.3
160.01640	8.1
160.08859	4.7
161.02330	6.8
161.04515	10.1
162.03085	2.9
163.03914	1.6
173.00867	49.9
173.02354	3.1
173.09599	2.4
175.03961	15.4
175.11243	12.6
178.02644	6.7
187.02454	3.0
191.01942	30.1
193.05028	91.4
194.05380	5.0
205.03481	6.7
215.07103	2.7
218.05771	3.1
219.10239	16.9
223.04584	24.6
233.08171	5.5
251.11382	29.8
257.04712	1.8
261.07700	16.5
349.05704	6.2
349.77844	1.7
367.06741	7.9
399.17047	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	399.1306
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
51.01298	0.2
57.03318	0.3
59.01260	1.8
61.98721	0.3
66.19434	0.2
69.03343	0.3
69.56160	1.6
71.01273	1.2
73.02824	0.5
73.72946	0.2
75.00829	0.3
81.03353	0.7
82.34722	0.2
83.01276	0.4
85.02856	1.5
93.03377	0.6
95.01282	1.3
96.95910	0.5
97.02841	0.6
101.05975	3.0
107.04953	0.3
108.02074	100.0
109.02889	19.2
110.03211	0.6
113.02371	0.3
121.02876	1.2
123.00802	1.0
123.04411	1.1
125.02333	0.8
133.02887	0.8
134.03668	0.4
135.00806	0.5
135.02928	0.3
135.04430	0.8
137.02385	0.4
149.02338	0.3
151.00391	0.3
151.04018	1.4
152.01088	55.8
153.01877	18.3
154.02206	0.7
155.19998	0.2
163.03951	1.2
165.01904	1.3
167.06085	0.9
181.04984	0.2
185.64922	0.3
195.02925	0.3
209.07193	1.6
215.07127	0.3
225.03941	0.3
243.01125	0.3
259.58707	0.3
266.09265	0.3
278.09427	1.4
296.10455	0.3
313.04575	0.3
340.09390	2.2
351.59625	0.2
399.13028	74.5
400.13379	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	401.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.7
57.03336	13.5
59.01261	29.1
61.98701	2.4
68.99676	0.7
69.03340	1.7
71.01267	26.7
71.57117	0.5
71.57516	0.7
72.99200	2.0
73.02832	12.1
74.61965	0.6
75.00759	1.1
81.03339	1.5
83.01281	2.7
83.04916	1.0
85.02840	15.2
87.00770	1.5
89.02338	13.9
93.03352	1.3
95.01289	6.1
95.04923	1.0
97.02868	1.4
99.00793	1.9
101.02344	13.5
103.03902	5.1
107.04937	0.8
108.02074	70.6
109.02864	59.6
110.03214	1.8
111.00839	0.6
113.02350	10.1
119.03414	6.5
119.08566	0.8
121.02879	1.2
121.06496	0.7
122.03599	0.7
123.00798	4.1
123.04424	2.0
123.08062	5.6
125.02386	1.1
135.00829	0.6
135.02916	1.6
135.04442	5.3
135.08061	2.0
139.07552	1.1
143.03400	1.4
147.04480	1.1
148.05179	1.2
149.02411	0.7
151.03937	1.6
151.07590	15.1
152.01085	71.3
152.08008	0.6
153.01877	34.8
154.02176	1.4
159.02962	1.2
160.08896	0.8
161.04501	6.9
161.09636	5.9
163.03938	1.4
163.07596	13.1
164.08044	0.7
165.01828	2.0
165.09138	5.5
168.07883	1.5
169.08620	0.6
173.09654	1.6
177.09157	4.1
179.03401	0.7
179.05664	2.7
179.07036	0.8
179.10722	10.2
187.07527	0.7
188.08368	5.9
189.08838	0.6
203.10744	39.5
204.11079	1.6
205.03563	0.6
221.11827	57.4
222.12125	3.2
232.67532	0.6
243.12019	0.6
275.77505	0.6
288.90414	0.5
297.06104	1.0
315.07336	1.3
341.10822	2.5
371.09955	2.9
383.09894	3.4
383.17331	0.7
401.10938	100.0
402.11261	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	401.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.0
59.01262	69.3
69.03342	1.3
71.01275	12.6
71.55833	0.9
72.99197	1.7
73.02827	2.1
75.00764	2.8
77.03865	1.0
83.01270	2.4
85.02872	5.1
85.21037	1.0
87.00777	2.3
88.91323	1.1
89.02339	11.2
93.03358	1.2
96.95908	1.0
99.00784	1.5
99.04409	1.1
101.02333	6.1
107.04932	13.7
109.02845	1.5
109.39346	1.1
113.02367	6.6
119.03424	3.3
121.02866	5.9
123.04433	1.9
125.02361	2.6
135.02924	3.1
135.04443	4.0
137.02380	3.4
151.03937	2.9
151.11234	1.7
161.02397	3.6
161.04466	1.5
163.03842	1.1
165.01840	2.8
166.02603	1.1
175.11290	1.6
177.01813	1.4
177.09201	1.9
179.03453	100.0
180.03867	4.9
184.20407	1.1
187.67189	1.0
189.01918	1.0
219.10289	2.0
221.11853	2.1
223.80254	1.2
239.09190	1.7
292.15143	1.2
341.10812	5.2
401.12430	5.1
401.17957	4.3
401.27145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1459
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.81688	0.5
54.80762	0.6
55.01765	4.9
57.03327	4.3
58.00491	1.4
59.01261	37.3
61.98718	0.6
68.99718	0.6
69.03332	2.4
69.81249	0.6
70.09642	2.0
71.01268	81.8
72.01617	1.1
72.99197	3.4
73.02834	36.7
75.00757	3.9
80.35514	0.5
81.03341	1.0
83.01272	13.9
85.02838	39.4
85.99978	0.6
86.03127	0.7
87.00774	4.7
89.02335	21.9
94.41151	0.6
95.01279	6.8
96.95890	1.3
97.02853	4.7
99.00780	17.1
99.01437	0.9
99.04411	1.4
101.02341	69.8
102.02664	1.2
107.04958	0.7
109.02839	1.5
111.00768	2.5
113.02350	32.2
114.02717	0.6
115.03928	4.8
119.03420	2.6
125.02368	9.7
129.01846	2.0
131.03409	4.4
135.02905	0.9
135.04410	0.9
137.02441	0.6
138.17981	0.5
139.00256	1.1
141.01915	0.7
143.03424	4.7
149.04480	2.6
151.03822	0.7
153.01884	0.8
159.02940	7.7
161.04492	44.0
162.04881	1.3
164.01082	0.9
165.01855	1.8
179.05579	2.5
180.04219	0.6
186.19263	0.6
191.05551	1.9
195.06750	1.1
195.10173	0.5
205.03531	1.3
207.93381	0.6
221.08307	0.9
233.06662	6.9
239.09320	1.2
239.12859	0.6
269.10345	83.2
270.10641	4.9
293.08838	4.3
313.09326	0.8
324.92621	0.5
341.10815	1.6
401.14597	100.0
402.14944	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	401.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
59.01262	100.0
71.01267	6.6
71.01595	1.1
71.29372	1.2
71.29675	1.2
72.99195	1.6
75.00760	1.2
75.44704	0.8
79.21370	0.8
85.02841	5.6
89.02341	5.8
96.95911	1.1
101.02345	3.2
113.02344	2.8
117.01843	1.5
119.03435	3.1
119.04929	1.0
123.04451	1.5
133.02849	0.9
135.02928	2.1
137.02364	1.3
146.03648	15.8
147.04044	1.1
161.02434	1.0
161.04651	1.5
161.06021	5.8
164.04726	13.2
177.20529	0.8
179.05730	2.2
179.07086	60.7
180.07491	2.8
191.01904	2.3
193.88824	0.9
209.02901	2.4
229.26097	0.8
280.35815	0.8
341.11057	2.6
358.20367	0.8
401.26874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03337	27.2
58.00478	1.5
59.01263	56.6
61.98702	3.9
69.03337	1.7
69.53950	3.1
69.54382	5.0
71.01269	47.2
72.99199	3.4
73.02836	9.7
75.00767	2.6
78.20335	1.0
83.01271	3.7
83.04937	1.6
85.02840	20.7
87.00764	2.7
89.02330	25.4
95.01290	4.6
95.04935	2.0
96.52671	0.9
97.02873	1.2
99.00787	5.6
101.02343	23.1
104.01850	1.0
108.02055	6.6
109.02883	7.7
109.06538	1.2
113.01616	1.9
113.02347	17.0
119.03433	11.4
121.02850	1.5
121.06496	1.7
123.00814	1.0
123.04431	4.8
123.08083	10.2
125.02357	2.7
127.00262	5.2
127.48601	1.0
133.06503	1.9
135.04431	11.8
135.08078	2.9
137.02414	1.2
139.03929	1.1
139.07562	1.7
143.03427	2.2
145.74117	1.0
146.03627	1.5
147.04445	2.1
148.05220	3.4
149.09628	1.4
151.07590	33.7
151.11211	1.4
152.01080	6.7
153.01837	4.1
159.02892	3.1
160.08878	2.5
161.04497	14.9
161.05862	1.6
161.09666	15.2
163.07584	22.0
164.04617	1.4
164.07947	2.2
165.09152	11.3
168.07881	3.0
173.09686	2.5
175.11301	1.0
176.18390	1.2
177.09142	7.7
179.05544	4.6
179.07127	4.5
179.10730	20.9
187.07611	2.9
188.08382	13.2
193.12279	1.6
195.03046	1.3
203.10745	78.9
204.11052	6.6
207.84221	1.3
221.11823	100.0
222.12230	7.1
276.56793	1.0
341.10745	3.9
366.59393	1.0
383.17203	1.0
401.10825	8.6
401.18243	2.0
401.26721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10270	2.2
57.03337	22.6
59.01262	100.0
61.98718	10.9
71.01262	46.8
71.14951	6.2
72.99186	6.5
73.02840	15.2
74.53761	2.5
75.00765	5.8
81.03356	4.0
83.01276	4.9
85.02841	24.9
87.00779	4.9
89.02335	29.3
95.01308	6.2
97.02837	2.9
99.00778	9.8
101.02335	23.5
103.03893	3.1
108.02076	41.9
109.02856	40.7
113.02345	18.6
119.03439	14.0
121.02930	4.3
121.06505	4.1
123.00790	5.9
123.04431	5.7
123.08070	6.7
124.01530	2.5
125.02344	15.8
126.79621	2.4
127.00264	15.6
129.01814	3.6
135.02875	4.5
135.04465	9.6
138.03204	3.6
139.04010	3.0
143.03362	3.8
146.03670	8.8
148.05185	3.6
151.03972	3.2
151.07626	22.4
152.01102	46.3
153.01897	31.2
161.04503	13.0
161.05959	5.4
161.09671	7.1
163.07634	13.5
164.04742	11.3
165.09172	8.3
177.09114	5.4
179.03386	2.6
179.05617	5.4
179.07047	30.6
179.10712	10.4
188.08446	8.0
201.11348	4.6
203.10748	50.5
204.11122	3.8
221.11835	70.8
341.11038	14.7
401.10934	68.0
401.18420	6.3
402.11264	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	401.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24623	7.8
59.01265	57.5
61.98722	7.8
69.03335	9.5
71.01271	35.1
71.58096	8.8
71.58524	10.3
85.02857	7.5
89.02336	39.4
92.56955	6.9
99.04442	10.3
101.02351	23.5
113.02365	13.5
119.03407	17.0
120.93462	6.7
121.02869	99.7
135.04356	9.5
137.06023	44.6
179.05597	16.6
181.06570	9.0
195.99588	6.8
225.05684	11.0
277.00949	7.2
313.07172	18.6
314.94815	6.8
341.10941	100.0
342.11075	9.2
353.25165	7.5
357.06326	8.3
357.52817	7.2
371.25928	55.6
401.08917	48.6
401.27258	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93574	0.6
57.03331	1.7
59.01262	21.0
61.98701	2.1
65.00232	0.7
71.01269	6.6
71.18889	0.7
71.56263	1.3
72.41958	0.7
72.99194	2.4
73.02828	3.0
75.00761	10.5
78.98445	0.7
79.95619	3.4
80.04951	1.1
80.96404	9.6
81.99120	0.7
83.01270	1.0
85.02837	3.0
87.00771	1.9
88.90674	0.6
89.02335	6.7
94.97997	1.3
95.01273	0.8
96.95835	0.7
99.00773	1.1
99.04469	0.7
101.02349	2.5
109.02890	0.8
113.02338	2.1
117.01814	0.8
119.03434	1.2
119.04900	0.7
120.99538	0.8
121.02821	0.8
122.06026	5.1
124.07594	1.4
125.02356	1.9
130.02940	1.0
132.04488	10.6
135.02914	31.0
135.04463	1.2
136.03230	0.7
137.02310	1.4
137.09641	0.9
143.04553	3.1
146.02448	0.8
146.05969	0.8
147.03139	2.1
148.04008	1.8
150.05515	3.0
150.56267	0.6
151.00272	0.9
152.98592	1.0
158.02455	4.0
158.06107	0.7
160.03993	7.2
161.04556	2.2
161.09634	0.9
162.05527	2.2
167.03419	0.8
174.05505	1.3
175.02623	1.5
176.03482	8.5
176.07104	3.1
179.03465	1.3
179.05486	1.4
179.10666	0.8
181.08705	1.4
183.09166	1.2
184.07698	1.6
190.05061	10.7
191.05653	0.9
192.06630	1.0
196.11307	1.2
197.11816	7.5
198.04346	1.2
198.09415	1.3
204.02951	2.5
209.07141	1.3
211.04861	1.0
211.08704	1.1
211.12457	2.9
212.05835	2.0
212.10779	2.8
213.06674	1.1
215.08150	0.6
215.11873	3.9
223.04694	0.7
223.08859	2.4
223.13461	1.4
224.07350	1.2
224.09523	7.9
225.00739	2.3
225.06419	1.2
225.09924	0.9
226.07425	2.6
227.08299	6.5
234.04123	2.4
237.10233	1.1
238.08920	1.4
239.04807	0.8
239.08228	2.5
239.11923	18.3
240.10620	5.5
240.12451	1.6
241.10910	17.0
242.11092	1.3
243.11478	1.0
250.07494	1.4
253.06166	16.2
253.09758	1.7
254.06870	2.3
255.07771	2.9
255.11369	5.8
256.08514	2.5
265.09845	2.7
266.07254	1.2
267.07758	7.0
268.08545	9.5
269.09015	1.5
271.02463	1.5
271.07382	1.0
281.09329	6.6
283.10919	47.1
284.11411	3.8
287.10425	1.1
294.06577	1.5
297.05103	0.9
299.10257	0.8
309.08832	18.5
310.09235	1.7
311.06784	1.3
315.13461	1.9
322.10809	2.2
327.09921	39.4
328.10355	3.3
335.09802	1.2
341.11374	3.5
344.10275	0.8
353.07721	2.8
359.12503	3.2
371.08890	41.9
372.09201	4.5
385.10529	2.0
403.11496	100.0
403.19937	2.8
404.11752	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	403.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00997	0.6
59.01262	7.9
61.98709	2.9
71.01269	3.3
71.56078	0.7
72.99176	1.3
73.02840	0.9
75.00751	1.6
80.04932	0.8
80.96394	1.1
83.01295	0.5
85.02822	1.1
86.62210	0.7
87.00713	0.6
89.02323	1.8
101.02334	1.3
105.01844	1.7
108.04459	0.8
111.04378	0.6
113.02331	0.8
122.06023	4.2
125.02379	1.8
130.02922	1.5
131.03629	0.8
132.04469	10.2
133.04829	0.6
135.02965	3.5
135.04424	0.9
137.02370	1.8
146.02393	0.9
147.03117	2.6
148.03958	2.5
150.05536	1.9
158.02402	4.2
160.03979	5.7
161.04617	0.9
162.05518	1.9
165.01886	0.8
166.02750	0.8
172.11296	0.9
174.05486	0.9
175.02701	3.1
176.03490	9.0
176.07072	1.6
179.03345	1.2
183.09230	0.7
184.07690	0.9
190.05057	13.0
191.05614	1.5
192.03014	0.6
192.06563	1.5
196.11247	0.7
197.11742	0.9
198.04298	1.6
199.08636	0.8
204.03014	2.8
209.07156	1.4
210.07928	0.7
211.06622	0.9
211.08832	0.7
211.12445	1.8
212.05882	2.2
212.10759	1.9
213.06615	1.5
214.39023	0.5
215.11806	2.1
220.02510	1.7
223.04784	0.6
223.08754	1.3
224.07353	1.1
224.09486	7.1
225.08182	1.2
225.09950	0.6
226.07346	1.7
227.08218	4.3
228.05190	0.6
234.04051	1.8
237.10287	1.3
238.08815	1.0
239.08211	1.7
239.11902	15.3
240.10634	4.3
241.06175	0.6
241.09721	4.8
243.07732	0.8
243.11421	1.6
250.07359	0.7
251.04669	0.5
251.12758	0.7
252.05492	1.2
253.06218	14.1
253.09839	1.0
254.06718	2.2
255.07806	3.6
255.11464	3.7
256.08179	0.6
265.06284	0.8
265.09756	2.2
266.07101	1.8
267.07816	5.3
268.08566	8.3
269.09286	2.4
271.07251	2.1
281.09402	5.4
283.10925	37.0
284.11292	3.0
287.10370	1.1
294.06546	1.8
297.05270	1.1
299.06784	1.1
299.10281	1.5
309.08850	13.1
310.09039	1.3
311.06866	1.0
315.13480	1.4
327.09927	37.1
328.10233	3.4
337.78412	0.6
341.11545	4.3
342.11227	0.6
343.14221	0.6
344.10205	0.7
353.07852	1.6
359.12610	4.3
371.08902	26.8
372.09204	2.5
385.10471	2.3
403.11502	100.0
404.07025	1.0
404.11853	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	403.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92287	0.9
54.90494	0.9
55.71003	1.0
57.03333	1.4
57.87984	1.0
57.98681	1.0
59.01003	1.0
59.01266	14.1
61.98716	7.0
63.85473	1.1
71.01264	5.1
71.56680	1.5
75.00748	3.5
80.04939	3.0
80.96401	3.4
83.01264	2.2
85.02827	2.1
87.00774	1.2
89.02338	2.3
95.04896	1.3
101.02325	2.1
104.04975	1.9
108.04467	2.1
109.02860	2.9
113.02327	1.3
120.04451	1.2
122.06053	9.0
124.07526	1.9
125.02333	4.5
130.02896	2.4
132.04478	23.1
133.04765	1.5
134.06085	1.3
135.02930	8.6
135.04457	2.0
137.02330	6.3
142.19363	1.1
146.02449	2.1
147.03134	5.8
148.03964	2.5
150.03178	2.0
150.05504	4.0
158.02414	9.5
160.04015	11.8
161.04651	1.5
162.05548	6.7
164.06966	1.0
165.01889	2.4
167.03329	1.5
172.11180	1.5
174.01749	1.4
174.03194	1.6
174.05519	3.2
175.02490	1.7
176.03490	11.9
176.07124	4.0
179.03479	2.1
183.09239	1.4
184.07657	2.3
190.05067	22.8
191.05656	2.2
192.06566	1.6
196.11322	2.2
199.05061	1.3
199.08733	1.3
209.07190	2.8
211.08655	1.5
211.12370	6.0
212.05927	3.4
212.10789	3.9
213.06583	1.7
215.11865	3.8
220.02258	1.1
223.08710	5.9
224.07266	1.7
224.09509	18.9
225.06374	1.7
225.08128	2.1
225.09918	1.6
226.07454	4.6
227.08246	6.4
232.90149	1.1
234.04086	4.4
235.04961	1.2
237.10272	1.2
239.08220	3.6
239.11916	37.9
240.10576	8.8
240.12457	2.5
241.05122	1.0
241.09816	12.1
250.07574	2.0
252.05470	2.1
253.06183	28.4
253.10066	1.6
254.06755	4.3
255.07777	6.0
255.11403	7.9
256.08502	3.1
265.09866	4.5
267.04956	1.3
267.07788	10.1
268.08578	14.5
281.09473	6.9
283.10941	79.6
284.11301	6.7
285.08627	1.2
287.10272	1.6
309.08826	22.1
310.09052	2.2
315.13528	1.8
327.09930	100.0
328.10123	8.3
341.11572	3.1
344.10342	2.9
353.07816	3.4
359.12518	3.7
371.08890	84.9
372.09335	8.2
385.13098	1.7
403.11475	67.9
403.19864	4.2
404.11679	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	403.1616
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
52.88711	0.5
55.01780	0.7
55.35026	0.6
57.03331	4.5
58.00499	0.9
59.01261	75.1
60.01614	0.7
61.98713	1.5
69.03310	0.8
70.51043	1.9
71.00894	1.1
71.01269	16.0
72.99193	2.0
73.02834	8.1
75.00766	2.2
79.05453	0.7
83.01284	1.8
83.04878	1.0
85.02823	5.3
87.00774	3.3
89.02328	10.3
95.01305	1.2
97.06465	0.6
98.20511	0.6
99.00778	1.0
99.04412	1.9
101.02337	6.7
108.02097	1.5
109.02881	1.1
113.02346	6.4
119.03394	3.9
119.08587	2.5
121.06526	1.3
121.80222	0.5
123.08078	0.8
125.02355	0.9
133.02933	0.6
133.10190	1.1
135.02873	3.2
135.04440	0.8
135.08064	1.5
135.11732	1.1
137.02347	1.3
137.09657	4.7
147.11742	0.6
151.03896	0.7
152.01033	1.0
161.04474	1.6
161.09697	4.0
163.07594	1.9
167.07060	2.0
176.21678	0.6
179.05589	1.4
179.10757	6.3
181.08667	13.3
193.12338	1.3
195.76080	0.6
197.11804	42.9
198.12178	2.3
211.13422	1.1
223.09766	5.1
241.10826	100.0
242.11192	6.6
265.10928	1.1
283.11765	2.0
294.06348	0.7
300.23492	0.5
306.08014	0.6
309.08862	1.2
320.75854	0.7
327.10016	1.0
385.18823	0.8
403.15732	8.3
403.19821	1.5
404.16748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93887	1.3
57.03370	1.4
58.02862	13.2
59.01262	19.1
61.98712	4.5
62.87376	1.1
66.03383	1.4
70.02820	1.5
70.08630	3.5
70.09023	2.8
71.01267	9.8
72.00774	1.3
72.99195	3.2
74.02357	24.9
80.40366	1.1
82.02882	3.2
83.46519	1.4
85.02841	2.4
86.02368	8.7
86.98971	2.0
87.00758	2.4
87.05524	6.6
89.02345	10.3
89.02811	1.9
90.00064	3.7
95.01305	1.5
97.03977	2.4
98.19875	1.8
99.05540	23.0
101.02372	6.9
101.07096	3.0
102.05489	2.9
109.03975	3.8
111.05560	1.8
112.03966	2.1
113.02354	4.4
116.01646	3.3
119.03422	4.8
123.05595	1.5
124.03926	1.3
127.05076	5.1
128.03459	53.9
129.03802	1.8
135.04474	1.4
135.05568	5.5
141.06627	4.7
143.04558	89.3
144.04860	1.7
145.06096	4.3
146.04526	7.4
153.06619	3.1
160.00685	21.0
161.04460	1.7
166.09865	2.2
167.04561	6.1
167.08212	2.1
177.03381	9.3
179.03226	1.5
179.04567	15.0
183.35249	1.6
185.05614	2.8
192.07732	1.6
197.05655	2.9
207.13977	1.3
210.08804	14.5
228.09950	1.4
242.07860	1.9
250.80209	1.3
254.07875	21.6
255.08388	1.6
272.08929	29.7
288.06665	9.9
306.07721	100.0
307.07932	5.6
373.63824	1.5
404.15292	1.8
405.21524	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	404.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16455	0.4
59.01265	8.5
61.98716	100.0
69.69158	3.2
78.91791	0.5
106.37277	0.4
129.88615	0.5
158.30005	0.4
165.84361	0.4
171.10136	0.5
231.89891	0.5
240.98737	0.5
369.13544	0.6
402.52448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60135	1.3
59.01256	11.8
61.98713	100.0
65.74232	1.3
69.92075	1.2
71.56423	2.6
72.22600	1.5
75.00733	1.6
124.78007	1.8
140.26390	1.3
144.46342	1.3
146.24281	1.4
156.77287	1.7
322.20483	1.6
345.14035	3.9
389.24887	5.1
390.81000	1.5
404.27277	7.9
410.47015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23863	0.5
59.01257	1.8
61.98713	100.0
64.04681	0.5
112.25182	0.5
218.32990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02264	0.8
57.03336	8.4
59.01263	16.3
61.98719	0.8
68.79978	0.5
69.03342	57.0
69.63121	2.4
69.63541	1.2
70.03699	0.7
71.01270	5.8
71.01626	0.7
72.97353	0.4
72.99203	0.7
73.02833	1.0
75.18443	0.5
79.01769	11.0
79.02214	0.8
81.03336	4.1
83.01276	1.4
85.02841	3.0
89.02338	4.9
93.03374	1.4
95.01285	6.6
97.02849	31.9
98.03196	0.8
99.04417	6.1
101.02339	5.3
107.01290	39.0
107.04940	1.0
108.02094	14.1
109.02883	5.3
113.02343	3.0
119.03412	2.0
121.02858	5.2
122.03682	0.8
123.00800	11.9
123.04453	1.0
125.02364	79.7
126.02718	2.6
133.02910	2.8
134.03661	1.1
135.00781	2.8
135.04489	2.4
136.01605	6.9
137.02391	5.3
139.04027	0.5
143.03342	0.6
145.02849	1.0
149.02379	3.1
151.00308	72.0
152.00941	3.1
153.01880	18.3
154.02220	0.9
161.02444	0.9
161.04533	0.6
163.03951	7.0
177.01874	12.2
179.03447	0.9
179.05496	0.8
189.01912	0.7
191.03404	0.6
193.04909	0.5
195.03101	0.9
197.06058	4.0
198.06859	0.7
199.07623	3.6
207.02986	1.3
213.05640	1.0
215.07111	1.1
219.03029	0.8
225.15108	0.7
242.05872	100.0
243.06616	58.3
243.09309	0.7
244.06984	3.3
255.06665	0.8
257.08301	0.5
261.13446	0.8
267.06580	0.7
272.70007	0.5
276.63101	0.5
285.07755	5.3
297.06155	21.8
298.06525	1.0
392.88321	0.5
405.12033	21.8
405.21265	9.5
405.26865	0.5
406.12314	2.4
424.86630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1201
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02264	0.8
57.03336	8.4
59.01263	16.3
61.98719	0.8
68.79978	0.5
69.03342	57.0
69.63121	2.4
69.63541	1.2
70.03699	0.7
71.01270	5.8
71.01626	0.7
72.97353	0.4
72.99203	0.7
73.02833	1.0
75.18443	0.5
79.01769	11.0
79.02214	0.8
81.03336	4.1
83.01276	1.4
85.02841	3.0
89.02338	4.9
93.03374	1.4
95.01285	6.6
97.02849	31.9
98.03196	0.8
99.04417	6.1
101.02339	5.3
107.01290	39.0
107.04940	1.0
108.02094	14.1
109.02883	5.3
113.02343	3.0
119.03412	2.0
121.02858	5.2
122.03682	0.8
123.00800	11.9
123.04453	1.0
125.02364	79.7
126.02718	2.6
133.02910	2.8
134.03661	1.1
135.00781	2.8
135.04489	2.4
136.01605	6.9
137.02391	5.3
139.04027	0.5
143.03342	0.6
145.02849	1.0
149.02379	3.1
151.00308	72.0
152.00941	3.1
153.01880	18.3
154.02220	0.9
161.02444	0.9
161.04533	0.6
163.03951	7.0
177.01874	12.2
179.03447	0.9
179.05496	0.8
189.01912	0.7
191.03404	0.6
193.04909	0.5
195.03101	0.9
197.06058	4.0
198.06859	0.7
199.07623	3.6
207.02986	1.3
213.05640	1.0
215.07111	1.1
219.03029	0.8
225.15108	0.7
242.05872	100.0
243.06616	58.3
243.09309	0.7
244.06984	3.3
255.06665	0.8
257.08301	0.5
261.13446	0.8
267.06580	0.7
272.70007	0.5
276.63101	0.5
285.07755	5.3
297.06155	21.8
298.06525	1.0
392.88321	0.5
405.12033	21.8
405.21265	9.5
405.26865	0.5
406.12314	2.4
424.86630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54634	1.5
55.01766	4.6
56.83880	1.2
57.03337	7.4
58.00486	2.6
59.01267	65.4
61.98710	3.5
69.03348	2.9
70.49649	1.2
71.01270	70.5
71.04912	1.5
71.55578	1.6
72.99197	9.2
73.02835	19.3
74.99007	1.8
75.00764	11.6
81.03359	2.9
83.01292	9.7
83.04942	1.4
85.02847	30.3
87.00770	8.8
87.04399	1.4
89.02332	30.8
93.03304	1.8
95.01291	5.5
96.95871	2.0
97.02824	1.6
97.06467	2.0
99.00779	8.6
99.04456	1.8
100.28046	1.4
101.02347	49.6
107.04929	1.3
108.02091	2.1
108.04372	1.5
109.02863	2.2
111.00805	1.6
111.08080	2.0
113.02360	26.9
115.07543	1.5
119.03401	10.9
119.04897	2.7
121.02891	3.3
122.06052	1.8
123.00846	3.1
123.04433	2.1
123.08066	3.4
125.02378	2.7
125.09662	1.4
129.01816	1.8
131.03371	1.5
133.02875	1.4
134.03580	1.6
135.02950	1.3
135.04463	1.9
137.02390	4.0
139.03905	1.5
140.14952	1.3
141.92799	1.3
143.03447	7.6
145.02991	1.5
146.02422	4.4
147.02995	2.3
148.04015	1.5
149.02386	2.4
149.05899	1.4
151.00299	2.8
151.04008	2.2
151.11208	17.4
159.02983	6.6
161.04506	33.9
163.03951	2.9
169.12280	2.6
174.01831	2.1
176.03531	4.1
176.07140	1.9
177.01944	1.4
179.05573	23.8
181.04991	2.1
193.05092	4.1
195.13878	20.0
198.05573	2.1
199.07635	3.1
205.03606	1.9
206.04662	1.5
209.04640	1.4
209.06645	1.9
210.05704	3.3
213.02982	1.5
213.07999	1.3
213.14948	45.8
214.15366	2.3
215.72948	1.3
225.14890	2.4
226.05109	5.9
226.07179	1.3
227.06068	2.7
228.06664	9.9
240.05263	2.9
243.07811	4.9
243.16052	15.8
253.09991	1.6
256.06171	6.3
256.09750	8.4
257.07178	3.1
258.06546	8.7
265.09833	1.9
267.07822	7.4
267.11292	4.1
268.09930	1.6
271.10959	3.1
273.08838	17.7
281.09518	2.9
283.11023	6.3
284.08380	2.1
285.09933	1.7
285.12720	2.8
286.10913	7.0
293.09454	2.5
295.07306	5.1
296.08154	5.8
299.10406	35.4
300.10840	4.3
301.11832	7.0
311.10507	12.2
325.08548	1.9
329.11490	100.0
330.11734	9.8
343.09543	10.1
343.13202	2.2
344.09647	1.8
345.15881	1.9
355.10214	2.3
369.19446	2.3
373.10446	13.1
375.11990	3.5
387.20297	13.2
405.12836	5.1
405.17191	3.8
405.21503	43.5
406.06277	2.7
406.22003	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	405.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12980	0.5
57.03350	0.6
59.01265	22.7
60.38453	0.5
69.24493	4.4
69.24905	1.7
71.01269	10.1
72.99199	1.3
73.02832	2.7
75.00763	1.1
85.02852	3.2
87.00762	0.7
89.02339	7.1
95.01294	0.8
99.00773	0.7
101.02354	6.9
112.70592	0.6
113.02354	4.4
116.77145	0.5
119.03403	4.0
125.09692	0.8
137.02425	0.5
137.09860	0.6
139.11143	0.8
143.03429	1.2
149.02345	0.7
150.03142	2.8
150.05531	1.3
151.11186	0.7
152.44432	0.6
159.02910	0.6
161.04515	3.4
162.05562	1.3
163.11212	1.0
164.47112	0.6
165.05504	2.3
172.70746	0.6
179.03450	0.9
179.05576	2.0
181.12306	1.1
183.06810	0.7
183.10220	5.6
195.06654	2.5
198.05568	0.9
199.07683	1.4
212.10666	0.6
224.10765	1.0
225.06673	0.7
225.11458	0.6
225.15013	1.1
226.05095	1.7
226.07324	0.6
227.05852	2.0
227.08063	0.8
228.06668	2.3
237.06802	0.7
237.10327	0.6
238.07486	2.4
239.08176	1.3
240.05258	0.6
241.07466	1.4
242.11249	0.6
243.07855	0.6
243.11476	1.3
243.16029	3.6
251.08304	1.1
252.09138	0.7
253.07500	0.7
253.09860	2.7
255.07715	2.3
255.11475	1.8
256.06271	1.5
256.10010	2.8
257.06952	1.5
257.09772	0.6
258.06421	1.3
263.08334	1.7
265.06665	1.2
265.09933	4.0
266.06863	4.1
267.07803	10.5
267.11426	3.2
268.10089	1.4
269.09308	1.1
273.08862	2.3
275.08359	0.9
277.06314	0.8
278.07022	2.3
279.07718	2.2
280.08459	0.9
281.09375	31.4
282.09714	2.8
283.07825	1.1
283.10941	4.8
285.04007	1.0
285.09784	0.7
285.12552	8.0
286.10950	2.3
292.08398	0.8
293.09369	15.1
294.09888	0.9
295.07309	9.8
296.08084	13.1
297.08563	1.3
299.10309	0.8
311.10446	100.0
312.10754	9.4
327.06430	0.6
329.11496	28.9
330.11749	2.6
345.15579	0.8
373.10501	7.2
374.10880	1.3
387.12314	0.6
405.08423	0.9
405.12894	3.3
405.21509	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	1.0
59.01263	79.9
71.01269	7.0
72.99209	0.9
73.02833	3.3
74.32027	0.8
79.82887	1.0
85.02837	3.5
89.02333	4.7
95.01330	2.2
97.71001	0.9
99.00793	1.2
101.02346	4.2
113.02351	3.6
119.03405	3.3
125.02355	1.5
125.09644	2.2
129.21140	1.1
139.00276	1.5
151.00270	1.2
153.09232	1.0
161.04549	2.3
165.09135	3.3
166.99898	1.2
178.99951	0.9
183.10226	100.0
184.10513	5.3
191.34866	1.0
194.99409	1.8
225.11311	1.9
243.12395	6.6
251.36734	0.9
267.07727	1.0
281.09485	2.6
285.12677	1.4
293.09232	2.0
296.08029	1.0
311.10434	8.8
312.10709	1.3
329.11407	2.9
332.17563	1.0
345.15253	1.1
405.21591	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	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
59.01263	100.0
60.01594	1.1
61.98711	1.5
65.59027	0.4
69.03345	3.7
69.25044	2.1
69.25475	3.0
69.42252	0.6
69.64713	0.4
71.01266	5.9
71.04908	0.8
72.01633	0.5
73.02835	2.0
83.01313	0.5
85.02839	3.1
87.00761	1.0
89.02341	3.9
95.01276	0.8
96.95918	0.5
101.02350	4.0
111.08089	1.0
113.02351	3.4
113.12676	0.5
119.03427	2.5
123.08092	0.7
126.12442	0.4
127.07556	0.6
139.11220	6.3
143.03500	0.6
143.04906	0.7
151.00256	0.6
161.04547	2.2
179.05634	1.0
183.10223	62.3
184.10646	2.4
197.11926	0.7
199.03911	0.5
215.03516	1.7
225.11458	2.4
227.06012	0.7
228.06879	0.6
243.03056	1.7
243.12352	1.0
244.09872	1.7
255.07834	0.6
265.09964	0.8
266.07047	0.9
267.07889	1.9
267.11441	0.9
281.09338	7.6
282.09866	0.6
283.11011	1.0
285.12640	1.6
286.11038	0.9
293.09366	3.6
295.07410	1.7
296.08026	2.3
302.12042	0.6
307.88107	0.5
311.10437	22.8
312.10867	2.3
317.55179	0.5
329.11502	7.7
330.12024	0.8
345.15729	1.7
373.10535	2.1
405.02670	0.8
405.12610	0.7
405.17111	1.4
405.21582	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88839	0.8
57.03334	100.0
58.03665	1.4
59.01261	73.2
64.61318	0.8
69.46458	6.2
71.01261	19.3
73.02831	11.3
80.26856	0.9
81.03327	1.1
83.01270	4.1
85.02841	3.1
89.02331	18.1
90.07906	0.8
95.01275	1.7
98.19730	1.5
99.04411	68.1
100.04756	1.5
101.02337	34.3
102.02649	1.0
113.02357	8.0
113.05966	0.9
115.79558	0.9
119.03397	7.5
123.04410	4.2
125.02358	20.9
131.03383	1.2
141.05493	1.9
143.03403	3.3
149.04518	2.2
153.05440	1.6
161.04485	5.1
179.05568	5.1
198.06680	1.1
261.13452	3.2
263.31195	0.9
295.04892	0.9
343.17502	1.0
405.17661	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44744	0.5
57.03335	1.4
58.00467	0.6
58.84594	0.5
59.01261	61.9
60.01601	0.7
69.68524	3.7
71.01273	5.4
72.54610	0.5
72.99179	0.8
73.02838	5.3
85.02835	2.5
87.00758	0.9
89.02344	4.7
95.01268	0.8
97.86995	0.5
98.20494	1.1
101.02358	3.4
113.02361	3.9
119.03411	3.0
121.10132	2.9
125.02362	0.9
139.11215	14.2
140.11520	0.7
161.04494	1.9
165.09180	1.5
168.00578	1.0
179.14107	0.7
181.12299	8.8
182.12592	0.7
183.10223	65.4
184.10535	3.0
199.13411	5.4
225.11320	7.6
243.12393	100.0
244.12689	6.2
249.11346	1.0
281.09402	1.2
285.13336	2.6
295.07193	1.0
311.10400	5.1
329.11584	2.0
336.01865	0.6
345.15503	1.0
373.10373	0.7
405.05188	1.3
405.17419	7.6
405.25665	0.8
406.18008	0.8
407.07654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.1
57.03334	47.7
58.00476	1.0
59.01262	64.6
69.41391	3.3
71.01266	18.9
72.99203	1.9
73.02833	5.9
74.88470	0.4
75.00797	0.6
75.95254	0.5
78.84322	0.4
81.03339	0.7
83.01289	3.1
85.02840	7.3
87.00761	1.5
89.02334	14.5
95.01285	1.3
95.04928	0.8
99.00797	1.1
99.04414	42.4
100.04758	0.7
100.44360	0.4
101.02338	25.0
113.02352	7.9
118.32738	0.5
118.71144	0.5
119.03418	5.2
125.02366	10.5
135.03001	0.6
141.09203	0.5
143.03444	2.3
149.04533	0.6
159.02824	0.5
159.04440	0.6
161.04468	4.5
163.11229	3.2
179.05586	1.2
181.12302	22.8
182.12593	1.2
207.10176	1.0
225.11317	100.0
226.11650	5.2
243.06624	6.9
243.12337	1.9
261.13474	16.1
262.13791	0.7
303.14502	1.9
311.10425	0.9
329.11276	1.6
330.11438	0.6
343.17630	1.3
373.09848	0.6
405.17682	43.9
406.18149	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94767	0.6
55.01773	0.8
57.03339	100.0
58.00473	1.4
58.03673	1.8
59.01266	74.5
60.01595	0.9
70.75581	1.6
71.01269	21.7
72.99194	1.1
73.02840	11.7
81.03368	1.5
83.01271	4.9
83.01630	0.4
85.02853	3.6
85.08733	0.6
86.05183	0.6
87.00774	0.6
89.02335	17.5
89.94840	0.5
91.72438	0.7
95.01328	1.1
99.04421	73.6
100.04779	1.7
101.02348	35.9
103.34505	0.6
112.51208	0.5
113.02346	9.3
113.06071	1.0
119.03408	6.4
123.04441	5.2
125.02374	21.0
131.03442	1.4
135.39626	0.5
141.05550	0.8
143.03465	3.4
149.04564	1.9
161.04514	6.1
166.52220	0.5
179.05542	5.1
198.06949	0.6
201.07651	0.8
261.13535	2.2
291.59509	0.6
303.14539	1.4
405.12180	1.5
405.17929	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	405.2137
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01768	1.8
57.03320	0.9
58.00464	1.2
59.01261	27.4
61.57899	0.3
61.98702	2.2
69.39707	0.9
69.40118	1.6
71.01266	20.9
72.01570	0.3
72.99187	1.7
73.02834	3.7
75.00741	0.3
79.95627	1.6
83.01269	2.9
85.02841	7.3
85.06480	2.5
87.00760	1.4
89.02335	10.8
95.01267	1.3
96.95920	1.4
97.06428	0.6
99.00774	3.5
101.02342	12.7
111.00781	0.4
113.02344	6.9
113.09668	0.3
119.03408	3.9
120.35905	0.3
123.18803	0.3
125.02338	0.4
135.02934	0.3
137.02338	0.3
142.29463	0.3
143.03368	0.3
149.04486	0.3
155.14352	6.8
159.02858	0.5
161.04485	1.2
179.05544	0.7
179.14357	0.3
181.12338	0.5
181.15947	3.2
199.13370	13.9
200.13631	0.4
225.14926	3.6
243.06573	0.7
345.19058	0.5
387.20456	1.0
405.21317	100.0
406.21722	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	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01759	0.9
56.89136	0.3
57.03339	0.6
58.00480	1.9
59.01263	46.5
60.01598	0.5
61.98706	1.5
69.69611	0.3
71.01267	45.0
72.01592	0.5
72.99180	1.7
73.02841	1.4
73.18943	0.4
78.95800	0.6
83.01270	1.6
84.02112	0.3
85.02836	5.3
85.80731	0.3
87.00769	0.9
89.02335	25.3
90.02656	0.4
93.54196	0.3
95.01270	1.8
96.95900	0.3
98.19652	0.5
99.00777	0.7
99.04388	0.3
101.02344	16.5
108.02072	8.5
113.02351	9.9
115.02367	0.4
119.03406	10.3
120.99602	0.7
123.04404	0.4
123.08062	0.3
127.11198	1.4
131.03421	0.8
135.02914	0.4
137.02332	0.4
139.11212	0.7
143.03410	1.1
149.04538	0.7
152.01086	7.2
153.12798	2.8
155.14366	0.4
161.02428	0.4
161.04482	1.4
167.03445	0.7
179.05638	1.7
181.12294	0.8
181.15907	0.4
199.13371	5.6
200.13779	0.4
207.13889	0.7
225.14896	2.6
227.12129	0.5
243.06659	3.1
243.16026	1.3
243.62639	0.3
255.11421	0.4
267.11353	0.4
273.07718	1.1
285.12408	2.3
317.15115	0.6
329.11700	0.8
333.57196	0.3
387.20181	2.3
405.21347	100.0
406.16599	0.6
406.21692	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	405.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.20880	19.1
61.98724	41.3
85.34387	16.8
85.34929	19.0
96.91889	19.1
98.19779	46.3
126.74568	17.3
129.36395	17.4
129.70354	19.2
132.17853	18.3
141.67873	22.4
175.80019	16.6
203.52635	17.7
209.11754	24.0
213.75128	19.4
218.57802	20.2
233.31624	18.8
384.70535	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	405.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01264	3.2
61.98716	5.0
63.86927	0.4
65.54375	0.4
69.03335	0.4
69.40977	2.7
69.41393	0.7
70.99587	0.4
71.01286	0.5
80.30936	0.4
81.03327	0.5
83.04910	0.9
91.65842	0.3
95.04913	0.4
97.06474	0.6
109.06479	0.9
111.08047	1.1
119.04902	0.4
126.97212	0.4
129.53966	0.3
133.06500	0.5
135.08069	0.9
137.09627	0.8
167.14331	0.4
181.12465	0.5
207.17616	0.6
209.54140	0.4
211.13416	0.7
211.16954	0.5
213.14893	0.8
221.15375	0.4
231.17476	0.6
232.08559	0.4
239.16516	3.2
239.20401	0.4
241.18089	3.6
247.13455	1.1
247.16968	0.5
249.18546	0.5
253.18307	0.6
261.18677	0.4
263.20004	0.5
265.18207	1.0
266.18491	0.4
267.19702	2.2
268.04208	0.4
271.20810	0.6
275.16617	1.5
277.17902	0.4
279.19611	0.5
289.21606	0.4
293.21378	0.4
315.26962	2.5
317.28534	0.8
325.25458	4.2
326.25159	0.4
333.28046	2.0
341.24805	1.4
343.26517	3.2
344.26620	0.7
351.23190	1.0
359.25964	2.8
361.27551	4.0
362.28146	0.4
369.24359	3.6
377.27008	1.1
387.25446	8.1
388.25629	0.7
405.26514	100.0
406.26831	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	405.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
59.01266	4.1
69.32155	2.6
69.32565	0.9
71.01270	0.7
71.04921	0.4
75.79081	0.3
83.04919	1.3
95.04938	0.4
97.06490	0.8
101.82070	0.3
106.04121	0.4
107.08560	0.5
109.06509	1.0
111.08056	1.2
113.85714	0.4
121.10184	0.4
135.08055	1.0
137.09644	1.0
181.12408	0.9
183.13943	0.4
197.11823	0.8
203.14374	0.5
209.19089	0.4
211.13406	1.2
213.14989	2.2
221.15501	0.4
223.13411	0.4
225.14923	0.5
231.17526	0.7
237.14999	0.7
239.16542	2.6
241.18185	1.6
245.19089	0.4
247.13443	0.5
259.16959	0.5
261.18582	0.4
265.18152	0.8
267.19809	0.9
275.16635	0.8
291.19809	0.8
301.54269	0.4
301.57593	0.4
313.25439	0.6
315.27075	2.5
317.28549	0.6
323.22406	3.4
325.25394	4.1
333.28079	1.7
341.24878	2.4
343.26428	4.3
344.26813	0.6
351.23257	1.0
359.25961	4.0
360.26328	0.4
361.27487	2.6
362.27924	0.6
369.24478	4.0
370.25116	0.6
377.27197	1.2
387.25497	8.3
388.25769	0.9
405.26547	100.0
406.26880	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	406.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.4
59.01261	1.9
61.98714	0.9
71.01268	0.4
75.00748	0.2
76.18334	0.1
81.03378	0.2
82.88956	0.2
83.01270	0.3
85.02891	0.2
87.04441	0.3
89.02385	0.2
98.19757	0.4
99.04410	0.4
101.02365	0.3
108.02086	0.2
109.02860	0.3
120.04445	0.3
121.02891	0.3
123.04445	0.4
125.02356	2.0
126.02702	0.3
131.03430	0.4
133.02855	0.2
134.03693	0.2
135.02882	0.3
135.04413	0.2
136.07591	0.3
137.02345	0.2
149.02415	0.8
149.05989	0.2
151.00275	0.4
153.01918	0.2
161.02309	0.3
161.04466	0.2
165.00089	0.7
166.00433	0.4
167.01736	0.2
167.03450	0.9
168.03778	0.6
174.09302	0.1
178.99843	0.2
187.06314	0.2
188.10750	0.2
192.99646	1.6
193.99916	0.7
201.07848	0.2
215.05898	0.3
215.86488	0.2
216.10326	0.7
217.08705	0.7
223.04231	0.6
228.06679	2.1
229.07446	17.6
230.07794	1.2
237.99213	0.2
243.08960	0.2
244.09805	100.0
245.10144	7.1
255.03011	0.2
291.45401	0.1
299.02097	0.3
319.02783	0.7
320.03244	0.3
348.15930	0.2
381.06030	0.2
406.15094	1.4
407.03473	0.2
407.15176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87798	0.2
59.01257	0.8
61.98717	100.0
62.98427	0.4
65.57024	0.2
66.04415	0.2
69.85252	0.4
69.85652	1.2
74.73736	0.2
92.14640	0.2
98.20621	0.4
106.27107	0.2
106.31136	0.2
106.84068	0.2
107.68748	0.2
116.44360	0.2
118.64003	0.2
153.60211	0.2
170.82422	0.2
270.86658	0.2
298.31219	0.2
356.50574	0.2
407.33438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.5
59.01260	15.1
60.47906	0.8
61.98720	1.1
64.05769	0.9
65.00216	1.5
65.99747	1.3
69.61057	5.9
71.01259	4.4
73.02838	2.3
79.95622	0.9
82.02867	10.9
83.01305	2.1
85.02835	7.3
89.02354	2.6
93.03363	1.5
95.17506	0.9
98.20551	1.3
101.02363	3.0
107.01279	1.4
113.02322	1.2
116.46551	0.8
119.03402	1.2
123.04470	1.0
125.02392	2.9
135.02922	1.2
135.04483	1.9
138.05582	1.5
146.36922	1.2
146.43559	1.0
151.00296	2.2
152.01060	1.5
160.07669	2.4
161.04655	1.4
162.05550	1.7
164.03491	5.5
165.01862	2.0
166.02693	2.3
167.03290	1.2
171.10231	4.4
172.07649	1.1
173.04559	1.2
174.05661	1.9
174.09201	1.5
178.99828	2.5
179.03435	4.9
186.05627	2.0
188.07135	3.9
189.03006	1.4
189.06631	1.2
190.01323	1.3
191.01936	2.6
191.05772	4.6
195.06503	1.2
200.03491	1.3
201.09273	1.0
202.08733	5.4
215.04694	2.9
216.05386	4.9
216.06924	2.5
216.10306	3.0
217.02669	7.5
217.06096	10.4
217.09694	1.0
218.06775	2.2
225.03069	1.0
227.13013	1.9
228.06725	3.1
229.06091	9.2
230.03250	2.1
230.06966	3.3
230.64003	0.9
231.07771	14.8
232.08424	4.4
241.06216	3.7
242.03267	5.0
243.04149	24.4
243.07823	4.0
244.04892	11.9
244.09785	15.2
245.09407	6.2
245.49107	0.9
248.09264	4.7
249.05336	2.6
254.06955	1.0
255.02960	1.5
256.05072	4.8
257.05707	20.5
257.09570	2.0
258.06470	6.2
259.07315	50.2
259.10864	8.8
260.07410	2.0
260.11581	1.3
269.09399	4.0
270.07806	1.8
271.07312	26.7
272.07886	2.9
285.08765	3.9
287.10428	79.0
288.08798	4.8
288.11115	3.2
289.08670	1.6
291.09933	13.2
297.05490	1.1
298.05887	7.9
298.56055	1.4
303.10013	2.5
307.02744	1.3
313.08353	100.0
314.08813	7.7
317.08051	1.5
319.13086	2.3
329.10492	1.8
331.09393	56.4
332.09619	5.5
335.08856	1.8
344.12912	1.3
345.10941	7.0
347.17123	2.7
357.07361	2.3
359.15274	2.6
375.08435	21.0
376.08859	3.0
389.10123	5.5
407.11090	70.9
407.19568	3.7
408.11475	6.7
433.05701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	24.2
60.48803	1.5
61.34661	1.7
65.99724	2.2
69.33218	7.1
69.33647	9.8
71.01265	7.1
72.99196	2.3
73.02838	1.8
82.02876	6.8
83.04939	2.9
85.02828	8.2
86.02609	1.6
87.00761	2.7
89.02327	6.0
92.64000	1.7
101.02354	5.1
113.02379	3.1
119.03427	2.0
119.04891	2.1
125.02403	2.9
135.04419	3.9
137.02385	1.9
159.04491	7.4
160.04036	2.1
161.04535	3.5
164.03488	6.1
165.01932	2.2
174.01927	1.9
179.03561	3.8
181.76591	1.7
188.07130	4.5
191.01930	1.7
200.07114	1.9
215.04530	1.9
216.05167	4.0
216.06927	4.3
216.10286	2.6
217.02591	4.9
217.06204	9.4
218.06912	2.6
229.06065	9.5
230.03432	2.8
230.07033	5.3
231.07695	11.7
232.08423	4.2
241.06169	3.8
242.03447	3.6
242.48364	1.9
243.04164	20.0
243.07793	4.5
244.04782	9.5
244.09831	10.7
245.04738	7.5
245.09373	6.3
248.09297	2.7
249.05290	3.3
254.07054	3.0
256.04962	4.0
257.05734	21.0
257.08588	2.9
257.09131	2.7
258.06485	5.9
259.07309	43.1
259.10776	8.4
260.07504	2.7
269.09595	4.2
270.07190	2.0
271.07251	23.1
272.07806	2.4
285.08817	5.8
287.10410	62.0
288.08881	6.5
291.09988	9.0
295.07462	2.0
303.09836	2.3
312.52454	2.1
313.08368	100.0
314.08582	8.8
331.09387	53.8
332.09772	5.1
345.10825	9.9
347.17133	5.6
357.07632	3.3
375.08466	22.6
389.10065	6.2
407.11093	79.8
407.17548	5.4
408.11429	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	407.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.5
57.03336	100.0
58.03671	2.0
59.01262	75.7
60.01591	0.8
61.98709	2.4
69.03336	0.6
70.98072	1.2
71.01265	13.2
72.99205	1.6
73.02830	6.8
74.95249	0.6
75.00782	0.6
78.95805	1.3
81.03337	0.9
81.22415	0.6
82.42216	0.6
83.01275	3.8
85.02829	6.8
87.00784	1.5
89.02349	1.7
93.03458	0.6
95.01303	1.4
99.00777	1.9
99.04415	74.6
100.04794	1.7
101.02341	32.3
101.06019	1.7
101.09703	0.7
102.02677	0.9
109.02879	1.0
113.02356	5.2
115.07573	1.8
125.02364	21.4
125.03247	1.2
131.03424	3.2
133.02893	1.2
134.03685	1.8
135.02936	1.6
135.04449	2.3
137.02400	1.0
140.22968	0.6
141.02974	0.6
143.03458	2.1
149.04564	2.5
159.03047	1.4
161.02397	0.7
161.04515	5.5
171.10258	0.7
177.01933	0.8
179.03519	1.5
202.06453	0.7
205.12341	0.9
209.11789	1.2
211.13431	1.4
223.04286	1.4
231.10336	1.0
257.08374	1.9
263.15027	26.1
264.15460	1.7
275.09421	2.3
299.02139	0.9
305.16174	2.2
375.27304	0.8
377.28738	1.6
391.26605	0.9
392.26782	0.8
407.07861	0.8
407.19083	6.0
407.29688	11.6
408.19717	0.8
408.29929	1.5
410.27838	0.7
434.56387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.4
57.03336	100.0
58.00469	0.9
58.03658	1.5
59.01263	88.9
59.47216	0.7
60.01590	1.1
61.98714	1.3
65.29153	0.6
69.03349	2.4
70.85561	1.9
71.01268	18.1
71.04930	0.6
72.99187	1.8
73.02838	6.7
75.00779	1.1
79.95623	1.6
80.31405	0.6
80.62346	0.6
81.03368	2.3
83.01272	5.4
85.02834	10.4
87.00767	1.2
89.02336	3.1
95.01295	1.2
96.95913	20.4
97.02892	1.4
99.00765	3.1
99.04417	92.0
100.04762	2.3
101.02341	35.8
102.02674	0.6
107.01313	0.9
109.02860	1.1
111.00780	0.9
113.02362	7.2
119.03389	1.5
119.04934	1.0
123.04394	1.0
123.08080	0.8
125.01443	1.4
125.02366	28.5
125.05991	1.7
126.02671	1.9
131.03415	1.3
131.66858	0.6
134.03703	1.1
135.02979	1.4
135.04488	1.5
137.02357	1.0
143.03453	2.3
149.04501	1.6
149.06030	0.6
151.00308	1.5
152.04283	0.7
159.02951	0.9
161.02391	0.9
161.04501	5.7
165.09171	7.9
179.03511	0.9
185.11755	1.8
191.07095	0.8
199.03926	1.1
206.06003	1.0
209.08176	44.0
210.08446	1.9
214.02783	0.9
225.05612	0.9
227.03450	2.5
228.04205	0.9
231.10275	0.9
242.05856	1.1
243.02985	2.3
243.06561	1.6
244.06580	1.3
252.30746	0.7
255.03003	10.9
256.03735	3.4
257.04587	2.3
257.08047	1.4
263.15057	33.4
264.15280	1.2
275.09225	1.1
283.02536	1.8
285.04224	2.1
285.11450	2.5
305.04816	0.8
305.16229	4.0
341.50995	0.7
345.19598	1.3
347.20969	1.3
371.13541	8.1
372.14136	1.0
407.07928	27.9
407.19025	8.2
407.29785	1.2
408.08179	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35135	0.9
57.03335	100.0
58.03667	2.6
59.01262	90.0
61.98714	2.3
68.99699	0.8
69.03339	2.6
69.38567	8.3
71.01267	15.7
72.99212	1.9
73.02832	6.8
75.00764	2.3
78.15480	0.8
78.95812	1.1
79.95618	2.0
81.03325	1.7
83.01259	4.7
85.02832	12.5
87.00777	1.4
89.02325	3.5
95.01263	1.1
96.95913	24.4
97.02838	1.1
98.20557	1.8
99.00778	2.8
99.04416	79.6
100.04736	1.5
101.02341	41.6
102.02659	1.1
109.02857	1.5
109.16274	0.9
113.02357	8.4
119.03405	1.2
123.04424	1.1
124.17048	0.9
124.46678	0.9
125.02357	26.4
126.02720	1.2
129.01788	1.0
131.03409	2.9
135.02917	2.8
135.04488	1.6
143.03407	2.1
149.04503	2.8
151.00285	1.1
156.98740	1.0
159.02939	1.9
161.02429	1.7
161.04515	7.8
163.03957	1.5
165.09177	4.7
185.00940	1.0
185.11792	2.1
203.10799	1.0
209.08182	28.6
209.11829	1.5
210.08569	1.4
213.05566	1.5
227.03484	4.1
228.04227	1.8
231.10249	2.1
243.03099	2.8
255.03024	13.9
256.03778	6.4
257.04532	2.8
257.08124	1.8
263.15042	30.7
264.15463	2.0
269.04590	1.8
275.09402	1.2
283.02258	1.2
285.04153	3.6
285.11215	1.8
291.10828	1.4
297.03992	1.7
305.16281	2.6
345.19165	1.2
347.20746	1.2
371.13510	4.0
407.07907	31.4
407.18887	6.9
407.30014	1.2
408.08286	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	407.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	5.2
59.01263	35.5
69.03338	5.7
71.01256	2.9
71.04911	7.4
71.57498	2.8
79.13960	1.7
80.02594	2.2
80.91587	2.5
81.03339	3.0
83.04919	4.6
85.02856	2.3
85.06496	2.6
87.04439	2.4
91.05418	2.0
93.70339	1.8
95.04929	6.3
96.95924	4.1
97.02855	3.8
97.06481	5.7
101.75079	2.0
107.04959	2.3
109.06498	30.5
110.06834	2.0
127.07575	3.2
137.34946	1.9
141.09081	2.1
141.90152	2.0
151.11240	7.4
165.12735	2.4
167.10757	3.5
169.12283	5.5
171.10201	2.5
181.12279	5.8
183.78416	2.2
193.12244	3.8
197.11804	33.0
199.13348	3.4
211.11525	3.3
211.13367	27.2
213.22478	2.0
217.08476	2.6
219.10016	100.0
220.10361	5.5
221.11598	7.7
223.09570	3.4
233.11662	14.7
235.13394	4.1
237.09814	10.8
237.14859	3.5
249.11128	8.6
251.11362	4.7
259.13126	2.4
261.11166	2.5
264.09790	5.2
271.13266	10.7
289.18069	2.7
290.18973	2.0
293.12567	6.5
307.19043	4.4
311.16275	2.5
325.20270	92.1
326.20786	12.8
329.17499	4.8
347.17969	13.8
348.17197	2.0
383.20178	1.9
397.83609	2.4
407.20731	4.8
407.29742	11.8
420.15689	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2212
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01257	1.0
60.21573	0.3
62.96294	0.4
68.43719	0.3
70.32562	0.6
70.32959	0.7
78.95794	100.0
89.82310	0.3
95.96344	0.3
96.96870	8.7
96.97496	0.5
105.44381	0.3
113.05972	0.3
117.04790	0.3
120.74718	0.3
150.97946	1.7
152.99525	89.3
153.99849	1.2
171.00592	67.2
172.00951	0.9
281.80130	0.3
293.50125	0.4
345.65894	0.3
407.22061	3.6
408.22699	0.5
429.42712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	79.7
61.98718	100.0
65.84029	9.0
69.46925	46.6
69.47348	31.8
83.92658	11.5
89.02350	11.1
107.06164	10.3
110.76929	8.7
121.06496	9.2
146.63855	15.8
161.66258	10.8
194.73273	8.6
385.82758	11.8
407.16510	31.3
432.62854	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	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50956	0.4
59.01257	1.8
61.98714	100.0
69.36483	1.0
69.36897	2.8
69.82706	0.4
77.89039	0.5
78.95801	0.5
98.19813	0.9
113.22259	0.4
115.91962	0.5
116.92834	0.4
133.53247	0.5
150.82549	0.4
217.67152	0.4
283.22821	0.4
310.21301	0.5
322.10849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
60.62654	0.8
61.98718	100.0
98.20596	1.8
126.81508	0.8
160.38933	1.0
186.61723	1.0
208.93568	1.0
348.37549	0.9
349.18265	0.9
417.89279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27582	0.3
59.01262	1.2
61.98715	100.0
69.29536	2.9
69.29939	0.6
90.62707	0.3
104.08016	0.3
119.58502	0.4
172.42924	0.4
174.01241	0.3
176.01071	0.3
407.29636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.1
61.98715	100.0
65.76750	0.7
71.57918	0.9
74.12181	0.7
109.01363	0.8
119.13908	0.8
119.50729	0.7
122.00981	0.9
406.84830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
55.29546	0.5
57.03321	2.2
58.00483	2.6
59.01263	47.2
60.01595	0.6
62.20604	0.5
68.99711	4.4
69.03352	3.2
69.77736	0.5
70.34466	2.1
71.01267	60.8
72.01601	0.6
72.99196	25.8
73.02446	0.7
73.02833	10.2
73.03233	0.6
73.99539	0.7
75.00759	34.4
81.03374	0.7
83.01270	5.4
85.02840	14.8
85.99992	1.2
87.00768	100.0
88.01108	2.5
89.02334	49.5
90.02654	1.1
95.01292	8.7
96.95895	0.6
96.99248	0.8
97.02850	4.1
99.00774	23.2
100.01096	0.7
101.02344	35.4
102.02682	0.6
103.00277	3.8
105.01833	2.4
109.02883	0.7
111.00784	12.2
112.00322	0.5
113.02354	26.5
114.02674	0.7
115.00285	7.9
115.03906	2.0
115.64644	0.5
116.01073	0.9
117.01846	20.3
119.03412	10.5
123.00795	9.6
125.02379	1.9
127.00283	6.0
129.01855	14.3
131.03429	3.8
139.00282	2.6
141.01862	33.4
142.02194	0.8
143.03412	3.6
145.01349	3.7
147.02937	1.4
149.04517	1.4
153.01915	0.6
154.99731	0.6
157.01408	3.6
159.02925	16.7
160.03258	0.5
161.04530	5.4
163.02440	1.1
174.01544	0.6
175.02390	7.2
177.04012	12.7
179.05554	21.6
180.05768	0.6
183.00520	0.7
193.03281	0.7
201.04077	0.6
213.01726	2.9
215.03271	0.7
249.06161	0.7
304.54553	0.6
319.06723	1.3
321.08310	19.5
322.08588	1.2
337.07828	2.2
339.09381	24.9
340.09744	2.0
355.08926	2.2
361.05609	1.7
371.11932	1.0
374.19839	0.6
375.07031	13.6
376.07608	1.0
409.07986	2.1
421.64670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65066	0.5
55.01771	3.4
59.01263	6.1
61.98717	1.2
63.15970	0.5
67.01771	0.7
69.03339	100.0
70.03675	1.7
70.31991	1.5
71.01252	3.5
72.99200	2.1
73.02829	0.9
73.51927	0.5
79.01776	1.6
83.01289	0.6
85.02833	1.4
89.02335	0.9
95.01276	2.3
97.02847	18.6
97.03482	0.9
97.96082	0.5
99.00777	23.3
99.04376	0.5
101.02354	1.5
119.04945	2.5
123.00810	0.6
125.02332	1.2
135.02901	0.9
135.04469	1.7
141.01855	7.3
151.00293	1.2
163.03940	1.8
179.10768	1.3
185.00879	63.0
186.01250	1.4
203.01952	1.0
277.16626	1.4
287.04099	0.6
399.07950	0.6
409.11444	5.9
409.20810	1.8
409.31088	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	409.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	3.5
55.79737	0.3
57.03316	0.7
57.70777	0.3
59.01262	8.1
67.01775	0.8
69.03339	100.0
70.03667	1.6
71.01254	2.4
71.56464	0.5
72.99200	2.2
73.02838	0.5
73.08515	0.4
76.36974	0.3
79.01800	1.0
80.18950	0.3
83.01283	0.6
85.02854	1.9
86.77074	0.4
87.00744	0.5
89.02356	0.5
95.01286	2.5
96.95911	0.6
97.02848	20.6
99.00774	25.2
101.02350	0.9
113.02369	0.6
123.00806	1.1
125.02358	1.3
135.02934	0.6
137.02345	0.7
141.01860	6.5
159.02913	0.4
179.03416	0.6
179.10754	0.8
185.00882	49.3
186.01219	1.4
191.29474	0.3
193.26472	0.4
203.01953	7.8
204.02267	0.3
349.22424	0.5
369.57739	0.4
372.94846	0.3
409.11450	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	409.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.0
59.01262	100.0
59.36393	2.6
61.98709	9.9
69.03332	12.6
71.01280	11.5
71.23540	4.8
75.00774	9.7
76.11595	2.6
79.95628	3.0
84.75547	2.9
85.02850	11.3
95.01273	3.4
96.95928	4.7
97.02853	17.8
101.02341	6.0
109.02840	3.4
119.03418	3.9
119.04939	4.6
123.00824	2.8
125.02409	3.3
135.02890	16.6
135.04445	7.0
137.02391	3.7
141.01837	16.7
147.04424	4.2
161.04395	3.2
163.03925	4.6
179.10689	6.1
185.00900	5.2
202.36606	2.9
203.01978	14.4
229.08739	5.0
247.09727	3.8
276.44681	2.9
385.08432	3.2
409.19617	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	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.2
59.01262	100.0
60.01606	1.1
61.98727	1.2
62.56783	0.6
70.05701	3.1
71.01265	18.7
72.99232	1.4
73.02836	5.1
75.00771	2.0
83.01280	2.4
85.02840	8.1
87.00777	1.8
89.02330	8.8
95.01312	1.2
96.95910	1.2
97.22911	0.6
99.00794	1.6
99.70046	0.6
101.02342	15.2
103.03920	0.7
113.02354	7.9
117.01878	0.7
119.03407	4.2
125.02378	0.9
131.03441	0.9
135.02942	4.7
135.04454	0.8
141.60210	0.6
143.03441	1.1
151.00650	1.0
159.02974	1.3
161.02423	1.0
161.04483	10.6
179.05544	3.2
205.03563	1.0
219.03075	0.8
219.94881	0.6
229.08640	0.7
252.28589	0.6
305.16098	47.2
306.16321	2.9
329.06006	0.7
331.17651	5.8
349.18790	4.0
409.11261	1.2
409.20691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.3
59.01263	7.4
61.98716	24.1
62.98401	0.9
63.99111	0.9
71.01271	2.0
71.57508	0.8
71.57956	1.5
73.02834	5.9
75.00751	3.2
78.95789	1.4
96.96854	1.8
97.02861	1.0
97.06482	1.1
99.00777	52.7
113.09606	2.0
115.07549	1.0
117.01849	10.3
157.32773	0.8
165.12770	2.5
167.14348	1.2
181.12312	3.0
190.43668	0.9
193.12297	2.1
195.13846	1.0
197.11746	1.2
199.13448	1.2
204.54570	0.9
211.13379	2.8
221.15479	1.9
227.06012	1.1
247.20654	3.5
250.64784	0.8
265.07681	2.4
267.09152	2.3
273.18619	2.1
291.19739	24.0
292.20187	2.8
293.21057	1.2
295.08667	1.2
309.10333	16.0
309.20776	100.0
310.21091	11.1
311.22275	7.9
347.22360	1.1
373.01346	1.0
395.13309	1.0
407.33728	1.1
409.22662	1.8
416.72092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94003	0.5
53.21366	0.5
59.01258	12.2
61.98717	4.7
67.95882	0.6
68.16425	0.5
69.53827	4.5
71.01268	2.6
72.99194	2.4
75.00763	39.0
87.00796	0.8
89.02336	5.2
97.47990	0.5
99.00774	1.5
112.19662	0.6
117.01862	1.5
135.02917	42.9
142.02444	0.6
150.07008	0.6
171.10196	0.9
179.14388	0.7
187.93304	0.6
195.13908	5.6
223.13405	5.3
228.13765	1.2
256.13211	1.4
275.20233	4.5
293.21286	100.0
294.21579	7.2
390.74551	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17045	0.3
59.01263	100.0
60.01612	0.7
62.30185	0.3
63.57571	0.3
64.35720	0.3
70.87701	0.5
70.88010	0.4
78.75934	0.3
79.84799	0.3
83.53329	0.3
96.78912	0.3
98.66537	0.3
127.16257	0.3
303.01840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1099
Annotation	Futalosine
Peak:m/z	Relative Intensity
54.36416	0.3
55.42966	0.3
56.17987	0.3
57.03325	1.3
57.03576	0.3
59.01268	3.8
64.46536	0.3
68.48357	0.3
69.03342	4.1
70.33164	1.4
71.01257	2.3
73.02829	0.5
75.00781	0.7
81.03358	1.2
83.01271	1.7
85.02835	0.9
87.00777	0.5
89.02339	0.8
95.01291	1.5
96.95904	0.5
97.02867	3.4
99.04422	3.5
101.02364	0.9
101.05984	0.7
107.01320	1.3
107.04936	2.9
107.79588	0.3
108.02051	0.7
109.02847	1.5
113.02357	0.9
117.01870	0.7
121.02842	0.7
122.03646	0.7
123.00806	5.4
123.04440	2.7
124.01587	18.3
125.02367	61.6
126.02716	1.5
134.03677	0.6
135.02922	1.1
135.04428	1.4
137.02386	2.3
148.02599	0.7
149.99527	34.1
151.00348	3.1
153.01840	0.4
161.04442	0.5
167.03439	0.7
168.00595	58.5
169.01312	4.7
177.01863	0.4
178.02701	0.5
179.03430	1.6
193.01486	0.4
295.10791	0.6
332.21185	0.3
353.60962	0.4
395.09903	3.6
413.10956	100.0
414.11307	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	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
56.33639	0.4
57.03336	100.0
58.03666	1.8
59.01262	84.5
60.01605	1.5
69.25359	4.6
69.64368	0.4
71.01267	16.0
72.99198	0.6
73.02833	7.6
74.82066	0.4
81.03352	1.2
83.01283	3.8
83.42136	0.4
85.02842	9.7
87.00782	0.5
89.02328	0.9
95.01247	1.2
97.02855	0.9
99.00796	2.4
99.04414	84.4
100.04746	1.8
101.02341	32.2
102.02689	0.7
113.01616	0.7
113.02357	7.7
125.02357	25.8
126.02718	0.5
143.03455	2.5
159.02885	1.1
161.04500	8.9
269.10355	25.1
270.10629	1.5
311.11331	2.8
351.14258	1.1
379.40686	0.5
413.14496	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	83.7
59.01262	100.0
61.98709	6.3
69.03356	4.3
69.42699	26.0
71.01260	18.3
72.99195	4.3
73.02827	8.3
75.00746	4.9
85.02842	9.8
86.98608	3.1
89.02316	6.5
90.98449	3.1
96.95914	2.9
99.00787	6.7
99.04413	100.0
101.02338	23.5
113.02379	6.2
119.04920	5.6
125.02368	40.9
126.91974	3.3
135.02904	10.1
135.04376	4.0
137.02316	4.3
141.22391	3.0
141.28140	3.3
151.00298	4.5
161.04457	6.8
177.21530	3.1
178.99837	4.8
207.10057	3.1
233.10696	2.9
236.45715	3.4
251.09184	4.3
269.10345	15.2
311.11288	5.0
376.07239	3.5
413.06369	5.0
413.14667	11.4
414.06870	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	413.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64159	0.2
55.01767	0.7
57.03333	0.8
59.01261	100.0
60.01602	0.9
69.03345	0.5
69.48358	1.5
69.48766	0.4
71.01266	9.5
72.01614	0.2
72.99203	0.4
73.02834	3.3
74.35728	0.2
75.00756	0.4
75.70896	0.2
82.68526	0.2
83.01266	1.6
85.02837	5.0
86.81213	0.2
87.00781	0.9
89.02329	2.6
95.01309	0.5
97.02859	0.4
99.00753	1.1
101.02338	6.6
107.04942	0.2
113.02345	4.4
117.01881	0.7
119.03436	0.8
123.08057	0.3
125.02382	0.6
133.02869	0.3
134.03690	0.4
135.02948	0.7
135.04428	0.3
137.09682	0.3
138.01904	1.6
143.03401	0.5
153.01897	0.3
159.02916	0.6
161.02339	0.2
161.04474	3.3
178.02654	0.3
179.03328	0.5
205.03574	0.3
209.15448	1.6
226.40465	0.2
283.13889	0.4
295.10904	0.5
353.19781	2.5
371.20789	11.6
372.21039	1.1
389.87543	0.2
413.09219	0.3
413.21658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35518	0.3
54.58961	0.4
56.75176	0.4
59.01265	100.0
60.01588	1.0
69.38389	4.1
90.15572	0.4
98.19830	0.8
125.55959	0.4
130.64270	0.4
161.02411	0.4
242.07327	0.4
248.78790	0.4
277.22064	0.4
293.01248	0.4
343.01544	0.5
388.46262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59874	0.8
59.01266	100.0
59.51608	0.7
60.01626	0.9
64.63577	0.8
67.07236	0.8
67.48563	0.7
70.34109	3.1
92.95766	0.9
110.83556	0.8
120.77460	0.7
136.41171	0.9
162.20889	0.9
238.43066	1.0
439.47604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27775	1.1
55.01773	1.2
55.19742	1.1
59.01266	8.2
61.98706	1.9
64.44608	1.5
71.01272	7.1
71.55730	1.8
72.99194	3.1
73.02837	1.5
83.01297	1.3
85.02847	8.3
87.00754	2.0
93.03367	1.6
95.01263	1.7
99.00790	8.0
101.02312	2.8
108.02073	51.4
109.02866	24.5
112.18912	1.3
112.59096	1.4
113.02393	1.2
113.66284	1.2
123.00770	1.4
134.03682	1.2
135.02902	1.7
135.04446	1.6
137.02388	1.7
146.03650	1.2
151.00185	1.3
151.03990	2.9
152.01085	65.1
153.01883	27.5
161.02423	1.9
163.03946	2.1
165.01981	1.4
179.07048	2.7
209.02951	2.2
253.07230	4.5
263.13031	1.2
310.37204	1.3
315.07266	100.0
316.07767	6.5
359.36246	1.3
393.37326	1.3
415.08627	37.0
416.09167	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	415.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12155	0.3
58.00473	0.7
59.01262	9.7
62.75895	0.4
69.03342	3.5
71.01269	7.2
72.99201	0.7
73.02832	1.2
79.87988	0.3
81.03347	1.2
83.01263	2.0
85.02841	2.1
87.00768	0.4
89.02332	6.4
93.03368	0.3
93.93262	0.3
94.08598	0.4
95.01276	1.7
97.02853	3.0
99.00781	0.6
101.02347	4.3
101.05978	3.5
101.25126	0.3
107.01287	1.2
108.02024	0.4
109.02868	0.5
113.00781	0.3
113.02338	2.9
114.41350	0.4
114.42126	0.3
119.03414	2.9
123.00809	4.8
124.01579	17.6
125.02363	61.2
126.02692	1.7
135.02925	0.5
136.01616	0.4
137.02379	1.9
149.02284	0.4
149.99522	32.5
151.00269	2.8
154.82092	0.3
161.04495	1.2
165.01846	0.7
167.03448	0.8
168.00589	64.5
169.01350	5.0
179.05585	0.7
190.47198	0.3
193.01347	0.4
271.02548	0.4
300.02921	0.5
312.23596	0.3
313.05707	1.1
397.11517	5.1
398.11990	0.7
415.12527	100.0
415.19394	3.7
416.12848	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.28196	0.4
58.59783	0.5
59.01264	7.8
68.99693	0.6
69.03346	1.0
69.92021	1.6
69.92428	0.7
71.01268	8.6
72.99194	2.7
73.02826	2.2
75.00758	1.7
81.03339	1.5
83.01292	1.1
85.02843	7.9
87.00772	1.2
89.02341	1.4
93.03376	1.0
95.01276	4.2
99.00790	1.1
99.04420	0.5
101.02320	2.4
103.02991	0.4
103.10310	0.4
105.01828	4.9
108.02074	65.1
109.02865	46.3
110.03194	1.5
113.02387	2.3
117.01881	0.5
121.02882	1.7
122.25327	0.4
123.00792	3.6
123.04417	2.7
125.02333	1.0
129.01874	0.7
135.00690	0.4
135.04445	1.1
139.07538	0.5
147.02913	5.3
151.03912	1.2
152.01089	76.1
153.01888	24.3
153.05492	3.4
154.02222	0.8
161.04465	0.9
163.03955	1.4
165.01869	1.4
165.05476	0.5
167.03432	2.1
172.16605	0.4
174.61229	0.4
179.03482	0.9
191.10870	0.6
198.96495	0.4
281.15244	0.4
297.06427	0.9
315.07364	4.1
315.10736	0.7
357.08334	9.1
358.08737	0.8
397.11572	3.7
415.12494	100.0
416.12802	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	415.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	5.6
57.03334	6.0
58.00482	2.2
59.01263	39.3
60.01609	0.4
61.98713	0.6
67.01792	0.3
68.99695	0.9
69.03345	2.8
71.01268	91.3
71.04896	2.4
71.55602	0.5
72.01614	1.1
72.99194	5.6
73.02834	36.3
74.03172	0.6
75.00767	2.6
81.03354	2.2
83.01274	26.6
83.04916	0.5
83.96120	0.2
84.01618	0.4
84.02068	0.4
85.02841	46.6
86.00001	0.9
86.03191	0.6
87.00771	4.4
87.04416	0.7
89.02335	9.9
93.03355	0.3
95.01283	7.1
97.02849	4.3
99.00780	14.5
99.04398	0.8
101.02345	81.2
102.02676	1.1
103.03909	5.5
105.01828	1.4
107.04957	0.8
108.02077	27.7
109.02869	22.3
109.03961	0.4
110.03171	0.4
111.00809	1.1
111.04402	0.3
113.02354	33.7
114.02676	0.7
115.03909	0.8
117.01849	0.4
117.05485	10.6
119.03408	2.8
121.02859	0.7
123.00809	2.5
123.04439	0.7
124.01575	0.4
125.02361	8.0
127.03897	0.9
129.01883	1.8
131.03365	0.6
135.00787	0.3
135.04465	0.7
137.02345	0.3
138.03148	0.7
139.00304	0.7
139.03937	0.7
141.01825	0.3
143.03433	4.8
145.01376	0.3
145.04988	1.9
147.02930	2.5
151.03931	1.0
152.01088	37.0
153.01884	15.5
154.02246	0.5
159.02940	7.6
161.04498	50.7
162.04805	1.2
163.03951	0.7
163.06076	3.1
165.01839	0.9
165.05556	0.3
181.05000	0.7
187.05991	0.3
191.01991	0.4
195.02879	0.4
205.03563	2.8
205.07195	0.4
229.07170	2.0
247.08255	4.4
251.09259	0.5
261.06836	0.3
269.10358	100.0
270.10687	5.1
297.06247	1.4
301.09381	0.4
307.10425	0.7
313.09451	0.9
315.07281	0.6
322.06927	0.3
323.52075	0.2
361.75705	0.3
415.12357	36.5
415.16367	26.2
416.11804	3.3
416.16711	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	6.4
56.99702	0.4
57.03338	5.5
58.00478	2.3
59.01263	45.2
60.01609	0.4
61.66381	0.3
61.98719	0.3
67.01762	0.5
68.99693	0.7
69.03336	2.9
69.50742	0.2
69.51060	2.5
71.01268	76.0
71.04889	2.0
72.01608	0.9
72.99200	3.8
73.02834	31.7
75.00755	1.9
79.01764	0.4
80.30865	0.3
81.03351	1.9
83.01275	23.3
83.04901	0.4
84.01608	0.6
84.02056	0.4
85.02840	43.0
85.99982	0.7
86.02531	0.2
86.03176	1.1
87.00771	3.7
89.02338	7.2
95.01284	6.3
97.02855	3.4
98.20589	0.3
99.00778	11.1
99.04408	0.6
99.28230	0.3
101.02343	67.0
102.02676	1.0
102.74085	0.3
103.03915	5.3
107.04954	0.7
108.02077	29.6
109.02865	18.4
110.03174	0.3
110.25792	0.3
111.00784	1.1
111.04433	0.3
113.02352	26.8
113.94339	0.3
114.02678	0.6
115.03946	0.7
117.05490	6.9
119.03411	1.9
121.02895	0.6
123.00777	1.4
125.02361	6.5
127.03901	0.9
129.01868	1.2
131.03371	0.4
135.04424	0.6
137.02344	0.4
138.03133	0.4
139.03897	0.5
141.01859	0.5
143.03421	4.7
145.04955	1.9
147.02902	0.7
151.03925	0.6
152.01088	25.6
153.01877	10.3
159.02924	6.7
161.04497	51.1
162.04852	1.5
163.03915	0.7
163.06078	2.8
165.01814	0.4
191.01848	0.4
205.03477	1.8
229.07202	1.9
247.08270	3.7
251.09254	0.4
269.10352	100.0
270.10721	6.5
297.06317	0.7
307.10376	0.8
313.09351	0.6
315.07489	0.6
415.12317	30.0
415.16245	28.9
416.12619	3.0
416.16605	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16166	0.7
59.01266	3.6
71.56964	1.0
74.98985	6.0
77.00552	76.8
78.00870	1.1
81.03383	0.7
147.08069	2.2
149.09639	1.9
163.11250	2.2
187.11227	2.0
280.14600	1.3
281.60074	0.9
309.22098	1.8
337.21783	100.0
338.22098	10.4
368.15067	0.8
415.23172	18.9
416.23590	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	415.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06149	1.3
58.58401	1.3
59.01261	100.0
70.72214	2.1
70.72552	3.1
73.55754	1.3
94.39469	1.5
98.65987	1.5
145.04619	1.6
176.37903	1.5
206.08884	1.4
235.06461	1.5
240.61142	1.5
243.82515	1.4
410.77643	1.7
415.15588	3.1
431.84305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0837
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01254	1.6
63.02283	0.4
63.64695	0.3
66.07191	0.3
69.04482	0.3
69.57606	2.7
76.45856	0.4
79.61424	0.4
83.01277	0.4
89.02338	0.4
107.01292	0.6
108.36046	0.3
119.04922	0.4
125.02345	0.7
137.02354	0.5
151.00285	1.6
153.01900	0.5
163.00273	0.4
164.01181	0.4
165.01910	0.4
169.06538	0.6
170.70331	0.4
181.04924	0.4
183.04443	0.9
187.03897	0.6
211.03937	1.4
211.07663	1.4
227.03502	63.8
228.03889	4.6
229.05009	1.1
239.03406	0.4
241.04828	0.4
255.03024	80.1
256.03595	11.0
257.04434	0.8
269.04559	0.5
284.03320	75.6
285.04031	25.5
286.04483	1.5
306.63657	0.4
327.05170	0.4
417.08356	100.0
418.08698	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	417.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58503	0.5
57.03334	0.9
59.01268	4.3
61.98703	1.0
68.88408	0.6
68.99680	0.6
69.03333	2.1
70.86720	0.6
70.87069	1.2
71.01265	6.9
72.99206	1.5
73.02840	4.8
75.00758	1.2
81.03328	1.4
83.01265	1.6
85.02843	6.7
87.00785	0.7
89.02332	2.3
93.03366	0.7
95.01267	1.4
97.02831	3.1
97.17826	0.6
97.79562	0.5
99.00830	0.7
100.00288	0.6
101.02339	4.2
103.03891	3.5
108.02076	0.8
109.02848	2.4
110.01899	0.6
113.02364	2.9
117.01787	0.7
119.03442	1.1
121.02870	9.7
123.00787	8.6
123.04438	2.1
124.01578	27.1
125.02368	46.3
126.02705	1.4
133.04985	1.2
135.02888	0.8
135.04385	1.5
135.25804	0.7
137.02356	2.4
149.98314	1.4
149.99522	28.4
151.00203	1.2
151.03897	1.4
161.02408	0.6
161.04510	3.6
166.06300	42.6
167.03441	2.1
167.06674	1.6
168.00594	62.4
169.01364	6.6
176.70981	0.6
181.05106	1.3
181.08659	44.5
182.09004	1.6
191.01947	1.0
235.08165	1.7
262.49481	0.6
270.40067	0.6
295.17566	0.6
313.05759	2.9
332.67279	0.6
373.18854	0.8
399.09497	2.3
417.10431	100.0
418.10794	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	417.1199
Annotation	Liquiritin
Peak:m/z	Relative Intensity
59.01263	2.3
59.97105	0.3
63.02275	1.6
65.00208	10.9
69.03305	0.4
70.59107	1.2
71.01277	1.9
73.02828	0.7
75.00756	0.4
81.03368	0.3
83.01273	6.8
85.02837	0.9
89.02355	1.2
93.03349	0.9
93.70943	0.3
96.95917	0.4
101.02318	1.5
107.01290	16.5
108.02119	0.5
108.99230	0.4
109.02884	0.9
113.02311	0.6
121.02857	0.4
125.02333	1.2
133.02823	0.7
135.04428	0.5
137.02374	5.5
143.04948	0.5
145.06551	1.8
149.02356	0.7
149.99451	0.8
151.00302	40.5
152.00658	1.0
153.37469	0.4
161.04469	1.1
164.01097	0.6
165.01837	0.7
169.01428	0.7
169.06493	1.6
171.04440	2.2
172.05258	0.3
177.01883	10.2
178.02306	0.5
183.08284	0.7
185.05920	1.0
187.07610	1.2
211.07611	3.2
213.05560	5.9
214.05833	0.5
227.07159	1.5
240.04237	0.7
251.07236	0.4
253.05234	0.7
254.05823	1.3
255.06650	100.0
256.07007	6.1
269.08447	0.7
271.06250	0.5
275.35974	0.4
279.06711	0.7
297.07751	2.9
385.12894	0.4
417.11978	82.4
418.12323	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00188	0.8
53.19959	0.6
56.97885	1.2
57.97405	1.1
58.99459	1.1
59.01203	3.6
61.98682	0.7
63.94313	1.2
64.95132	56.1
65.58761	0.6
65.99700	0.9
68.01303	3.4
70.02818	1.0
70.98172	0.8
71.01270	24.2
71.01630	1.1
71.58079	1.0
71.99019	7.0
72.99746	2.3
73.96930	3.4
74.00583	7.3
77.77945	0.6
81.04440	1.0
82.02847	0.6
83.99033	5.7
85.03886	1.0
86.02373	12.5
87.98519	3.0
88.95152	6.2
88.98678	0.7
90.47073	0.7
90.96676	0.9
94.02881	15.4
95.02406	12.7
96.00774	1.1
96.04383	1.0
98.00574	0.7
98.02313	1.3
99.98517	12.2
102.00021	2.3
102.98498	10.7
105.97816	7.3
108.81876	0.6
108.98535	0.8
109.03982	17.3
110.02325	0.8
111.01874	1.6
111.05465	1.5
112.00312	52.2
113.00581	1.0
114.01881	7.6
116.94646	0.7
116.98843	3.3
117.99513	0.7
121.03945	1.5
122.02390	25.8
123.01817	1.3
123.05505	0.8
126.00153	3.5
126.98458	1.0
127.97964	2.2
135.01863	0.8
137.03494	49.6
138.01907	6.6
138.03777	1.4
139.01321	1.2
139.05020	1.7
141.01213	6.3
141.02843	0.6
141.99536	0.7
143.02765	0.9
145.99110	27.8
153.03008	1.1
155.04506	2.4
165.02991	6.6
169.00717	4.9
185.15384	0.8
185.93584	0.7
201.14854	0.7
202.99515	5.6
212.16475	1.5
228.16039	2.4
234.84491	0.6
236.16522	1.1
245.12219	3.0
247.13768	2.2
254.17561	1.0
256.15521	1.2
264.16080	2.2
270.15262	2.7
279.08136	0.9
279.11014	15.0
279.20868	0.6
282.17111	1.4
284.18710	1.1
288.16455	3.9
291.85736	0.7
301.14856	1.7
307.20364	1.2
308.18784	1.8
310.20364	2.0
312.16391	1.0
321.18393	1.3
323.19745	1.4
331.17023	1.4
333.18326	1.1
340.15851	9.4
341.16461	1.1
341.23447	1.2
349.17825	0.9
351.19308	100.0
352.19635	9.7
355.17029	15.2
356.17456	1.9
357.14597	0.8
357.18616	8.6
365.15298	1.2
374.14722	7.0
383.16534	18.5
384.16791	2.3
417.15369	24.1
417.27109	0.7
418.15555	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	417.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01262	100.0
60.01593	0.9
61.58640	1.0
61.98697	1.0
63.30236	0.8
70.54999	3.1
70.55350	0.9
71.01270	5.7
71.40146	0.7
72.99198	3.3
73.02845	1.4
75.00740	3.6
83.01270	2.0
83.04883	0.9
83.84198	0.9
85.02818	2.2
87.00746	1.3
89.02348	2.1
98.19955	1.0
99.00765	7.7
101.02303	1.3
109.02835	1.4
111.00767	1.7
112.98717	11.1
115.00267	1.7
124.98721	1.8
135.02907	1.8
135.04405	1.7
137.02347	3.9
140.01125	0.8
142.99792	17.1
151.00281	0.9
156.00616	1.9
165.01804	1.3
173.00873	12.3
174.01645	28.4
175.02373	1.9
178.99582	0.8
193.12227	1.5
205.12303	1.4
211.13382	13.0
212.13728	1.5
214.06404	1.3
221.11887	1.5
223.13383	2.9
237.15312	0.9
255.06552	1.6
258.05249	2.7
263.12924	1.8
267.12369	4.4
279.12555	1.2
293.13611	0.8
305.13696	1.1
307.11911	9.8
308.12424	1.2
325.12927	2.4
349.12982	4.6
367.14023	39.1
368.14191	3.6
381.23358	1.0
385.14905	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	417.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48563	1.0
55.01743	1.3
57.03323	1.8
58.52823	0.9
59.01262	100.0
60.01603	1.5
61.98713	2.1
68.18171	1.0
69.93359	3.1
69.93761	1.7
71.01269	34.6
71.68849	0.8
72.99192	4.4
73.02825	4.7
75.00748	2.1
76.75073	1.0
83.01276	2.5
85.02844	10.2
87.00775	3.7
89.02334	27.8
95.01279	1.7
96.95898	1.5
97.02826	1.1
99.00768	3.2
101.02340	18.6
104.24085	1.2
105.01839	1.7
109.02857	1.2
113.01604	1.6
113.02355	16.0
117.01852	1.2
119.03414	13.4
123.04447	5.6
125.02377	2.2
131.03423	1.6
135.02870	1.7
135.04417	1.2
137.02371	1.3
143.03438	4.2
147.02873	2.0
149.04504	1.4
153.01863	1.1
159.02934	1.6
161.04497	25.0
163.03857	1.1
177.09274	5.0
177.10530	1.0
179.05559	8.4
195.10265	2.6
205.03519	1.4
316.22232	0.9
357.15588	33.8
358.15994	2.9
417.17548	3.8
417.26273	1.0
422.30957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
55.50782	1.0
56.39263	0.9
57.03337	5.4
58.00466	3.1
59.01262	100.0
59.98407	1.3
60.01594	1.1
61.98714	1.3
64.22903	0.8
69.03345	1.9
70.53166	2.9
71.01269	62.6
72.01597	0.9
72.99209	4.9
73.02834	13.0
75.00751	3.1
79.05427	1.0
79.95620	1.1
83.01280	3.9
85.02843	14.4
87.00775	3.5
89.02335	67.7
93.03329	1.0
95.01265	3.4
95.04895	1.1
96.09631	0.9
97.02845	2.6
99.00781	1.0
99.04398	4.5
101.02346	36.1
107.04906	2.0
109.02834	1.6
113.02357	26.5
119.03410	27.0
119.04864	1.9
120.05740	2.2
121.02819	1.1
121.06501	2.5
123.00781	1.5
123.04389	1.7
125.02357	2.9
131.03413	2.6
133.17690	0.8
134.03677	1.0
135.04451	2.9
137.02344	2.8
139.07593	1.7
141.63544	0.9
143.03438	5.0
146.07204	1.4
149.04472	1.7
149.06029	1.4
149.09648	0.9
151.00285	2.9
153.01805	1.5
161.04468	5.5
161.09668	32.3
163.03961	2.1
166.02586	1.3
177.09117	0.9
179.03479	2.2
179.05504	5.0
179.10789	2.0
181.04991	4.1
181.08691	1.5
193.08604	0.9
193.12259	2.7
195.10277	1.3
205.08661	1.1
223.09729	1.6
237.11337	35.3
237.15030	1.8
255.06642	4.0
255.12437	9.5
417.08224	1.6
417.21408	23.1
418.21756	1.8
430.98779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99741	0.5
51.69764	0.5
55.01775	2.1
57.03335	1.8
58.00481	0.7
59.01263	100.0
60.01616	1.1
60.76014	0.5
61.98720	0.8
65.60749	0.5
70.33887	1.5
71.01270	37.9
72.01599	0.7
72.99188	1.2
73.02834	12.1
75.00764	2.5
81.71913	0.5
83.01279	4.8
84.02074	0.7
85.02844	14.8
87.00799	1.4
89.02341	6.1
95.01292	2.8
97.02868	1.1
99.00776	6.0
101.02342	23.7
109.02856	0.6
111.08057	2.4
113.02358	17.0
119.03438	3.2
121.02866	1.0
123.04469	1.3
125.02390	1.2
135.02965	0.9
139.07585	26.4
140.07892	1.1
143.03461	2.5
159.02934	4.8
161.04504	47.6
162.04855	1.5
179.05582	0.7
190.80161	0.5
195.10242	4.0
205.03606	1.4
255.06732	0.8
357.15613	31.5
358.15976	2.7
386.79666	0.5
417.17426	3.6
418.18259	0.6
427.13531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43501	0.7
59.01265	6.4
67.33511	0.7
70.74087	1.4
70.74420	0.9
72.99200	4.2
75.00770	0.8
97.06498	5.2
104.04579	0.8
108.05493	0.8
125.06002	48.9
126.06337	1.4
143.07072	76.0
144.07391	2.4
163.11214	0.8
165.12798	18.1
166.13100	1.3
247.20689	10.3
248.20975	0.8
267.59521	0.8
273.18600	5.8
275.96420	0.9
290.21918	0.9
291.19717	100.0
292.20062	7.8
417.26569	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.136
Annotation	4-deoxyphloridzin
Peak:m/z	Relative Intensity
59.01265	0.6
65.03848	3.0
71.01270	0.5
71.13036	0.6
72.91077	0.3
79.62921	0.2
79.64066	0.2
83.01290	0.3
91.01799	0.6
93.03355	3.5
99.34046	0.2
107.04939	7.6
107.05642	0.6
108.02093	0.3
109.02871	4.9
122.03655	1.4
135.00804	1.4
137.02368	2.5
138.07570	0.2
150.03169	2.2
151.03951	100.0
152.04292	4.8
159.92145	0.3
163.03978	2.2
176.02841	0.3
193.05017	0.3
213.09222	0.3
257.08231	52.2
257.46243	0.3
258.08569	4.6
279.84174	0.3
301.93048	0.3
419.13562	24.3
420.13901	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	419.1358
Annotation	4-deoxyphloridzin
Peak:m/z	Relative Intensity
58.54870	0.2
59.01260	2.6
59.72120	0.2
61.18629	0.2
65.03849	4.4
69.03339	0.3
69.64806	1.0
69.65217	0.5
71.01273	0.8
72.99236	0.3
75.00771	0.8
85.02835	0.6
88.01458	0.3
89.02351	0.4
91.01791	0.6
93.03363	2.6
95.01257	0.2
96.95906	0.2
98.19799	0.4
99.04391	0.3
101.02375	0.4
107.04939	8.3
108.02088	0.3
109.02865	7.5
110.03155	0.3
113.02358	0.5
119.04968	0.3
120.69168	0.2
120.99608	0.3
133.02863	0.7
135.00815	1.2
135.02931	0.8
135.04449	0.3
137.02335	0.3
139.07579	0.3
150.03156	0.2
151.03949	100.0
152.04282	3.4
153.01836	0.6
160.79697	0.2
163.03966	1.8
165.05553	0.3
169.08730	0.3
175.03888	0.3
197.08141	2.0
213.09111	1.2
249.06093	0.4
257.08231	53.1
258.08557	4.1
419.13458	2.6
420.13882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	100.0
61.98725	24.8
63.20469	17.1
98.19763	37.5
115.51096	20.4
121.78043	16.2
285.20966	17.7
419.24722	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25761	16.9
59.01260	78.3
61.98712	28.3
69.69706	100.0
69.70117	43.2
80.91208	18.4
81.11882	16.8
92.07927	16.4
142.53935	18.2
415.01599	19.6
419.24756	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2446
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.61363	0.5
56.61851	0.5
57.03288	0.7
59.01203	4.2
65.03786	4.8
69.03278	0.8
73.09417	0.5
75.88209	0.5
80.02522	1.0
81.03291	1.0
81.41216	0.5
83.04845	2.3
91.05366	2.2
95.04856	0.9
97.06480	3.3
98.20526	1.0
105.06905	1.7
108.90051	1.2
109.06443	0.8
115.05387	1.1
117.06937	0.6
119.08559	0.6
123.08029	2.5
125.09637	14.1
133.10091	2.0
135.08043	0.5
141.43311	0.5
145.10155	0.6
153.09044	1.2
157.06349	0.6
159.08066	0.7
159.11655	1.1
163.11200	0.8
183.58954	0.5
185.09624	1.5
185.11649	1.2
187.14897	15.8
188.15112	1.0
195.11546	0.6
205.15877	0.7
209.11800	2.7
211.13324	1.0
213.12875	2.4
231.13913	30.3
232.14285	2.4
233.11717	0.7
235.13365	0.8
249.12872	0.7
249.15022	9.5
249.17690	0.7
249.18567	0.5
250.12035	0.8
339.23312	1.4
357.24478	2.6
365.21304	1.1
373.24002	1.0
383.22260	5.0
387.27014	0.7
391.24918	1.4
401.23398	100.0
402.23700	12.5
419.24487	32.6
419.29300	1.6
420.24817	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	419.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73114	0.7
59.01255	2.9
63.28419	0.7
70.73743	2.0
72.34321	0.7
72.99196	4.7
90.37711	0.7
94.32375	0.8
97.06490	6.3
118.09249	0.7
125.06005	48.9
126.06385	0.8
136.80327	0.8
137.88467	0.7
143.07071	78.8
144.07411	2.5
151.04024	0.7
179.14339	0.9
195.13908	9.2
205.12390	1.3
211.13425	0.9
223.09152	0.7
223.13370	7.0
228.13670	0.8
256.13184	1.8
275.20197	4.3
293.21295	100.0
294.21570	8.1
327.02090	0.8
419.28085	12.1
420.28467	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	14.1
58.12070	1.0
59.01269	12.7
60.97400	1.6
61.98710	1.4
63.02277	2.5
65.00207	5.1
65.05295	1.1
71.01266	4.7
72.97417	9.7
73.02832	2.2
75.00756	4.6
79.82220	1.2
81.03336	2.0
83.01271	9.1
85.02825	2.9
87.00761	1.7
89.02330	7.3
93.03380	1.5
95.01276	2.3
98.19845	2.5
99.13876	1.3
101.02326	2.9
107.01291	6.8
109.02882	2.7
111.00792	1.6
113.02345	1.9
117.03381	2.3
120.99544	4.7
121.02863	3.1
123.00790	2.8
123.04410	2.3
124.01594	2.7
124.38267	1.1
125.00551	4.6
125.02368	100.0
126.02705	3.1
134.03670	1.3
135.00838	1.5
135.02901	3.1
135.04489	1.4
137.00664	1.3
137.02356	2.5
141.00067	2.5
145.02861	3.5
147.00815	2.4
149.02376	3.4
149.05835	1.1
149.99565	6.2
151.00316	24.0
151.03944	3.2
152.01114	8.5
153.00078	22.0
153.01849	14.4
155.01720	1.6
161.02357	5.1
161.04500	1.9
163.00314	14.2
164.01003	1.7
165.00117	6.6
165.01883	3.5
167.03450	2.0
169.01360	3.6
169.02791	1.3
173.02348	5.6
174.03113	1.6
175.00278	8.1
175.03987	6.2
176.01115	2.4
177.00137	4.8
177.01880	6.9
178.99805	18.2
179.01643	9.5
179.98804	3.4
180.99641	45.6
181.01337	6.8
181.99991	2.1
183.01183	1.9
183.04424	1.8
187.03967	2.3
189.00302	1.3
189.01898	5.1
191.03397	1.2
192.99597	4.5
194.00488	1.5
195.01210	3.5
198.03183	1.5
199.03992	3.6
199.09755	2.1
201.02000	2.4
201.05569	1.6
203.01730	1.6
204.37715	1.2
204.99591	6.0
205.01370	4.6
206.00252	2.7
207.01195	10.9
208.99129	74.5
209.99350	3.3
211.03944	3.3
213.05563	1.8
214.02673	1.4
215.03439	4.2
216.04092	2.0
217.01350	1.5
217.05081	2.8
221.02707	1.4
223.00642	5.6
227.03564	1.6
229.05086	5.1
230.02257	2.8
231.01199	5.2
232.99155	70.5
233.99496	4.2
236.98657	2.0
239.03519	2.4
240.04347	1.8
241.05148	3.7
245.02957	1.4
247.00809	1.3
249.02240	7.0
251.00203	8.2
253.05156	2.9
255.03151	2.5
259.06134	2.2
259.11798	1.8
262.01364	2.3
263.03735	1.1
264.04370	1.2
269.04617	2.7
272.01453	1.5
273.02158	6.7
276.98022	1.6
283.02539	3.3
284.03320	1.8
285.04218	15.8
291.03369	1.9
294.99167	2.7
297.01938	2.7
303.05249	10.6
313.05655	6.4
314.99625	1.5
315.03363	4.5
316.00479	1.5
317.01230	14.1
317.10687	1.2
331.02780	6.7
333.00873	4.1
335.02353	6.4
341.01285	12.2
345.11002	3.3
359.02383	15.6
369.42004	1.3
385.00299	3.0
403.01392	1.5
421.02264	5.1
421.08124	7.9
421.16492	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	421.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87706	2.8
57.03336	5.2
59.01263	17.0
61.98738	3.0
71.01256	7.7
71.38256	2.7
71.38598	2.9
75.00744	3.5
83.01258	3.0
84.58192	2.2
84.58785	2.2
84.72509	2.5
85.02834	3.3
87.00791	4.2
89.02339	7.7
91.48458	2.4
96.95874	3.1
101.02340	7.6
103.42078	2.4
113.02274	3.2
121.02980	2.4
125.02364	48.5
134.75479	2.6
135.04427	3.1
145.92805	2.2
148.55234	2.3
151.00346	5.2
152.01044	3.0
153.00111	7.2
161.04483	3.3
162.98553	2.8
173.02344	2.8
175.00331	4.9
175.17184	2.2
180.99629	33.1
199.04112	3.4
207.01169	22.1
208.99126	40.9
211.04028	3.1
212.04849	2.8
215.03604	3.4
216.04324	4.9
219.51347	2.9
227.03444	2.8
231.01262	16.8
239.03444	4.2
240.04288	5.1
247.10643	2.4
249.02319	21.0
255.03148	4.4
259.06323	5.4
273.02417	9.5
273.61252	2.7
283.02469	16.0
285.04129	8.5
317.01303	57.3
335.02322	3.6
342.04364	13.9
377.09314	2.5
377.18274	3.8
404.04575	48.8
421.12000	4.3
421.16446	100.0
421.20752	4.8
422.16891	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	421.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39390	1.4
57.03343	8.0
59.01265	14.9
59.91962	1.5
69.26537	16.2
71.01255	5.8
73.02843	2.9
74.50771	1.4
81.03307	1.5
83.01289	2.1
85.02857	2.4
87.00742	2.4
89.02322	3.7
98.20554	3.3
99.04395	3.0
99.07918	1.8
101.02320	3.9
113.02366	1.8
118.36619	1.6
121.02854	1.8
124.27271	1.6
125.00686	1.5
125.02367	30.9
135.04446	3.7
145.02841	1.8
149.02367	1.7
151.00325	3.0
153.00157	9.2
161.04550	1.7
173.00935	1.8
173.02415	4.1
175.00328	2.2
178.99809	2.7
179.03444	2.4
180.99614	19.3
187.03995	2.9
207.01158	12.0
208.99115	30.7
211.04079	2.3
215.03551	3.4
216.04266	2.1
230.99246	1.6
231.01181	9.1
239.03510	3.1
240.04282	3.7
249.02202	10.1
259.06097	3.9
273.02249	6.0
283.02512	13.6
284.03247	2.6
285.04193	6.8
299.10803	1.8
317.01303	37.6
342.04404	6.6
404.04568	34.8
421.16422	100.0
422.05463	1.8
422.16751	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	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.7
62.12600	1.0
65.76300	1.0
67.55991	1.0
78.95786	28.9
89.05702	1.2
110.98431	46.2
114.51615	1.2
121.01173	1.0
149.81186	1.3
152.99535	4.6
167.01074	1.1
185.02168	100.0
186.02452	1.8
253.21756	25.4
254.22047	2.0
421.23663	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	421.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	35.9
61.98707	42.1
69.03372	10.9
71.25233	25.9
88.98700	65.9
89.02271	17.8
96.95892	13.7
121.02882	100.0
122.03207	38.1
125.66368	10.9
152.95044	11.0
178.48703	12.5
219.10025	18.8
245.11627	18.0
403.24487	19.4
421.27924	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.26
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
54.12567	0.9
57.02216	0.9
57.03340	1.8
59.01271	5.2
61.98721	6.6
68.22468	1.1
69.03340	2.5
71.01276	1.5
71.04911	3.7
71.56599	1.4
74.94427	0.9
81.03344	1.6
83.04891	5.2
93.03371	1.8
95.04924	4.1
97.06496	5.6
107.04954	1.7
109.06487	4.4
111.08043	1.9
114.28585	1.1
121.02844	1.6
121.06530	2.0
123.04446	5.1
123.08071	3.7
125.09648	1.1
135.04434	2.3
137.09627	3.3
147.08127	1.1
149.06009	2.8
149.09686	3.0
153.12781	3.0
163.11223	2.7
177.12796	1.6
185.11781	14.4
189.12839	1.6
191.14354	5.1
197.11844	1.8
199.13446	2.3
203.14310	1.2
205.12325	2.1
207.13867	18.4
207.17638	1.0
209.11658	1.5
209.15468	2.4
211.13568	1.3
213.14902	5.5
217.12341	2.5
219.13882	1.2
223.13403	2.9
225.15001	1.4
233.15578	1.9
235.13405	61.9
236.13712	4.7
237.14972	4.0
239.16864	1.2
248.70306	1.0
249.14954	2.0
251.16537	3.6
252.16928	1.2
253.14479	13.2
263.16550	2.2
275.16577	1.6
277.18210	3.5
279.19788	1.2
287.16647	2.1
289.18457	0.9
290.04883	1.0
294.22076	1.1
313.25473	1.3
323.23856	2.2
341.24924	9.1
357.24261	2.2
359.25949	8.3
367.22873	6.7
375.25424	2.4
377.27008	1.8
385.23886	22.0
385.28522	1.7
386.24265	2.8
393.26489	2.2
403.24948	86.6
404.25311	11.5
421.26041	100.0
422.26431	15.3
445.60822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2604
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03334	1.4
59.01268	4.8
61.89227	0.6
61.98695	0.7
63.35281	0.6
65.03844	1.3
69.03339	1.3
70.01660	2.7
71.04911	1.3
71.15347	0.7
75.46619	0.7
81.03376	0.7
81.84567	0.5
83.04923	6.2
85.06491	2.5
93.03352	0.8
95.04902	1.6
97.06477	2.4
98.20524	0.9
107.08567	0.9
109.06495	1.5
111.08068	2.4
119.04938	1.0
119.08649	0.8
123.08101	1.7
125.09628	8.7
133.06525	0.7
135.08098	0.9
137.09676	1.1
151.11200	0.7
155.10641	0.7
161.09735	0.6
163.11191	0.7
171.10219	19.6
172.10469	0.8
178.92566	0.7
185.11786	1.4
187.14957	1.3
205.16022	3.2
209.11830	2.1
211.13371	4.2
213.12807	0.7
215.14383	1.6
219.10226	0.9
221.15456	2.7
231.13887	2.0
233.15485	26.6
233.17801	1.4
234.15892	1.1
239.16498	0.8
249.15002	9.1
251.16597	1.5
257.17664	2.6
283.19366	0.7
313.25439	1.0
323.23837	0.9
329.17294	1.0
331.26468	2.1
334.37302	0.6
341.24911	2.6
349.27246	0.9
359.26065	1.8
367.22739	1.4
375.25540	1.6
377.26974	2.6
385.24042	5.3
386.24335	1.0
393.26544	1.7
403.24963	45.1
404.25223	4.0
421.26035	100.0
422.26416	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	421.2606
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03338	1.7
57.87792	1.6
59.01254	9.0
60.08657	1.4
60.99189	2.1
61.98708	8.3
64.19476	1.5
69.03339	2.8
71.58294	2.0
78.95834	2.0
88.98694	10.5
97.02853	4.2
97.06471	4.2
109.06467	1.8
121.02827	2.2
125.09628	15.0
137.09683	2.8
177.12839	2.9
183.13940	2.2
189.16434	3.4
193.08325	3.0
209.11752	3.6
211.13396	6.6
213.14795	1.8
215.14429	5.2
221.11781	3.6
223.13405	2.3
233.15482	74.8
234.15813	5.0
239.12872	3.0
251.16533	3.7
277.21725	8.1
309.20602	2.2
331.19226	10.1
331.26401	5.4
349.20145	18.5
350.20673	1.8
365.18869	1.9
375.25299	3.0
385.23865	6.2
393.26605	4.6
403.24976	100.0
404.25275	12.9
421.26343	19.7
421.31335	3.5
422.26559	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.4
59.09609	0.6
61.98715	2.6
71.01271	2.4
71.56519	0.7
75.00745	0.9
78.95789	16.1
79.95628	2.0
93.03367	0.6
96.95913	100.0
96.96866	36.1
97.80012	0.5
97.93032	1.4
113.92534	1.0
114.93301	1.5
121.02853	1.3
122.77051	0.8
127.07566	0.8
137.80804	0.5
138.06949	0.6
154.67482	0.6
176.79323	0.6
193.79205	0.6
209.11794	2.0
241.07538	0.5
283.08545	1.2
297.06622	1.9
307.19220	3.6
325.20221	2.9
326.06918	3.7
336.08963	1.5
345.14026	1.5
352.97369	0.6
354.09946	9.8
355.10294	0.6
363.14917	4.1
364.15399	0.7
387.11240	0.7
405.16171	1.3
423.29474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.18
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01034	5.4
59.01267	54.5
61.98706	11.3
69.29683	61.5
71.01270	16.6
72.99188	17.7
75.00761	11.2
80.14928	5.2
85.02841	18.7
89.02311	18.5
96.95903	26.7
98.19707	9.9
101.02329	9.5
109.02840	6.5
118.97984	6.3
120.99615	8.6
125.02330	8.0
135.02956	6.1
148.04007	6.4
150.05548	18.6
161.04488	8.5
177.01721	7.1
178.04947	7.3
190.02716	28.5
192.97964	6.0
230.56998	5.2
233.04535	100.0
234.04851	8.3
243.11421	8.6
262.98517	5.7
267.07303	8.1
267.11258	6.3
271.06076	7.1
285.12454	14.1
311.10315	6.6
329.11652	15.8
331.09680	11.8
387.16714	6.6
423.18326	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03320	16.2
59.01264	67.0
59.19776	5.3
60.83364	6.1
70.95962	15.1
71.01259	21.9
72.99174	6.3
73.02836	100.0
74.71915	6.1
78.94720	6.3
83.01292	8.5
85.02840	13.6
89.02342	15.4
101.02341	16.2
106.62180	5.9
113.02389	9.0
118.23505	5.9
120.99549	9.0
125.02370	46.3
125.09628	10.1
126.02665	17.2
135.04486	7.5
137.02330	9.3
145.02898	12.0
149.04477	5.6
150.03166	11.7
150.63757	6.1
165.05515	19.6
180.99579	19.3
182.00020	11.3
182.99081	8.1
195.06619	23.0
199.13356	15.1
208.01552	7.1
208.99124	26.1
209.99457	15.0
231.00999	7.2
243.12416	92.0
250.88173	6.1
274.02725	8.4
284.02890	16.9
286.04385	7.1
287.06689	7.1
287.32333	6.1
318.01654	33.5
405.04816	34.2
406.04623	9.7
423.18689	91.3
424.18628	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84426	0.3
55.01771	5.5
57.03338	3.6
58.00482	0.9
59.01265	30.5
62.03514	0.4
69.03342	1.1
69.49992	2.5
71.01270	48.8
72.01616	0.8
72.99208	2.2
73.02837	26.8
74.03161	0.5
75.00771	1.5
77.08082	0.4
81.03358	0.6
82.68542	0.4
83.01277	11.5
83.01781	0.6
85.02843	24.9
85.99988	1.3
86.03180	0.6
87.00765	3.1
89.02335	8.4
89.02840	0.7
95.01298	3.3
97.02857	2.8
99.00788	9.6
99.04380	0.7
101.02346	56.0
102.02689	1.1
109.02848	0.6
111.00802	2.0
113.02362	18.3
115.03910	2.2
125.02370	2.9
127.11202	0.7
129.01869	1.6
129.12784	0.5
131.03426	3.0
134.03706	0.6
135.04416	0.4
137.02377	0.4
143.03429	2.3
149.04510	1.3
150.59056	0.3
154.38852	0.3
159.02957	3.7
161.04500	18.8
191.05583	0.6
205.03554	0.7
233.06667	2.5
275.09351	0.6
291.18210	74.9
292.18536	5.2
293.08835	1.0
335.17441	0.5
363.23608	0.4
372.87445	0.4
423.22458	100.0
424.22794	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2528
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
50.61430	0.6
50.94566	0.6
59.45816	0.6
62.21620	0.6
78.95785	12.6
98.19760	1.4
110.65946	0.7
110.98444	8.9
114.36246	0.6
119.33768	0.8
163.11259	0.9
167.01083	9.8
174.25667	0.7
182.58675	0.8
185.02199	2.2
239.22021	0.9
255.23322	100.0
256.23654	6.3
302.86438	0.8
311.26520	0.7
341.23953	0.8
368.07349	0.9
423.25259	21.5
424.25598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33546	0.2
55.01766	0.3
57.03330	0.3
58.92910	0.2
59.01270	1.6
61.98705	0.4
62.27216	0.2
65.33113	0.2
65.69406	0.2
69.84053	1.5
71.01269	1.1
72.99203	0.7
73.02844	0.7
77.48426	0.2
79.95625	2.8
80.96412	1.7
83.01275	0.6
84.92301	0.3
85.02849	1.0
87.00787	0.4
88.81473	0.3
89.02341	0.4
94.97989	0.2
95.01220	0.2
96.95912	80.3
98.20471	0.4
99.00829	0.3
101.02338	1.6
102.29012	0.2
103.71796	0.2
108.00733	0.2
109.02846	0.3
113.02354	0.5
122.97495	0.4
123.04429	0.4
125.02387	0.4
137.02397	0.6
138.97038	0.6
143.03464	0.3
149.04538	0.3
150.97061	1.1
151.03755	0.2
152.98550	1.2
153.63266	0.2
163.03949	0.3
177.01779	0.2
180.98085	3.0
241.00253	6.8
242.00407	0.2
267.21982	0.3
289.04761	0.2
355.26917	0.2
361.43622	0.3
425.11304	100.0
426.11627	8.6
426.17853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24573	0.5
52.58215	0.4
55.01765	1.2
59.01254	2.2
61.98714	1.3
68.37421	0.5
70.69752	0.6
70.70078	0.9
71.01258	2.8
72.99201	2.2
73.02831	14.0
75.00758	0.6
85.02869	0.5
87.00768	24.9
93.03361	0.5
96.95922	0.9
97.06476	5.7
105.03354	0.5
106.04169	0.6
117.01847	47.0
118.02187	1.3
121.02829	0.6
131.03409	1.3
132.02127	0.7
133.02863	4.8
134.03658	100.0
135.04497	12.0
136.04739	0.7
137.02347	2.6
139.03922	0.5
142.67192	0.4
160.01582	1.6
177.01892	5.3
178.02663	18.2
179.03345	2.7
191.03516	0.8
225.05492	0.6
231.10324	3.6
234.05247	1.5
263.58414	0.4
275.09293	5.1
307.11917	87.7
308.12286	7.8
425.14597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	17.3
61.74380	1.5
61.98713	7.0
71.56388	2.0
72.36210	1.8
78.91772	3.1
80.91561	13.4
87.02292	1.6
95.04893	2.5
116.97121	2.7
122.36887	1.9
122.38013	1.7
123.04432	2.0
125.09679	2.2
135.08102	2.6
137.09645	3.1
185.11819	4.1
191.14383	1.6
193.08411	3.2
207.10046	12.2
225.11365	2.5
231.09944	2.4
243.17693	1.9
244.55595	1.9
245.19164	3.4
247.09595	6.2
260.10425	3.0
261.18665	1.9
275.20218	2.0
283.16815	2.2
289.18054	12.1
292.09290	2.7
307.19290	13.5
311.16324	2.9
329.17389	64.7
330.17502	3.9
337.14386	2.7
365.15033	100.0
366.15488	8.5
425.30615	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	425.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01255	1.9
60.39577	0.5
61.98697	1.3
63.71147	0.4
65.84232	0.5
67.02176	0.5
70.31994	1.3
70.41512	0.4
71.01266	35.1
72.99197	11.4
73.97520	0.4
78.91765	1.5
87.00766	0.5
95.47167	0.5
96.95879	0.5
96.99252	0.5
97.02840	0.9
97.06471	0.8
103.14004	0.4
108.67895	0.4
115.00274	7.9
121.20377	0.4
123.08011	0.5
125.09618	1.8
128.49178	0.4
133.01350	1.1
141.12778	0.9
146.06404	0.4
153.12753	0.6
162.10300	0.4
163.11206	2.3
165.12802	4.7
173.88446	0.4
179.14366	1.8
181.12245	1.9
193.15947	1.7
209.11769	1.0
223.13396	2.0
235.13501	0.7
247.20732	5.5
273.18622	1.9
291.19714	47.1
292.20050	3.8
309.20764	100.0
309.69418	0.5
310.21130	8.8
363.22070	0.6
381.64172	0.5
407.20822	6.0
408.21222	0.8
425.21866	4.0
425.26511	0.7
425.31287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21658	0.3
57.03331	0.6
59.01265	2.7
61.98705	0.3
62.48880	0.3
64.60217	0.3
70.68333	0.4
70.68663	0.7
71.01269	24.0
72.99194	5.7
76.71217	0.3
83.04923	0.4
87.00764	0.3
97.06475	0.4
99.00797	0.7
109.06520	0.8
111.08056	1.4
115.00292	4.7
121.06474	0.4
123.08064	0.3
125.09641	0.8
127.07530	0.3
127.11227	1.4
133.01340	1.3
149.26602	0.3
151.11209	0.5
153.09155	0.4
153.12784	3.5
155.10701	1.3
165.09018	0.4
165.12814	0.9
167.10699	1.4
169.12286	0.6
169.42082	0.3
171.46509	0.4
179.10715	0.5
179.14337	1.0
181.12309	2.5
193.15947	0.5
197.11813	1.6
199.13403	1.0
207.13951	1.7
209.11835	0.3
215.12895	1.2
226.12216	0.4
227.12851	0.9
228.13625	0.5
235.13394	0.4
247.20743	3.5
248.20918	0.3
263.20245	0.5
265.21848	0.7
273.18646	2.1
281.21313	1.0
291.19711	20.1
292.20065	2.1
307.19119	1.1
309.20770	100.0
310.21106	9.0
319.22766	0.4
407.20804	2.5
407.33270	1.3
418.59961	0.3
425.34604	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	425.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
58.20570	0.4
59.01260	0.9
71.01271	31.8
71.57291	0.8
72.99197	9.8
85.07701	0.4
87.00793	0.7
97.06488	0.7
97.70300	0.5
113.09594	1.1
115.00288	11.5
133.01350	7.1
141.09056	0.5
141.30743	0.5
153.12741	0.5
165.12837	2.1
167.14439	0.9
181.12267	2.3
183.13858	1.2
192.31033	0.4
193.12292	0.9
195.13814	1.2
197.11699	0.5
211.13341	2.2
221.15475	1.2
240.13666	0.9
247.20731	3.4
273.18732	1.9
281.21219	0.9
291.19739	21.2
292.20142	1.8
309.20789	100.0
310.21130	8.6
363.21954	0.9
367.67450	0.5
370.27881	0.6
382.09402	0.4
407.20721	4.9
425.21954	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	425.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	100.0
60.01595	0.7
61.98713	0.4
71.01265	2.6
72.99202	0.9
79.42471	0.2
83.32098	0.2
96.15929	0.2
98.20548	0.7
115.00320	0.5
148.53223	0.2
165.12785	0.4
179.14369	0.3
197.11841	0.9
247.20807	0.4
291.19717	5.5
292.20059	0.5
309.20743	10.9
310.21259	0.8
407.20721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45522	0.5
55.01767	3.7
59.01278	2.0
61.98719	2.6
67.01778	0.8
69.03342	100.0
69.43762	4.0
70.03681	1.8
71.01266	2.3
72.99197	2.1
73.02841	6.3
75.00754	0.6
79.01783	1.1
83.01308	0.4
85.02861	1.5
86.73126	0.4
87.00774	0.6
89.02349	0.6
93.03346	1.0
95.01284	2.7
96.95918	2.2
97.02849	19.7
99.00778	25.2
100.01143	0.8
111.00811	0.7
113.02305	1.0
119.49196	0.5
123.00843	0.8
130.41551	0.4
135.02893	2.5
135.04465	0.5
137.02376	1.9
141.01878	7.0
147.06581	1.4
159.02994	0.5
185.00883	76.5
186.01234	1.9
197.11736	2.2
203.01958	6.7
234.63800	0.4
241.10800	2.4
380.60126	0.5
427.12485	14.7
428.12827	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	427.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01589	0.9
66.58056	0.3
68.63732	0.3
71.01275	0.7
71.35950	0.6
73.02843	0.4
75.00758	0.4
79.91805	0.4
87.00771	0.8
89.02316	0.5
98.95499	0.4
101.02349	0.3
102.61776	0.3
113.02301	0.4
114.53189	0.3
117.01863	0.5
117.35854	0.4
119.03545	0.3
119.04973	0.9
121.02866	43.0
122.03201	1.2
134.03659	0.7
135.02988	0.9
135.04395	0.5
137.02412	0.4
154.62035	0.4
161.04544	0.3
163.04028	0.8
180.03223	0.6
295.23294	0.4
316.52835	0.3
413.45035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.9
57.03336	100.0
58.03673	1.7
58.49022	0.7
59.01263	73.3
60.01609	1.1
61.14822	0.7
71.01270	19.5
71.01667	1.0
73.02841	5.3
81.03360	1.9
83.01287	3.5
85.02841	9.4
89.02346	1.8
95.01270	1.7
99.00799	2.4
99.04415	79.2
100.04770	1.1
101.02341	31.8
113.02353	7.3
125.02364	23.5
125.03243	1.3
143.03464	2.3
159.02991	2.1
161.04515	8.2
219.37494	0.7
229.15503	0.8
283.11932	25.1
284.12408	1.7
325.13147	1.5
365.16272	0.9
427.16089	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	427.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.7
57.03337	100.0
58.03674	0.8
59.01263	82.8
61.98743	1.1
69.50389	1.5
69.50793	5.6
69.85015	0.8
71.01270	16.8
72.99187	1.3
73.02824	7.2
74.72337	0.6
75.00772	0.8
81.03380	1.3
83.01284	3.9
83.04937	0.9
85.02839	10.6
87.00777	1.3
89.02352	2.4
90.73901	0.8
95.01283	2.0
98.19798	1.4
99.00797	3.1
99.04415	69.1
100.04732	1.5
101.02345	29.6
113.02341	6.9
119.03431	0.8
119.04990	1.5
125.02361	23.1
125.03234	1.3
135.02913	1.3
143.03450	1.5
151.03976	0.9
155.08170	0.7
159.02936	1.5
161.04491	6.9
163.03981	1.2
251.29941	0.7
283.11920	20.1
284.12497	0.8
303.41354	0.8
325.13089	2.7
365.16211	1.0
427.16388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	100.0
58.00482	1.2
58.03677	1.2
59.01262	67.0
60.01594	0.9
65.50327	0.6
69.49148	5.6
71.01270	24.8
72.99199	1.1
73.02838	17.6
79.05425	1.5
81.03376	2.1
83.01280	6.3
85.02827	3.6
87.00791	0.7
89.02335	16.4
95.01292	1.6
97.06531	1.7
99.04416	63.8
100.04774	1.9
101.02344	38.1
113.02354	10.3
113.06023	2.5
119.03420	5.7
123.04424	10.1
125.02364	20.3
125.03239	1.3
131.03461	2.5
141.05530	2.4
143.03397	3.1
149.04536	1.7
153.05501	1.4
159.80067	0.7
161.04495	5.4
179.05602	3.0
189.07730	0.7
221.06622	0.9
285.66653	0.7
427.16345	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92279	0.5
59.01263	100.0
60.01606	1.2
61.98717	0.6
67.58611	0.5
68.75123	0.5
71.01300	0.9
75.00760	1.1
75.28342	0.6
89.02324	1.0
89.44913	0.6
91.03911	2.8
96.95928	0.9
116.40341	0.6
158.83249	0.6
179.08089	0.6
187.83293	0.6
190.06683	0.6
293.21219	4.1
311.22427	2.3
425.27170	5.8
426.27231	0.6
427.23807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01613	1.0
70.95403	0.9
79.59071	0.4
134.58276	0.3
244.14340	0.3
293.21329	5.5
308.24960	0.4
330.05643	0.7
367.25143	0.5
414.27979	0.4
427.28635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67934	0.3
53.00844	0.3
59.01263	100.0
60.01595	1.0
61.98717	1.1
83.14011	0.3
87.05524	0.4
89.02360	0.6
91.03905	3.1
93.42010	0.3
98.19815	1.4
100.03438	0.3
156.75996	0.3
171.10284	0.4
195.13873	0.7
203.02046	0.3
229.70981	0.4
275.20355	1.2
293.21292	12.3
293.24438	0.7
294.21686	1.1
306.21201	0.4
336.51468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01262	3.0
61.98714	0.6
69.03342	1.5
71.01275	3.8
71.04987	0.5
72.99193	1.3
73.02829	0.7
74.04876	0.3
75.00761	0.7
81.03345	1.1
81.30846	0.4
83.01273	0.6
85.02840	3.4
87.00776	0.8
89.02349	0.6
93.03360	1.3
95.01277	2.0
98.19844	0.3
99.00782	0.8
101.02371	1.5
103.15997	0.3
104.89120	0.3
107.01322	0.3
107.04968	0.4
108.02075	62.9
109.02875	27.6
110.03207	0.7
113.02351	5.5
121.02862	1.8
123.00803	1.1
123.04429	1.1
125.02350	0.5
133.02908	0.9
134.03665	0.6
135.02953	2.2
135.04440	0.6
137.02368	0.5
149.06017	1.0
151.03966	1.8
152.01091	62.4
153.01880	24.1
154.02216	0.6
161.02420	0.5
161.04517	0.6
163.03949	1.4
163.96259	0.3
165.01875	2.1
167.03491	0.4
176.04759	0.7
177.09166	1.0
195.02972	0.4
205.08742	1.2
206.09479	0.5
207.10307	0.9
239.07246	0.3
249.11354	1.7
267.12277	1.1
293.10266	0.4
315.07278	100.0
316.07617	5.4
429.10361	29.7
430.10760	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	429.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25952	0.7
57.03337	1.7
58.00463	2.9
58.52785	0.9
59.01262	100.0
59.51903	0.8
60.01590	1.0
60.98631	1.0
68.15627	0.8
69.03325	0.9
71.01268	51.0
71.35014	1.8
72.99194	4.0
73.02843	2.6
75.00764	1.0
81.06967	2.1
83.01265	3.1
85.02837	11.1
87.00758	2.6
89.02334	61.2
90.02681	0.8
95.01261	3.0
99.04420	8.9
101.02340	27.0
111.04430	3.2
113.02356	19.8
113.05960	1.1
117.25817	0.9
119.03414	29.2
121.73312	1.2
123.04449	1.4
131.03395	2.2
135.02829	1.3
143.03426	3.4
149.04475	2.6
161.04504	4.1
161.13316	20.1
162.13631	1.6
167.03423	6.9
179.05553	11.1
187.11259	5.4
191.03401	2.7
205.12317	70.9
206.12651	5.9
207.13895	1.8
227.55255	0.8
231.10309	1.7
249.11345	81.7
250.11607	4.5
267.12399	1.2
269.13754	1.0
385.18909	2.4
390.75253	0.9
429.17630	28.0
430.18015	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03344	1.0
58.00481	1.9
59.01263	100.0
60.01606	0.9
70.97752	1.0
70.98106	0.6
71.01269	28.9
72.99199	2.3
73.02852	0.9
81.07004	1.0
83.01282	1.3
83.04903	0.5
85.02842	5.5
85.40081	0.4
87.00787	1.6
89.02337	32.7
93.82536	0.4
95.01306	1.6
95.04930	0.4
99.04408	3.3
101.02345	13.2
109.02885	1.0
113.01626	0.7
113.02360	10.0
119.03410	12.7
125.02499	0.5
131.03455	1.6
134.03690	1.9
135.02928	1.1
135.04491	0.5
137.02333	0.6
137.09665	0.7
143.03456	2.1
149.04530	1.3
151.03983	0.4
159.75787	0.4
161.04504	2.6
161.13297	9.7
162.13722	0.6
179.05586	6.3
187.07628	2.2
187.11264	1.2
202.06400	0.9
205.12329	18.6
206.12753	1.2
223.13342	0.9
231.10349	1.8
249.11356	36.0
250.11583	2.5
267.12451	1.1
267.15921	1.0
275.09354	0.9
406.64627	0.4
429.17465	13.4
430.18137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03344	1.0
58.00481	1.9
59.01263	100.0
60.01606	0.9
70.97752	1.0
70.98106	0.6
71.01269	28.9
72.99199	2.3
73.02852	0.9
81.07004	1.0
83.01282	1.3
83.04903	0.5
85.02842	5.5
85.40081	0.4
87.00787	1.6
89.02337	32.7
93.82536	0.4
95.01306	1.6
95.04930	0.4
99.04408	3.3
101.02345	13.2
109.02885	1.0
113.01626	0.7
113.02360	10.0
119.03410	12.7
125.02499	0.5
131.03455	1.6
134.03690	1.9
135.02928	1.1
135.04491	0.5
137.02333	0.6
137.09665	0.7
143.03456	2.1
149.04530	1.3
151.03983	0.4
159.75787	0.4
161.04504	2.6
161.13297	9.7
162.13722	0.6
179.05586	6.3
187.07628	2.2
187.11264	1.2
202.06400	0.9
205.12329	18.6
206.12753	1.2
223.13342	0.9
231.10349	1.8
249.11356	36.0
250.11583	2.5
267.12451	1.1
267.15921	1.0
275.09354	0.9
406.64627	0.4
429.17465	13.4
430.18137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.3
59.28947	0.3
70.00854	1.5
94.80169	0.3
98.41032	0.3
99.00790	0.5
99.92479	4.1
100.93262	2.9
115.91985	100.0
116.91990	5.3
116.92777	5.7
132.92264	0.8
151.03960	0.9
172.95439	7.1
207.06650	0.4
208.07184	0.4
221.08185	8.6
222.08899	2.6
235.09846	0.8
255.23325	0.9
355.15948	0.8
362.60770	0.4
371.14978	0.4
381.17490	0.6
429.19589	5.7
429.26532	8.8
430.19611	1.1
430.26718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03335	7.3
58.00475	1.1
59.01261	100.0
60.01608	0.7
61.98745	0.3
62.06560	0.3
62.13755	0.3
69.03344	3.1
71.01266	20.4
71.13683	0.7
72.99200	1.7
73.02830	0.9
75.00768	1.0
81.03353	1.7
83.01276	0.8
85.02845	3.0
87.00761	1.6
89.02334	29.0
95.01297	1.2
96.96008	0.4
97.02866	0.8
99.00784	0.6
99.04416	2.8
101.02342	12.5
101.03013	0.6
109.02869	0.7
113.02352	8.4
113.31108	0.3
119.03416	11.1
125.02351	1.0
131.03450	1.1
134.03653	3.1
135.02913	2.3
135.04408	1.0
136.01604	1.0
137.02420	1.0
139.03955	1.5
143.03432	2.7
149.04521	1.4
151.03951	0.6
161.04491	3.2
178.99936	0.4
179.05553	8.4
181.05052	1.7
185.00856	2.7
187.07605	1.2
189.12805	0.5
196.07428	1.7
202.06342	0.5
205.12289	0.4
211.09723	2.9
223.13345	0.6
231.10286	2.0
232.10669	0.4
249.11461	0.6
272.45462	0.3
275.09268	0.9
293.10403	0.8
297.13593	0.7
306.76959	0.3
311.11374	1.5
393.12335	0.4
411.13080	0.6
429.08533	0.6
429.13919	0.8
429.21622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.9
57.89869	0.2
58.00471	0.3
59.01260	100.0
59.78949	0.2
60.01595	0.8
64.90370	0.2
69.03351	0.7
69.50721	1.6
71.01263	4.0
73.02822	0.5
75.00778	0.4
75.18639	0.2
85.02835	1.2
89.02329	5.4
95.01273	0.5
97.02843	0.4
98.20520	0.5
99.00793	0.3
99.04415	0.6
101.02351	2.4
109.02856	0.3
113.02348	1.8
119.03408	2.0
123.04454	0.8
125.02370	0.4
134.03659	1.1
135.02930	1.1
135.04521	0.2
136.01625	0.4
143.03419	0.8
149.04512	0.3
151.03938	0.3
161.04506	1.3
179.05563	3.5
185.00887	0.6
269.47498	0.2
293.10437	0.3
308.51855	0.2
311.11539	0.5
323.09891	0.4
429.14288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03319	0.3
57.55286	0.3
58.00485	0.7
59.01262	100.0
60.01595	0.9
61.98726	0.5
63.30367	0.3
69.90515	1.0
69.90913	0.6
71.01266	11.5
72.99199	0.6
73.02843	0.4
83.01255	0.5
85.02849	1.9
87.00780	0.6
89.02335	16.1
95.01292	0.4
97.28317	0.3
99.00774	0.3
101.02344	5.9
109.02893	0.2
113.02364	5.3
119.03415	6.9
131.03476	0.6
137.09676	1.9
143.03459	1.6
149.04489	0.7
161.04538	2.0
179.05585	5.2
301.64590	0.3
429.21915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60236	0.4
53.95599	0.3
55.01761	0.4
57.03336	0.9
58.00478	0.7
59.01264	100.0
60.01605	0.8
69.52525	1.6
69.52953	1.0
71.01270	15.9
72.99172	0.9
73.02838	0.8
73.77100	0.3
83.01286	0.8
85.02837	3.2
87.00779	0.9
89.02337	19.7
90.88422	0.3
95.01312	0.8
99.04436	0.8
100.31666	0.3
101.02354	7.6
109.02865	0.9
113.02360	6.0
119.03411	8.4
131.03452	1.1
135.71619	0.3
137.09665	2.1
143.02481	0.3
143.03424	1.7
143.04454	0.3
149.04543	0.7
153.01906	1.7
161.04486	2.2
161.13345	1.5
179.05605	4.6
205.12323	3.8
206.12776	0.5
249.11324	4.4
249.13383	0.4
295.57245	0.4
312.37253	0.4
312.80508	0.4
429.22101	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	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.94497	0.3
60.01603	1.0
71.01283	0.6
71.06609	0.9
89.02329	0.6
91.03903	2.2
92.54026	0.3
113.02314	0.3
152.99556	0.5
167.78532	0.3
195.13954	1.1
254.04021	0.3
277.21768	0.9
295.22833	12.5
296.23270	0.8
340.17905	0.3
348.67749	0.3
396.86566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.94497	0.3
60.01603	1.0
71.01283	0.6
71.06609	0.9
89.02329	0.6
91.03903	2.2
92.54026	0.3
113.02314	0.3
152.99556	0.5
167.78532	0.3
195.13954	1.1
254.04021	0.3
277.21768	0.9
295.22833	12.5
296.23270	0.8
340.17905	0.3
348.67749	0.3
396.86566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16422	0.2
54.29021	0.2
59.01261	0.4
60.55346	0.2
61.29514	0.2
63.02271	0.4
65.00211	0.3
69.06043	0.2
69.42697	0.6
69.43129	1.1
72.63589	0.2
76.71056	0.2
83.01298	0.3
91.01786	0.2
93.03356	0.8
107.01289	1.4
109.02851	0.6
117.03292	0.2
125.02327	0.3
130.04132	0.2
131.04918	0.2
132.02087	0.7
132.74196	0.2
135.00780	1.3
137.02353	0.4
141.07100	0.2
143.04959	0.7
151.00293	0.8
153.01855	0.5
157.06493	0.5
157.99095	0.2
159.04445	0.7
163.00346	1.6
164.01080	0.3
165.01813	0.4
167.04950	0.5
169.01427	0.2
169.06421	0.4
171.04431	0.6
183.04433	1.0
185.06084	2.0
187.03947	2.3
189.05507	0.7
191.98381	0.2
195.04512	0.5
196.05309	0.3
197.06001	0.8
199.03963	1.0
201.05475	0.4
211.03984	1.9
212.04510	0.2
213.05565	1.1
214.02629	0.2
215.03523	0.3
217.04785	0.2
223.03975	0.4
227.03491	36.0
228.03853	2.1
229.05061	7.5
230.05365	0.6
239.03508	1.2
240.04207	0.7
241.05069	1.2
243.03111	0.3
255.03018	51.5
256.03586	5.7
257.04581	4.8
258.04965	0.3
267.02933	0.8
283.02460	0.3
284.03317	53.0
285.04077	100.0
286.01236	0.4
286.04431	7.8
299.05820	0.3
327.05191	0.5
431.09894	64.9
432.10214	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	431.1202
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
56.12907	0.3
56.49553	0.3
57.03339	0.7
57.59597	0.3
59.01264	6.5
66.36422	0.3
69.03340	3.0
71.01266	3.4
71.04911	4.3
71.55708	0.5
73.02833	0.9
75.00760	0.7
80.63943	0.3
81.03343	0.7
81.81457	0.3
83.01286	1.2
85.02867	1.3
87.00826	0.3
88.98709	0.4
89.02342	3.8
93.03356	9.1
93.03928	0.6
93.39433	0.3
95.01302	1.1
96.95934	1.0
97.02857	2.5
99.00803	0.7
101.02345	2.2
103.86298	0.3
105.01895	0.4
107.01304	1.0
109.02863	1.4
111.04385	0.4
113.02342	1.8
117.01791	0.3
117.05489	10.8
119.03436	1.5
120.99581	0.4
121.02866	1.0
123.00798	5.5
123.04424	1.4
124.01585	18.6
125.02365	42.0
126.02689	1.1
131.03409	0.5
135.04431	0.6
136.01599	0.7
137.02371	28.6
138.02754	1.1
139.03976	0.4
149.02423	1.7
149.04543	0.4
149.99530	26.3
151.00302	2.1
151.03941	1.1
161.02403	0.9
161.04532	1.0
163.00302	0.3
163.03801	0.4
165.01843	0.6
167.03455	1.2
168.00595	47.4
169.01338	5.6
177.01923	0.6
179.03456	0.8
179.05566	1.1
193.01376	0.6
205.01578	0.4
208.11032	0.3
209.02733	0.5
209.04543	4.5
209.11819	0.9
256.03735	0.3
263.60385	0.3
313.05716	5.0
385.18488	1.1
413.11008	2.0
414.11377	0.4
431.11984	100.0
432.12347	7.6
443.55600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81121	0.7
51.32197	0.7
53.52832	0.7
54.92241	0.7
57.03341	0.9
59.01260	20.8
59.03304	0.7
61.98708	1.4
69.36353	0.7
69.92437	3.6
71.01266	6.9
73.02827	2.2
81.02691	0.8
81.03321	1.2
85.02836	6.1
87.00764	2.1
89.02325	16.3
93.03374	1.1
95.01298	2.7
101.02337	3.8
108.02072	39.9
109.02161	1.7
109.02863	32.9
113.02341	3.0
121.02836	1.8
123.00800	2.6
123.04433	1.6
125.02356	2.6
133.02853	0.9
133.04993	7.0
137.02376	2.1
140.40314	0.7
149.02234	0.7
149.87646	0.9
151.03922	2.3
152.01086	63.1
153.01877	32.7
154.02209	1.0
159.02965	0.8
161.04446	1.8
165.01912	1.4
168.00552	1.6
179.03505	1.4
194.05765	1.2
209.08177	3.1
257.02509	0.8
283.89844	0.8
297.06061	7.8
315.07248	13.4
316.07672	1.0
387.09479	7.0
431.12003	100.0
432.12338	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	431.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87405	0.5
53.83612	0.5
56.87349	0.5
57.03329	1.0
59.01004	0.6
59.01265	8.8
69.03343	2.7
69.87223	3.1
71.01270	4.6
72.99202	1.5
73.02811	1.5
73.61476	0.6
75.00732	0.7
81.03343	1.3
83.01267	1.6
85.02831	2.2
87.00746	0.6
88.98689	0.9
89.02359	1.2
92.63706	0.6
93.03356	17.6
95.01277	1.3
96.95898	2.0
97.02850	2.1
101.02333	3.4
105.01778	0.6
107.01278	0.9
109.02834	1.1
111.97281	0.6
113.02322	1.7
117.05458	3.2
119.03394	1.4
121.02859	0.8
123.00787	6.3
123.04416	1.4
124.01584	23.6
124.47130	0.5
125.02368	55.5
126.02682	1.7
135.04393	0.7
137.02371	39.9
149.99527	30.3
151.00203	2.1
151.03926	3.7
161.02426	1.1
161.04509	1.1
163.03879	0.8
167.03372	1.0
168.00597	59.5
169.01360	8.3
177.01871	0.6
179.03468	2.0
179.32945	0.5
191.05666	1.1
193.01248	0.8
289.07379	0.6
289.58972	0.6
313.05722	2.3
317.07730	0.7
331.06714	0.9
373.07877	0.8
413.10876	2.5
431.11945	100.0
432.12219	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	431.1566
Annotation	8-O-Acetylmussaenoside
Peak:m/z	Relative Intensity
57.03333	0.8
59.01263	100.0
60.01596	0.7
61.98717	2.4
70.80376	1.0
70.80721	0.6
71.01267	10.0
73.02838	3.2
83.01295	1.6
85.02848	4.5
87.00764	1.0
88.98694	0.7
89.02351	2.1
95.01283	0.9
97.02907	0.8
99.00816	1.2
101.02338	8.8
113.02352	5.0
119.03384	0.9
124.01616	0.5
125.02381	3.9
137.02391	0.5
138.01909	0.7
138.05507	0.5
143.03464	0.6
149.99557	0.8
151.00293	0.6
151.04047	1.1
158.84897	0.4
161.02412	3.0
161.04491	4.5
168.00661	1.7
169.01465	0.7
176.04738	2.8
179.03514	5.5
179.05591	0.9
191.07176	1.2
194.05818	6.7
209.08174	17.2
210.08563	1.0
263.07877	0.7
269.10391	5.8
289.07376	0.7
290.00674	0.6
331.06689	0.7
341.16803	0.4
343.14026	0.5
431.07526	0.7
431.16116	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03329	2.8
59.01263	98.9
60.01592	1.0
61.98712	1.1
62.67443	0.5
69.03341	1.3
71.01267	13.7
71.04918	0.7
71.55999	1.0
71.56402	0.9
72.19131	0.5
72.99200	0.9
73.02831	12.0
75.00771	1.4
78.95789	0.9
83.01276	14.9
83.04907	0.9
85.02843	3.0
87.00778	1.1
88.98696	2.4
89.02326	4.1
91.41773	0.6
95.01270	1.2
96.95915	0.6
97.02831	0.6
97.06478	0.6
99.00779	0.8
99.04417	17.7
99.05074	0.9
100.04731	0.8
101.02351	11.5
101.31800	0.5
109.02872	0.7
109.06476	0.7
113.02350	7.4
119.03404	1.8
119.04935	0.8
121.06563	0.8
123.04469	0.7
125.02387	2.1
125.05927	0.6
135.02925	1.8
135.04463	1.5
138.64345	0.6
143.03392	1.3
147.11774	0.7
151.03859	0.6
159.04491	0.8
161.04524	2.8
163.07573	1.0
165.12816	4.5
173.06116	0.6
177.38496	0.5
179.03470	0.9
179.05583	1.1
185.05995	0.9
187.04004	0.9
187.07570	3.7
189.12842	3.8
189.14235	0.7
201.05444	0.7
202.06332	2.4
203.06831	0.8
207.13872	11.5
209.11809	34.7
210.12076	1.5
211.04124	0.6
213.95195	0.6
225.14998	6.9
227.03488	6.9
229.05008	1.6
231.10191	2.9
231.13876	1.3
251.12898	7.5
251.15472	0.6
251.16557	0.8
252.13393	0.7
255.03027	11.5
256.03592	1.4
257.04562	0.7
265.14532	0.7
269.13983	100.0
270.14316	6.8
275.09308	3.1
275.12860	4.1
284.03317	9.3
285.04077	15.5
286.04361	1.2
293.13983	1.2
311.15005	6.1
341.16086	3.6
371.16986	11.1
371.21039	2.0
372.17413	1.1
393.11835	2.6
431.10162	10.1
431.18997	25.5
432.10129	0.7
432.19492	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	431.2211
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
56.78814	0.2
59.01260	0.2
62.96277	0.2
69.28094	0.6
69.28503	1.5
78.95790	49.3
96.96857	5.6
101.43585	0.2
104.41042	0.2
112.62847	0.2
127.41033	0.2
129.06183	0.2
136.64311	0.2
150.97943	1.6
152.99518	100.0
153.99821	1.6
171.00589	4.1
263.74872	0.2
277.21677	0.6
431.22064	7.3
431.27948	0.3
432.22311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27215	0.3
59.01261	5.0
62.96286	0.3
71.01256	0.5
76.95148	0.3
78.95792	70.0
81.54116	0.3
96.96861	5.2
149.78110	0.3
150.97922	1.9
152.99522	100.0
153.99879	1.2
161.04510	0.3
171.00600	3.3
205.15492	0.3
227.03419	0.4
257.23178	0.4
277.21838	1.3
285.04059	0.4
333.67554	0.3
406.21570	0.3
431.22079	13.4
432.22626	2.0
449.51428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67412	0.3
57.03332	0.7
59.01262	100.0
60.01593	1.0
65.83112	0.3
69.75764	0.4
71.01270	4.8
71.16564	0.6
71.16898	0.4
72.99165	0.3
73.02835	1.1
80.92419	0.4
83.01263	1.0
85.02850	1.5
87.00784	0.7
88.98682	0.5
89.02335	3.9
99.04431	1.2
101.02335	4.6
108.46311	0.4
113.02335	2.5
119.03390	2.0
123.28021	0.4
125.02346	0.6
151.60345	0.4
156.46307	0.3
159.03004	0.5
161.04491	2.7
175.04062	0.4
179.05606	0.8
209.11874	1.4
213.05888	0.3
227.03554	1.6
229.04979	0.6
249.04858	0.4
251.12979	0.4
255.03073	2.0
257.04797	0.6
269.13980	4.8
284.03354	2.9
285.04132	3.9
371.16504	0.7
371.20840	8.8
371.25110	0.7
372.21289	0.6
431.09995	2.5
431.23322	2.3
432.09921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48169	0.4
51.82325	0.4
52.35622	0.4
55.01764	0.7
57.03341	0.5
58.00475	0.6
59.01263	100.0
60.01598	0.9
61.30356	0.4
61.98705	0.9
63.02287	0.4
70.87228	1.3
71.01265	13.1
72.99199	1.2
73.02834	38.9
74.03162	0.7
83.01279	1.1
85.02839	3.4
87.00759	1.0
88.98701	1.4
89.02334	12.4
92.85235	0.4
95.01287	1.2
96.95874	0.5
99.00780	0.4
99.04412	0.6
101.02341	9.4
109.02876	0.6
113.02354	4.2
119.03407	5.7
119.04901	0.8
125.02355	0.8
130.60895	0.4
131.03418	0.7
135.04482	0.5
143.03439	1.2
149.04451	0.6
151.00343	0.7
161.04533	2.6
163.03952	0.8
167.03452	1.1
179.05557	3.1
182.54402	0.4
187.03958	0.4
191.00856	0.4
209.15375	0.5
227.03482	7.3
228.03889	0.7
229.04970	2.0
251.12874	1.1
251.16582	4.2
255.03017	10.5
256.03592	2.0
257.04562	1.2
275.09180	0.4
284.03320	11.4
285.00980	0.9
285.04095	16.1
286.04413	1.3
309.54010	0.5
339.28708	0.4
344.10294	1.2
371.20804	3.0
431.10043	9.9
431.22946	43.1
432.10233	1.4
432.18805	0.4
432.23431	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	431.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51285	0.6
53.36810	0.5
55.01762	0.8
57.03331	1.7
58.00491	0.6
59.01264	100.0
60.01603	4.3
61.01682	3.3
61.98716	24.5
63.62072	0.5
65.16174	0.6
69.03364	0.8
70.41943	2.2
71.01268	16.2
71.43351	0.5
72.01598	0.7
72.99218	1.8
73.02839	3.6
75.00777	0.6
78.20333	0.5
83.01289	2.3
85.02847	5.8
87.00777	1.2
88.98713	1.0
89.02335	10.3
90.02697	0.6
91.02773	1.3
93.03401	0.7
95.01284	1.6
99.00784	1.6
99.04415	1.1
101.02353	10.5
102.02695	0.7
111.00813	0.6
113.02354	5.6
117.97267	1.5
119.03422	3.2
119.04934	0.6
123.08005	0.6
125.02414	1.6
135.02917	0.9
135.04425	0.9
137.02370	0.9
142.34166	0.6
143.03395	0.9
159.03026	0.8
161.04498	6.3
161.13326	1.3
163.03983	0.9
177.01920	2.2
179.05560	1.1
183.02921	0.8
205.12378	1.3
209.11844	1.1
215.07028	0.9
217.57693	0.6
235.33751	0.5
241.01465	0.6
249.11446	2.5
250.11755	1.8
251.12413	2.1
255.03192	0.8
268.03824	1.0
269.14029	0.9
269.17706	0.7
271.02567	0.7
284.03406	0.9
285.04214	1.4
310.45978	0.6
371.20782	16.9
372.21100	1.4
431.09995	1.0
431.17935	4.9
431.23889	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87978	0.3
58.34948	0.3
59.01263	100.0
60.01605	0.9
60.77043	0.3
60.95262	0.3
61.81664	0.3
71.56012	0.6
74.96115	0.3
75.02367	0.3
78.95782	0.4
84.29560	0.3
89.02348	0.4
91.03899	1.5
94.06353	0.3
95.66724	0.3
152.99516	0.6
224.63464	0.3
255.78580	0.3
285.04041	0.4
297.24335	2.4
298.24725	0.3
398.77750	0.3
431.31818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.5
57.59742	0.4
59.01263	16.6
60.01597	1.4
61.01683	1.2
61.98717	100.0
69.38078	1.2
69.38499	2.1
71.01270	4.2
72.99208	0.9
73.02847	0.7
83.01274	0.4
85.02858	1.1
87.00771	0.3
89.02341	2.9
90.32267	0.3
91.39845	0.3
98.20534	0.6
99.38390	0.3
101.02383	1.9
107.01334	0.5
109.02912	0.4
113.02368	1.5
119.03438	1.4
125.02389	0.8
135.02954	0.4
135.04482	0.5
143.03500	0.7
151.00356	1.2
161.04573	0.7
178.99840	0.6
179.05562	0.8
201.03853	0.3
211.04079	0.4
243.03046	1.0
255.03094	1.2
271.02567	3.4
286.01346	0.4
299.02011	0.5
300.02802	4.0
301.03635	4.2
360.05203	0.4
432.23676	0.4
432.57770	0.4
433.07825	4.4
433.24741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0786
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.65189	0.2
59.01261	4.4
61.77417	0.2
63.02271	0.6
65.00192	1.4
69.43445	1.8
69.43859	0.4
71.01270	0.7
83.01278	1.2
83.94831	0.2
89.02327	0.3
91.01765	0.5
98.19760	0.2
101.02320	0.5
106.02286	0.2
107.01291	3.0
108.02087	1.8
109.02872	1.7
118.75111	0.2
119.01279	0.3
121.02869	2.8
124.01571	0.4
125.02399	0.4
135.00790	1.7
137.02286	0.2
139.03914	0.5
148.01599	2.0
149.02412	0.4
151.00298	12.1
152.00780	0.4
153.01776	0.3
159.04532	0.3
163.00319	3.4
163.03946	0.3
164.01161	1.1
165.01941	0.3
169.01350	0.5
172.05125	0.3
173.05959	0.3
175.04015	0.4
178.99828	6.2
183.04561	0.5
187.03944	0.7
188.04710	0.3
190.99832	0.5
198.03105	0.5
199.03976	0.9
200.04749	0.2
201.01958	0.4
201.05553	0.6
202.02740	0.3
203.03551	0.5
211.03949	1.4
215.03448	0.8
216.04269	0.8
226.02721	3.0
227.03476	4.5
227.24403	0.3
228.04034	0.5
229.01308	0.3
229.05025	1.0
239.03372	0.3
243.03003	14.9
244.03268	1.1
245.04514	1.8
254.02238	3.4
255.03006	29.8
256.03400	1.9
266.01938	0.3
271.02518	73.2
272.02979	6.5
273.03885	1.1
283.02548	1.7
299.02121	1.8
300.02786	100.0
301.03528	55.3
302.03876	3.5
303.40689	0.3
433.07800	61.2
434.08054	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71376	0.2
59.01263	16.8
60.48643	0.2
63.02273	1.2
63.17033	0.2
64.37811	0.2
65.00212	1.5
71.01271	1.1
71.13317	0.6
71.13691	0.3
72.99213	0.3
81.12900	0.3
83.01281	1.4
85.02853	0.4
89.02356	1.0
91.01794	0.3
93.03363	0.7
95.01298	0.3
101.02364	0.4
105.02470	0.3
107.01291	4.2
108.02076	1.3
109.02859	2.9
113.02328	0.5
119.01246	0.5
119.03415	0.6
121.02861	4.0
124.01579	0.4
125.02348	0.5
135.00818	0.8
139.04022	0.4
143.03415	0.3
146.03632	0.3
148.01604	1.7
149.02414	0.9
151.00308	17.6
152.00688	0.9
153.01978	0.3
157.06514	0.3
159.04456	0.5
163.00316	4.1
163.03993	0.3
164.01070	1.0
165.01851	0.4
167.04947	0.3
169.01398	0.8
171.04424	0.5
173.06110	0.2
175.04008	0.3
178.99831	10.3
180.00296	0.5
183.04517	0.8
185.06073	0.7
187.04008	0.7
190.99893	0.5
192.00685	0.7
193.01404	0.5
196.72725	0.2
198.03076	0.3
199.04001	1.1
201.01997	0.4
201.05562	0.8
203.03534	0.4
211.03961	2.3
212.04645	0.5
213.01862	0.5
215.03490	0.6
216.04272	0.6
225.05554	0.4
226.02689	1.4
227.03558	3.7
227.07123	3.2
228.04022	0.7
228.07510	0.3
229.04976	1.7
231.03130	0.3
239.03491	0.6
243.00475	0.5
243.03021	10.3
244.03413	0.6
245.04564	2.8
253.05147	2.6
254.02191	2.1
254.04681	0.3
255.03024	28.3
256.03458	2.2
257.04596	0.6
266.02322	0.3
271.02533	55.8
271.06033	5.0
272.02963	5.6
272.06177	0.4
273.04062	2.2
283.02557	2.7
299.02127	1.6
300.02798	100.0
301.03546	97.2
302.03931	6.6
433.07785	60.8
433.24060	0.5
434.08105	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	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13187	0.3
55.01787	0.3
55.66127	0.2
57.03326	0.5
59.01262	5.8
63.02274	2.4
65.00204	7.5
67.01765	0.3
68.06659	0.2
69.03316	0.2
71.00961	0.3
71.01266	2.9
71.56840	0.4
72.99192	0.5
73.02812	0.6
74.82784	0.2
75.00743	0.6
81.03340	0.5
81.98062	0.2
83.00819	0.4
83.01277	6.5
83.66087	0.3
85.02839	1.5
87.00740	0.6
87.04383	0.5
89.02338	1.6
93.03361	4.4
95.01278	0.3
99.00748	0.4
101.02356	1.9
107.01290	14.6
108.01568	0.4
108.99259	0.3
109.02837	0.6
113.02340	1.7
117.03372	0.6
119.04938	28.4
120.05258	0.9
121.02866	0.7
123.04431	0.3
125.02376	4.4
133.02888	0.4
135.02936	0.2
135.04417	0.3
137.02357	0.7
143.04950	1.0
145.02885	3.4
149.02370	0.5
151.00304	54.1
151.43167	0.2
152.00638	1.6
153.01895	0.4
157.06441	0.3
161.04489	1.1
161.06047	0.9
164.01096	0.3
165.01875	5.6
169.01376	4.4
174.92638	0.2
177.00468	0.5
177.01883	5.4
178.99785	0.4
179.05540	0.4
183.10233	1.0
185.06075	1.9
187.03975	2.5
188.04587	0.3
193.01349	1.2
199.07687	0.2
203.03485	0.4
203.07137	0.5
220.24068	0.3
227.07140	3.0
229.05191	0.4
249.06200	0.8
253.05063	0.6
258.01791	0.8
259.02438	0.7
269.04587	0.5
271.06168	100.0
272.06497	6.4
287.02011	1.5
295.06064	0.6
313.06055	4.5
314.06894	0.3
343.08472	0.5
368.25458	0.3
387.20221	0.4
423.53864	0.3
433.11609	21.6
433.17084	2.4
433.24008	1.3
434.12039	1.9
434.17642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80986	0.2
59.01264	1.4
61.98708	0.5
63.02280	2.2
65.00208	6.3
68.99718	0.3
71.01258	0.5
83.01276	4.0
84.13097	0.2
89.02352	0.6
92.04961	0.2
93.03359	8.1
94.03671	0.2
101.02369	0.3
107.01298	11.9
108.02161	0.8
109.02866	0.5
113.02376	0.2
116.54341	0.2
117.03400	0.2
119.04945	38.5
120.05282	1.3
121.02873	0.5
123.00799	0.2
125.02364	1.3
131.01309	0.5
133.02895	0.2
135.00809	0.3
136.01570	0.6
136.03952	0.3
137.02328	0.3
143.05009	0.3
145.02882	0.6
149.02394	0.4
151.00310	47.0
152.00706	1.4
153.01973	0.2
161.02394	0.2
161.06061	0.2
164.01100	0.7
165.01884	2.0
169.01385	2.0
175.00325	1.8
177.01891	6.1
185.06123	0.4
187.04004	0.6
193.01402	1.3
196.00151	0.2
219.02950	0.4
227.07140	1.0
229.05006	0.3
233.72673	0.2
253.05035	0.4
255.03073	0.2
271.06174	100.0
272.06509	7.0
272.09500	0.3
295.06119	0.7
300.02667	0.8
301.03549	0.7
306.17258	0.2
313.07330	1.5
401.54437	0.2
433.07086	0.4
433.11664	0.6
434.10953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01264	5.7
63.02280	3.0
65.00205	9.3
69.36922	0.8
69.37354	1.8
70.26484	0.3
71.01263	1.1
73.02838	0.3
75.30408	0.3
81.03350	0.4
83.01274	7.3
85.02848	0.4
89.02312	0.5
93.03351	5.1
99.31519	0.3
101.02345	0.5
107.01289	17.4
108.01624	0.4
109.02868	0.7
117.03371	0.9
119.04939	33.0
120.05300	1.2
121.02850	0.5
125.02377	3.7
133.02852	0.5
137.02373	0.5
141.90428	0.3
143.04927	1.7
145.02884	3.9
149.02351	0.4
151.00305	61.7
152.00642	2.2
157.06502	0.4
161.06015	1.3
161.47983	0.3
164.01147	0.4
165.01874	5.7
169.01357	4.0
175.00345	0.3
177.00452	0.5
177.01884	5.3
184.05246	0.3
185.06033	2.8
187.03973	3.1
193.01422	0.7
199.07573	0.7
209.06039	0.3
211.03854	0.4
227.07115	3.1
229.04877	0.3
251.12900	0.4
252.13382	0.4
253.05042	0.4
253.13535	0.8
269.04657	0.4
271.06174	100.0
272.06476	6.5
285.04007	0.3
287.04785	0.3
301.16650	0.3
302.40604	0.3
312.44370	0.3
313.05554	4.1
314.06412	0.3
345.13699	0.3
368.12735	0.3
433.11478	13.5
433.19754	1.3
434.11813	1.6
434.98560	0.3
453.88809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78030	0.3
53.07516	0.3
57.03335	0.6
59.01262	13.7
60.01580	0.5
61.98696	0.5
63.02291	2.4
65.00206	7.3
68.99683	0.3
70.29808	0.3
71.01263	1.5
73.02838	0.7
83.01272	6.4
85.02811	1.0
89.02322	0.9
93.03358	4.3
98.19706	0.4
99.00745	0.3
99.04394	1.0
101.02348	1.2
107.01294	15.0
113.02368	0.9
117.03349	0.7
119.04942	29.5
120.05285	0.6
121.02852	0.4
122.90177	0.3
125.02364	3.7
126.98566	0.3
128.91251	0.3
133.02936	0.4
137.02365	0.4
141.09341	0.3
142.26993	0.4
143.04933	0.9
145.02888	4.0
146.03346	0.3
149.02361	0.8
151.00304	56.9
152.00665	1.7
153.01851	0.4
161.06023	0.8
165.01880	5.0
169.01404	3.6
177.01917	4.3
185.06035	2.4
187.03949	2.5
193.01364	0.9
199.07625	0.4
207.13861	0.5
208.14276	0.4
209.06378	0.4
227.03560	0.3
227.07158	2.7
229.04990	0.5
246.03181	0.3
251.12985	0.8
252.13246	0.9
253.05029	0.4
253.13560	1.0
269.04611	0.6
271.06165	100.0
272.06479	6.0
285.03940	0.4
286.04056	0.4
295.05966	0.7
300.03052	0.5
301.03555	0.4
301.16711	0.8
313.05496	3.5
357.99716	0.3
385.01248	0.3
433.11523	13.9
433.19943	2.4
433.27936	0.3
434.11862	1.1
447.99060	0.3
455.00528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.3
57.03327	1.7
58.00471	3.0
59.01261	91.2
60.01596	1.1
61.98719	2.5
68.99687	0.4
69.03342	1.5
69.12157	0.5
69.35423	0.4
71.01267	67.2
71.58905	0.8
72.01607	0.9
72.99202	5.0
73.02834	19.9
73.09003	0.4
74.03180	0.5
75.00762	1.0
78.95774	0.8
83.01288	3.6
85.02841	11.0
87.00774	3.1
89.02335	100.0
90.02679	0.9
95.01277	2.3
97.02856	1.9
99.00776	29.2
99.04407	1.0
101.02343	46.6
102.02709	0.6
109.02893	0.9
111.00785	0.9
113.02352	18.2
115.03935	1.1
117.01808	0.4
119.03411	13.5
119.04839	0.6
121.67184	0.4
125.02370	6.7
127.03968	0.5
131.03424	17.5
135.02925	0.5
137.02364	0.5
143.03464	3.2
149.04495	49.6
150.04871	1.4
151.00327	1.1
152.99501	1.3
155.10851	0.5
161.04478	5.7
178.29770	0.4
179.05600	5.3
191.05576	12.8
191.14401	0.8
221.06619	1.6
233.01382	0.5
233.06613	1.2
251.07741	3.2
255.02885	1.0
271.02563	1.2
271.05942	0.6
287.04535	0.5
293.08951	0.9
300.02713	2.7
301.03525	1.7
301.16644	6.6
331.17728	0.7
332.10980	0.5
340.40671	0.4
360.39725	0.5
361.94672	0.5
373.22336	0.8
433.07654	1.5
433.20734	19.6
433.26526	1.1
434.20856	2.4
449.89636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28113	0.2
55.01785	0.4
56.35025	0.2
57.03307	0.4
59.01263	100.0
59.04766	0.2
60.01604	1.0
63.02267	0.3
68.44526	0.2
69.42445	0.4
69.42780	2.0
71.01270	3.9
73.02831	1.5
83.01289	0.8
85.02840	1.8
89.02309	1.3
95.01276	0.4
99.00800	0.5
101.02350	3.4
105.01869	0.3
107.01357	0.6
109.02921	0.3
113.02360	2.1
119.03419	0.3
121.02864	0.3
123.00828	0.2
124.26983	0.2
143.03444	0.5
151.00273	1.3
159.02975	0.3
161.04504	2.9
169.01418	0.4
173.24071	0.2
174.03149	0.5
178.99779	0.4
185.02348	0.3
186.03180	0.5
187.03917	0.2
189.01721	0.2
201.01884	0.4
202.02644	0.6
214.02663	1.0
215.03494	0.6
229.01434	0.8
230.02155	0.6
231.02921	0.3
241.01433	2.2
242.02205	2.3
243.02992	0.6
245.00964	0.6
255.03014	0.4
257.01044	0.6
258.01721	0.8
259.02524	0.6
271.02591	1.1
286.01270	4.5
287.02005	3.1
288.02344	0.3
300.02911	1.2
301.03574	2.9
302.04031	0.4
373.22372	10.0
374.22668	1.4
433.07785	9.3
433.24301	1.0
434.08203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	0.3
59.01261	7.0
60.01603	0.9
61.01691	0.5
61.98716	100.0
63.05385	0.2
64.57040	0.2
69.03325	0.3
69.61439	1.6
71.01260	1.4
72.99184	0.3
73.02819	0.4
75.00792	0.2
78.29518	0.3
85.02853	0.3
86.18003	0.2
87.00768	0.2
89.02335	0.9
101.02354	0.8
113.02358	0.4
119.04959	0.3
135.02878	0.4
135.04453	1.6
151.00333	0.8
152.00630	0.2
161.04544	0.4
167.03439	0.4
177.01933	0.2
179.03459	1.8
196.66066	0.3
223.23878	0.2
243.60773	0.3
271.06274	0.5
272.06531	0.7
288.02704	0.2
302.03937	0.3
374.21570	1.1
413.43253	0.2
434.12210	0.4
440.79510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57958	0.9
57.03327	1.3
59.01264	17.9
63.02270	2.1
65.00188	2.4
69.03327	1.2
69.47436	5.4
69.47858	3.3
71.01264	9.6
72.99184	1.3
73.02824	3.8
75.00764	2.8
81.03340	1.6
83.01279	3.0
83.44739	0.9
85.02845	5.1
87.00773	1.5
87.56792	1.1
89.02329	5.5
93.03358	8.0
95.01270	2.8
98.19772	1.2
99.00737	1.2
101.02365	5.2
107.01305	5.7
108.01374	1.9
108.02079	35.9
109.02152	1.4
109.02872	27.9
113.02366	4.8
119.03436	1.5
121.02859	2.2
123.00750	1.1
124.01571	4.8
125.02363	2.4
135.00777	1.3
135.02910	3.4
135.04462	2.5
137.02373	15.1
149.02309	1.2
151.00314	27.2
152.01088	48.2
153.01886	14.6
161.02405	2.5
161.04483	2.2
165.01897	4.9
165.05551	1.2
169.01341	4.1
175.03983	1.2
178.99825	43.8
179.03403	4.1
179.05580	2.0
180.00336	1.8
180.04243	3.0
185.11774	1.7
189.01892	1.8
193.01396	1.7
195.06598	4.3
199.03935	1.5
203.03445	3.1
213.11270	1.0
217.01447	1.3
225.07710	3.6
231.02980	2.1
232.03783	22.6
233.04144	1.5
243.03040	4.3
259.02505	3.9
260.03125	1.2
271.02542	10.1
281.06747	2.9
287.01999	4.6
288.02814	85.9
289.00314	2.2
289.03555	36.5
290.03854	2.2
301.03671	2.2
301.45685	1.1
315.07245	4.7
391.09998	1.6
435.09396	100.0
435.22598	5.3
436.09756	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	435.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23801	0.2
58.74335	0.2
59.01260	3.9
61.98703	0.9
65.03841	0.6
69.03338	0.6
69.30476	2.2
71.01256	2.5
73.02835	0.8
75.00770	0.3
81.03350	1.1
83.01292	0.3
85.02840	2.7
85.93329	0.2
88.98695	0.3
89.02322	0.6
93.03352	58.4
94.03667	1.3
95.01270	1.6
97.02842	0.6
98.20544	0.5
99.00809	0.3
101.02373	1.1
107.01309	0.3
107.04932	0.5
108.02072	58.7
109.02874	21.3
110.03185	0.6
113.02351	1.1
113.77394	0.2
117.03326	0.5
119.03445	0.2
119.04945	0.5
121.02878	1.2
123.00782	1.3
123.04457	1.4
125.02355	2.3
133.02893	0.5
134.03673	0.3
135.00800	0.6
135.02951	0.3
135.04427	1.3
137.02365	83.5
138.02707	2.6
151.00281	1.0
151.03925	2.1
152.01083	74.6
153.01871	30.4
153.05380	1.0
154.02190	0.9
161.02377	0.7
161.04474	0.4
163.03960	1.6
165.01855	1.0
165.05542	0.3
167.03452	2.2
177.01936	0.4
178.99887	0.3
179.03412	1.2
179.05669	0.2
181.01387	0.3
187.03922	0.2
189.01782	0.3
195.02965	0.9
199.13345	0.3
207.03072	0.3
219.02774	0.3
225.03990	0.4
232.03763	0.2
263.13351	0.2
273.07745	2.2
274.07794	0.3
288.02832	0.5
297.06189	18.6
298.06534	1.0
315.07269	16.9
316.07639	1.0
341.06580	0.3
435.09332	100.0
436.09674	9.0
455.99567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0942
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
59.01268	2.6
61.98720	0.4
65.03849	0.8
70.35857	1.3
71.01266	2.1
73.02837	0.5
73.08450	0.4
81.03345	0.8
84.63058	0.4
85.02835	1.4
85.92812	0.4
93.03354	55.4
94.03696	1.2
95.01279	1.2
101.02339	0.7
107.04857	0.4
108.02071	53.0
109.02876	22.0
110.03204	0.6
113.02340	1.1
120.03632	0.4
121.02831	1.0
123.00771	0.9
123.04424	0.8
125.02354	1.0
133.02831	0.5
135.00850	0.4
135.04387	0.7
136.78873	0.3
137.02368	81.4
138.02710	2.5
151.00250	0.7
151.03952	1.6
152.01085	72.0
153.01878	29.7
153.05429	0.7
154.02185	1.1
163.03929	1.0
165.01886	1.2
179.03462	0.4
195.02934	0.7
225.03877	0.5
239.30646	0.4
267.83279	0.4
297.06189	17.3
298.06476	0.9
315.07266	16.9
316.07489	0.9
435.09366	100.0
436.09683	9.7
450.83542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59988	0.3
52.24133	0.4
52.35705	0.4
59.01262	3.3
61.98700	0.4
64.33543	0.3
65.00196	0.4
65.03867	0.3
65.96269	0.3
71.01257	1.3
72.09171	0.3
73.02831	0.3
74.72600	0.3
81.03354	0.3
83.01263	0.4
85.02815	0.5
93.03355	10.3
95.04925	1.6
97.02852	0.3
98.19823	0.7
101.02337	0.6
103.05441	0.7
105.03370	0.5
108.02026	0.4
109.02858	18.7
110.03191	0.5
117.03358	2.0
119.04926	2.4
121.02847	0.8
122.03620	0.5
123.04436	15.5
125.02355	0.6
133.02847	2.8
135.04471	0.4
137.02338	0.7
139.03984	0.4
143.04945	0.6
145.02879	8.2
147.04449	4.0
148.01624	0.4
149.02388	0.8
150.03160	1.6
151.03961	7.0
152.04187	0.3
159.04471	1.3
160.03633	0.3
161.02406	2.5
161.06044	0.8
162.03154	0.6
163.03952	1.1
169.06593	0.3
173.02423	0.3
175.03879	0.6
176.01120	1.0
177.01892	25.4
178.02242	0.7
179.03392	0.4
187.03984	2.0
188.04745	0.5
189.01904	54.6
190.02658	12.3
191.03464	11.1
192.03825	0.4
198.22955	0.3
201.01900	0.5
203.03473	6.1
203.07072	0.4
205.04993	0.8
213.05611	0.4
216.00639	8.2
217.01414	35.9
218.02045	3.4
219.02988	13.9
220.03226	1.1
222.01402	0.4
227.07085	0.6
229.04997	0.6
229.08687	0.4
229.52498	0.4
231.02995	11.7
232.03458	1.5
233.04489	1.3
241.05136	1.8
245.08208	0.7
246.57423	0.3
255.06628	0.6
269.04581	1.0
270.04538	0.4
271.06165	2.8
272.06699	0.4
279.49460	0.4
281.04648	1.6
283.06171	2.3
288.02655	0.4
289.07242	4.9
297.07651	1.5
311.05722	4.9
312.06030	0.7
323.05563	1.7
325.07178	0.6
341.06717	100.0
342.07025	7.0
435.10922	46.6
435.26337	0.5
436.11176	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	435.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00102	0.3
59.01263	6.0
61.98680	1.3
65.00182	0.4
71.01230	1.3
71.30106	0.7
73.02808	0.4
79.58767	0.3
80.10702	0.3
81.03298	0.5
83.01254	0.7
85.02789	0.7
89.02289	0.9
89.46564	0.3
89.53243	0.3
93.03350	7.2
94.03662	0.5
95.04884	0.8
96.95890	0.4
97.02818	0.6
99.00761	0.5
101.02296	1.3
108.02043	0.9
109.02854	16.1
110.03200	0.5
113.02291	0.6
113.04570	0.3
117.03354	1.8
119.04950	3.3
121.02801	1.2
122.03590	0.4
123.00651	0.3
123.04441	12.3
124.04722	0.4
124.22292	0.4
125.02326	1.1
133.02902	2.0
134.03581	0.5
135.04382	0.7
137.02283	1.1
139.03867	0.5
143.04945	0.5
145.01851	0.4
145.02884	6.3
147.04485	2.1
148.01437	0.5
149.02332	1.6
150.03082	1.2
151.00244	0.6
151.02843	0.5
151.03949	7.6
151.05135	0.3
155.83585	0.3
159.04465	1.8
161.02353	2.2
161.04459	0.4
161.05934	1.6
162.03110	1.2
163.03894	1.1
165.01834	0.4
167.03421	0.4
173.02299	0.5
175.03926	0.9
176.01010	1.0
177.01891	21.7
178.02147	1.1
178.99785	0.5
179.03448	0.5
182.18683	0.3
185.06018	0.4
187.03963	3.3
188.04689	1.8
189.01888	28.4
189.05424	0.9
190.02652	8.5
191.03468	5.1
191.39316	0.3
199.07458	0.4
201.05461	0.7
203.03467	2.7
203.07063	0.8
205.04965	0.9
213.05545	0.7
213.14934	1.8
215.03300	0.3
216.00618	7.2
217.01407	18.2
218.02187	2.1
219.02957	8.6
220.03345	0.5
221.07834	0.5
222.01633	0.9
225.05289	0.4
227.07126	2.0
228.07646	0.5
229.05121	2.7
229.08643	2.1
231.02980	6.9
232.03598	1.2
233.04552	0.5
241.04997	1.2
243.06735	0.7
245.08112	0.9
251.07043	0.4
253.04974	0.5
254.05774	0.4
255.06581	0.8
256.03735	0.5
264.04401	0.6
269.04428	0.6
269.08179	0.6
270.79248	0.4
271.06177	6.4
273.07767	0.5
273.20593	0.3
279.45938	0.4
281.04593	8.6
282.05118	1.3
283.06210	2.3
288.02737	0.6
289.07190	4.4
297.07724	5.4
298.07968	0.4
303.18250	0.5
311.05643	2.2
323.05627	1.1
341.06711	100.0
342.07034	7.7
434.24844	0.5
435.10938	21.3
435.26602	1.7
436.11343	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	435.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88719	0.5
58.94851	0.6
59.01088	1.5
59.01408	1.8
61.98505	2.8
61.98872	4.8
65.03983	0.9
68.19251	0.6
68.39331	0.7
69.03485	1.4
69.70168	3.5
71.01405	1.0
81.03508	0.9
83.01404	0.8
92.15390	0.5
93.02891	2.8
93.03553	10.9
95.05087	1.4
97.03001	1.1
98.19892	1.0
107.00840	0.6
107.01463	1.0
107.05138	4.0
108.02231	1.1
109.02238	4.6
109.03072	27.9
110.03375	0.7
117.03520	1.4
119.05074	1.1
121.03088	4.7
122.03864	0.7
123.01031	2.7
123.03678	1.5
123.04657	13.3
124.01817	7.6
125.01595	3.1
125.02584	27.0
126.02890	0.9
133.03093	1.9
135.00966	0.9
135.04604	1.3
137.02599	10.1
145.03105	6.8
147.04486	3.9
149.02560	1.0
149.98456	1.0
149.99741	16.6
150.03398	1.9
151.00580	2.2
151.02252	1.9
151.04173	53.7
152.04529	2.1
153.00768	1.1
153.02098	15.0
154.72508	0.6
159.04698	1.8
161.02596	1.7
161.06145	0.8
162.03290	0.6
163.04163	2.5
167.03650	0.7
167.99269	1.1
168.00591	27.5
169.01538	2.5
176.01263	1.3
177.01880	22.4
178.02400	1.1
187.04141	1.3
189.00314	2.3
189.01888	47.8
190.02654	11.2
191.00706	0.6
191.03458	10.0
203.03467	5.8
205.05208	0.9
209.06418	0.6
210.08624	0.6
216.00627	8.5
217.01405	32.6
218.02025	4.0
219.02969	12.5
220.03429	0.8
227.07268	0.9
229.05266	0.7
229.08838	0.8
231.02991	10.2
232.03772	1.7
233.04646	1.2
241.05266	1.1
243.06772	0.8
255.06934	0.9
269.04797	0.9
271.06110	2.7
272.06720	0.6
273.07706	23.8
274.08203	1.7
281.04681	2.3
283.06195	2.1
288.02719	0.8
289.07230	4.6
297.07675	1.3
311.05612	4.7
312.06067	0.8
321.29688	0.6
323.05804	2.3
325.07159	0.9
341.06705	100.0
342.07019	7.5
398.43008	0.6
417.08099	1.2
435.09787	67.9
436.10629	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	435.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18391	0.2
59.01345	1.1
60.13256	0.2
61.98774	0.2
65.03567	0.6
65.03937	4.4
67.01810	0.3
69.03038	0.3
69.03400	0.4
70.14125	0.2
71.70848	0.2
81.03409	0.4
83.01337	0.3
91.01889	0.7
93.03447	0.7
95.01350	0.5
97.02966	0.8
107.01389	0.3
107.04937	8.6
108.02135	0.3
108.05341	0.3
109.02860	13.0
110.03294	0.4
119.04982	0.5
121.02875	2.5
123.00793	1.7
123.04505	0.7
124.01585	3.8
125.02377	11.4
128.99283	0.4
133.02895	0.5
135.00816	1.7
137.02315	0.5
145.02925	0.6
147.04468	0.2
149.99539	7.7
150.03212	0.4
151.03954	100.0
152.04311	3.2
153.01965	0.3
161.02362	0.3
163.03957	3.7
168.00597	13.1
169.01350	1.1
177.01880	1.8
179.03354	0.3
180.46420	0.2
187.03951	0.4
189.01892	2.2
190.02631	0.9
191.03387	0.8
193.01408	0.3
216.00575	0.3
217.01370	1.4
219.02850	0.7
231.03018	0.3
236.49860	0.2
255.06685	1.1
271.05920	0.7
273.07742	33.8
274.08099	2.5
281.04382	0.4
289.07034	0.3
298.21942	0.2
313.05383	0.6
341.06705	7.1
342.06445	0.4
407.14542	0.2
417.07416	0.7
435.08215	16.8
435.13019	3.4
436.08517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.1
59.01262	2.3
61.98716	1.1
65.00219	0.9
68.99667	0.3
69.32028	0.3
77.85803	0.2
81.03345	9.5
83.01270	3.9
89.02374	0.3
93.03358	7.1
95.01292	0.3
95.04938	0.6
99.04421	0.4
107.01265	1.3
109.02853	0.4
111.04440	0.4
119.04945	9.7
121.57327	0.2
123.04437	27.4
124.01583	0.4
124.04790	1.0
125.02366	14.7
126.02697	0.4
135.04390	1.4
137.02423	0.4
139.03865	0.4
149.02417	2.2
151.00325	3.5
151.03951	0.5
152.01097	0.3
163.03937	0.5
166.02673	1.3
166.69153	0.2
167.03450	84.4
168.03792	2.6
169.06599	0.3
177.01923	0.9
179.03462	8.6
187.07587	0.4
189.01883	0.7
189.05521	1.4
191.03481	1.2
205.08484	0.3
211.07661	0.6
217.01450	1.0
229.04364	0.3
229.08743	1.3
255.06654	0.8
257.03543	0.7
259.04086	0.3
273.07736	100.0
274.08105	6.3
286.04172	0.7
287.04324	1.0
288.04721	1.0
289.05032	0.6
297.07831	0.7
341.06769	2.9
435.13098	7.8
436.13263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32690	0.3
55.01762	1.1
55.83262	0.3
57.03329	1.0
58.00476	3.5
59.01262	74.9
60.01611	0.9
60.99201	0.3
61.98722	3.6
69.03341	1.4
69.67899	0.3
71.01266	58.3
71.56413	0.4
71.56770	0.3
72.01614	0.8
72.99196	3.8
73.02832	15.3
75.00769	0.7
81.03359	0.3
83.01266	1.7
85.02840	7.3
87.00755	2.2
89.02335	100.0
90.02679	1.1
93.03364	1.2
95.01283	1.8
97.02871	1.4
99.00777	29.1
99.04398	0.6
100.01122	0.5
101.02342	39.0
102.02680	0.9
109.02869	1.0
111.00767	0.4
113.02349	14.5
115.03919	0.8
119.03411	11.8
119.04826	0.5
125.02368	5.3
131.03419	19.1
132.03818	0.4
135.00865	0.4
137.02357	2.7
143.03439	3.2
149.04491	59.1
150.04826	1.1
151.00204	0.4
153.01872	2.9
161.04512	4.3
178.99870	0.5
179.05588	4.5
185.00836	0.6
191.05571	14.0
192.05922	0.5
221.06635	2.4
232.03583	0.3
233.06761	0.7
251.07764	4.5
251.92926	0.3
270.65802	0.3
288.02786	0.5
293.08902	0.6
303.18454	0.5
311.09894	0.6
375.23898	1.2
384.67630	0.3
435.22382	25.4
436.22693	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.6
57.03337	100.0
58.03674	1.3
59.01263	87.2
60.01570	1.2
61.98704	2.0
65.34543	1.0
71.01267	15.0
72.99211	1.0
73.02833	6.9
81.03340	1.7
83.01266	6.0
85.02843	7.6
89.02333	2.2
97.02849	1.1
99.00761	2.8
99.04415	86.8
100.04713	1.3
101.02345	36.6
101.03008	2.1
103.47437	1.1
113.02361	6.9
125.02364	25.5
135.04398	1.0
143.03427	1.8
147.13091	0.9
159.02954	2.1
161.04509	4.4
273.07532	1.1
288.02802	2.1
291.18198	32.2
292.18530	1.4
309.51602	1.0
333.19400	1.6
373.22531	1.0
435.22461	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	437.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47042	0.5
59.01265	3.4
61.91580	0.5
61.98726	0.6
68.49853	0.6
69.03335	0.6
71.56606	1.0
81.03342	1.1
83.04916	1.5
95.45548	0.6
96.53128	0.7
97.02845	1.1
100.77847	0.6
106.68515	0.7
109.06493	14.6
110.06834	0.6
121.06506	1.0
125.09634	2.3
129.53802	0.6
135.08060	1.2
142.02626	0.8
161.09676	1.0
163.11235	7.0
166.06508	0.6
171.70825	0.6
181.12297	1.3
183.13841	6.1
185.11804	0.8
193.12291	2.0
202.58549	0.5
205.12303	2.3
207.10251	19.1
207.12204	1.0
208.10619	1.3
211.13379	100.0
212.13736	5.3
221.15477	1.1
223.13419	4.8
225.11319	27.9
226.11676	1.3
231.13966	2.0
233.11685	1.0
249.15007	1.5
280.87790	0.7
303.43149	0.7
303.95099	0.7
339.23111	1.0
357.24524	0.9
375.21844	1.1
383.22299	1.9
393.22919	5.0
394.23239	0.9
401.23444	4.3
402.23743	0.7
419.24487	20.8
420.24768	2.0
437.25494	3.5
437.30786	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	437.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31983	6.4
58.69178	5.7
59.01257	17.6
61.98707	8.9
65.03835	20.2
68.63564	6.0
69.03320	8.7
70.53625	15.6
70.54024	12.0
76.00148	5.3
82.20259	6.0
83.01266	17.8
83.04890	10.8
84.20709	6.0
88.69347	5.9
91.05445	7.7
93.03357	10.5
95.04941	11.6
97.06504	12.7
101.02340	22.8
101.27850	6.6
109.06471	14.6
113.45708	6.0
123.07977	11.1
125.09652	41.2
127.00284	11.5
149.09621	10.9
163.11198	19.0
171.10237	100.0
185.11757	9.9
187.14857	24.5
203.14389	43.7
207.10211	24.1
209.11797	31.2
211.13362	14.6
219.13760	9.6
221.15379	9.2
225.11285	15.4
229.14307	14.1
231.13925	63.9
237.14993	15.6
242.84612	6.6
247.13390	23.6
249.14897	10.6
329.24933	11.5
339.23303	12.2
357.24374	13.3
373.23993	18.0
383.22214	11.5
391.24878	24.1
401.23373	66.4
402.23843	13.7
409.25919	14.4
419.24677	19.0
420.25824	10.1
437.25989	30.8
437.30685	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	437.307
Annotation	Salacenonal
Peak:m/z	Relative Intensity
56.71907	0.2
59.01254	0.3
60.99216	0.3
61.98715	0.3
65.95907	0.1
67.51786	0.1
69.26585	0.2
70.56789	0.2
71.58057	0.2
72.15154	0.2
73.02836	1.2
83.01298	0.2
83.04916	0.3
101.02352	0.2
119.08572	1.3
143.97195	0.1
181.10254	0.2
183.11745	0.3
185.09674	0.5
188.73184	0.2
189.12868	0.2
199.11290	0.3
205.10349	0.2
211.13255	0.3
221.13359	0.3
237.16432	0.4
258.85645	0.2
259.89883	0.2
292.47519	0.2
321.16632	0.2
328.17816	0.2
332.73981	0.2
339.20993	0.2
353.22946	1.3
354.23187	0.2
355.24377	7.1
356.24808	0.9
358.22702	0.2
359.23978	0.2
367.24460	0.3
369.22067	0.4
369.25974	1.4
370.26389	0.3
371.27493	100.0
372.27853	12.6
373.25244	0.8
375.27081	0.8
385.25443	3.4
386.25864	0.4
387.22421	0.3
387.27008	3.3
388.27496	0.3
389.28592	7.0
390.29150	1.0
397.25610	0.3
399.27170	0.9
400.27756	0.2
401.28635	1.3
402.29559	0.2
403.26550	2.6
404.26746	0.4
405.28067	7.8
406.28448	1.0
415.26508	1.4
416.27097	0.2
417.28104	0.7
419.24915	0.3
419.29657	3.6
420.30090	0.6
421.27600	1.9
422.28192	0.3
431.25928	0.5
433.27502	0.4
435.29373	0.8
437.30676	48.6
438.31027	7.2
451.28555	0.6
463.28659	1.9
464.29077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56010	0.3
78.95787	3.4
79.95618	1.9
94.95602	0.2
96.95910	100.0
96.96815	8.5
97.95861	0.4
101.01292	0.2
108.91885	0.2
161.38104	0.2
187.14354	0.2
401.05234	0.2
419.37872	0.2
439.08801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01267	1.4
61.98717	1.5
62.19204	0.2
69.03349	0.7
71.01276	1.0
71.57309	0.3
72.99177	0.3
73.02847	0.5
75.00770	0.3
79.95620	0.6
85.02856	0.6
87.00800	0.3
88.38482	0.3
89.02345	0.6
93.03373	0.5
96.95915	2.6
101.02377	0.5
113.02370	2.3
119.04943	84.8
120.05293	2.8
121.02918	0.2
122.28041	0.2
125.02377	0.5
131.03432	0.3
135.02956	0.5
135.04431	0.7
137.02328	0.7
139.24403	0.2
149.04518	0.3
152.01120	0.3
161.02344	0.4
161.04474	0.3
163.03957	100.0
164.04306	3.7
177.01976	0.3
187.64975	0.2
205.04982	0.3
259.12003	0.2
277.07272	0.3
279.82498	0.2
325.09351	8.2
326.09674	0.7
366.04929	0.3
439.10870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77886	0.7
51.78123	0.8
55.01791	1.6
57.03337	100.0
58.03671	1.2
58.91238	0.6
59.01265	71.2
60.01594	0.7
62.74496	0.6
69.03339	1.1
69.55680	3.9
70.19704	0.7
71.01270	17.8
73.02826	6.6
73.03117	0.6
75.00750	1.3
78.41338	0.7
81.03352	1.3
83.01277	3.3
85.02847	10.2
87.00817	0.7
89.02340	1.8
95.01316	1.4
96.95941	1.0
97.02870	1.2
99.00800	3.5
99.04420	79.2
100.04750	1.8
101.02346	29.6
109.02869	0.7
113.02345	6.8
119.03386	0.9
125.02365	22.4
125.03240	1.3
133.02945	0.7
134.03712	1.7
135.04500	1.9
137.02419	0.7
142.19165	0.6
143.03409	2.0
147.02962	0.7
159.03033	1.5
161.02425	2.9
161.04509	7.9
177.01825	0.9
178.02588	1.4
179.03473	2.0
205.03596	0.8
275.09344	0.9
291.65741	0.7
293.10477	1.1
297.13504	21.4
298.14044	2.0
323.07910	1.1
335.99414	0.7
339.14651	1.7
341.06900	0.8
379.17990	0.8
420.09689	0.7
427.03995	0.8
441.17999	2.5
441.30353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03333	3.8
58.00481	1.6
59.01262	33.2
61.98709	2.4
63.01640	0.4
69.03333	1.6
71.01267	26.1
71.56898	0.4
72.34466	0.5
72.99205	2.5
73.02841	2.6
75.00771	1.3
79.05429	0.9
81.03349	1.0
83.01277	2.0
83.04910	2.2
84.02043	1.0
85.02837	5.9
87.00790	2.2
87.04410	0.6
89.02334	25.9
93.03403	0.6
94.06502	0.6
95.01303	2.0
95.04925	1.9
96.95912	0.7
97.02843	2.2
97.06488	1.6
99.00787	1.8
99.04417	1.6
101.02340	16.0
107.04899	1.1
108.02071	3.9
109.02847	3.6
109.06506	0.8
111.04428	0.8
113.02349	8.7
115.03893	0.6
119.03411	9.0
119.04905	0.7
121.06526	4.7
123.04398	0.6
123.08064	1.4
125.02366	3.4
125.06006	2.5
131.03427	2.1
133.06517	0.9
134.03680	0.8
135.02907	1.7
135.04425	3.4
135.08075	1.4
135.73586	0.4
136.05206	1.2
137.05948	0.4
137.09702	0.5
139.07600	1.9
141.60539	0.4
143.03448	2.3
147.04449	5.2
147.08086	1.2
147.11710	2.6
147.92708	0.6
149.04521	2.0
149.06085	0.5
151.00206	0.5
151.03876	0.5
151.06340	1.0
151.07581	18.7
151.11218	2.9
152.01088	2.9
152.08150	1.0
153.01865	0.7
158.07304	0.9
159.08046	0.8
161.04514	3.0
161.05954	1.1
161.09630	0.5
163.03998	0.6
165.09077	0.6
167.07088	2.5
171.08028	0.8
171.11751	1.9
173.09718	2.6
175.11203	2.8
179.03352	2.3
179.05574	9.8
179.07106	3.8
179.10706	0.9
184.08914	7.0
187.07625	1.2
187.11247	3.8
189.05582	0.6
189.09178	0.8
189.12816	9.4
190.13069	0.5
191.05589	0.8
191.10666	0.6
199.11305	5.0
201.09183	6.5
202.09897	3.5
203.07016	0.5
203.10608	0.4
205.12305	1.2
207.13898	0.6
215.10744	4.3
217.12323	38.6
218.12674	2.3
233.06581	1.3
233.11743	0.5
235.13409	7.0
236.13721	0.5
243.10239	0.9
261.11328	2.8
263.15167	0.8
274.92331	0.5
279.12555	1.9
293.09033	1.8
310.21066	0.5
330.13333	1.1
441.17801	100.0
442.18185	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	441.1903
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
59.01255	24.8
61.81244	8.4
63.32554	8.8
71.01266	16.7
71.26883	12.4
71.27220	10.7
72.24826	7.4
96.95892	8.0
119.04921	26.2
125.02364	25.0
131.61829	8.1
135.02905	13.8
135.04491	14.8
137.02368	15.6
151.03972	12.4
152.01082	13.2
161.02386	24.6
163.03937	36.0
177.01891	15.6
179.03448	13.1
279.05197	19.2
423.64810	9.9
441.19049	100.0
442.19394	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	441.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.5
55.28550	1.1
57.03334	3.4
58.00470	1.4
59.01262	64.8
61.98705	1.5
65.34774	1.3
69.10950	1.1
69.43331	9.0
69.43741	2.3
70.16326	1.3
71.01268	34.4
72.99187	1.9
73.02833	18.2
75.00751	1.7
83.01281	11.5
85.02846	22.9
87.00761	2.4
89.02335	4.1
95.01262	1.8
97.02818	1.8
99.00781	6.6
101.02342	46.0
108.02086	2.6
109.02884	1.3
113.02358	15.4
115.03925	5.7
117.53606	1.1
119.04966	12.7
125.02335	5.0
134.03647	1.3
135.02908	2.6
135.04404	1.8
141.01807	1.5
143.03450	2.0
152.01068	3.4
153.01796	1.6
159.02910	2.4
161.02380	4.3
161.04475	11.7
161.31686	1.2
163.03967	11.7
179.03409	2.8
227.69247	1.2
235.11877	77.0
236.12337	2.1
279.05145	5.5
378.01880	1.2
381.17740	100.0
382.18143	7.8
425.16367	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	441.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01264	24.2
63.26280	0.8
69.03333	1.6
70.90002	2.8
71.01268	61.3
72.99197	18.8
73.02822	3.1
76.50446	0.9
81.03326	1.5
83.01266	1.3
83.04912	2.3
84.02040	1.7
85.02837	1.9
88.98716	1.2
89.02322	1.4
95.04928	2.0
96.95910	3.0
96.96823	1.1
97.06502	1.6
98.03643	1.2
99.00760	1.6
99.07991	1.6
101.02319	3.2
107.04973	1.1
109.06534	1.8
112.05199	1.4
113.02340	1.2
113.10702	1.1
115.00280	27.8
115.07542	2.0
116.92767	1.4
123.04463	1.2
123.08079	1.2
125.02319	2.1
125.06046	1.1
125.09625	4.0
127.07585	8.6
133.01358	17.2
135.08076	1.5
137.02440	1.5
139.07558	3.0
141.09081	1.3
141.49283	1.2
153.09148	10.2
155.10677	2.8
161.04474	1.5
163.11188	3.9
165.12794	2.4
171.10220	13.8
178.09883	1.6
185.11800	13.3
186.06789	1.0
191.10732	1.4
191.14366	2.1
193.12462	1.1
197.11867	13.1
209.11812	52.0
210.12151	4.0
238.12086	3.0
245.19064	3.1
251.11351	3.0
256.13251	1.8
263.20370	1.1
265.18304	1.2
271.17072	1.3
279.19714	1.4
289.18192	11.7
293.12491	2.4
297.14938	1.5
307.19217	100.0
308.19635	7.9
325.20258	99.9
326.20670	8.5
399.97897	1.0
423.20258	10.1
441.21402	13.5
441.25864	1.2
442.21573	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01603	1.2
61.98728	0.8
71.56660	0.6
71.61594	0.4
77.79752	0.4
81.26601	0.4
209.11916	0.5
289.18155	3.2
307.19189	3.5
308.19550	0.5
441.34464	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	441.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.4
58.00477	0.5
59.01264	100.0
60.01608	0.8
61.98706	0.3
69.03358	0.7
69.84469	1.6
71.01270	8.7
72.99205	0.8
73.02834	5.2
78.14255	0.3
83.01270	1.9
84.49929	0.3
85.02843	2.0
87.00800	0.4
89.02333	5.1
89.91235	0.3
92.65411	0.2
93.03368	0.9
95.01301	0.5
101.02345	6.1
108.02077	4.6
109.02892	0.8
113.02346	3.0
119.03467	1.3
125.02344	1.2
131.03441	0.6
137.02356	2.7
149.04555	0.4
152.01100	2.5
153.01854	1.1
161.04474	1.3
165.12842	0.4
174.84744	0.2
179.05637	0.8
230.40340	0.3
262.62958	0.3
293.21399	1.0
399.24115	0.5
441.17606	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07948	1.0
51.79026	1.0
52.99040	1.4
57.03334	3.1
57.70266	1.2
59.01266	12.3
61.98707	2.2
71.01270	10.8
71.55802	1.9
72.99182	2.9
73.02837	4.4
75.00762	2.6
81.03348	1.4
83.01267	2.0
83.04917	18.5
84.32492	1.1
85.02847	6.3
89.02332	1.8
93.03349	2.0
95.01286	3.9
96.95907	1.4
99.00774	1.9
99.04446	3.0
101.02354	6.0
101.05972	3.9
101.42616	1.1
105.01837	2.4
108.02080	43.9
109.02866	30.0
111.00782	1.5
111.72386	1.1
113.02345	4.2
119.45048	1.1
123.00807	1.8
123.04459	2.4
124.01564	1.2
125.02349	4.0
127.03923	3.7
134.03627	1.1
135.02934	7.5
135.04449	1.4
137.02380	2.1
137.06041	1.3
141.05565	1.5
145.05020	3.7
151.03929	2.1
152.01091	62.3
153.01892	24.2
159.02934	1.7
161.04514	3.9
163.03920	2.9
167.03470	11.5
168.00609	2.7
179.03471	2.3
188.27139	1.3
221.11719	1.5
315.07269	16.4
316.07379	1.7
383.09668	1.6
443.12003	100.0
443.18201	5.9
444.12503	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	443.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.5
61.18298	0.4
61.47440	0.4
70.14709	1.9
71.01272	3.4
71.32014	0.4
72.99178	0.5
75.00761	3.1
83.01289	0.7
85.02872	0.7
86.50423	0.5
89.02346	4.0
96.95932	1.7
97.85415	0.4
98.19948	0.5
101.02357	2.4
113.02364	0.9
117.01885	0.6
119.04942	100.0
120.05269	3.6
122.43586	0.5
135.02905	2.8
135.04462	1.1
163.03955	98.7
164.04311	3.9
179.03493	1.3
185.56537	0.4
197.69353	0.4
245.90297	0.4
281.06888	1.2
297.08328	15.6
298.08710	0.6
306.32492	0.5
325.09418	7.4
326.09756	0.6
364.00616	0.5
443.12042	11.6
443.18280	0.9
444.12415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07948	1.0
51.79026	1.0
52.99040	1.4
57.03334	3.1
57.70266	1.2
59.01266	12.3
61.98707	2.2
71.01270	10.8
71.55802	1.9
72.99182	2.9
73.02837	4.4
75.00762	2.6
81.03348	1.4
83.01267	2.0
83.04917	18.5
84.32492	1.1
85.02847	6.3
89.02332	1.8
93.03349	2.0
95.01286	3.9
96.95907	1.4
99.00774	1.9
99.04446	3.0
101.02354	6.0
101.05972	3.9
101.42616	1.1
105.01837	2.4
108.02080	43.9
109.02866	30.0
111.00782	1.5
111.72386	1.1
113.02345	4.2
119.45048	1.1
123.00807	1.8
123.04459	2.4
124.01564	1.2
125.02349	4.0
127.03923	3.7
134.03627	1.1
135.02934	7.5
135.04449	1.4
137.02380	2.1
137.06041	1.3
141.05565	1.5
145.05020	3.7
151.03929	2.1
152.01091	62.3
153.01892	24.2
159.02934	1.7
161.04514	3.9
163.03920	2.9
167.03470	11.5
168.00609	2.7
179.03471	2.3
188.27139	1.3
221.11719	1.5
315.07269	16.4
316.07379	1.7
383.09668	1.6
443.12003	100.0
443.18201	5.9
444.12503	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	443.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.3
57.03335	89.7
58.00469	1.6
59.01261	95.7
59.50701	1.1
60.01603	1.1
61.98705	3.4
63.12092	1.1
67.49213	0.9
69.03320	1.8
70.72173	2.7
70.72564	2.4
71.01266	59.8
72.99196	7.2
73.02833	37.0
73.03250	1.8
75.00768	11.2
79.05418	2.4
81.03336	3.4
83.01278	11.7
85.02837	10.2
87.00771	4.2
88.65930	1.2
89.02335	47.4
95.01271	3.0
95.04932	1.6
96.95892	8.1
97.06483	2.6
99.00771	1.9
99.04417	20.2
101.02341	76.0
102.02688	1.1
107.04916	2.6
108.02069	1.5
109.02845	2.9
113.02353	23.6
113.05978	4.9
119.03423	21.2
119.04925	22.8
120.05290	1.3
121.02869	2.0
123.04444	17.7
125.02328	5.7
127.86380	1.1
131.03426	4.3
133.10109	1.4
134.03664	2.4
135.01939	2.0
135.02913	31.7
135.04425	10.8
136.04802	1.3
137.06015	13.9
141.05518	4.2
143.03398	5.1
149.04488	3.8
149.05969	1.0
150.08501	1.1
151.00366	1.1
153.05577	1.4
155.26192	1.0
159.52347	1.0
161.04518	12.4
163.03975	2.7
163.38507	1.0
167.03473	1.5
177.09187	3.1
179.03416	2.4
179.05585	5.5
180.03857	1.5
181.05032	24.2
181.08595	2.4
182.05325	1.8
182.78053	1.2
187.07599	2.0
193.46829	1.0
202.06277	1.6
203.05704	1.3
206.80617	1.1
221.06570	1.4
271.02481	1.6
275.09424	1.3
281.10327	3.3
283.37805	1.1
289.10730	1.5
299.11414	100.0
300.02682	2.5
300.08810	1.1
300.11798	7.4
313.14374	1.0
341.12463	38.2
342.12732	3.6
343.10495	1.3
381.15540	10.2
385.11447	3.5
425.14600	1.9
443.15317	22.0
444.16266	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1931
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01768	0.8
57.03325	1.0
58.00470	1.3
59.01266	24.4
69.75694	3.4
71.01273	21.8
71.01670	1.1
72.99192	1.5
73.02858	2.9
75.00766	1.2
83.01275	2.4
85.02847	7.5
87.00767	0.9
89.02342	12.2
95.01298	1.7
99.00786	1.5
101.02348	16.3
111.04378	0.9
113.02362	7.1
119.03439	5.6
119.04928	5.6
125.02387	0.6
135.02893	1.8
135.04445	0.8
149.02377	0.5
149.04459	0.6
161.04593	0.9
163.03969	6.5
171.11769	0.8
189.67239	0.6
237.14999	0.8
245.04549	1.2
287.27084	0.5
297.08350	1.0
343.19629	0.6
364.79147	0.5
369.54663	0.6
443.19293	100.0
444.19714	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	443.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.9
59.01264	6.7
61.98697	0.6
68.36252	0.4
69.03334	1.6
70.85571	1.1
71.01266	29.1
72.01600	0.4
72.99196	9.0
73.02850	0.5
75.00762	1.0
75.86340	0.4
83.01276	0.5
83.04916	0.8
85.02836	7.6
87.00784	0.6
89.02322	1.8
90.93216	0.4
95.04922	0.8
97.02842	1.0
97.06477	2.4
101.02371	0.8
113.02364	0.7
115.00282	9.3
119.04977	0.5
119.08562	0.6
121.02907	0.5
123.04453	0.5
125.02330	0.5
125.09628	1.1
127.11198	0.9
133.01344	2.5
135.02892	1.4
137.02370	0.7
137.09636	2.3
161.04495	0.4
165.12714	0.7
170.23897	0.4
171.10216	21.6
172.05254	0.6
172.10513	0.5
175.14975	0.4
183.13882	1.4
185.11807	1.2
193.12337	0.7
197.11826	0.8
201.11264	0.9
209.11804	2.4
211.11464	0.8
211.13370	10.4
221.11951	2.1
226.20876	0.5
229.14452	7.4
230.14854	0.6
235.24612	0.4
239.12949	1.1
263.16681	0.7
268.45731	0.5
283.13535	2.3
289.18219	0.5
291.19800	2.3
301.14462	1.5
307.19043	2.5
309.20697	0.8
325.20178	2.1
327.21820	100.0
328.22211	7.8
425.21887	3.8
426.22168	0.5
443.22968	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	443.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52787	0.5
59.01266	100.0
60.01606	0.8
61.69448	0.5
61.91975	0.5
69.29221	4.6
69.29636	0.9
71.48518	0.6
77.66719	0.5
96.95928	0.6
101.51653	0.5
109.81596	0.5
154.48891	0.5
163.11336	0.5
165.12885	0.7
182.30644	0.5
183.63202	0.5
223.13574	0.6
247.20721	1.0
257.54587	0.5
281.90894	0.5
291.19724	27.9
292.20175	1.6
309.20798	31.7
310.21222	2.4
424.74686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01588	1.0
68.34484	0.2
69.02019	0.2
69.79907	0.2
71.58302	0.2
84.57311	0.2
89.02369	0.5
91.03897	1.7
96.95953	0.2
106.27537	0.2
111.08067	1.5
124.95711	0.2
139.11478	0.2
169.12309	0.3
179.93253	0.2
197.11800	4.7
197.13525	0.3
198.12093	0.2
199.13368	0.5
207.10376	0.3
211.13538	0.5
263.20313	0.2
273.18689	0.2
275.81610	0.2
291.19751	3.5
309.20792	7.9
310.21225	0.8
314.40918	0.2
336.95471	0.2
384.13782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39962	0.3
57.13584	0.3
57.60236	0.3
59.01263	100.0
60.01583	0.5
61.98714	0.4
65.69905	0.3
67.43302	0.3
69.55271	0.3
70.72035	0.6
70.72398	0.7
72.40220	0.3
89.02361	0.7
91.03896	4.8
96.95894	2.6
111.08089	1.8
181.12285	0.4
197.11794	7.3
211.13455	0.8
220.50102	0.3
263.20340	0.9
280.10883	0.3
291.19724	4.5
309.20767	13.4
310.21191	1.0
420.13226	0.4
442.92032	0.3
443.24127	0.9
456.38373	0.3
462.65878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10104	0.7
57.67182	0.8
59.01262	100.0
61.98704	1.1
66.12304	0.7
71.56796	0.8
78.95756	0.7
128.18623	0.8
140.66316	0.8
193.67712	0.6
209.11694	1.3
265.23184	0.7
291.19894	2.4
309.20688	4.4
310.21323	1.0
424.40320	0.8
443.31473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10104	0.7
57.67182	0.8
59.01262	100.0
61.98704	1.1
66.12304	0.7
71.56796	0.8
78.95756	0.7
128.18623	0.8
140.66316	0.8
193.67712	0.6
209.11694	1.3
265.23184	0.7
291.19894	2.4
309.20688	4.4
310.21323	1.0
424.40320	0.8
443.31473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01261	4.6
61.98705	0.8
63.02296	0.9
65.00202	2.2
71.01262	1.5
71.06633	0.6
72.58421	0.4
73.02833	6.8
79.21175	0.3
83.01262	1.2
85.02828	0.8
89.02328	1.2
91.01779	0.5
93.03350	1.0
93.11278	0.4
101.02335	1.2
104.08912	0.4
107.01299	5.0
108.02109	1.8
109.02869	3.4
113.02316	1.2
119.03448	0.4
119.04882	0.7
119.50485	0.4
121.02866	4.2
124.01590	0.5
125.02361	1.1
135.00809	1.1
135.02905	0.7
137.02364	1.4
139.03970	0.6
143.04872	0.4
148.01599	1.6
149.02383	1.1
151.00307	20.6
152.00748	0.4
159.04427	0.6
161.02437	0.5
161.04498	0.5
163.00330	5.1
163.03932	0.5
164.01080	0.8
165.12758	1.4
169.01337	1.4
171.04553	0.7
173.06001	0.7
175.03967	0.5
178.99809	9.9
183.02892	0.4
183.04471	1.0
186.03101	0.5
187.03882	1.1
188.04691	0.4
192.00607	0.7
199.03960	1.7
201.01851	0.6
201.05556	0.7
203.03482	0.7
209.11801	2.9
211.03934	1.8
214.02638	0.9
215.03470	0.6
216.04237	0.7
221.15524	0.6
226.02719	1.7
227.03542	4.0
228.04123	0.4
229.04980	1.2
231.03149	0.5
239.03516	0.7
241.01529	2.9
242.02177	1.3
243.03012	12.6
244.03363	1.3
245.00955	1.3
245.04593	2.7
254.02278	2.8
255.03018	26.6
255.82651	0.4
256.03424	2.0
270.01712	3.2
271.02536	62.9
272.03018	5.9
273.04083	2.0
283.02505	2.7
283.15564	12.8
298.01337	1.3
299.02029	6.5
300.02811	78.7
301.03571	100.0
302.03955	7.0
311.02023	0.5
325.16742	1.0
445.07852	55.6
445.20273	2.1
446.08185	6.0
465.72223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01255	2.2
60.35044	0.4
63.02281	1.3
65.00204	2.9
70.43285	0.5
70.43688	0.9
71.01254	1.3
73.02827	2.2
83.01279	2.1
85.02839	0.8
89.02337	1.8
98.19838	0.4
101.02352	0.9
107.01294	6.4
109.02875	0.4
111.00816	0.5
121.02839	0.4
123.04442	0.5
124.01568	0.4
125.02357	4.5
133.02882	1.2
135.04443	0.9
145.02863	1.9
147.04463	1.0
151.00307	20.0
152.01001	0.6
153.01913	0.7
159.04448	0.5
161.02400	4.8
162.03142	1.3
163.00323	0.6
163.03964	2.5
169.01379	1.8
173.02316	0.9
175.03952	2.7
177.01917	0.7
178.99821	10.1
187.00320	1.2
187.03984	0.5
189.01877	2.4
191.03534	1.9
192.00662	0.7
193.05106	0.5
199.03879	0.5
201.01808	0.4
201.05521	0.6
203.03519	1.6
203.07089	0.4
205.12463	0.4
209.12032	0.7
211.04012	1.1
217.01416	0.9
217.05092	0.5
221.15451	0.8
223.04050	0.7
225.05586	0.7
227.03493	2.2
239.03535	0.7
241.05048	1.2
243.02943	0.5
245.04546	0.5
251.03577	0.9
253.04979	0.5
255.03035	1.1
257.04565	0.5
265.14481	1.6
267.03073	1.4
269.04654	1.5
270.01755	0.4
271.02454	0.7
279.03055	1.1
280.03793	0.6
283.02560	0.8
283.15540	4.0
284.03339	1.0
285.04092	1.0
295.02542	5.5
296.03171	1.3
297.04135	6.0
299.01932	1.1
300.02905	1.2
301.03558	1.7
309.03879	0.5
311.02130	1.8
312.02853	0.5
313.03598	5.4
314.04123	0.5
323.02011	8.1
324.02591	1.2
327.01547	5.6
328.01816	0.6
337.03818	0.5
341.03073	19.5
342.03397	1.3
353.02591	0.6
355.04602	1.8
371.04129	0.5
373.05774	0.9
383.04092	0.7
385.18347	0.4
445.07852	100.0
446.08167	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	445.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83213	0.3
55.01756	0.3
57.03337	0.6
58.00488	0.2
59.01262	100.0
59.48911	0.2
60.01595	0.8
61.92354	0.2
61.98711	1.6
65.00228	0.4
69.03352	0.3
69.31767	0.3
69.32102	2.4
71.01266	11.1
72.99193	1.0
73.02838	1.1
75.00774	0.7
77.52477	0.2
80.02564	0.2
81.03353	0.4
83.01303	0.9
83.04918	0.8
85.02838	2.3
87.00757	1.9
89.02334	12.9
90.02699	0.3
95.01309	0.8
96.95914	0.7
97.02847	0.3
99.00760	0.3
99.51096	0.3
101.02342	7.1
107.01307	0.6
111.00793	0.3
113.02351	5.8
119.03415	6.9
119.04852	0.3
119.47290	0.2
120.99586	0.3
121.02949	0.6
125.02348	1.3
129.01862	0.6
131.03432	0.7
135.02922	0.6
135.04471	0.4
137.09703	0.2
143.03456	1.6
147.02841	0.3
149.04506	0.8
151.00287	1.7
158.03683	0.3
159.02974	0.3
161.02400	1.1
161.04482	3.4
161.09666	0.4
163.03922	0.4
163.11264	1.0
165.12878	0.3
167.03433	0.3
168.00624	0.3
169.01401	0.5
178.99886	0.8
179.05566	4.7
179.10745	0.3
181.05092	0.3
181.12325	0.3
183.01585	0.2
185.02425	0.3
186.03265	0.3
187.11246	2.6
189.01912	0.8
189.09129	0.3
190.10011	0.4
191.10751	0.2
199.03964	0.3
204.11600	0.4
205.12321	2.7
209.11810	21.7
210.12173	1.3
214.02693	0.6
215.10707	0.4
216.00557	0.3
223.13448	0.5
227.03497	0.5
233.11853	2.1
241.01424	3.5
242.02145	1.1
243.03072	0.6
245.00922	1.8
253.09335	3.1
255.03053	1.0
259.13394	0.5
265.14377	0.3
269.04730	0.3
270.01715	2.9
271.02524	3.9
272.02863	0.4
277.14520	1.5
280.30804	0.2
283.02518	0.4
285.03958	0.3
295.02570	0.3
298.01358	1.0
299.02048	4.7
300.02527	0.5
341.03049	3.5
357.58127	0.3
385.18738	4.0
386.19052	0.5
439.57614	0.2
443.43207	0.2
445.07874	5.5
445.13486	0.7
445.20737	1.9
446.08383	0.9
447.32660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52441	0.5
57.03341	1.1
58.00486	1.2
59.01263	100.0
60.01603	0.8
61.79244	0.6
66.25404	0.7
69.35303	0.6
70.04599	3.3
71.01264	31.4
72.99207	1.5
73.02851	2.0
85.02840	5.8
87.00776	1.7
89.02335	47.1
90.02744	0.7
93.03379	2.5
93.98447	0.6
95.01322	2.2
96.95927	1.1
99.00772	0.9
101.02342	18.0
103.43723	0.7
108.02097	0.9
113.02361	13.4
113.03151	0.8
119.03415	19.9
123.04441	1.0
125.02397	1.2
131.03409	3.0
135.02869	0.7
135.08070	0.7
137.02364	5.8
143.03444	5.3
149.04504	1.0
153.09174	2.9
161.04515	7.0
161.05882	0.9
179.05563	23.2
180.05878	0.9
187.11258	1.2
195.04926	1.3
205.12318	5.9
270.58899	0.7
317.09854	0.7
327.08905	1.7
385.18759	13.5
385.23514	1.0
386.19284	1.7
445.13190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
56.04329	0.5
57.03342	2.0
57.31710	0.6
58.00479	2.2
59.01266	41.0
61.98711	2.2
63.02268	2.3
65.00211	4.7
69.03370	0.6
70.97274	1.4
71.01273	24.6
71.70689	0.5
72.01584	0.5
72.99203	2.3
73.02837	32.7
73.63229	0.5
75.00750	0.6
83.01274	5.4
85.02843	5.9
87.00771	1.5
89.02338	24.2
93.03323	0.6
95.01281	1.6
97.02882	0.8
97.06467	1.0
99.00785	0.9
99.04412	5.1
101.02351	12.6
105.01819	0.8
107.01297	8.6
109.06503	0.7
113.02354	11.3
117.03392	0.8
119.03425	10.3
119.04957	0.7
121.02875	1.4
125.02367	8.0
129.03439	0.6
131.01228	0.7
131.03421	1.5
133.02867	1.2
135.02959	0.6
135.04431	2.4
137.02400	0.6
137.06013	0.6
143.03464	1.8
143.17737	0.5
145.02908	2.9
147.03001	0.6
147.04436	1.9
149.02382	0.9
149.04504	1.1
151.00310	32.9
152.00958	1.9
153.01834	1.0
155.10721	1.0
155.79649	0.6
158.03719	0.7
159.04446	0.8
160.01497	0.6
161.02399	7.8
161.04549	1.5
162.03133	1.1
163.00317	1.2
163.03957	4.6
165.12794	5.4
169.01390	3.6
173.02431	1.0
174.03264	0.8
175.03960	2.6
177.01898	0.9
178.99831	17.5
179.03439	2.1
179.05580	2.5
183.04520	0.9
185.02446	0.6
187.00356	1.0
187.03949	0.8
189.01965	3.3
189.05429	0.5
191.03477	3.2
192.00677	1.3
193.01422	1.1
193.05011	0.7
197.06090	0.7
199.03944	1.6
201.01894	0.8
201.05522	0.9
203.03426	2.6
203.14352	1.4
207.02965	1.1
209.11816	12.0
210.12257	0.7
211.04045	1.2
213.05650	0.8
214.02739	0.7
215.03482	0.7
215.30075	0.5
217.01398	0.8
217.05090	0.6
219.03055	0.8
221.04558	0.8
221.15472	20.6
222.15714	0.8
223.04086	1.3
225.05536	0.9
227.03543	3.2
229.04965	0.9
231.02934	1.0
239.03587	1.2
239.16522	3.6
241.01425	3.2
241.05191	1.8
242.02222	1.3
243.02979	2.1
245.00972	1.8
245.04538	0.9
247.02380	0.9
251.03583	1.8
253.04959	1.1
255.02983	2.3
256.03696	1.3
257.04706	1.1
265.14511	32.5
266.14868	2.2
267.03061	1.6
269.04611	2.2
270.01874	2.8
271.02463	3.9
272.03003	0.7
279.03128	1.3
280.03647	1.0
283.02667	1.4
283.15576	52.4
284.03326	1.1
284.15875	2.8
285.04077	2.3
293.04825	0.6
295.02588	10.3
296.03345	2.5
297.04126	8.7
298.01169	1.9
298.04395	1.0
299.02008	5.7
300.02872	2.6
301.03564	6.3
302.03983	0.6
309.04266	0.9
311.02029	2.5
312.02930	0.9
313.03598	7.4
323.02045	10.3
324.02490	2.2
325.03400	1.1
325.16568	0.7
327.01532	10.0
327.05106	1.1
331.17874	0.8
337.03360	0.8
341.03091	24.7
342.03387	2.4
353.03082	0.8
355.04568	2.2
373.05670	1.4
383.04019	0.9
385.18683	1.1
442.24551	0.6
445.07855	100.0
445.20825	33.8
446.08228	11.3
446.21103	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	445.2087
Annotation	Sacranoside A
Peak:m/z	Relative Intensity
51.27221	0.6
52.86957	0.7
55.01759	3.3
57.03340	3.1
58.00472	2.9
59.01263	74.8
60.01601	1.2
61.98704	2.4
69.03345	1.7
69.88981	0.6
71.01269	75.3
71.56270	0.7
72.01590	1.0
72.99202	4.3
73.02834	24.2
75.00780	2.0
83.01267	5.9
85.02843	17.5
87.00772	2.6
89.02335	100.0
90.02662	1.0
94.45604	0.6
95.01273	3.8
97.02855	2.3
99.00775	27.6
101.02345	54.3
105.01838	2.3
107.01272	1.2
111.00731	0.5
113.01627	1.1
113.02354	16.8
115.03908	1.3
119.03413	7.9
119.04890	0.9
120.99656	0.6
125.02374	7.1
131.03421	20.4
135.02911	1.2
135.04449	0.8
137.02373	1.7
143.03432	3.0
145.02834	0.7
147.02896	1.3
149.04495	63.3
150.04765	1.1
151.00272	2.3
151.11266	1.0
152.08403	0.6
153.09204	0.8
159.02867	2.1
161.02414	0.8
161.04512	12.4
178.99785	1.2
179.05554	2.0
191.05576	14.8
205.12401	0.8
209.11871	2.8
214.02730	0.9
219.14151	0.7
221.06618	1.7
233.06546	2.5
241.01372	4.7
242.02019	1.1
243.02942	1.3
245.00928	3.0
251.07730	4.6
253.09351	0.8
270.01819	5.1
271.02634	4.4
272.02972	0.8
283.18979	0.7
293.08633	1.2
295.02466	1.7
298.01324	2.9
299.02036	6.7
300.02563	0.9
301.03696	1.0
313.16602	10.3
314.16861	0.9
341.03165	1.0
391.00848	0.7
419.99033	0.7
421.11423	0.7
445.07562	10.2
445.20648	26.5
446.07986	1.2
446.21051	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	445.2088
Annotation	Dendroside G
Peak:m/z	Relative Intensity
52.80537	0.9
55.01758	2.8
57.03327	3.0
57.98054	0.9
58.00480	2.8
59.01263	83.1
61.98712	6.2
69.27166	5.3
69.27591	3.9
71.01270	45.8
71.01667	2.1
72.99194	4.2
73.02833	70.6
74.78828	1.3
76.86947	1.0
83.01263	3.7
84.02122	0.9
85.02834	9.9
87.00785	2.6
87.04433	1.3
89.02335	54.7
89.52224	1.1
95.01285	2.9
97.06477	1.4
98.19849	2.2
99.00787	2.3
99.04435	7.9
101.02342	27.5
105.01830	1.6
107.01292	1.9
109.06467	1.4
113.02351	20.1
119.03413	19.0
119.51595	0.9
120.99580	1.1
121.02879	1.7
125.02354	2.5
130.11787	1.0
131.03419	2.8
135.02870	1.4
135.04443	4.8
137.02394	1.3
143.03387	2.7
147.02925	1.3
149.04460	3.6
151.00294	4.8
155.10713	1.9
161.02394	1.8
161.04486	4.1
163.03902	1.3
165.12820	8.8
175.04149	1.0
178.99780	1.9
179.03445	6.8
179.05496	5.8
203.14357	1.7
209.11809	23.1
210.12141	1.4
221.15454	31.5
222.15817	1.7
239.16516	6.5
241.01482	5.0
243.02971	2.1
245.00969	2.9
260.77496	1.0
265.14493	68.0
266.14856	5.2
270.01685	4.7
271.02567	6.4
283.15552	100.0
284.15945	6.8
295.02676	1.4
298.01187	1.7
299.01962	7.8
300.02777	3.3
301.03546	8.5
307.15643	1.1
323.02078	1.3
325.16574	3.4
341.02853	1.7
385.18777	1.5
445.07883	16.4
445.20874	74.1
446.08362	2.4
446.21027	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	445.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93456	0.2
53.96340	0.3
54.89927	0.2
55.12794	0.2
56.96358	0.2
59.01257	1.9
71.01266	0.4
75.59772	0.2
77.04263	0.2
78.95792	5.3
83.04904	0.2
100.81082	0.2
110.98432	4.6
144.17891	0.2
152.99518	0.4
157.25154	0.3
167.01128	1.6
185.02142	4.3
233.22754	0.4
241.28130	0.2
259.20526	0.3
261.18796	0.3
275.20010	0.3
277.21765	100.0
278.22113	7.5
278.24728	0.2
445.23712	8.7
446.23904	0.7
462.80331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
59.22528	0.3
60.01582	0.7
61.98726	0.9
70.85990	0.3
70.86302	0.7
71.01268	0.5
74.29105	0.3
76.23826	0.3
78.95805	0.9
89.02332	0.7
91.03890	2.5
95.18691	0.3
96.95901	1.9
110.37781	0.3
116.90739	0.3
129.09129	0.5
152.99593	0.8
153.09258	0.5
192.13608	0.3
196.89212	0.3
197.11710	0.6
199.13354	0.3
211.13373	1.6
240.19450	0.3
241.01468	0.8
245.00974	0.7
270.01767	1.5
271.02621	1.1
293.21423	1.1
298.01505	0.5
299.02112	1.4
311.22336	13.2
312.22769	1.1
318.04761	0.4
385.18701	0.5
385.25876	0.5
445.08014	1.3
446.08923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30165	0.4
55.41353	0.4
59.01262	100.0
60.01588	0.9
61.98721	0.9
65.72523	0.5
71.01278	1.3
71.56547	0.6
71.56952	0.6
78.95816	1.4
89.02335	1.3
91.03902	5.6
96.95895	3.9
106.08232	0.5
113.02380	0.7
128.12036	0.5
129.09131	0.7
152.99568	2.0
161.91672	0.5
181.06598	0.4
183.13957	0.5
197.11876	0.6
209.11916	1.0
211.13435	2.0
214.02737	0.6
241.01563	1.8
242.02171	0.8
245.01062	1.4
252.39920	0.5
270.01810	1.9
271.02469	2.1
284.12222	0.5
293.21439	1.6
298.01389	1.2
299.02106	2.1
311.22327	22.6
312.22910	1.6
378.79373	0.4
385.18604	1.2
385.26419	0.4
445.07532	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	446.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.9
61.98715	100.0
71.58344	0.3
76.50723	0.2
78.91799	0.4
78.95789	3.1
80.91587	1.0
96.95917	0.5
96.96891	0.3
101.02353	0.2
107.01299	0.4
121.02888	0.6
133.45033	0.3
149.00034	1.0
151.00294	1.6
152.99504	1.6
163.00369	0.3
169.01436	0.4
178.99857	0.8
227.03545	0.4
242.02000	0.3
243.02965	1.3
255.02998	3.1
271.02487	5.6
271.05112	0.4
283.02481	0.3
299.02106	0.7
300.02805	9.7
300.06161	0.6
301.03592	7.4
446.08392	0.4
447.09497	7.4
447.13889	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	447.0732
Annotation	XL147
Peak:m/z	Relative Intensity
50.57117	0.4
59.00951	0.6
59.01260	9.1
61.98685	0.7
65.00166	0.6
69.03292	0.5
70.90072	1.1
70.90440	0.7
71.01260	5.6
72.02760	0.4
73.02811	1.8
83.01260	1.0
85.02816	1.6
87.00737	0.4
89.02338	2.2
95.01208	0.6
99.00766	0.9
101.02341	3.4
107.01266	2.0
108.02045	0.7
109.02852	2.3
110.64207	0.4
113.02305	2.0
121.02805	1.7
123.04424	3.6
125.02322	0.5
133.02800	0.9
135.02950	0.6
135.04323	0.6
151.00308	8.3
151.03839	0.6
160.95023	0.5
161.04506	2.2
163.00278	2.2
167.04897	0.8
178.99825	3.6
183.04393	0.8
187.03909	0.5
195.04388	1.1
199.03912	0.7
211.03955	3.0
211.13382	15.4
213.05482	0.6
223.03999	2.3
226.02663	0.7
226.11092	0.5
227.03481	3.0
229.04974	0.9
239.03535	5.3
240.04005	1.7
241.04956	0.6
241.13400	1.5
243.02989	4.4
244.03294	0.7
244.77989	0.5
245.04431	1.6
251.03485	2.4
253.09334	2.2
254.02127	1.3
255.03017	13.5
256.03549	1.3
257.04483	0.9
261.96426	0.6
265.01456	0.7
266.02124	0.9
267.00284	0.7
267.03033	12.9
268.03732	4.5
271.02515	24.9
272.02969	2.3
273.03909	0.7
282.01810	4.0
283.02527	2.7
284.03186	0.6
285.03897	1.1
285.12314	1.3
292.11130	0.5
293.00897	1.6
293.03998	0.5
295.02524	60.4
296.00003	0.8
296.03214	16.0
297.03964	2.9
300.02795	42.0
301.03549	33.1
301.08655	0.7
302.03778	1.7
309.03909	1.7
315.18185	3.0
322.01022	0.8
323.01984	6.5
324.02316	0.6
325.03412	1.8
328.02115	1.5
337.03418	1.2
338.04163	1.1
387.20209	1.2
403.08075	1.0
447.07339	100.0
447.21875	9.6
448.07642	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59953	0.5
59.01247	3.0
59.58930	0.5
65.00198	2.2
67.01776	0.8
70.74442	1.4
71.01295	0.9
74.75096	0.5
83.01293	1.2
93.03355	1.9
95.01286	1.4
99.65279	0.6
107.01287	4.3
108.02090	1.7
109.02855	2.3
109.99992	1.3
111.00790	1.1
121.02869	2.8
123.00756	0.9
124.01626	1.2
125.02386	1.2
127.22481	0.6
135.00801	1.2
135.04453	0.6
136.98688	0.9
139.00336	0.9
143.04910	0.7
148.01590	0.8
149.02359	0.8
151.00307	14.2
152.01033	2.8
153.01820	1.0
155.04991	0.8
159.04456	0.8
163.00330	2.7
165.99023	0.9
166.99788	0.7
171.04486	1.1
173.02397	0.8
173.06036	0.6
174.03142	0.7
178.99829	5.5
181.01332	0.9
183.04500	2.2
185.05928	0.6
187.03976	2.6
192.00594	0.8
198.03146	1.0
199.04004	2.7
201.05603	1.6
203.03423	0.9
211.04004	2.8
215.03453	2.8
216.04210	0.9
219.71333	0.6
226.02635	1.3
227.03575	7.4
228.04082	0.9
229.05072	2.4
237.74232	0.6
237.76709	0.6
239.03519	1.0
243.03015	12.9
244.03596	1.9
245.04558	1.8
254.02293	1.7
255.03017	39.9
256.03409	4.4
257.04608	11.4
258.04773	0.8
271.02533	49.0
272.03238	13.6
273.03946	4.5
283.02518	8.3
284.03140	1.1
285.04163	0.9
299.02069	1.4
300.02805	66.7
301.03574	68.2
302.03784	3.8
327.06873	0.6
390.91428	0.7
447.09399	100.0
448.09793	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	447.0938
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.70749	0.5
63.02272	1.5
65.00197	2.2
69.80606	3.4
83.01277	1.0
88.16121	0.5
89.29942	0.5
91.01788	0.5
96.83865	0.5
98.20504	1.0
107.01305	4.4
108.02071	1.6
109.02877	3.1
121.02881	4.1
125.02306	0.7
135.00792	1.1
139.03899	0.7
148.01598	1.1
149.02385	0.5
151.00307	15.7
152.00797	0.6
159.04471	0.6
163.00346	3.9
163.03934	0.9
164.01035	1.3
169.01306	1.1
171.04430	0.8
178.99828	7.7
183.04655	0.7
187.04030	0.9
192.55238	0.6
201.05554	1.1
203.03484	0.7
211.03963	1.0
226.02734	1.0
227.03448	3.5
229.05022	1.1
243.03024	9.9
244.03525	1.1
245.04514	3.3
254.02240	1.8
255.03018	25.2
256.03470	1.4
271.02518	51.6
272.02945	4.5
273.04037	1.7
283.02509	2.4
299.02060	1.3
300.02798	77.8
301.03561	76.4
302.04050	4.4
409.78802	0.6
447.09393	100.0
448.09756	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84301	0.2
54.86610	0.2
59.01250	1.2
62.96295	1.3
66.24421	0.2
70.02177	0.6
70.02573	0.4
75.91672	0.2
78.95792	36.8
81.19653	0.2
94.74518	0.2
96.96864	2.2
135.32497	0.2
149.00031	18.6
150.00349	0.3
151.00325	0.5
151.48314	0.2
152.99519	0.7
158.92479	1.6
179.01112	2.4
182.07056	0.2
194.58107	0.2
205.15910	1.8
240.96681	0.3
243.02971	0.4
255.03107	1.1
267.11496	0.3
271.02478	1.8
272.03217	0.2
300.02820	2.9
301.03586	2.6
333.06830	0.2
347.08316	0.3
386.68100	0.2
417.12415	0.9
431.10364	2.5
432.10834	0.3
447.13559	100.0
448.13916	7.6
464.09976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.7
61.98711	0.8
62.96285	1.5
64.30509	0.2
64.95132	0.8
70.86599	0.2
71.01269	0.6
71.58407	0.4
78.95792	43.6
96.96861	3.2
101.02357	0.2
106.16373	0.2
107.01311	0.4
108.02091	0.3
109.02895	0.5
121.02873	0.5
134.98425	0.3
149.00029	19.8
150.00386	0.5
151.00301	1.6
152.99522	8.3
157.59415	0.2
158.92473	1.7
163.00301	0.5
171.00688	0.2
173.45216	0.2
178.99788	0.9
179.01134	2.7
188.71219	0.2
205.14140	0.3
205.15912	1.9
211.03934	0.3
211.13429	0.6
227.03506	0.7
240.96684	0.3
242.21292	0.2
243.03050	1.4
245.04678	0.5
254.02299	0.3
255.03006	3.5
256.03372	0.4
267.11755	0.3
271.02545	6.9
272.02960	0.7
283.02448	0.3
299.02228	0.3
300.02811	11.4
301.03571	9.9
302.04105	0.5
331.18991	0.5
337.25226	1.4
347.08472	0.5
387.20496	0.6
417.12683	0.9
431.10428	3.2
432.10983	0.2
447.13666	100.0
448.08560	0.5
448.14047	8.5
464.10342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	13.0
61.98718	2.7
62.96267	0.2
63.02283	0.3
65.00202	0.4
67.23129	0.2
71.01261	0.6
71.56434	0.3
76.96716	0.3
78.63470	0.3
78.95792	54.0
82.47141	0.3
83.01271	0.4
89.02346	0.4
91.68607	0.2
96.95935	0.5
96.96865	6.8
101.02340	0.5
107.01295	1.3
108.02072	0.4
109.02856	0.8
121.02882	1.0
134.76180	0.2
135.00764	0.3
147.15887	0.3
148.01582	0.4
150.97926	1.8
151.00308	4.5
152.00978	0.3
152.99519	100.0
153.99844	1.2
161.04509	0.3
163.00328	1.3
169.01418	0.3
170.17200	0.2
171.00560	4.2
178.99821	2.0
211.04073	0.4
211.13411	0.6
215.03551	0.4
227.03511	1.1
229.05005	0.4
243.03055	2.4
244.03569	0.4
245.04498	0.6
254.02208	0.6
255.01018	0.2
255.03021	6.5
256.03317	0.6
271.02524	12.5
272.03018	0.9
273.04218	0.3
283.02463	0.5
284.03244	0.5
285.04193	0.5
293.21341	0.3
297.74020	0.3
300.02820	22.5
301.03564	18.2
302.03867	1.6
387.20224	0.8
447.09393	18.9
447.21515	14.6
448.09708	2.2
448.22040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05414	0.2
59.01271	1.1
61.98709	0.6
62.96310	0.3
63.36325	0.2
71.33744	0.4
78.95792	54.8
96.96861	6.8
107.01298	0.3
148.01508	0.2
149.00037	0.5
150.97932	1.7
151.00400	1.0
152.99521	100.0
153.99850	1.6
163.00250	0.3
171.00581	4.4
176.07916	0.2
178.99748	0.7
211.13412	0.2
227.03384	0.4
243.02971	0.6
255.03018	1.7
256.03699	0.2
271.02524	3.3
272.03076	0.3
285.04199	0.2
293.21234	0.3
300.02795	5.0
301.03528	4.7
302.03867	0.2
387.20306	0.2
447.08441	3.7
447.14081	1.6
447.21594	15.3
448.09183	0.3
448.15494	0.2
448.21835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.4
56.43001	0.4
57.03336	1.5
57.67545	0.4
58.00480	3.8
59.01261	85.9
60.01604	0.5
69.03338	0.5
71.01266	64.0
71.14237	0.6
71.14544	0.4
71.94102	0.4
72.01604	1.1
72.99195	3.3
73.02833	17.1
75.00745	0.9
83.01276	3.2
85.02837	9.8
87.00776	2.4
89.02333	100.0
90.02684	1.2
95.01283	2.5
97.02844	1.9
99.00774	22.8
100.01065	0.4
101.02341	44.7
102.02670	1.0
103.81673	0.4
107.01292	0.6
109.02853	0.4
109.31023	0.4
113.02353	17.6
115.03929	1.3
119.02637	0.3
119.03407	17.7
125.02353	5.0
131.03426	17.8
132.03683	0.5
138.99384	0.4
143.03415	3.8
149.04489	54.8
150.04881	0.7
151.00290	2.0
161.04492	5.1
174.67613	0.4
178.99765	1.0
179.05568	7.6
191.05573	16.2
192.05899	0.6
192.25427	0.4
211.13261	1.9
215.05589	0.4
221.06558	2.5
227.03609	0.7
233.06665	1.4
243.02971	1.7
251.07745	4.1
255.02945	2.8
271.02512	7.1
293.08685	0.8
300.02789	10.7
301.03534	9.1
302.04211	0.5
311.09949	0.4
315.18256	2.2
401.75067	0.5
447.09479	10.3
447.22409	34.7
448.09778	1.0
448.22693	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	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31453	0.2
55.21678	0.2
57.03338	0.3
58.00488	0.2
58.48469	0.2
59.01263	100.0
60.01603	1.0
61.98713	0.4
71.01266	7.3
71.43790	0.6
73.02831	1.6
75.00784	0.2
83.01286	0.8
85.02841	2.4
87.00778	0.5
89.02338	3.0
89.02848	0.3
95.01312	0.4
97.02888	0.3
99.00788	0.8
100.86063	0.2
101.02342	4.7
104.36853	0.2
113.02359	3.9
113.03089	0.4
116.92829	0.2
119.03409	1.4
127.77343	0.2
131.03468	0.3
137.09689	0.4
143.03474	0.9
159.02972	1.0
161.04504	9.9
162.04875	0.4
173.09756	0.2
179.05600	1.6
186.96814	0.2
187.94292	0.2
189.12842	1.9
207.13951	1.9
217.21284	0.2
218.11035	0.2
225.15034	0.9
235.98662	0.2
387.20309	3.1
388.20923	0.3
447.22461	2.1
448.22940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21692	0.3
52.52879	0.3
56.95279	0.3
57.03323	0.4
58.00460	0.3
59.01262	100.0
60.01604	1.1
60.55359	0.3
61.98715	7.7
69.89154	1.3
69.89571	0.5
71.01266	7.3
72.01610	0.3
72.99223	0.3
73.02831	1.7
80.35973	0.3
83.01288	0.8
85.02847	2.2
87.00774	0.3
89.02345	3.5
95.01276	0.3
98.20504	0.3
99.00806	0.8
101.02342	4.3
113.01628	0.5
113.02349	3.6
113.19851	0.3
119.03423	1.0
123.08112	0.5
125.02379	0.4
143.03432	0.7
152.08418	0.4
153.09207	0.5
159.02982	0.7
161.04491	9.1
162.04927	0.5
163.11221	0.6
179.05566	2.4
181.05113	0.4
189.12779	2.3
207.13914	2.6
225.14984	1.3
285.04111	0.7
387.20331	5.5
388.20779	0.4
447.21994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94788	0.4
57.03334	1.2
59.01264	100.0
60.01601	1.3
61.98722	2.4
63.02291	0.6
65.00227	0.6
65.53075	0.3
71.01270	9.4
71.37119	0.9
72.99179	0.6
73.02840	2.7
73.17697	0.4
75.00754	1.8
77.65937	0.4
83.01276	1.0
85.02840	4.0
87.00793	1.1
89.02335	5.4
95.01305	0.8
97.02909	0.4
99.00793	1.2
101.02351	7.0
107.01293	0.7
110.36149	0.3
113.02354	5.4
115.06351	0.3
119.03423	2.3
119.84715	0.4
125.02396	0.6
131.03374	0.5
137.09650	0.4
139.65486	0.4
143.03500	1.1
151.00307	2.2
153.09160	2.3
159.02994	0.4
161.04503	6.9
164.22581	0.4
167.12506	0.4
178.99895	1.3
179.05574	2.0
199.34285	0.4
207.13864	0.6
225.15033	1.4
243.03044	0.5
248.87988	0.4
249.06302	1.1
255.03239	0.8
267.07150	0.4
271.02621	0.6
278.51941	0.6
279.02438	0.7
285.04227	1.5
285.64072	0.4
293.02188	1.6
293.52158	0.6
300.02951	1.1
301.03632	1.0
366.04883	0.6
366.55457	0.4
374.04672	5.6
374.54794	1.8
375.05084	1.0
387.20322	12.3
387.24966	0.7
388.20874	1.0
403.16394	1.6
431.19336	0.4
447.09177	3.1
447.15469	4.9
447.22607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29576	0.2
53.62725	0.2
55.73767	0.2
57.03338	0.8
59.01263	6.0
60.01590	0.5
61.98716	100.0
65.00211	0.3
71.01253	1.0
77.28020	0.2
83.01287	0.6
89.02349	0.7
93.03371	0.3
97.02848	0.2
101.02367	0.7
107.01327	0.8
113.02346	0.4
121.02901	0.2
121.36305	0.2
125.02352	5.8
137.99188	0.2
139.82802	0.2
149.02373	0.7
151.00305	2.3
152.01057	0.3
153.01924	0.4
153.09106	0.4
154.09503	0.3
161.04498	0.3
162.04898	0.3
165.01921	0.6
173.05948	0.3
177.01984	0.2
177.05537	0.3
178.99832	1.5
193.01447	0.9
203.03459	0.2
213.05566	0.3
215.07094	0.3
224.13759	0.2
229.36902	0.2
243.06711	0.3
259.06165	4.7
269.04605	4.2
287.05682	2.6
303.49911	0.2
375.05554	0.6
375.55524	0.4
388.20422	1.0
421.11346	0.2
448.08716	0.4
449.11044	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	449.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64713	1.1
52.85408	1.1
53.95603	1.1
57.02150	1.1
57.03329	6.7
58.00470	1.9
59.01265	100.0
61.98719	5.2
65.00201	1.6
71.01272	27.2
71.74840	1.3
72.99193	4.2
73.02842	2.8
75.00761	4.4
83.01270	3.7
85.02844	10.7
87.00759	3.8
89.02332	21.4
93.03359	2.4
95.01267	4.7
98.20676	2.7
99.00777	4.7
99.04429	9.0
101.02355	12.6
107.01273	3.6
108.02077	1.3
109.02853	5.0
109.06514	1.4
110.00008	3.8
111.00784	4.0
113.02348	12.6
117.01805	1.6
117.03355	4.7
119.03435	6.8
119.04890	3.1
123.00801	4.1
124.01585	2.5
125.02376	9.3
135.02992	1.7
136.98706	2.3
137.02383	1.8
137.09621	3.4
139.00305	4.8
149.02415	3.0
151.00333	12.3
152.01025	4.4
153.01816	1.5
155.10725	35.0
159.04459	1.2
161.04491	3.6
163.00330	4.9
163.03926	4.4
164.01047	4.5
165.12793	4.9
165.99052	2.9
166.99782	3.8
168.00574	1.3
173.02460	1.3
174.03168	1.4
175.03951	1.8
177.01894	1.6
178.99805	8.5
179.05542	2.2
181.01443	1.6
183.04367	1.5
187.03981	3.4
187.07614	4.5
191.05658	7.9
193.01378	3.3
199.03979	3.0
199.09688	5.9
202.06323	2.2
203.03539	1.7
207.13882	8.6
209.11812	28.2
214.02834	1.5
215.03529	2.6
215.07094	1.5
217.01450	1.5
225.14944	7.8
227.03535	4.9
229.01366	1.5
229.88559	1.4
231.03020	2.2
231.10289	4.6
242.02209	3.7
243.03043	8.4
244.03746	1.9
245.04613	1.8
249.06146	5.2
251.12959	4.2
255.03018	5.3
257.08310	2.6
259.02628	3.0
260.03088	1.6
269.13989	86.6
270.01645	6.3
270.14288	2.8
271.02512	26.7
272.03214	4.6
273.04095	7.9
273.13528	3.4
275.09195	5.9
287.01953	10.9
287.05634	3.4
288.02725	7.7
298.01071	2.2
299.02008	23.1
300.02344	2.0
316.02280	49.1
317.03052	31.8
318.03293	3.1
375.93793	1.3
383.61804	1.4
389.21909	7.2
431.15613	1.6
449.07285	88.1
449.15854	16.2
449.21423	51.0
450.07657	8.6
450.21140	2.4
454.68283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64713	1.1
52.85408	1.1
53.95603	1.1
57.02150	1.1
57.03329	6.7
58.00470	1.9
59.01265	100.0
61.98719	5.2
65.00201	1.6
71.01272	27.2
71.74840	1.3
72.99193	4.2
73.02842	2.8
75.00761	4.4
83.01270	3.7
85.02844	10.7
87.00759	3.8
89.02332	21.4
93.03359	2.4
95.01267	4.7
98.20676	2.7
99.00777	4.7
99.04429	9.0
101.02355	12.6
107.01273	3.6
108.02077	1.3
109.02853	5.0
109.06514	1.4
110.00008	3.8
111.00784	4.0
113.02348	12.6
117.01805	1.6
117.03355	4.7
119.03435	6.8
119.04890	3.1
123.00801	4.1
124.01585	2.5
125.02376	9.3
135.02992	1.7
136.98706	2.3
137.02383	1.8
137.09621	3.4
139.00305	4.8
149.02415	3.0
151.00333	12.3
152.01025	4.4
153.01816	1.5
155.10725	35.0
159.04459	1.2
161.04491	3.6
163.00330	4.9
163.03926	4.4
164.01047	4.5
165.12793	4.9
165.99052	2.9
166.99782	3.8
168.00574	1.3
173.02460	1.3
174.03168	1.4
175.03951	1.8
177.01894	1.6
178.99805	8.5
179.05542	2.2
181.01443	1.6
183.04367	1.5
187.03981	3.4
187.07614	4.5
191.05658	7.9
193.01378	3.3
199.03979	3.0
199.09688	5.9
202.06323	2.2
203.03539	1.7
207.13882	8.6
209.11812	28.2
214.02834	1.5
215.03529	2.6
215.07094	1.5
217.01450	1.5
225.14944	7.8
227.03535	4.9
229.01366	1.5
229.88559	1.4
231.03020	2.2
231.10289	4.6
242.02209	3.7
243.03043	8.4
244.03746	1.9
245.04613	1.8
249.06146	5.2
251.12959	4.2
255.03018	5.3
257.08310	2.6
259.02628	3.0
260.03088	1.6
269.13989	86.6
270.01645	6.3
270.14288	2.8
271.02512	26.7
272.03214	4.6
273.04095	7.9
273.13528	3.4
275.09195	5.9
287.01953	10.9
287.05634	3.4
288.02725	7.7
298.01071	2.2
299.02008	23.1
300.02344	2.0
316.02280	49.1
317.03052	31.8
318.03293	3.1
375.93793	1.3
383.61804	1.4
389.21909	7.2
431.15613	1.6
449.07285	88.1
449.15854	16.2
449.21423	51.0
450.07657	8.6
450.21140	2.4
454.68283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	3.0
59.01258	3.5
60.59691	0.5
65.00211	2.3
71.01269	1.1
71.32465	0.6
76.34251	0.5
77.50410	0.6
81.03336	2.0
83.01276	3.7
85.02827	1.1
89.02345	1.0
93.03349	3.3
97.02852	0.8
101.02369	0.9
103.64417	0.5
107.01283	3.5
109.02836	1.5
119.04912	1.1
121.02950	0.6
123.00776	0.8
123.04411	1.6
124.01578	0.9
125.02365	37.5
126.02644	0.8
133.02881	2.2
135.02847	0.7
137.02425	0.8
139.03937	2.1
149.02368	1.7
151.00308	12.8
152.01128	2.7
153.01886	6.0
157.06656	0.7
158.03624	0.8
159.04387	1.0
163.03896	0.8
165.01904	1.9
167.03459	1.0
169.01320	1.1
172.05270	3.3
173.06046	6.8
175.00334	1.7
175.03958	1.7
177.01823	0.6
177.05527	2.5
178.99821	14.8
181.01347	1.9
199.07610	1.3
200.04918	0.9
201.05534	2.7
203.03497	0.6
215.07103	12.3
216.07300	0.6
219.06610	0.6
229.05067	0.5
241.04985	1.2
243.06645	6.3
259.06152	100.0
260.06561	6.9
269.04544	1.4
273.07822	1.7
283.06186	17.0
284.06534	0.7
287.05679	61.1
288.05927	5.3
301.07242	8.3
311.05597	1.9
313.07178	1.9
316.52383	0.6
341.05350	0.6
343.07190	0.7
361.09515	0.9
403.10489	0.9
421.11530	19.1
422.11868	1.8
449.11130	8.0
450.11285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	11.7
59.01263	23.5
60.01604	1.6
61.01691	0.7
61.98714	67.2
62.02069	0.7
62.98410	1.1
63.02284	1.5
65.00208	4.2
67.01744	0.7
71.01277	2.7
71.05157	1.2
78.31350	0.6
81.03351	2.7
83.01269	8.9
85.02872	1.4
89.02338	2.1
93.03365	4.1
95.01291	1.1
97.02859	1.4
101.02345	2.3
107.01286	7.0
107.04935	1.3
108.02105	1.1
109.02849	2.9
113.02334	1.1
113.03565	0.7
117.03378	1.7
119.03419	1.1
121.02864	6.9
123.04433	1.9
124.01618	1.3
125.02363	100.0
126.02699	2.5
131.04973	1.5
133.02863	2.5
135.04451	1.6
137.02368	3.7
139.03925	2.2
149.02376	7.7
151.00307	27.6
152.01117	6.0
153.01860	9.9
156.05698	0.9
157.06425	0.7
158.03693	1.4
159.04468	1.9
161.04507	1.5
163.00349	1.4
165.01877	17.2
167.03464	2.2
169.06529	2.2
171.04471	0.8
172.05199	1.4
173.06024	5.7
175.04041	1.2
176.01096	1.4
177.01761	1.2
177.05479	3.1
178.99828	14.0
179.03423	5.1
181.06531	1.5
187.07594	0.8
191.89388	0.7
193.01416	1.2
194.08676	0.7
197.06053	2.8
199.03961	1.3
199.07637	0.8
200.04761	1.1
201.05540	3.3
213.05591	1.3
215.07097	4.7
219.06363	0.8
225.05554	3.6
237.94063	0.7
238.66618	0.6
241.05072	4.5
242.14761	0.7
243.06625	5.4
259.06143	71.6
260.06445	4.9
268.03851	0.7
269.04593	73.9
270.04929	5.8
283.06238	1.6
283.37323	0.7
287.05661	46.7
288.06046	2.7
311.05566	2.2
342.06046	2.4
375.55444	0.9
389.21692	2.1
412.35983	0.7
421.11609	2.6
431.09866	2.3
449.10968	67.3
450.11273	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	449.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73059	0.2
57.03342	0.3
59.01263	5.1
60.01593	0.2
61.98714	1.9
63.02285	0.7
65.00208	6.5
69.96899	0.6
69.97289	0.5
71.01259	1.2
71.31670	0.2
74.90450	0.2
75.00728	0.2
83.01270	3.1
85.02840	0.7
89.02337	0.6
91.26445	0.2
93.03350	0.4
97.02882	0.3
98.20538	0.3
101.02345	0.8
103.01775	0.5
103.15799	0.2
107.01293	13.3
107.04886	0.4
108.02115	0.3
109.02859	2.4
113.02348	0.4
119.03427	0.4
125.02364	3.4
125.25304	0.2
131.01317	1.0
133.02898	0.4
134.03650	1.0
135.04442	58.8
136.04784	1.9
137.02368	0.6
149.02391	0.4
151.00302	64.7
152.00647	2.1
161.02382	0.8
164.01088	0.5
165.01851	0.6
167.03459	0.3
169.01407	0.7
175.00317	5.3
177.01904	0.8
189.02028	0.3
191.01848	0.3
193.01389	1.9
201.94991	0.3
201.96884	0.3
205.01419	0.3
207.41182	0.2
209.11987	0.3
217.01367	0.6
267.07291	0.3
269.04599	1.7
269.13959	2.3
275.09338	0.4
285.03751	0.2
287.05661	100.0
288.02728	0.4
288.06009	6.9
311.05585	0.6
313.05750	1.0
329.06558	0.4
332.14151	0.3
389.21527	0.5
407.07608	0.5
449.11053	2.9
449.19858	1.9
450.11401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
54.42405	0.2
55.29698	0.2
57.03336	0.3
59.01262	1.7
61.98713	0.9
62.42847	0.2
63.02282	1.1
65.00208	7.7
69.03337	0.4
70.17892	1.1
71.01270	0.4
83.01271	4.3
85.02847	0.8
89.02377	0.4
95.73490	0.2
98.19856	0.3
99.00773	0.4
107.01292	15.8
108.01551	0.4
108.02185	0.3
109.02875	1.6
124.07611	2.4
124.83717	0.2
125.02362	5.4
133.02895	0.5
134.03662	1.1
135.04445	63.8
136.01587	0.5
136.04767	2.0
137.02405	0.3
149.02425	0.3
151.00305	100.0
152.00636	3.4
159.04549	0.3
161.02373	1.6
164.01054	0.3
165.01868	0.8
169.01387	1.9
174.03152	0.3
177.01886	0.7
191.05460	0.3
196.00146	0.4
201.05486	0.3
243.14926	0.4
255.02867	0.3
256.03317	0.3
257.03412	0.3
269.04630	0.6
271.02637	0.3
272.02823	0.5
273.03171	0.7
275.09280	0.5
287.05667	52.1
287.14032	3.9
288.05978	3.7
288.95471	0.2
297.09875	0.7
300.02802	0.8
301.03354	1.1
301.15399	0.3
302.03436	1.7
303.04147	0.8
313.05786	0.6
329.15283	0.4
443.89368	0.2
449.10880	17.1
450.11237	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1507
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01267	5.4
61.98716	1.1
62.96292	25.0
69.53049	1.3
69.53468	2.8
71.01272	0.6
78.95791	56.7
80.97359	36.1
98.14466	0.5
104.07106	0.4
123.14639	0.5
149.00038	13.7
151.01505	0.6
152.99500	0.9
161.04460	0.6
179.01122	1.5
205.15964	7.2
206.59007	0.5
242.98280	5.3
285.12686	2.0
300.02908	0.6
301.03290	0.8
302.03314	1.6
303.04248	1.3
355.16901	18.2
356.16986	1.3
385.17950	25.4
386.18210	2.1
389.21521	0.7
449.15079	100.0
450.15433	9.2
450.52975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17509	1.0
57.03326	4.0
58.00473	2.5
59.01262	100.0
60.01592	1.7
61.98705	3.4
65.00212	2.2
65.49965	0.8
70.33268	3.4
71.00900	1.6
71.01273	23.6
72.99194	4.3
73.02831	1.6
75.00757	4.5
83.01275	3.7
85.02838	10.9
87.00760	3.2
89.02333	18.3
92.69214	0.8
93.03320	1.3
95.01289	5.1
97.62513	0.8
99.00776	3.1
99.04427	9.0
101.02348	10.2
107.01278	3.0
109.02856	4.5
109.99997	4.1
111.00792	2.8
113.02338	9.3
117.01884	1.7
117.03367	1.7
119.03439	6.1
119.04910	4.5
123.00783	3.0
124.01571	3.4
125.02361	6.4
129.01878	1.2
131.57520	0.9
135.00739	0.9
135.04451	1.1
137.02393	3.0
137.09621	1.3
139.00323	5.2
143.03371	1.1
148.01646	1.1
149.02379	2.7
150.03169	1.0
151.00314	11.5
152.01059	5.2
153.01897	2.4
155.10718	20.1
156.11049	1.2
159.04456	2.4
161.02321	1.0
161.04532	2.3
163.00340	3.5
163.04036	4.5
164.01117	3.4
165.12782	4.1
165.99045	3.8
166.99767	3.0
169.01169	0.8
173.04596	1.6
173.06012	2.1
174.03204	1.6
175.04016	1.1
177.01772	1.3
178.79111	0.9
178.99802	8.5
179.03392	0.9
179.05635	2.4
181.01347	1.3
183.04489	1.1
187.04005	2.7
187.07582	6.2
187.10942	1.0
188.04761	0.9
191.05559	8.1
192.00626	1.4
193.01378	2.5
199.03902	4.5
199.09753	3.5
201.01892	1.3
201.05602	1.4
202.06322	2.2
203.03465	3.2
206.99356	1.9
207.13873	10.2
208.00249	1.2
209.11809	24.1
213.01958	1.4
213.09190	1.5
213.11278	1.2
214.02759	1.8
215.03445	2.6
215.07135	2.2
216.04257	1.3
216.07806	0.9
225.14949	7.1
227.03519	4.7
229.01158	1.1
231.02951	4.3
231.10278	3.3
241.01459	1.5
242.02202	4.0
243.03079	7.9
244.03664	1.7
245.04396	1.3
249.06169	3.6
251.13000	4.6
255.02902	4.8
257.08163	2.0
259.02499	2.7
269.13977	91.9
270.01697	7.5
270.14282	3.7
271.02545	30.3
272.03128	6.1
273.04083	5.9
273.13437	1.6
275.09296	6.7
285.04141	1.1
287.02051	13.3
287.05630	3.2
288.02737	9.4
289.03302	1.1
298.01135	1.5
299.02023	22.8
300.02249	1.3
316.02271	47.3
317.03033	29.8
318.03375	1.6
389.21988	6.6
405.08081	1.1
408.52533	1.0
431.06253	1.4
449.07327	76.7
449.15405	7.6
449.21191	53.8
450.07709	7.3
450.21396	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	449.2316
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
59.01264	2.1
61.98703	0.6
62.96284	0.3
71.56722	0.1
73.02802	0.2
78.95790	50.0
96.96858	6.2
99.92496	0.2
101.02338	0.2
116.92760	1.5
116.97182	0.2
117.01839	0.3
150.97940	1.7
152.99518	100.0
153.99835	1.2
156.89433	0.4
171.00601	4.1
182.34549	0.2
195.13957	0.2
273.03253	0.2
277.21857	0.2
295.22711	0.4
299.50592	0.2
301.03366	0.2
302.03555	0.4
389.21640	0.2
449.09854	0.7
449.23151	16.0
450.23477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2317
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
59.01264	4.5
61.98716	9.0
67.41892	0.3
71.01265	0.5
71.56329	0.4
71.56720	0.6
74.79886	0.3
78.95794	50.5
96.96861	5.9
116.92806	0.9
121.02902	0.7
136.69341	0.3
137.24329	0.3
150.98004	2.2
151.00307	0.3
152.99521	100.0
153.99893	1.3
162.12204	0.4
171.00597	4.8
178.95668	0.4
295.22931	0.5
302.03540	1.0
303.04156	0.8
316.02057	0.5
345.20581	0.4
367.16180	0.4
389.21619	0.7
449.09705	1.6
449.23190	15.2
450.23605	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	450.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
55.92605	0.2
57.03325	0.3
59.01266	6.6
60.01596	0.6
61.01687	0.5
61.98717	100.0
63.02263	0.4
64.02625	0.3
65.00212	0.4
71.01270	3.0
71.56866	0.4
71.57281	0.2
72.01640	0.4
72.99191	0.3
73.02837	0.6
74.03300	0.2
75.00767	0.4
83.01286	0.8
85.02843	1.3
86.03181	0.3
87.00814	0.3
89.02338	1.8
90.02657	0.3
95.01220	0.2
96.95895	0.3
97.02899	0.2
97.06514	0.2
99.00793	0.2
101.02333	2.2
102.02689	0.4
107.01292	1.1
109.02899	0.5
111.00793	0.2
113.02367	1.2
114.02735	0.4
119.03436	0.8
119.04957	0.6
123.04459	0.3
124.01597	0.5
125.02374	1.5
126.59034	0.2
133.02953	0.3
135.02931	0.5
135.04424	0.6
137.02393	0.7
149.99541	0.4
150.05383	0.2
151.00308	2.7
152.01071	2.2
153.01512	1.0
161.02365	0.4
161.04538	0.7
162.04732	0.2
163.03925	0.3
166.06371	0.2
167.03479	0.9
168.00616	0.3
169.01431	0.7
170.01715	0.3
177.01871	1.2
178.99805	1.8
180.00070	1.1
189.01883	1.5
190.02724	0.3
199.07770	0.2
203.03494	0.6
226.05817	0.3
228.03831	0.2
231.03191	0.3
232.03831	0.8
233.04538	0.6
243.02957	0.5
243.06682	0.3
259.02573	0.8
259.06223	0.2
260.06512	0.2
269.04572	1.9
270.01999	0.4
270.04916	4.6
270.07635	0.4
271.02527	0.6
271.06183	0.3
272.02829	1.0
272.06589	0.2
287.02161	1.0
287.05255	0.4
288.02505	0.8
288.05936	0.5
289.03342	0.2
289.07278	0.6
304.02374	1.0
305.03214	0.6
316.02249	1.3
317.02698	3.4
318.03293	0.4
323.34470	0.2
331.08359	0.3
341.06708	0.3
365.18359	0.5
388.21014	0.3
389.21463	0.5
390.21777	3.3
391.20221	0.6
407.19342	0.8
415.16547	0.2
450.07056	1.1
450.12381	4.3
451.08411	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	450.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.5
59.01262	13.3
60.01596	1.7
61.01688	1.9
61.98714	100.0
63.58814	0.4
63.99142	0.8
65.00224	0.9
68.14397	0.4
71.01280	2.1
71.56755	0.6
72.01587	0.5
75.00748	0.6
81.03356	0.7
81.97487	0.4
83.01287	1.7
85.02847	0.9
89.02338	1.5
93.03374	0.8
95.01305	0.5
96.71929	0.6
96.95950	0.6
101.02353	1.9
107.01285	1.4
109.02828	0.7
113.02331	0.6
117.73746	0.6
119.03467	0.7
121.02892	1.3
123.04367	0.5
125.02364	18.9
126.02693	7.5
135.04413	0.6
137.02354	0.6
149.02367	1.7
149.04411	0.5
150.02711	0.8
151.00307	4.4
152.00650	2.6
153.01871	2.3
154.02229	1.1
161.04474	0.9
165.01880	3.5
166.02228	2.7
167.02315	0.5
173.05971	1.1
174.06314	0.5
178.05838	0.6
178.99794	2.8
179.03436	0.7
180.00168	1.6
180.03841	0.8
188.07874	0.5
197.05762	0.5
198.06384	0.5
216.07556	0.7
226.05798	0.6
241.05052	0.5
242.05420	1.2
243.06598	1.0
244.07098	0.6
259.06140	7.6
260.06491	14.5
261.06604	0.7
269.04633	7.3
270.04941	13.9
271.05124	1.2
287.05627	4.2
288.06000	8.2
288.08981	0.7
308.43466	0.5
390.22183	1.0
422.11890	0.8
432.31998	0.5
450.11258	15.3
451.11230	1.4
451.21875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0715
Annotation	glycosmisic acid sulfate
Peak:m/z	Relative Intensity
59.01261	2.5
60.01617	0.2
61.98708	0.9
69.03345	0.2
70.33272	0.2
70.33666	0.2
71.01276	0.7
73.02840	0.2
75.00783	0.1
79.95623	5.0
80.96416	0.1
81.03351	0.1
83.01280	0.2
85.02838	0.4
88.98610	0.1
89.02338	0.8
90.02686	0.1
93.03349	0.5
96.95909	100.0
97.02824	0.2
97.95833	0.2
101.02338	0.5
106.04117	0.1
106.49134	0.1
108.02057	0.3
109.02847	0.5
110.97494	0.3
113.02351	0.3
119.03444	0.2
119.04973	0.1
123.04447	0.3
124.01559	0.1
125.02354	1.8
134.03656	0.1
135.02901	0.1
135.04468	0.2
137.02370	2.1
147.04422	0.2
149.02411	0.1
150.03156	0.2
151.00301	0.1
151.03970	0.5
160.05214	0.3
161.02403	0.1
161.04466	0.2
163.03932	0.4
165.01924	0.1
167.03430	0.6
169.01373	2.5
177.01900	0.2
179.03481	0.2
179.05600	0.1
188.04753	0.1
191.03441	0.2
191.07144	0.2
204.04282	0.1
205.01360	0.1
217.01500	0.1
219.06554	0.1
223.07613	0.1
232.10768	0.1
239.07124	0.4
245.01166	0.2
249.05667	0.1
267.06680	1.5
268.07269	0.2
279.06790	0.2
282.08981	0.3
289.07254	0.4
289.14523	0.8
295.06308	0.1
297.11191	0.1
303.31601	0.1
309.07721	0.2
311.05609	0.2
313.05780	0.1
323.05658	0.3
325.21872	0.4
326.07974	1.1
327.08768	0.2
329.06461	0.1
341.06592	0.3
341.10355	0.5
353.10208	0.2
357.31659	0.1
368.74512	0.1
371.11526	0.2
390.22290	0.4
391.24457	0.7
394.98206	0.1
436.04761	0.2
450.15695	0.1
451.07098	29.4
452.07425	2.6
474.47702	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.3
59.01260	1.4
59.36914	0.3
61.29203	0.3
63.47421	0.3
68.46515	0.3
69.03339	1.3
71.01289	0.4
75.00777	0.4
81.03341	0.7
83.01273	0.6
85.02844	0.9
93.03357	29.3
94.03682	1.1
95.01287	1.0
96.95916	1.3
97.02856	1.3
107.01303	1.0
108.02073	0.7
109.02843	1.1
113.02336	0.6
121.02863	0.9
122.40066	0.3
123.00807	5.3
124.01582	13.7
125.02369	28.4
126.02726	0.5
135.04381	0.4
136.01540	0.4
137.02374	45.1
138.02692	1.5
139.03917	0.5
144.80519	0.4
149.02336	0.6
149.99527	25.6
151.00313	2.3
151.03947	0.6
165.01900	0.4
167.03429	0.8
168.00592	55.0
169.01347	5.5
171.16710	0.4
193.01416	0.7
201.87085	0.3
211.02444	0.3
227.03519	3.5
238.96259	0.4
269.06793	0.6
313.05716	13.5
314.06006	1.0
331.06766	28.8
332.07169	1.7
392.47598	0.4
451.08896	100.0
452.09244	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	451.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59028	0.3
59.01236	1.0
65.00183	0.3
69.45187	3.1
89.03800	0.4
91.01774	0.5
93.03330	0.6
95.04895	1.0
103.05408	0.4
109.02858	21.4
110.03157	0.7
115.44318	0.4
117.03384	0.4
119.04899	1.4
121.02859	0.6
123.04439	8.8
124.04736	0.5
125.02327	0.7
133.02884	3.2
134.03629	0.8
135.04385	0.5
137.02344	0.5
145.02859	1.3
147.04462	2.7
148.01683	0.4
148.40453	0.3
149.02390	0.9
150.03072	0.9
151.03943	5.1
153.01869	1.8
159.04459	1.2
161.02380	6.2
162.03127	1.4
163.03918	1.5
175.03915	0.9
176.01103	0.8
177.01891	21.1
178.02263	0.9
187.03951	1.5
188.04683	0.6
189.01892	40.0
190.02657	9.7
191.03459	7.9
201.01907	0.5
203.03482	3.9
213.01912	0.4
216.00642	6.1
217.01408	23.6
218.02013	2.6
219.02975	9.4
222.01672	0.7
227.07120	0.5
229.08714	0.7
231.02997	8.3
232.03587	0.8
233.04442	0.7
235.07805	0.3
245.08295	0.4
257.04416	0.5
265.05161	0.5
281.04517	2.3
286.42130	0.4
287.02011	0.4
287.05765	0.7
289.03976	0.6
289.07217	2.0
297.07675	1.7
299.05707	4.0
301.03091	0.4
302.03656	0.4
303.03818	0.7
304.04129	1.0
305.04675	0.7
323.05630	1.0
327.05069	0.7
341.06711	100.0
342.07010	7.5
363.95612	0.4
451.10455	28.9
452.10812	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42054	0.5
55.77674	0.5
57.03333	1.0
59.01268	5.7
61.98712	2.0
63.64386	0.5
70.29914	1.2
70.30313	1.4
71.01276	1.9
75.00765	1.2
75.82194	0.4
81.03365	0.6
83.01266	0.6
85.02870	0.9
88.54453	0.5
89.02352	1.7
89.03865	0.8
93.03390	0.6
95.04914	0.7
99.04435	0.7
101.02363	0.9
108.02087	1.6
109.02864	29.9
117.03374	0.8
119.04949	4.2
121.02869	1.2
122.03630	0.6
123.04428	9.2
123.89794	0.6
123.90805	0.5
125.02360	1.3
133.02881	5.7
134.03670	3.0
135.02966	3.0
135.04471	2.1
136.95532	0.6
137.02373	3.6
145.02962	0.8
147.04468	1.9
149.02406	2.4
151.03949	7.1
153.01875	0.9
159.04489	1.4
161.02390	9.3
162.03177	7.0
163.03955	8.3
165.01950	0.6
175.04015	0.8
176.01132	1.3
177.01904	38.4
178.02278	1.5
187.04034	3.8
188.04778	2.6
189.01904	34.4
190.02698	15.9
191.03444	3.1
203.03487	2.0
203.07138	0.7
211.45834	0.5
213.05617	0.7
216.00655	7.1
217.01424	12.2
218.02069	2.6
219.03003	7.6
222.01697	2.0
227.07114	2.1
229.08693	3.4
231.02994	4.0
232.03831	1.6
241.66908	0.6
253.05064	0.9
254.05800	1.2
255.06786	1.0
257.04651	0.9
269.08041	0.7
279.06778	0.9
281.04626	11.0
282.05276	2.0
287.05652	4.8
289.07169	2.8
297.07742	5.9
299.05692	23.5
300.06064	2.5
323.05621	0.8
341.06741	100.0
342.07092	9.0
391.23444	1.4
402.76212	0.5
451.10422	24.8
451.28488	1.9
452.10837	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	451.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.3
59.01266	2.5
61.98677	1.0
65.03809	0.4
69.64185	1.1
69.64601	0.5
71.01241	0.7
71.24006	0.3
79.95583	0.9
85.02820	0.4
89.02312	0.6
89.03835	0.6
91.01771	0.6
93.03332	0.6
95.04929	1.2
96.95910	16.0
101.02304	0.9
103.05441	0.5
105.03363	0.4
108.02053	0.8
109.02860	25.3
110.03188	0.6
113.02375	0.3
117.03338	1.0
119.03381	0.3
119.04955	1.8
121.02839	0.9
122.03653	0.5
123.04436	14.1
124.04717	0.6
125.02319	0.6
133.02876	4.7
135.00786	0.5
135.04413	0.4
137.02347	0.6
139.03897	0.3
145.02893	1.5
146.03668	0.3
147.04440	4.3
148.01604	0.5
149.02345	1.2
150.03139	1.0
151.03944	7.4
159.04509	1.4
161.01088	0.5
161.02386	6.9
161.04425	0.5
161.05928	0.3
162.03018	0.9
163.03911	1.1
167.03447	0.5
174.03069	0.3
175.03928	0.7
176.01033	1.3
177.01889	25.7
178.02187	1.0
187.03981	1.5
189.01901	57.5
190.02644	13.0
191.03476	12.2
192.03853	0.4
201.01801	0.4
203.01588	0.4
203.03497	6.6
205.05052	0.4
216.00641	8.8
217.01419	35.9
218.01962	3.5
219.02988	14.0
220.03275	0.6
231.02997	11.3
232.03593	1.4
233.04494	1.4
267.06705	0.3
279.06567	0.3
281.04611	0.9
287.89325	0.3
289.07233	2.2
295.06116	0.3
297.07718	0.6
323.05658	2.0
341.06714	100.0
342.07071	7.8
391.23682	1.2
451.10745	26.2
452.11081	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	451.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11795	0.3
54.97885	0.3
57.03337	1.5
59.01265	8.2
61.98714	2.0
65.00218	0.5
70.97945	0.9
71.01266	1.8
72.99186	0.3
73.02832	0.8
74.03484	0.2
75.00771	0.3
79.95631	0.3
81.03304	0.5
83.01264	0.5
85.02840	1.1
89.02337	1.5
89.03848	0.3
93.03363	1.4
95.04909	1.2
96.95908	3.7
98.95499	0.4
99.00761	0.4
99.04414	1.2
99.85180	0.3
101.02334	2.0
103.05439	0.6
105.03365	0.6
108.02071	0.7
109.02859	23.0
110.03192	0.7
111.04450	0.4
113.02343	0.7
117.03364	0.9
119.03410	0.5
119.04906	1.6
121.02892	1.1
122.03652	0.6
123.04437	11.4
124.04788	0.4
124.89732	0.3
125.02370	2.6
133.02878	4.2
134.03625	0.4
135.00780	0.7
135.02899	0.6
135.04424	0.9
137.02394	0.8
139.03947	0.9
145.02892	1.8
147.04440	3.3
149.02373	0.6
149.13322	0.4
150.03142	1.3
151.00339	0.6
151.03955	5.5
153.01822	0.4
158.03632	0.7
159.04457	1.3
161.02376	6.9
161.04547	0.8
161.05917	0.4
162.03052	0.5
163.03877	1.3
165.01903	0.3
166.02675	0.3
167.03453	0.4
175.03891	0.3
176.01080	0.9
177.01883	25.4
178.02185	1.0
179.05608	0.4
187.03989	1.2
188.04665	0.5
189.01900	57.9
190.02628	10.3
191.03477	9.1
192.03882	0.4
201.01898	0.7
202.02675	2.3
203.03485	6.4
204.03871	0.3
205.44559	0.3
213.01938	0.4
215.03493	0.4
216.00626	7.2
217.01411	37.1
218.01993	3.0
219.02985	12.2
220.03291	0.6
227.07166	0.4
229.05128	0.4
231.03000	11.4
232.03577	1.2
233.04620	1.4
241.05156	0.4
245.00999	0.4
255.06624	0.4
269.04587	0.5
271.06216	0.6
274.23227	0.3
281.04572	0.9
283.06085	0.5
287.05652	0.7
289.04181	0.4
289.07031	1.9
289.12115	0.4
297.07800	0.5
299.05618	2.3
304.02246	0.6
305.03204	0.3
311.05682	2.2
323.05569	1.5
327.05133	0.5
341.06717	100.0
342.07077	9.2
342.11285	0.4
357.06271	3.6
391.23569	1.0
451.10431	33.9
452.10733	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	451.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
67.13395	0.3
67.27368	0.3
71.01238	0.3
71.37267	0.5
72.99950	0.3
73.02851	0.3
81.03340	0.5
86.24585	0.3
93.03355	0.6
94.49802	0.3
95.04907	0.8
100.21800	0.3
105.03436	0.3
108.02063	0.8
109.02863	21.2
110.03190	0.6
111.28606	0.3
116.67128	0.3
119.04935	0.5
121.02827	0.5
121.78413	0.3
123.04450	8.3
125.02340	0.6
133.02887	3.4
134.03601	0.4
135.04419	0.9
137.02324	1.1
139.03810	0.4
145.02931	0.7
147.04466	1.4
148.01602	0.5
149.02367	1.0
150.03185	0.7
151.03958	4.5
159.04442	0.9
159.97476	0.3
161.02394	6.2
162.03162	1.7
163.03931	0.5
168.00571	0.9
173.02364	0.5
175.03961	0.4
176.01094	1.3
176.04710	0.4
177.01904	20.5
178.02191	0.8
183.39734	0.3
187.03979	3.0
188.04776	1.5
189.01920	20.4
189.05504	0.7
190.02678	8.6
191.03465	4.0
197.61633	0.3
203.03453	1.6
203.07114	0.5
212.04727	0.6
213.05547	0.4
216.00653	6.4
217.01419	12.8
218.02077	1.7
219.03001	5.8
219.48357	0.3
222.01709	1.0
227.07111	1.1
229.08698	1.9
231.02991	4.4
232.03670	1.1
232.58290	0.4
233.04443	0.6
237.05602	0.4
245.08302	0.7
253.05110	0.6
255.06561	0.9
257.04630	0.5
264.04208	0.4
265.04956	0.6
277.05423	0.3
279.06805	0.4
281.04620	7.4
282.05273	1.3
289.07257	2.2
290.07547	0.3
295.06152	0.6
297.07733	4.6
298.08163	0.3
299.05743	2.7
323.05753	0.7
341.06726	100.0
342.07031	8.3
435.68024	0.3
451.10388	18.7
452.10532	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	451.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
69.19884	0.2
69.22353	0.2
71.01256	0.7
71.40932	0.2
71.57812	0.4
72.99194	0.3
76.99744	0.2
78.95788	0.4
81.16331	0.2
87.00771	0.4
89.02334	1.2
90.15006	0.3
95.16872	0.2
96.95909	0.3
101.02332	0.4
108.12402	0.2
108.90103	100.0
108.93644	4.3
110.89814	5.7
112.89541	0.2
113.02337	0.4
119.03397	0.3
126.90275	1.4
130.88766	0.2
136.93140	0.5
150.11868	0.2
168.91385	2.0
179.05522	0.3
180.91315	0.6
192.95851	1.1
198.92459	0.3
205.72218	0.2
228.93518	0.8
231.25172	0.2
234.96864	0.8
294.99261	0.3
377.08667	0.9
415.03391	0.7
415.14713	3.3
451.12274	3.9
452.13025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43205	0.4
53.09674	0.3
55.01773	0.7
57.03341	1.2
58.00468	0.7
59.01263	100.0
60.01604	0.6
61.98716	3.4
69.03342	0.5
71.01270	14.0
71.76398	0.4
72.99179	0.8
73.02840	3.0
75.00790	0.6
77.74630	0.4
79.18177	0.4
79.95631	1.3
80.96432	0.5
81.03335	0.6
83.01262	2.4
85.02837	6.0
87.00783	1.1
89.02339	9.5
93.03361	1.4
95.01309	1.5
95.95122	1.3
96.95913	36.7
97.02885	0.4
99.00815	1.1
99.04427	0.4
101.02345	9.9
107.01293	1.5
109.02860	2.4
112.03173	0.4
113.02354	6.2
119.03394	4.4
119.04893	2.0
121.02817	0.4
123.00801	0.4
123.04419	2.1
124.01608	0.5
125.02357	4.5
129.01874	0.7
132.77994	0.4
135.02919	1.3
135.04456	1.7
137.02406	2.4
138.97076	1.1
143.03429	1.6
149.02281	0.6
150.97008	1.0
151.00322	4.6
151.03989	0.8
152.00674	0.5
153.01912	0.8
154.18571	0.5
159.02928	0.9
161.02359	1.1
161.04492	7.5
163.03909	2.1
167.03448	3.8
168.00552	0.7
169.01347	2.7
176.98431	0.4
177.01859	2.2
179.03441	0.6
179.05557	2.2
180.98135	0.6
187.03845	0.5
189.01935	2.3
190.02643	1.0
191.03474	1.5
192.00729	0.5
193.01363	0.8
198.99057	0.4
203.03455	0.7
217.01390	1.3
219.02910	0.8
229.18118	1.6
231.03064	0.5
233.04457	0.6
241.00293	2.4
261.04102	0.4
287.05618	0.6
289.07114	3.5
295.06500	0.6
300.21048	0.4
301.03156	0.4
304.03860	0.5
313.07257	0.7
331.06787	1.8
341.06735	5.3
342.07111	0.6
357.06448	0.7
391.23444	48.1
392.23798	4.3
451.09720	7.6
451.16455	58.8
452.10501	1.5
452.16800	6.2
462.02524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38421	0.3
52.69756	0.3
57.03341	0.7
59.01265	8.5
60.01600	1.2
61.01694	0.6
61.98714	100.0
63.29755	0.4
65.00177	0.4
71.01269	3.0
71.07951	1.0
72.01622	0.5
73.02838	0.9
75.00768	0.8
77.26889	0.4
85.02847	1.2
87.00767	0.4
89.02325	1.9
96.95941	0.6
99.00779	0.6
101.02369	1.9
102.02706	0.4
109.02883	0.6
113.02312	0.8
119.03426	0.5
119.04941	0.6
123.04442	0.5
125.02383	0.9
135.02937	1.6
135.04498	1.0
137.02374	0.6
149.04507	0.8
151.00354	0.4
161.04596	0.7
167.03543	0.7
177.62027	0.3
179.03416	1.2
183.39455	0.4
195.04855	0.4
195.06610	0.4
217.10817	0.4
261.13446	0.4
273.02951	0.4
277.78000	0.3
289.07263	0.8
290.03241	0.4
317.02872	0.5
318.02863	0.4
319.03113	0.8
379.12830	0.5
390.22327	0.7
391.22296	1.0
392.22723	4.3
393.17685	0.5
419.12332	0.4
452.08188	1.9
452.22354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2792
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96293	0.3
69.80257	0.2
70.96772	0.4
70.97092	0.2
78.95794	20.7
88.14802	0.2
96.96851	0.2
114.11814	0.2
122.00037	1.0
134.98404	0.3
140.01115	5.3
152.99509	1.6
160.84036	0.2
166.02596	0.2
171.00629	0.2
196.03775	9.8
197.04169	0.3
214.04849	2.0
255.23325	100.0
256.23672	7.6
337.89349	0.2
407.20569	0.2
407.29645	0.2
452.27930	33.8
453.28796	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	453.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02237	0.8
55.01767	1.6
57.03316	1.7
57.21576	1.0
58.00476	2.9
59.01262	100.0
60.01593	1.3
68.89703	0.9
69.03321	1.0
69.95847	4.3
71.01271	34.8
71.01669	2.1
72.99184	3.9
73.02836	15.6
74.03115	1.0
75.00747	2.6
83.01273	3.5
85.02840	12.2
87.00766	7.5
87.04411	1.5
89.02335	35.3
90.68602	0.9
95.01275	1.9
96.95909	1.3
97.02845	1.1
99.00737	1.9
99.04383	1.1
101.02345	45.1
103.03905	13.2
104.34462	0.9
107.01239	1.5
108.02055	1.2
109.02851	2.6
113.02352	9.0
115.03896	3.5
119.03416	13.5
119.04802	2.1
121.02862	1.1
123.04414	1.1
125.02367	5.3
127.03963	1.3
131.03424	9.7
135.02866	1.3
143.03441	9.2
145.04970	4.1
149.04514	1.0
151.00282	4.5
152.01079	1.2
153.01926	1.8
160.91394	0.9
161.04472	3.8
163.06064	56.9
164.06383	1.6
165.01862	1.5
175.03941	1.1
178.99680	1.3
179.03351	1.1
179.05562	5.9
184.16431	0.9
191.02005	1.0
192.51624	1.1
205.05258	1.9
205.07133	16.1
233.04517	1.4
247.11885	3.8
261.13428	5.3
265.09290	6.6
289.07211	3.8
296.59964	1.0
381.05569	1.1
393.17734	46.2
394.18207	3.1
453.10205	1.6
479.04752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62619	1.1
52.81856	1.0
55.01777	1.1
57.75180	1.2
58.00483	1.3
59.01261	100.0
61.16548	1.2
69.03349	1.8
69.83440	5.2
71.01267	33.0
71.01668	1.6
72.99203	5.2
73.02827	15.4
75.00769	2.1
79.01237	1.1
81.03356	1.2
83.01276	3.2
85.02839	9.8
85.99999	1.5
87.00761	7.0
87.04427	2.0
89.02332	35.4
93.03377	1.9
95.01273	2.2
95.04903	1.4
96.95914	3.5
97.02860	2.3
101.02343	39.3
103.03901	11.7
108.02038	1.6
109.02858	7.9
113.02348	8.1
115.03906	4.0
119.03436	12.5
119.04940	5.4
123.04431	4.3
125.02358	6.1
127.04012	1.1
131.03415	7.2
135.04446	2.9
137.02371	4.8
143.03441	10.1
145.04988	3.3
151.00304	1.3
151.03922	2.9
152.01064	2.1
161.06023	1.6
163.03899	2.8
163.06071	62.0
164.06325	1.7
165.01871	3.7
179.03458	1.7
179.05539	6.1
188.03085	1.2
191.03491	2.4
203.07126	5.9
205.05157	2.3
205.07152	15.6
233.04559	2.1
245.08202	2.5
247.11949	2.2
265.06723	1.5
265.09219	6.4
289.07214	17.1
290.07477	1.6
296.88123	1.3
315.08847	4.1
341.06744	1.3
393.17712	37.4
394.17798	3.5
396.06866	1.6
435.10608	1.3
453.11850	4.7
453.30508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	1.9
59.01262	100.0
59.24559	0.9
61.98703	2.0
64.92620	1.1
67.07484	0.9
69.41740	0.9
69.42062	8.6
71.00898	1.8
71.01272	30.4
72.99165	1.5
73.02826	4.1
79.96721	0.8
80.01142	0.9
82.88114	0.8
83.01291	2.2
85.02838	5.6
87.00751	1.7
89.02335	71.8
97.02853	1.5
97.96333	0.9
99.00773	2.5
101.01716	1.4
101.02349	22.4
113.02359	13.4
119.03411	16.2
120.30794	0.9
125.02364	1.7
129.01816	1.6
131.03424	45.6
132.03787	1.8
135.02872	1.7
135.04424	1.8
143.03453	4.4
149.04494	27.5
151.00383	1.3
161.04475	5.1
162.02379	1.0
179.03439	1.6
179.05562	21.1
191.05568	16.4
195.05035	1.0
221.06735	1.8
251.07631	2.2
261.13452	12.1
289.07208	1.6
311.91711	0.9
315.08612	1.1
393.17715	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3018
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
59.01266	0.5
59.29564	0.2
59.85660	0.2
61.98705	0.4
65.05665	0.2
69.31262	2.4
75.41925	0.2
78.95795	0.4
83.58262	0.2
98.19769	0.4
110.84447	0.3
112.56730	0.3
122.36326	0.3
130.77878	0.2
157.71584	0.3
162.83873	0.5
291.19748	0.5
451.64041	0.3
453.30185	100.0
454.03592	0.3
454.30536	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	453.3381
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
64.42318	0.2
69.27238	0.7
69.27657	1.5
69.36900	0.2
86.96563	0.2
97.06475	0.2
98.19752	0.4
101.87341	0.2
110.48562	0.2
137.00664	0.2
142.46545	0.2
146.64255	0.2
279.23334	2.0
280.23672	0.3
334.30487	0.2
405.32037	0.2
407.33423	0.8
453.33829	100.0
454.34167	12.5
454.40649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3383
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
59.01265	0.6
69.42030	4.3
72.28144	0.4
81.44978	0.5
90.90729	0.5
106.17654	0.5
109.39903	0.5
224.10928	0.5
453.33899	100.0
454.34213	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	455.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.2
57.03337	100.0
58.03670	1.2
59.01263	85.4
61.98716	3.9
69.03336	1.6
71.01269	22.6
71.56129	2.0
72.99197	1.9
73.02836	7.0
78.24120	1.1
78.95835	1.5
81.03345	1.7
83.01274	4.1
85.02834	11.2
87.00745	1.5
88.15422	1.2
89.02330	5.4
97.02879	1.6
99.00771	3.2
99.04418	76.1
100.04740	1.6
101.02343	34.0
104.67209	1.2
113.02322	7.8
125.02366	20.1
134.03642	3.2
135.04405	1.5
135.98355	1.3
137.02406	3.4
143.03484	2.8
159.02924	1.9
161.04474	8.3
165.01866	2.8
171.37190	1.0
171.98047	1.2
177.01883	1.6
178.02704	1.8
179.03477	1.4
186.47456	1.4
191.05544	2.1
203.81787	1.2
205.03525	1.3
223.41603	1.1
271.13391	1.2
311.15027	18.3
312.15332	1.3
341.73672	1.1
419.30527	1.3
455.19510	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	455.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37622	1.1
55.01770	2.6
57.03327	2.9
58.00447	1.2
59.01264	54.9
61.98715	46.4
62.05527	1.2
65.00198	1.2
68.01283	2.0
69.03332	2.8
69.73336	8.3
71.01269	27.7
72.99200	2.1
73.02837	12.0
75.00752	3.8
83.01279	12.1
84.01596	1.1
85.02837	18.1
87.00754	2.8
89.02341	5.7
93.03331	1.7
95.01273	3.3
96.95911	12.3
97.02850	1.6
99.00778	4.9
101.01704	2.2
101.02346	35.1
105.47885	1.3
107.01278	3.5
108.02082	12.1
109.02861	8.3
111.00765	2.1
113.02361	15.4
119.03439	1.7
119.04942	6.4
124.01519	1.6
125.02345	5.3
129.01857	1.7
131.03403	3.1
134.03633	2.2
135.02914	2.6
135.04440	61.2
136.04745	2.7
137.02420	3.0
143.03432	2.4
149.04408	1.3
149.99492	1.5
151.00296	7.8
152.01097	9.4
153.01831	7.1
156.09229	1.2
159.02898	3.1
161.02492	1.5
161.04482	12.3
163.03951	8.7
163.05984	1.8
165.04028	3.5
168.00600	2.2
177.01859	2.8
178.99834	3.8
179.03459	90.5
180.03786	4.9
181.05035	1.4
191.05556	2.1
193.01385	1.9
203.03560	1.3
229.04974	2.5
230.05388	4.4
247.02678	1.5
249.13445	57.1
250.13770	2.3
263.15002	5.6
265.02570	2.4
270.01779	1.6
275.09329	2.9
276.08475	1.3
279.02026	1.8
287.02029	1.5
292.28613	1.2
315.07379	2.5
341.08789	12.1
346.05066	1.7
360.04684	3.0
361.05826	2.6
392.10745	3.5
395.19269	100.0
396.19785	7.5
425.26837	2.0
433.07730	1.7
455.11621	21.2
455.28128	6.7
455.35599	1.8
456.12036	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	455.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39814	0.5
53.69017	0.5
53.76411	0.5
55.01764	2.7
57.03341	2.2
57.24552	0.6
58.00474	0.8
59.01264	46.6
61.98709	2.4
66.33665	0.5
69.03354	1.3
69.08134	0.6
71.01268	27.5
71.12464	0.9
71.12840	1.2
72.99189	1.7
73.02831	13.9
75.00771	1.9
79.40977	0.5
79.95647	1.4
81.03339	1.0
83.01270	10.8
85.02846	15.8
86.31358	0.6
87.00772	1.9
89.02335	4.9
93.03338	0.6
95.01273	1.8
96.95913	8.9
97.02830	0.9
97.08380	0.6
97.36377	0.6
99.00780	5.3
101.02341	39.5
102.02706	0.7
103.03905	1.1
108.02058	5.9
109.02883	4.2
111.00768	1.3
113.02354	14.0
119.03415	1.0
119.04946	4.5
125.02354	3.6
129.01851	1.2
129.05475	1.8
135.02896	1.8
135.04445	1.0
137.02406	0.8
139.03903	1.4
143.03433	1.6
145.05051	0.8
151.00293	1.6
152.01076	6.1
153.01836	3.1
159.02969	3.0
161.02415	0.8
161.04495	10.7
163.03973	7.3
163.06026	1.3
164.04192	0.6
165.03992	1.0
178.99811	1.1
179.03447	0.7
191.84091	0.6
193.01335	0.7
249.13461	59.6
250.13837	2.2
278.51834	0.8
284.89020	0.6
293.12607	1.0
315.07410	2.1
360.05084	0.8
395.19281	100.0
396.19641	9.0
451.14963	0.6
455.11334	6.2
455.28613	0.7
455.35260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83214	0.4
55.01760	2.2
57.03337	2.1
58.00475	1.0
59.01262	78.4
60.01598	1.0
61.98718	2.9
64.67603	0.4
69.03349	0.9
71.01266	26.4
71.05788	0.9
71.06125	0.6
72.99191	1.4
73.02834	10.5
75.00732	1.0
79.95637	0.6
82.09033	0.4
83.01269	6.5
85.02840	17.1
86.00002	0.6
87.00772	1.5
89.02335	3.9
95.01298	2.0
96.95927	2.2
97.02834	1.2
99.00767	4.7
101.02343	39.9
108.02092	0.6
109.02875	0.8
111.00768	0.6
113.02353	12.1
121.02860	0.7
125.02349	2.1
131.03421	48.6
132.03770	0.6
134.03667	0.6
135.04442	1.5
139.03940	0.6
143.03432	2.1
147.04463	2.8
151.00291	0.9
151.03955	2.4
153.05608	0.5
159.02954	2.8
161.04494	10.0
177.01987	0.5
178.99773	0.7
179.03494	0.6
179.05493	0.6
179.06984	0.5
257.08209	1.5
263.15030	100.0
264.15347	6.4
269.22830	0.5
278.01657	0.6
293.01706	0.5
307.14084	1.5
395.19281	28.2
396.19577	1.9
419.13287	0.6
455.15900	1.0
455.21631	0.6
455.31403	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	455.3175
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
50.34625	0.3
51.70736	0.3
52.47042	0.3
52.83399	0.3
59.01257	3.0
61.98717	0.6
69.03340	0.5
71.01266	4.5
73.02797	0.4
78.95771	0.4
80.02576	0.4
81.03349	1.0
83.04910	1.3
84.02063	0.4
97.02850	2.3
97.03397	0.3
99.00789	0.3
106.04171	0.3
107.04928	0.5
107.18194	0.4
109.06497	11.9
110.03648	0.7
121.06503	0.8
123.04494	0.4
125.09648	0.6
127.11240	0.4
135.08072	1.7
136.05199	0.7
142.02690	1.9
145.05586	0.3
158.70277	0.4
161.09555	0.7
163.09984	0.6
163.11234	6.3
166.93532	0.3
171.10199	0.6
179.10643	0.4
181.10886	0.5
181.12238	2.3
183.13849	1.7
185.11736	0.7
189.09192	0.4
197.03114	0.3
197.11703	0.4
199.09715	2.2
207.10240	16.5
208.10518	1.1
209.11766	0.4
211.13377	10.3
212.13681	0.5
225.11304	5.2
226.11783	0.4
227.12790	0.5
227.20189	3.6
243.12320	0.6
277.18137	11.0
278.18658	0.5
279.19675	1.1
295.19186	5.2
296.19327	0.4
345.24341	0.5
363.25412	0.6
369.22806	5.7
370.23499	0.5
455.31683	100.0
456.32062	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	455.3177
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
59.01262	1.5
63.50650	0.2
66.94534	0.2
71.01259	1.8
71.56675	0.3
71.57050	0.2
73.02826	0.3
81.03347	0.4
83.04899	0.5
84.02053	0.2
97.02834	0.8
107.04910	0.2
109.06499	5.3
119.04897	0.2
121.06486	0.3
123.08070	0.2
125.09672	0.4
131.86469	0.2
135.08064	0.7
137.09656	0.2
137.96452	0.2
142.02650	0.4
144.16257	0.2
145.02841	0.3
163.11221	2.2
165.09142	0.3
171.10208	0.6
181.12263	1.1
183.13864	0.5
185.11740	0.3
199.09749	2.3
207.10240	6.8
208.10605	0.3
211.13382	3.4
212.13690	0.3
225.11313	2.6
243.12393	0.4
395.29477	0.5
411.32773	11.4
412.33127	2.2
437.30753	2.1
438.30719	0.5
455.31723	100.0
456.32077	12.9
456.38614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62468	0.2
70.48843	0.3
70.49236	0.3
74.16908	0.1
78.57343	0.2
132.64398	0.2
183.34163	0.2
274.31134	0.2
407.33038	1.4
455.35373	100.0
456.35693	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	455.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
67.11878	0.2
69.53713	0.7
69.54125	2.1
71.71383	0.3
75.30132	0.3
123.35325	0.3
155.41960	0.3
166.05882	0.3
244.72729	0.3
276.93530	0.3
390.42996	0.3
455.35400	100.0
456.35760	13.5
473.00470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3543
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01248	0.2
60.27618	0.2
70.02654	0.2
71.57712	0.2
80.37592	0.2
94.05180	0.1
99.25030	0.1
136.22438	0.2
140.48627	0.2
161.47127	0.2
259.67841	0.1
455.35413	100.0
456.35748	14.6
456.42401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70900	0.1
59.01255	0.8
61.71793	0.1
71.14094	0.3
87.47215	0.2
120.79359	0.1
164.80562	0.2
263.03760	0.2
383.29675	0.6
393.31625	0.5
411.32785	1.6
412.33014	0.3
455.35458	100.0
456.35812	14.5
456.42499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
56.93378	0.4
57.03335	1.1
58.00476	3.7
59.01262	69.3
60.01601	0.7
64.28422	0.4
67.01767	0.4
69.03342	7.9
71.01266	71.2
72.01592	1.0
72.99192	3.7
73.02833	10.8
75.00758	2.8
79.01781	0.5
81.03347	4.9
83.01278	4.8
85.02839	8.3
87.00801	2.0
89.02334	100.0
90.02671	1.1
95.01289	3.0
97.02852	12.6
99.00775	16.9
99.04423	2.6
101.02342	16.0
107.01280	0.6
109.02862	0.5
111.00789	1.5
113.01631	0.5
113.02352	7.4
115.03918	8.5
119.03423	2.1
121.02892	1.0
125.02366	47.6
126.02722	0.6
127.03905	2.0
131.03416	12.7
135.04420	0.8
140.73956	0.4
143.03421	3.5
147.04471	0.8
148.05234	61.0
149.04501	15.2
149.05603	2.2
161.04491	3.3
163.03966	2.2
163.07588	17.0
164.07867	0.5
173.04512	1.1
175.06009	0.8
191.05563	8.3
215.05510	0.6
233.06676	37.7
234.07034	1.6
261.39801	0.4
262.95236	0.4
293.08835	32.1
294.09213	1.6
356.70432	0.5
457.21075	1.7
458.14099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43139	0.5
65.80032	0.5
69.31044	0.5
70.06396	2.0
92.72532	0.4
96.66655	0.5
98.20506	1.0
99.92488	4.0
100.93274	2.4
112.56299	0.5
115.91983	100.0
116.91994	3.9
116.92776	5.3
132.92284	1.1
135.96938	0.6
136.50246	0.5
152.58852	0.6
162.33022	0.5
172.95457	5.5
184.48254	0.5
193.34386	0.5
206.73190	0.6
222.80321	0.6
243.22359	0.5
262.91013	0.5
283.26666	0.5
305.76334	0.6
399.17987	0.7
409.20770	0.6
457.22708	5.6
458.22842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.6
57.03344	0.6
57.90364	0.4
58.00486	0.6
59.01264	100.0
60.01608	1.1
60.31197	0.5
61.41251	0.4
61.98708	2.4
69.03350	1.8
69.29214	4.7
71.01270	26.6
71.04906	10.4
72.69088	0.5
72.99203	1.7
73.02835	21.5
74.03176	0.4
75.00784	1.1
81.03362	0.5
83.01275	7.6
83.04933	0.7
85.02841	4.7
87.00768	1.7
89.02332	8.6
93.03387	0.6
95.01300	0.9
96.95919	0.6
97.06502	0.9
98.72446	0.5
98.99037	0.7
99.00799	1.0
101.02344	23.7
113.02366	9.5
117.97183	0.5
119.03432	3.6
119.04923	1.0
123.04443	0.7
125.02386	1.3
131.03444	1.7
134.03674	0.8
135.02975	0.8
135.98302	1.3
143.03410	2.6
147.93304	0.4
149.04520	2.1
161.02576	0.6
161.04497	4.6
163.03944	1.1
167.03505	2.0
175.29134	0.4
179.05626	1.3
187.66649	0.5
193.05162	0.8
207.04968	0.6
226.94511	0.5
241.51607	0.5
255.17470	0.5
289.19687	0.8
295.15665	0.8
304.22592	0.4
305.19583	0.6
305.22980	1.5
325.16867	0.8
329.09003	0.6
391.30200	3.6
392.30350	0.7
397.22311	0.7
405.28122	2.9
407.29901	0.8
409.31635	0.8
415.23477	0.8
423.29132	4.6
425.30899	2.1
441.30246	0.6
457.20746	9.6
457.33499	11.8
458.21408	1.2
458.34076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38083	0.2
55.01773	0.4
57.03342	0.6
58.00481	0.7
59.01265	100.0
60.01595	0.9
60.14422	0.2
61.98730	1.0
69.03345	0.9
69.35059	1.9
71.01271	24.7
71.04909	0.3
72.01607	0.3
72.99197	1.4
73.02837	14.5
75.00766	0.4
83.01276	3.8
83.04922	1.9
85.02851	3.9
87.00776	1.2
88.01234	0.2
89.02338	19.1
92.45504	0.2
95.01281	1.0
97.02861	0.5
99.00787	0.5
101.02350	18.0
102.02713	0.4
113.02355	11.7
119.03419	7.1
119.04250	0.3
119.04871	0.3
125.02400	1.1
131.03418	2.1
132.39935	0.2
133.54010	0.2
135.02914	0.3
135.98308	0.5
137.02477	0.2
143.03436	2.1
149.04512	1.8
155.03473	0.4
161.04517	3.4
163.07664	0.3
179.05560	2.3
196.49596	0.2
203.05634	0.3
221.06865	0.2
253.18340	0.2
305.23090	0.3
391.30334	0.3
397.22757	0.4
429.30261	2.7
457.20480	0.8
457.33524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
55.09685	0.2
57.03326	0.4
58.00478	0.9
59.01264	100.0
60.01598	0.8
61.98721	1.1
62.64650	0.2
63.83646	0.3
69.03349	0.4
69.35205	0.3
69.35548	2.7
71.01269	25.7
71.04929	0.5
72.01604	0.3
72.99200	1.6
73.02835	14.9
75.00780	0.4
83.01280	3.9
83.04912	1.9
84.57434	0.3
85.02841	4.0
87.00785	1.0
89.02337	19.3
95.01270	1.2
96.95900	0.3
97.02873	0.4
99.00771	0.4
101.02345	19.1
102.02728	0.3
113.02357	11.5
119.03413	7.2
125.02380	1.1
131.03423	2.7
135.02937	0.3
135.98328	0.4
143.03416	1.6
149.04507	1.7
155.48518	0.3
161.04488	4.1
163.03871	0.3
179.05576	2.5
186.61234	0.3
208.90051	0.2
235.13432	0.5
397.22501	0.3
429.30099	2.1
446.64612	0.3
456.66537	0.3
457.20908	0.9
457.34201	1.3
464.34512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.7
59.01262	8.1
61.98713	0.4
63.04264	0.3
98.20659	0.6
126.75692	0.3
134.00111	0.3
179.30238	0.3
185.61447	0.3
188.72289	0.3
210.75362	0.3
230.39273	0.5
237.22935	0.3
242.01537	0.3
277.21722	1.0
355.26422	0.8
395.29413	0.5
397.27515	26.9
398.27734	2.8
413.30676	14.8
414.30981	2.3
439.28549	5.5
440.28864	1.0
457.29639	100.0
458.29980	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	1.3
61.98706	0.5
71.24862	0.6
73.02831	0.4
74.57104	0.2
76.55038	0.2
89.39924	0.2
96.95921	0.5
112.19332	0.2
164.89645	0.2
168.83670	0.2
170.34421	0.2
217.00256	0.3
371.95685	0.2
377.24954	0.3
379.26093	0.2
392.27368	0.4
393.27798	0.3
395.29294	0.5
413.30707	0.9
415.28168	0.2
439.28528	0.3
457.29651	100.0
458.30002	11.3
470.21149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2969
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
59.01247	0.6
60.19547	0.1
61.98709	0.4
68.89757	0.1
71.16003	0.3
72.86796	0.1
73.02827	0.5
88.02302	0.1
113.25920	0.1
152.50316	0.1
212.67018	0.1
217.00392	0.2
232.45403	0.1
242.31194	0.1
242.85405	0.2
329.95087	0.1
366.57523	0.1
377.24823	0.3
392.27280	0.3
395.29535	0.9
403.04153	0.2
411.29202	0.3
413.30618	1.5
414.31314	0.2
457.29648	100.0
458.29977	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01255	0.7
61.98682	0.2
62.72565	0.3
66.44482	0.2
83.46351	0.2
84.39649	0.2
94.06390	0.2
109.04510	0.2
117.81949	0.2
206.74168	0.2
291.58578	0.3
316.39389	0.2
457.33301	100.0
458.33643	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3335
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.27605	0.1
53.15709	0.2
59.01265	3.7
61.98706	0.3
70.73922	0.5
173.38293	0.1
187.85495	0.1
199.67467	0.1
204.41615	0.1
209.75478	0.2
217.00226	0.3
236.88284	0.2
297.24432	1.0
299.82211	0.2
339.25461	1.0
356.57211	0.2
374.99615	0.2
393.31998	0.2
457.33325	100.0
458.33670	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3332
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.09415	0.3
59.01250	1.2
60.00795	3.0
68.44855	0.3
70.09016	0.6
70.09425	1.1
71.16521	0.3
71.36754	0.4
74.92971	0.4
106.05615	0.3
120.75060	0.3
125.88042	0.3
188.29742	0.3
217.00331	0.5
328.19003	0.4
337.21771	5.3
368.53363	0.4
374.99091	0.4
413.34305	9.0
413.39847	0.4
414.34451	1.5
439.32391	2.3
457.33292	100.0
458.23444	0.9
458.33609	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	459.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53032	1.6
59.01270	10.6
65.54890	1.5
69.19141	1.3
69.47071	6.2
69.47494	6.9
71.01261	4.0
72.99211	3.4
73.02852	1.7
75.00762	32.6
79.83310	1.4
82.43482	1.6
87.39848	1.6
89.02327	7.3
96.95902	2.6
101.02325	1.9
109.02875	2.7
117.01839	3.1
117.03396	1.9
125.02352	3.2
133.02861	10.8
134.03587	2.2
135.02913	100.0
135.04440	82.8
136.03227	2.2
136.04803	2.4
145.17328	1.8
151.03986	5.4
160.01588	2.9
161.02386	75.3
162.02684	3.6
179.03456	94.8
180.03830	3.1
181.04982	1.6
297.05945	7.7
323.07761	50.7
324.08163	2.9
341.05035	3.2
341.08871	52.1
342.09311	2.7
459.04910	3.7
459.11520	50.2
460.11624	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41607	0.6
59.01260	2.4
63.14072	0.7
64.92700	0.7
69.88461	3.2
71.01258	1.2
72.99174	0.8
75.00767	8.4
88.98704	0.7
89.02337	2.2
123.04460	0.8
133.02844	1.7
134.03648	1.1
135.02910	38.9
135.04428	82.9
136.03242	0.8
136.04750	3.0
153.01933	1.0
160.01555	1.2
161.02371	18.3
162.02657	0.9
179.03450	100.0
180.03780	3.5
208.99139	1.0
289.79504	0.7
297.06100	6.8
312.82657	0.9
323.07748	17.0
324.08090	1.3
341.08853	26.8
342.09241	1.7
371.04382	1.4
459.11526	48.9
460.11896	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	459.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.3
61.85520	1.0
71.01277	2.6
73.02837	49.5
75.00764	3.2
77.29367	1.1
89.02327	5.9
99.00768	4.1
99.92467	1.8
101.02364	2.2
108.93610	1.0
113.02329	1.6
116.92770	22.8
117.01849	100.0
118.02163	1.6
119.03351	1.6
135.02937	10.8
135.04445	22.4
161.02412	6.2
161.04361	0.9
173.72943	0.8
179.03453	24.3
180.03963	1.2
267.06958	1.3
323.07977	2.1
341.08545	1.6
341.11389	2.2
446.30801	1.2
459.11646	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	459.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42190	0.8
54.46284	0.8
55.08722	0.9
59.01252	1.8
69.94087	4.5
73.02831	43.6
75.00773	2.6
78.88833	0.9
85.02880	0.9
92.95893	7.6
99.00773	5.5
116.92775	13.7
116.95918	1.5
117.01844	100.0
117.92823	1.2
118.02203	1.2
134.44267	1.0
135.02914	7.4
135.04440	16.5
161.02428	3.0
176.98022	1.6
179.03447	20.0
217.09477	1.0
237.00165	1.4
297.06219	1.4
323.07785	2.6
341.08893	3.3
399.05515	2.2
459.11407	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	459.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45612	0.1
55.01751	0.5
57.03329	0.7
58.00474	0.2
59.01262	16.0
61.98708	0.8
68.64398	0.2
69.03336	2.5
70.35442	0.2
71.01268	6.4
71.04900	0.7
71.58036	0.2
72.98812	0.2
72.99191	0.7
73.02834	1.2
81.03310	0.2
83.01283	0.8
83.04908	0.6
85.02840	2.2
85.06469	0.5
87.00779	1.0
89.02335	6.0
93.03358	0.3
95.01275	0.5
95.04903	0.4
97.02837	0.2
97.06460	0.2
99.00760	0.7
101.02341	6.4
108.05733	0.2
109.06503	0.7
110.94843	0.1
111.08042	0.2
113.02345	2.9
119.03423	1.6
125.02415	0.2
125.09608	0.4
128.55505	0.1
131.03424	0.9
135.04462	0.3
135.11684	0.4
143.03436	0.5
149.04503	0.9
149.09637	0.6
153.09128	0.2
161.04497	2.6
161.09697	1.1
161.13316	0.4
162.03407	0.1
167.10741	2.8
168.11064	0.2
177.12747	0.3
179.05573	0.9
179.10744	1.1
179.14368	3.0
180.14569	0.2
191.05537	0.3
193.12346	0.3
195.13882	10.0
196.14204	0.5
205.12321	8.7
206.12733	0.6
223.13394	100.0
224.13734	6.0
233.43552	0.1
235.08205	0.6
237.14894	0.3
253.09325	17.1
254.09760	0.8
317.10687	0.1
327.18146	0.3
399.23981	0.5
423.22354	0.3
459.22446	6.2
459.29965	0.3
459.31247	0.4
460.22690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64932	0.1
54.16534	0.1
54.27835	0.2
55.01761	0.4
57.03326	0.7
58.00487	0.3
59.01262	18.2
60.01593	0.2
60.97939	0.1
61.98699	0.5
62.58506	0.1
64.32876	0.1
69.03340	2.0
71.01268	7.2
71.04904	1.0
71.58918	0.2
72.99199	0.5
73.02831	1.9
75.00761	0.2
80.02567	0.2
81.03323	0.3
82.36906	0.1
83.01278	0.9
83.04916	0.4
85.02839	1.8
85.06492	0.5
87.00768	0.7
89.02332	6.7
91.03886	0.2
93.03347	0.4
95.01295	0.7
95.04919	0.5
96.11263	0.2
97.02879	0.2
97.06509	0.4
99.00775	0.9
101.02341	6.7
101.03012	0.3
102.02657	0.2
109.06487	0.7
110.38304	0.1
110.75916	0.2
111.08034	0.3
113.02352	3.2
114.02668	0.2
119.03409	1.9
120.05686	0.2
125.02368	0.6
125.09648	0.4
131.03418	1.1
135.02904	0.2
135.04419	0.4
135.11739	0.3
141.09132	0.2
143.03406	0.6
149.04497	1.3
149.09666	0.6
149.52147	0.2
151.11069	0.2
153.00677	0.2
153.09087	0.2
161.03203	0.2
161.04475	2.6
161.09657	4.1
161.13290	0.4
167.10716	3.0
168.10973	0.2
171.25938	0.1
177.12776	0.7
179.05521	0.7
179.10777	1.2
179.14369	3.6
191.05455	0.4
193.12363	0.7
195.13870	10.5
196.14221	0.5
205.12314	9.8
206.12611	0.7
223.13388	100.0
224.13725	6.0
235.08246	0.7
237.11349	0.2
244.11934	0.2
253.09314	17.7
254.09596	0.8
327.18250	0.3
399.24048	0.7
423.22089	0.2
459.22403	7.2
460.22659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24797	0.5
57.03341	0.8
59.01262	100.0
59.75702	0.4
60.01591	1.0
61.37602	0.4
61.98717	1.6
63.09051	0.4
69.03341	0.6
71.01272	5.1
71.56110	0.5
71.56493	0.5
73.02845	0.4
83.01275	0.5
83.04926	1.0
85.02858	1.7
89.02324	5.3
91.03905	1.1
95.01308	0.5
97.06521	0.6
99.04472	0.8
101.02314	2.9
108.02102	0.5
111.08184	0.5
113.02349	2.2
113.52930	0.5
119.03410	2.4
125.02385	0.7
125.09679	1.0
127.07597	3.1
135.08101	0.6
139.07597	1.0
143.03378	0.7
151.00340	0.5
153.09161	3.8
155.10683	0.8
161.04573	1.1
163.11308	1.0
171.10223	0.9
179.05571	1.1
185.11813	3.7
191.10887	0.6
197.11786	2.7
209.11833	13.2
209.13812	0.8
210.12263	0.8
238.12199	1.1
245.19244	1.4
289.18106	5.3
297.20932	0.6
307.19196	27.9
308.19708	2.2
312.02930	0.7
312.15854	5.9
313.03711	1.7
325.20261	18.5
326.20663	1.6
381.22931	5.9
399.23892	3.8
458.67148	0.5
459.17020	0.7
459.35745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70348	0.4
57.03336	1.3
59.01263	100.0
60.01598	1.0
60.65516	0.4
61.98723	4.4
62.17321	0.4
70.73327	1.1
71.01269	7.5
72.99204	0.6
73.02841	1.7
83.01289	0.9
85.02836	2.1
87.00761	0.9
89.02337	7.7
89.02840	0.6
95.01283	0.6
99.00798	0.8
99.04433	0.5
101.02340	6.0
113.02342	3.2
119.03415	3.6
125.02356	0.8
131.03439	0.6
135.02876	0.5
143.03494	1.2
149.04630	0.6
151.00305	0.4
152.99571	0.5
159.03105	0.4
161.04500	2.7
179.05612	1.3
205.12480	0.4
209.11902	0.4
237.15053	1.5
272.53839	0.4
313.50095	0.4
399.23987	5.6
400.24512	0.8
425.30426	0.5
429.58664	0.4
459.23007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03330	1.2
58.00476	0.1
59.01262	100.0
60.01600	1.0
61.98717	0.7
65.00218	0.2
69.03353	0.4
71.01265	7.5
71.57104	0.2
72.01637	0.1
72.99218	0.3
73.02834	1.9
74.02366	0.3
75.00767	0.3
81.03356	0.2
83.01268	1.3
85.02841	3.8
85.23396	0.1
86.03223	0.1
87.00783	0.4
87.04395	0.9
89.02325	1.8
95.01268	0.9
97.02868	0.3
99.00770	1.1
99.29943	0.1
101.02340	3.8
105.56420	0.1
106.04179	0.1
108.02053	0.2
109.02866	0.1
113.02351	6.5
116.92787	0.2
119.03429	0.5
121.02869	3.3
123.04414	0.7
125.02358	3.3
135.02884	0.2
135.04463	0.5
137.02391	0.2
143.03435	0.5
147.04478	0.4
149.02394	0.2
151.00302	0.6
152.01137	0.5
153.01895	0.3
159.02995	0.5
161.04494	3.1
167.03447	1.9
167.04721	0.2
178.99846	0.5
179.03491	0.1
179.05632	0.2
190.02850	0.1
191.03474	9.3
192.03870	0.4
203.05399	0.1
209.04538	0.2
233.04053	0.4
245.03986	0.2
255.19781	0.3
261.03482	0.4
289.03421	0.2
297.07733	3.5
298.08154	0.4
340.02829	0.2
399.23950	7.5
400.24283	0.9
409.94824	0.1
415.06091	0.2
417.24985	3.1
417.30081	0.2
418.25372	0.4
431.05728	0.2
459.05179	1.4
459.12817	0.9
459.26508	0.4
460.05792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40250	0.3
57.03338	0.5
58.00484	0.5
58.02502	0.3
59.01264	100.0
60.01609	0.6
61.98722	2.3
66.20396	0.3
67.07735	0.3
69.03342	1.1
69.28107	1.3
69.28528	1.9
70.53134	0.3
71.01268	8.7
71.04901	0.4
72.99225	0.5
73.02840	1.5
75.00773	0.5
76.05531	0.3
76.38383	0.3
77.12270	0.3
83.01283	0.9
83.04916	0.4
85.02872	2.0
87.00780	0.6
89.02337	11.0
92.22370	0.3
95.01270	0.5
99.00769	0.8
101.02342	6.4
113.02350	3.4
116.92764	0.4
119.03398	3.5
125.02310	0.8
125.09628	0.3
131.03415	1.5
135.02930	0.5
135.04466	0.8
143.03445	1.4
149.04507	1.1
151.00305	0.4
161.04466	2.8
161.09718	1.5
165.12801	0.7
167.10748	1.4
177.01863	1.0
179.03343	0.4
179.05588	2.0
179.10811	0.6
179.14374	1.1
191.05595	0.5
195.13902	4.2
197.59547	0.3
205.12340	4.2
206.12657	0.4
211.07597	0.4
223.13400	42.8
224.13766	2.2
237.11339	0.7
253.09332	8.2
327.18399	0.4
399.23972	1.4
423.22214	0.4
459.22223	5.3
459.35181	0.7
460.22739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2915
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.96529	0.7
69.92402	2.7
73.99419	0.7
77.82876	0.6
98.19872	1.0
107.04929	31.2
108.05265	0.7
130.11890	0.6
131.70102	0.9
152.99380	0.7
163.11226	100.0
164.11571	4.7
173.21341	0.7
274.00696	0.7
276.03732	0.6
277.21738	1.0
283.17108	25.9
284.17447	2.3
295.17050	14.4
296.17542	1.1
459.29126	98.9
460.29449	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	461.11
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
59.01253	0.7
65.00197	0.4
69.92178	1.8
69.92538	0.5
75.34902	0.3
86.83746	0.4
91.51843	0.3
107.01286	1.2
125.02364	0.5
127.90388	0.3
148.01607	0.4
151.00301	3.0
153.01897	0.5
157.02855	0.3
163.00337	0.4
171.04428	0.8
173.02335	0.3
175.03987	0.5
183.04483	0.5
187.03922	0.3
199.03995	5.1
201.01874	1.3
203.03505	1.3
215.03513	4.2
225.01875	0.7
226.02672	1.0
227.03487	5.4
229.01382	0.7
239.03333	0.3
242.02208	10.4
243.03000	44.7
244.03369	2.4
255.03014	4.3
256.03668	0.5
257.01831	0.6
257.04578	11.9
258.04947	0.7
270.01730	11.7
271.02515	49.5
272.02960	3.3
285.04092	21.4
286.04788	7.3
287.02100	0.5
287.05206	0.7
299.01984	14.7
300.02783	11.5
301.03229	0.5
314.04376	53.2
315.05112	33.3
316.05508	2.0
346.31808	0.3
357.06265	0.9
428.55240	0.3
429.49612	0.3
461.10980	100.0
462.11334	10.8
469.92557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.1
57.03333	2.5
59.01262	71.6
61.40147	1.1
65.00195	2.1
69.65187	7.8
71.01266	41.0
73.02840	13.5
75.00745	2.3
83.01265	8.2
85.02839	21.4
87.00774	1.6
89.02334	6.1
92.56905	1.1
95.01283	1.9
96.95885	1.3
97.02859	1.8
99.00780	8.5
101.02340	44.4
107.01270	1.2
113.02351	21.8
121.50790	1.1
125.02377	2.5
129.01889	1.6
131.02477	2.0
131.03427	27.4
132.03687	1.6
135.02917	3.4
135.04410	2.8
143.03378	3.7
151.00298	4.1
159.02916	3.5
161.04501	26.5
179.03371	1.4
199.03961	2.5
221.11829	4.0
227.03424	2.4
241.01456	2.4
242.02251	2.9
243.03029	3.7
245.00861	1.6
254.02289	3.3
255.03021	3.6
255.10199	1.4
269.10355	100.0
270.01752	3.4
270.10669	6.4
271.02539	24.3
298.98724	2.0
299.02039	37.7
300.02292	1.2
307.22122	1.0
315.01462	2.5
387.65421	1.5
389.04904	2.0
401.14508	25.7
402.14929	1.5
461.07211	12.5
462.08090	17.3
483.43442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09512	1.9
57.03326	2.0
58.00473	2.8
59.01266	99.8
60.51432	1.9
65.03825	2.6
65.05757	1.8
71.01270	59.5
71.05455	4.0
71.05769	1.9
72.99178	6.1
73.02834	5.1
74.04867	2.1
75.00780	2.7
76.29195	2.0
85.02850	12.2
87.00768	6.8
89.02335	100.0
95.01269	4.4
96.95930	2.7
101.02354	42.1
109.02855	27.7
113.02354	29.0
119.03415	44.1
124.67537	2.1
125.02344	8.8
131.03450	6.7
135.02895	7.1
135.04437	4.4
137.02399	2.3
143.03413	11.1
149.04443	4.1
151.07491	2.6
153.01883	36.0
153.09109	3.0
158.57538	2.2
161.02364	3.2
161.04538	10.2
175.02428	5.7
179.03444	4.9
179.05591	24.9
203.10735	6.7
206.09459	4.6
221.11821	18.2
221.24132	1.8
239.12894	7.0
255.10251	2.8
320.32724	2.2
401.18192	38.8
402.18784	2.2
461.12961	21.8
461.18832	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.8
62.27685	0.4
66.26031	0.4
66.66823	0.3
71.56474	0.4
78.95795	8.7
83.04922	0.4
101.53408	0.4
104.97336	0.5
110.98428	7.1
111.08054	0.7
113.09598	0.5
121.10136	0.4
151.00281	0.8
152.99516	1.4
167.01126	3.1
167.10786	0.5
171.10216	0.4
179.14351	1.2
181.12292	0.5
185.02156	7.2
187.03952	0.4
195.13881	8.9
196.14415	0.5
203.03450	1.1
205.12323	0.9
207.10294	0.6
211.13364	0.6
223.13387	7.5
223.15236	0.3
223.24886	0.4
224.13777	0.9
228.13702	0.8
231.21202	0.6
239.12921	0.4
241.01402	0.8
243.02840	0.5
245.00755	0.5
249.22035	0.4
256.13101	2.0
259.02521	1.1
270.01712	0.8
271.02557	1.0
275.20227	5.0
287.01889	2.0
293.21286	100.0
294.21616	6.5
299.01999	0.6
315.01559	5.7
317.03082	0.5
392.16171	0.7
461.08109	1.9
461.23221	25.8
462.23453	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	461.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87929	0.3
54.62177	0.4
56.87838	0.4
59.01264	100.0
60.01593	0.7
70.74100	1.2
71.01299	0.5
91.03892	0.5
111.31388	0.4
136.55070	0.4
137.50038	0.4
143.01149	0.5
152.99513	0.6
163.07582	0.5
219.29500	0.4
225.46024	0.4
270.01517	0.4
279.23474	0.5
298.01230	0.4
315.01767	0.7
327.29230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.55878	1.3
65.00196	3.0
67.11322	1.5
69.58013	4.7
69.58437	7.0
78.73312	1.4
95.01263	3.2
98.20530	2.6
107.01284	1.9
109.02857	5.9
109.99992	3.3
111.00761	3.8
123.00810	3.8
124.01582	4.0
133.02901	2.1
137.02370	2.4
137.99431	2.0
139.00266	3.9
146.03708	1.7
148.01608	2.0
149.02303	2.1
151.00311	12.9
152.01018	4.9
153.01836	2.5
153.23795	1.4
161.02356	1.8
163.00317	4.2
164.01089	2.0
165.99014	3.8
166.99803	2.7
171.04430	2.2
174.03175	1.9
175.03961	1.5
178.99814	8.1
187.03931	3.1
198.71494	1.3
199.03905	4.7
201.05539	2.6
203.03455	2.9
214.02618	3.5
215.03485	2.3
227.03458	6.7
231.02899	4.3
239.68703	1.5
241.01392	2.4
242.02200	3.3
243.02960	9.2
245.04440	2.8
255.03030	7.2
259.02380	2.6
270.01746	4.8
271.02539	42.3
272.03107	8.7
273.04144	8.9
287.02103	9.8
288.02667	5.6
299.02032	35.9
300.02563	3.1
301.03574	2.1
316.02267	45.9
317.03027	59.2
318.03534	2.4
337.30609	1.5
445.07736	3.1
463.08881	100.0
464.09341	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.2
63.02297	0.3
65.00201	0.6
71.01254	0.2
83.01261	0.4
85.88567	0.1
89.02339	0.2
98.19749	0.3
100.82452	0.1
107.01289	2.1
109.02850	0.8
123.00812	0.2
124.01565	2.3
125.02396	0.7
135.00833	0.4
135.55522	0.1
136.01590	0.4
137.02376	2.6
140.01083	0.1
148.01602	0.4
151.00299	6.0
152.01100	0.7
155.03419	0.1
158.03702	0.2
161.02475	0.2
163.00307	1.4
164.01085	1.9
165.01907	0.5
169.01373	0.5
170.03728	0.2
171.04465	0.2
175.03928	0.3
175.90938	0.1
177.01826	0.2
178.99815	6.9
180.00119	0.3
185.02400	0.2
187.03931	0.3
188.04778	0.2
189.01849	0.2
190.99699	0.2
192.00601	0.6
193.01414	0.3
199.03990	0.6
203.03450	0.8
204.04253	0.8
213.01884	0.2
214.02696	5.8
215.03435	0.8
216.04053	0.2
217.01353	0.2
217.04935	0.2
227.03555	1.1
230.26497	0.2
231.03012	0.6
232.03661	0.5
236.03241	0.2
242.02205	4.7
243.02983	3.5
244.03593	0.4
245.04443	0.3
259.02502	6.2
260.02814	0.5
261.04028	0.4
269.01016	0.2
270.01752	5.5
270.04666	0.3
271.02515	34.0
272.02887	2.5
287.02020	19.5
288.02527	2.4
289.03635	0.2
299.02023	0.5
300.02725	0.1
301.03644	0.1
315.01483	0.9
316.02277	88.4
317.02939	22.8
318.03467	1.1
359.03928	0.2
463.08884	100.0
464.09210	10.0
464.16055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00215	0.5
70.33353	1.0
74.02093	0.2
103.82417	0.3
107.01299	1.3
108.02062	0.4
109.02843	0.7
117.27194	0.2
121.02889	1.3
125.02383	0.3
135.00804	0.3
148.01595	0.7
151.00304	9.4
151.01537	0.5
163.00314	1.7
164.01140	0.3
169.01337	0.4
178.99796	6.0
187.03941	0.3
190.99821	0.5
196.92392	0.3
211.04051	0.7
215.03351	0.5
216.04285	0.4
220.32074	0.3
226.02687	1.1
227.03560	1.8
229.05008	0.6
239.03429	0.5
243.03004	5.9
244.03568	0.6
245.04671	0.5
254.02205	2.4
255.03011	16.2
256.03409	0.8
271.02524	34.3
272.03015	3.1
273.04068	1.1
283.02542	1.1
299.02008	1.2
300.02802	100.0
301.03540	35.7
302.03992	1.6
316.02048	1.2
343.04587	0.4
463.08911	34.7
464.09326	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0894
Annotation	Isohyperoside
Peak:m/z	Relative Intensity
54.85003	0.9
57.03322	1.5
59.00994	1.2
59.01263	15.8
59.37127	0.7
61.98699	1.6
70.07532	3.6
71.01262	18.4
72.99191	2.6
73.02824	1.8
75.00769	3.1
83.01286	1.1
84.95406	0.8
85.02844	2.7
87.00761	22.3
89.02335	4.6
101.02350	3.6
107.01314	1.1
109.02834	2.3
112.98717	0.8
113.02348	3.0
115.00282	44.3
116.00626	0.8
119.03394	2.0
120.99571	0.8
121.02872	1.5
123.04463	1.4
123.49926	0.7
125.02361	13.3
126.52018	0.7
127.00336	1.0
133.02835	1.0
135.02898	5.2
137.02368	2.3
139.03944	0.7
143.03406	0.9
148.01700	0.8
149.02368	2.6
150.36140	0.7
151.00325	3.3
151.03972	1.1
161.02382	2.2
161.04492	2.7
163.00304	1.0
165.01846	2.9
167.03363	0.8
174.01617	1.2
175.02435	100.0
176.01360	0.9
176.02789	2.6
177.01912	4.4
178.02713	1.4
178.99866	1.2
179.03464	2.7
179.05646	1.0
193.01456	0.8
195.02951	1.3
202.99886	2.6
204.00595	1.5
205.01328	2.0
209.08199	0.9
212.04950	0.8
212.06891	1.0
227.09277	2.5
241.14526	1.3
283.06067	1.2
285.04224	0.9
287.05685	1.6
289.07272	2.7
300.02899	0.8
301.03653	2.7
323.04056	0.7
327.05164	15.5
328.05453	1.5
345.06293	3.2
355.04602	1.5
368.58221	0.8
463.08887	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57749	0.5
56.45003	0.4
58.90980	0.4
59.01262	6.1
61.98714	100.0
71.01270	2.8
71.56754	0.6
75.00781	0.6
85.02859	1.2
89.02335	3.1
96.95908	0.7
101.02355	1.2
109.02843	0.5
109.70026	0.5
113.02334	1.4
119.03403	1.0
119.08356	0.5
125.02414	1.0
125.09648	1.6
135.04459	0.8
137.02371	0.7
149.09525	0.5
151.00287	0.6
163.03885	0.8
172.60374	0.5
177.01944	0.5
179.05531	0.8
182.04048	0.7
183.04355	1.0
201.20099	0.5
212.05096	1.2
213.05566	1.2
284.11176	0.8
303.05206	1.0
375.11353	0.7
376.11588	4.2
377.11514	0.8
404.15439	1.2
405.21191	3.2
464.13373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	5.1
59.01260	6.3
63.02262	0.8
65.00210	2.6
70.15810	1.5
70.16211	1.4
71.01272	2.0
81.03349	0.9
83.01265	5.1
87.13129	0.7
89.02346	3.3
95.01272	1.0
101.02338	1.2
107.01284	6.2
109.02863	5.1
111.00742	0.7
113.02369	1.0
119.03423	1.6
121.02895	2.0
123.04442	3.5
124.01609	2.1
125.02361	100.0
126.02714	2.8
137.02380	3.7
139.03920	2.8
147.04434	1.1
149.02373	14.3
151.00304	29.2
151.03958	2.9
152.01025	3.0
153.01866	27.0
154.02179	0.9
159.44916	0.7
161.02379	1.6
163.03952	0.9
165.01849	1.4
166.02684	0.8
167.03439	2.3
169.01385	0.9
173.02432	0.7
173.06030	0.9
174.03183	1.7
175.00331	5.6
175.03952	10.8
176.01079	1.0
177.01874	18.9
178.98221	1.0
178.99809	20.9
179.03363	0.9
179.05672	1.1
180.00157	2.0
181.01389	14.0
188.04723	2.2
189.05536	4.8
191.03441	2.5
193.01469	0.8
195.03072	3.4
199.03981	5.1
201.01920	2.4
205.01244	1.4
207.03006	0.7
213.05562	0.9
216.04370	1.1
217.05026	6.5
231.06577	1.3
239.03256	0.8
240.04266	1.0
241.05086	5.2
243.02930	0.7
256.03864	1.1
257.04602	1.0
259.06039	4.7
275.05667	23.0
275.08649	1.4
276.06027	1.1
284.03378	1.1
285.04102	46.8
286.04398	3.2
299.05661	5.4
303.05148	66.8
304.05573	4.7
313.05737	1.4
327.05234	1.4
329.06412	0.8
341.05176	5.9
343.06680	4.7
405.21552	3.8
437.11087	0.9
447.09308	2.8
465.10495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1047
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
50.58049	0.3
57.03334	1.6
58.00463	0.3
59.01262	4.7
61.98718	0.9
63.02293	0.9
65.00205	13.4
66.00541	0.3
69.64149	2.0
71.01271	3.0
73.02834	0.8
75.00754	0.5
78.91777	0.6
81.03357	0.4
82.00713	0.3
83.01272	6.4
83.65669	0.3
85.02847	1.2
87.00781	0.4
89.02330	2.5
90.69337	0.3
93.03372	0.8
95.01289	0.7
95.04940	0.3
96.95895	0.7
99.00765	1.2
101.02342	2.4
105.03381	0.5
107.01292	18.9
108.02121	0.4
109.02858	1.2
113.02355	1.3
119.03416	1.4
121.02865	1.0
122.03654	0.4
123.00837	0.5
123.04433	8.0
124.01579	1.0
125.01449	0.5
125.02364	10.3
126.02725	0.4
133.02873	3.4
135.04430	2.9
137.02374	1.9
139.00264	0.5
139.03891	0.4
141.01907	0.5
143.03412	0.3
147.04396	0.5
149.02373	1.7
150.03162	7.5
151.00302	100.0
151.03926	23.0
152.00999	4.7
152.04297	0.8
153.01903	0.7
155.05016	0.3
159.04460	0.3
161.02368	0.4
161.04469	0.6
165.01817	0.4
169.01367	4.0
169.06592	0.3
171.04518	0.7
175.03937	1.7
176.01019	0.7
177.01926	0.8
178.99812	6.4
179.03319	0.3
179.05574	0.3
181.02881	0.3
185.06055	0.8
189.05545	0.5
193.05057	0.4
198.03130	0.5
199.03912	2.1
201.01883	0.7
201.05519	0.3
211.04059	0.7
213.05573	0.9
215.03430	0.5
216.04269	0.4
217.05083	1.3
229.05109	0.7
229.07414	0.3
240.04144	0.4
241.05048	1.6
243.03116	0.4
244.07425	0.4
257.04550	1.2
258.05255	0.5
259.06049	0.4
267.02911	0.6
285.04092	59.4
286.04428	3.8
302.04233	1.1
303.05133	6.0
303.08768	2.9
313.09338	2.4
321.15564	3.3
325.77722	0.3
339.07245	3.5
383.61523	0.3
405.21344	2.4
447.09332	0.9
465.10413	24.3
465.20462	0.9
466.10638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1052
Annotation	Taxifolin 3-galactoside
Peak:m/z	Relative Intensity
52.25599	0.3
55.37713	0.2
57.03336	12.0
59.01265	7.7
60.01582	0.4
61.98724	1.5
63.02279	0.7
65.00201	4.0
67.01764	0.4
68.99709	0.4
69.03345	2.0
69.99282	0.3
71.01269	5.0
71.57079	0.4
72.99198	0.5
73.02833	1.2
75.00765	2.9
81.03336	0.8
83.01273	5.5
85.02850	2.0
87.00749	0.4
89.02329	4.3
93.03351	0.6
95.01284	4.5
96.95940	0.4
97.02849	0.5
99.00765	1.4
101.02345	2.6
102.02695	0.3
105.03345	0.3
107.01283	4.7
108.02103	0.8
109.02869	4.0
109.99992	0.3
111.00784	2.1
113.02346	2.0
114.08111	0.3
119.03394	0.8
119.04966	0.5
121.02862	1.9
122.03654	0.3
123.00806	2.2
123.04459	3.8
124.01590	7.1
125.02366	95.6
126.02686	2.8
131.03448	1.0
131.04961	0.3
133.02856	1.4
133.06537	0.3
135.00780	0.4
135.04427	1.8
137.02370	3.7
139.00320	0.9
139.03923	1.0
141.01855	0.5
143.03302	0.3
146.03650	0.4
147.04419	1.1
148.05266	0.3
149.02396	4.0
149.04437	1.9
150.03163	3.9
150.04823	0.6
151.00305	20.3
151.03944	8.2
152.01093	13.9
153.01884	6.5
155.10692	1.5
159.04437	0.6
160.05275	0.3
161.02386	0.6
161.04504	0.6
161.05975	0.7
163.00336	1.4
163.04007	0.5
165.01845	0.8
165.05516	0.8
166.02695	0.5
167.03465	0.4
168.00595	0.4
169.01372	1.2
171.04485	0.9
172.05266	0.5
173.05995	1.0
174.03203	1.4
175.03967	6.0
176.01080	2.3
177.01912	5.1
178.99812	9.4
179.03403	0.4
179.05554	0.6
180.00148	0.4
181.01398	0.9
185.00905	1.5
185.06036	0.7
187.03984	0.9
187.07646	0.5
188.04755	2.0
189.01854	0.4
189.05530	5.0
191.03479	2.1
191.05403	0.4
191.07115	0.7
193.05022	3.3
195.06633	0.7
197.06003	0.4
198.03207	0.4
199.03996	1.8
199.09709	0.4
201.01901	0.6
201.05606	0.4
202.02542	0.3
203.07150	0.9
211.04001	0.5
213.05576	1.3
215.03525	0.6
215.07159	1.3
215.11819	0.3
216.04279	1.2
217.05042	9.6
217.10847	1.3
219.02994	1.0
223.04034	0.3
226.07454	0.5
229.05092	0.7
229.08604	0.3
230.05800	0.6
231.06595	2.4
235.06194	0.8
239.03397	0.3
241.05119	2.2
241.09801	0.8
243.02963	0.7
257.04648	1.4
258.05334	0.7
259.06180	12.7
259.11914	1.0
259.50140	0.3
260.06497	0.7
267.02997	0.3
271.02435	0.4
274.04865	2.0
275.05667	8.4
276.06073	0.8
280.82941	0.3
284.03256	1.5
285.04108	29.8
285.09152	0.8
286.04446	1.8
287.02048	0.7
287.05600	0.3
288.02646	0.5
303.05151	11.7
304.05579	1.3
313.09033	0.3
317.02704	0.4
318.02805	0.6
332.01703	0.4
339.07346	0.4
361.15143	1.3
375.55524	0.3
405.21286	1.2
421.11505	2.1
421.17316	0.9
437.10962	19.1
438.11133	1.8
447.09418	8.6
448.09924	0.6
464.22473	1.5
465.10471	100.0
466.10791	9.9
466.17520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1046
Annotation	LMPK12140454
Peak:m/z	Relative Intensity
50.69502	0.6
52.45740	0.5
55.31831	0.5
57.03333	7.6
58.00490	0.5
59.01264	16.2
61.98703	1.3
65.00211	1.9
69.03340	0.9
71.01260	9.3
71.56890	0.8
73.02817	2.4
75.00763	1.0
81.03347	0.7
83.01268	5.2
85.02844	2.9
87.00770	1.1
89.02332	7.0
93.03376	0.8
95.01267	2.6
99.00784	2.5
101.02352	6.4
107.01302	3.6
109.02240	0.5
109.02845	2.5
111.00807	1.9
113.02353	4.9
115.07577	0.7
119.03406	3.0
119.04892	0.9
121.02872	1.2
122.03664	0.6
123.00790	2.0
123.04430	3.9
124.01565	3.7
125.02364	100.0
125.09617	2.9
126.02718	2.2
135.04468	1.2
137.02367	3.2
139.00296	1.0
139.03922	1.5
143.03438	1.2
143.04903	0.7
147.04475	0.9
149.02377	4.7
150.03174	2.9
150.99130	1.2
151.00305	14.8
151.03914	5.2
151.11209	1.6
152.01106	9.9
153.01875	12.5
159.04427	0.9
161.02361	1.8
161.04536	3.5
161.05824	0.8
163.00320	0.9
163.03995	0.6
165.01883	0.9
165.05473	0.9
169.01387	1.3
171.04474	1.5
173.02444	0.8
173.06000	1.2
174.03169	2.9
175.03960	19.8
176.04289	1.0
177.01889	25.7
178.02267	1.0
178.99812	16.7
179.05550	1.9
180.00136	0.8
181.01355	2.6
185.06009	0.7
188.04694	1.8
189.05545	4.9
191.03438	0.9
193.05002	1.4
195.13885	2.3
197.06137	1.1
199.03970	9.9
201.01930	2.2
213.05574	2.2
213.14912	2.8
215.03490	0.7
215.06972	0.8
216.04301	2.3
217.05038	13.3
219.03044	0.9
223.03970	0.7
225.14951	1.9
231.06602	2.4
241.05092	9.5
241.09970	1.0
242.02164	0.9
242.05591	0.6
243.02989	2.0
243.16002	3.1
257.04596	1.9
258.05310	0.6
259.06201	6.6
274.60828	0.5
275.05692	7.6
285.04105	79.7
285.12479	1.5
286.04443	4.5
303.05145	75.8
304.05463	5.3
321.15582	4.2
339.07339	0.8
387.20154	1.2
405.15903	1.0
405.21326	20.1
406.21536	0.7
437.00064	0.6
447.09479	1.6
447.17880	1.5
465.10446	80.6
466.10754	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	465.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	6.9
59.01264	21.9
65.00204	2.0
65.20560	1.3
71.01268	8.4
71.07243	1.8
81.03322	1.5
83.01281	2.3
85.02851	2.7
89.02326	10.5
89.06998	1.2
101.02323	4.6
107.01293	6.3
109.02838	4.7
113.02322	3.7
119.03389	4.7
121.02894	1.8
123.04449	3.4
125.02364	100.0
136.49886	1.4
137.02391	2.9
139.03899	3.0
147.04576	1.3
149.02386	14.8
149.67662	1.2
150.99165	1.6
151.00317	26.7
151.03905	2.7
152.56956	1.4
153.01881	24.4
154.02162	1.7
161.04459	2.1
167.03467	3.2
167.10674	2.0
174.31293	1.4
175.00282	5.8
175.03938	11.6
177.01907	17.5
178.99832	21.6
179.03253	1.6
179.05557	3.5
180.00119	1.9
181.00140	1.2
181.01411	10.5
188.04764	1.5
189.05495	4.3
191.03450	3.3
193.01476	1.6
195.02924	4.1
199.03981	5.8
201.01822	2.2
215.03503	1.7
217.05025	5.9
223.87000	1.4
241.05098	4.7
259.06107	5.4
275.05655	26.0
285.04117	49.0
286.04416	3.1
299.05524	7.1
303.05148	86.5
304.05417	5.3
319.60049	1.4
327.05124	2.3
341.05127	8.5
343.06802	6.1
405.21298	13.2
437.10736	1.6
447.09558	2.7
465.10110	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	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82489	0.3
57.03329	0.8
59.01262	100.0
59.99308	0.3
60.01607	0.8
70.86255	0.7
70.86597	0.4
71.01264	6.2
72.53202	0.3
72.99203	0.7
73.02847	0.3
79.55381	0.3
85.02856	1.2
89.02335	9.5
95.01322	0.4
101.02331	3.5
113.02344	3.1
119.03428	4.8
125.02389	0.7
143.03474	1.0
161.04543	1.5
167.10770	0.5
179.05568	3.8
388.75967	0.3
405.21356	4.9
406.21918	0.4
449.20914	0.5
465.23428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64949	0.3
57.03329	2.4
58.00471	1.0
58.81686	0.3
59.01264	100.0
60.01596	0.6
61.98722	1.1
70.05393	0.7
70.05788	0.8
71.01269	13.3
72.99186	0.5
73.02831	0.7
83.01285	0.7
85.02847	2.0
87.00774	0.6
89.02337	19.1
95.01299	0.8
97.02862	0.8
97.12257	0.3
101.02345	7.6
112.05222	0.4
113.02357	6.4
119.03420	8.1
125.02392	0.9
131.03456	1.2
134.07329	0.5
135.04459	4.0
135.08125	0.4
137.09688	0.7
139.07608	0.6
143.03435	1.8
149.04555	0.5
149.09657	8.8
149.10829	0.6
150.10017	0.5
153.09172	3.4
159.02986	0.4
161.04489	3.7
167.10728	15.0
179.03445	2.0
179.05562	7.0
180.05988	0.3
207.13872	0.5
209.11824	0.6
215.07478	0.4
222.22063	0.3
225.14981	2.5
243.16020	2.4
259.06281	1.5
268.97714	0.3
285.04272	0.5
303.05127	3.2
405.21365	14.7
406.21594	1.7
465.10202	0.4
465.23648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	9.2
58.00478	2.4
59.01263	100.0
61.98723	1.9
65.00176	1.0
69.03341	3.6
71.01268	40.3
72.03738	1.4
72.99204	4.1
73.02848	2.7
83.01285	2.6
84.82975	1.0
85.02832	10.1
87.00774	2.2
89.02335	42.2
90.54956	1.0
95.01299	3.9
97.02882	5.1
99.00772	3.2
101.02344	23.5
109.02879	1.9
113.02368	13.8
119.03408	18.7
119.04933	1.2
121.02869	1.2
125.02357	9.5
125.06022	1.2
131.03467	2.1
133.02863	1.8
134.03693	2.1
135.02937	1.5
135.04446	16.6
137.02356	1.9
139.00317	2.9
141.01854	4.8
143.03439	3.5
149.02400	1.6
149.04480	2.5
149.09662	9.9
151.00304	3.6
151.03981	1.3
153.01897	2.6
161.02403	2.1
161.04524	6.7
161.05650	1.2
163.03976	1.8
163.25172	1.3
166.99796	2.9
167.10738	17.8
168.00639	2.4
169.01416	1.2
177.01907	2.1
178.99812	2.5
179.03473	10.1
179.05524	10.7
181.01460	1.2
193.01419	1.3
203.03461	1.7
204.61020	1.0
217.05179	1.4
225.14917	3.4
241.05002	1.3
243.16049	4.6
257.04633	1.4
259.06207	4.2
275.05606	5.7
280.64456	1.3
285.04077	3.8
291.80429	1.0
301.83997	1.2
303.05167	20.9
304.05408	2.0
405.21387	81.7
406.21835	5.5
421.11127	1.0
437.11319	1.8
465.09946	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	465.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71713	0.2
55.01772	1.1
57.03333	1.4
58.00476	0.5
59.01265	50.6
60.01609	0.6
61.98718	1.1
65.00201	0.4
69.03339	0.4
71.01270	11.9
72.99202	0.8
73.02837	4.8
75.00768	0.5
78.95753	0.2
80.70749	0.2
83.01278	3.2
83.01724	0.3
85.02847	6.8
86.00008	0.5
87.00781	0.7
88.98713	0.9
89.02335	1.8
89.28566	0.2
93.03333	0.3
95.01268	1.3
97.02861	0.2
98.19831	0.5
99.00792	2.0
99.04440	0.4
100.81680	0.2
101.02347	11.3
107.01304	0.7
109.02855	0.8
111.00804	0.7
113.02354	5.2
113.05996	0.4
117.01866	0.3
119.03441	0.5
119.04937	3.0
120.99564	0.2
121.02884	0.8
123.03658	0.2
123.04473	0.9
125.02367	1.0
129.09129	0.2
129.35652	0.2
133.02896	0.4
135.04433	0.5
137.02386	0.4
139.00305	0.2
139.03986	0.5
143.03432	0.4
144.09985	0.3
149.02359	0.4
151.00293	3.1
152.00699	1.0
153.00818	0.9
153.01971	0.3
159.02963	0.6
161.02362	0.5
161.04492	2.0
163.00357	0.2
163.03966	2.5
164.04411	0.2
169.01328	0.3
172.96631	0.2
177.01868	1.6
178.99791	1.2
179.03476	0.4
180.00130	0.6
181.00259	0.5
189.01955	1.7
190.02687	0.3
191.03473	0.7
193.01523	0.2
216.00531	0.2
217.01463	1.5
219.02972	0.4
231.02922	0.5
243.19759	0.9
244.03577	0.2
255.02852	0.3
267.79868	0.2
271.02539	0.5
272.02771	0.4
273.03171	0.7
285.20810	0.5
289.02679	0.3
289.07135	0.4
295.02573	0.4
296.03275	0.3
300.02875	0.4
301.03546	3.6
302.03879	3.3
303.04181	6.1
303.21707	0.5
304.04416	0.4
318.02905	0.8
341.06732	3.1
341.14490	0.2
342.07068	0.6
355.08411	0.3
404.86884	0.2
405.25085	2.3
406.25424	0.5
447.07526	2.1
447.26065	3.2
448.07626	0.4
457.76935	0.2
465.09317	6.3
465.27121	100.0
466.09781	0.5
466.27509	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	467.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03335	46.5
58.00474	1.0
58.03668	0.7
59.01262	29.3
61.98714	2.3
69.03317	0.6
70.38960	2.3
70.39320	0.7
71.01266	11.3
71.70729	0.6
72.99191	1.6
73.02837	2.4
83.01276	1.6
85.02837	14.6
87.00770	1.1
87.67711	0.6
89.02327	5.5
96.95928	1.1
97.02838	1.3
98.20528	0.7
99.00778	0.7
99.04414	21.7
99.61517	0.5
101.02348	13.3
108.02092	0.6
109.02846	3.4
111.00739	0.9
113.02327	1.0
118.96793	0.6
119.03487	1.1
119.04950	0.9
119.22782	0.5
119.52465	0.5
121.02945	0.9
123.04388	1.2
125.02370	11.4
129.01851	1.8
134.03664	1.6
135.04410	1.8
137.02354	1.2
138.03105	0.7
145.07660	5.0
147.02930	1.4
151.00310	0.9
151.03914	1.6
159.09114	0.9
160.06364	13.9
161.02411	1.6
161.04517	10.7
161.07152	47.4
162.07518	2.1
162.71298	0.5
162.76643	0.6
171.10258	7.5
173.10785	1.7
175.03897	0.7
175.08727	33.5
176.09019	1.4
177.01889	4.7
178.02632	0.8
183.09283	0.9
185.10806	2.0
187.08813	7.1
189.02046	3.6
189.06667	83.6
190.02611	0.8
190.07021	3.9
191.01981	4.2
191.03479	0.9
192.00629	1.2
193.01392	0.9
201.10330	6.7
203.08246	35.5
203.11847	8.9
204.08603	1.3
205.01501	1.2
209.03018	9.9
214.43053	0.7
217.01357	3.1
217.09781	1.3
219.03006	1.1
229.09833	20.6
230.10172	1.0
230.65977	0.6
231.02983	0.7
253.04697	0.6
253.09639	0.6
255.03026	1.7
256.03586	1.1
271.02576	0.6
273.03131	1.3
274.03687	0.7
277.11969	3.1
289.07214	2.0
293.10361	1.3
295.13000	0.8
301.03165	1.4
302.03409	1.7
303.03864	1.5
304.04132	1.4
304.09518	0.7
305.11478	60.9
306.11911	4.6
315.04788	0.7
321.19147	0.7
323.12531	100.0
324.12836	7.2
341.06757	1.6
357.06213	4.2
365.13580	13.1
366.13574	1.1
405.16757	2.3
406.47168	0.6
407.07813	3.3
407.19095	1.1
467.09833	7.6
467.16650	5.2
467.22931	1.3
468.09918	0.9
468.16299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	4.8
58.00473	3.1
59.01262	100.0
65.00247	1.1
69.03337	1.4
71.01267	36.3
72.99189	4.1
73.02833	21.7
75.00753	2.4
81.03355	1.0
83.01272	2.9
83.04916	1.1
85.02842	19.9
87.00768	9.3
87.04396	2.5
89.02335	32.4
95.01294	1.5
95.76938	0.9
96.95912	1.7
97.02864	1.2
99.00806	1.7
99.04423	2.5
100.92452	0.9
101.02348	47.8
103.03911	16.6
108.02074	1.0
109.02859	2.1
113.02354	5.2
115.03919	5.4
119.03425	13.4
120.99598	1.1
125.02377	6.2
127.03905	1.9
129.01837	1.2
131.03426	9.8
134.03622	2.3
135.04468	1.6
136.14502	0.9
137.02478	0.9
143.03418	12.1
145.05045	5.5
147.02983	1.1
151.00327	2.4
152.01057	1.5
153.01860	6.7
160.06358	1.9
161.04524	3.2
161.07162	4.1
163.06071	64.4
164.06371	2.0
171.10190	4.7
175.03958	1.3
175.08665	2.7
177.01917	1.8
178.99779	1.1
179.05551	3.8
189.01913	1.4
189.06720	7.5
191.01967	3.2
201.02043	1.0
201.10408	1.4
203.03500	1.0
203.08244	4.2
205.07158	23.7
209.02953	6.2
217.01320	2.0
222.61845	0.9
229.09753	2.8
229.25154	0.9
231.02974	0.9
231.16023	3.2
233.04630	0.9
245.03595	1.3
255.03113	1.4
256.03363	1.3
257.03653	2.0
259.02325	1.6
261.13406	2.4
265.09323	4.0
271.02371	1.2
272.02725	1.5
273.03122	3.9
274.03381	3.2
275.03412	3.4
287.01959	3.6
293.10345	1.3
301.03247	2.9
302.03397	8.1
303.03812	7.1
304.03967	7.0
305.04547	1.5
305.11453	5.3
313.30627	0.8
323.12531	10.3
344.91724	0.9
365.13644	1.2
407.19290	33.2
408.19565	2.9
467.09714	18.4
467.20819	1.1
467.32196	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	467.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
57.03332	2.0
59.01262	48.9
60.01628	0.9
61.98715	1.4
71.01270	31.5
71.11686	2.0
72.99210	1.5
73.02828	13.0
83.01266	8.7
85.02839	20.8
87.00756	1.6
89.02334	4.2
95.01291	1.1
97.02844	1.7
99.00798	5.7
101.02344	33.6
107.01301	1.1
109.02835	1.5
113.02354	12.8
121.95745	0.9
123.79877	0.9
125.02362	3.0
131.03348	1.0
133.06485	0.9
135.04424	1.5
143.03407	2.3
146.03679	1.2
151.00273	1.3
152.01132	0.9
159.02895	3.2
159.04373	1.3
161.04478	14.4
161.05972	3.5
163.04013	1.1
174.03101	1.7
175.03957	1.8
177.01910	1.5
177.05531	1.8
187.03847	1.0
187.07719	1.0
187.67871	0.8
190.02693	20.5
191.01797	1.7
203.03468	3.2
205.05054	7.6
209.03015	4.3
218.02249	0.9
231.03032	2.2
233.04561	69.3
234.04874	4.7
243.02963	2.1
254.48816	1.0
259.02444	4.0
261.13483	48.6
262.13791	2.7
275.09247	1.5
277.03558	4.8
286.99646	0.9
287.02130	10.9
385.45224	0.9
407.19287	100.0
408.19604	7.8
423.09222	5.2
467.08859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78584	0.7
57.03322	1.4
58.93428	0.7
59.00988	0.7
59.01261	3.6
62.43686	0.7
69.36644	1.5
69.37049	6.4
71.01269	3.7
71.04924	0.7
72.99196	8.7
75.00780	5.0
83.01277	3.2
85.02847	2.0
87.00776	1.9
89.02345	1.1
99.00774	5.5
99.55204	0.9
99.95950	0.8
101.02328	0.9
102.86905	0.8
111.00787	2.4
112.98711	10.8
113.99506	3.4
115.00297	4.4
117.01843	1.5
129.01833	1.5
135.02908	10.3
142.99792	16.9
152.99483	1.0
156.00603	7.4
165.12781	0.9
173.00865	12.5
174.01657	100.0
175.02377	6.2
177.05524	1.3
201.09067	1.0
237.11229	1.6
253.10916	0.8
263.65717	0.9
279.11929	1.1
293.21268	12.2
294.21545	0.9
303.23300	0.8
305.21252	7.3
307.22925	2.8
319.22824	1.8
319.68539	0.8
327.19449	1.0
345.20767	6.0
349.20258	10.4
363.22070	1.3
371.18555	1.2
389.19702	1.3
406.28748	0.9
407.20935	4.2
449.21997	4.3
467.22397	1.4
467.27731	3.8
468.28809	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67564	3.9
59.01266	18.9
70.85995	8.7
70.86353	7.2
71.01267	7.4
72.99177	19.2
75.00758	70.8
84.76868	4.2
87.00752	8.8
91.91188	3.8
96.95919	6.0
99.00779	17.2
111.00813	4.5
112.98718	14.5
115.00306	4.2
117.01873	10.2
121.02894	8.5
121.06498	3.9
123.61966	3.6
135.02919	100.0
142.99802	20.2
147.04436	12.1
149.05972	5.1
161.06003	10.9
165.12773	15.5
173.00867	10.6
173.06071	4.6
174.01646	83.5
175.02371	6.4
175.03952	5.1
175.07666	5.0
176.08276	4.8
187.07620	7.6
189.01880	4.5
189.09262	5.2
191.03517	5.0
191.10953	5.1
202.09955	4.6
203.03497	4.5
276.13657	4.5
277.21786	31.4
287.20248	9.2
293.21277	23.7
301.21463	3.8
305.21301	45.0
306.21475	5.4
309.18576	4.7
311.10938	4.8
313.18271	9.1
314.84747	3.6
315.19815	6.5
317.21173	9.4
321.20880	7.2
327.19672	16.4
331.19211	95.7
332.12750	10.3
332.19501	8.2
333.20840	9.0
345.20761	58.0
346.21069	9.2
349.20270	35.4
350.20493	5.3
357.89938	4.3
369.20709	16.1
371.18701	94.6
372.18936	9.5
383.18777	9.2
387.21805	10.2
387.26706	4.6
389.19711	15.4
395.18869	7.7
401.19675	24.6
403.21222	7.1
413.19827	26.7
414.19928	5.9
431.20853	39.2
449.21960	33.0
467.27090	6.4
467.31992	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79292	0.8
53.26594	0.8
55.78428	0.7
56.38453	0.8
59.01262	1.8
61.98710	3.1
70.01656	4.5
74.75965	0.8
75.01536	0.8
78.95793	41.7
81.55136	0.8
83.88110	0.8
94.25166	0.9
96.96863	2.9
98.19845	0.9
110.40743	0.7
129.12500	0.8
131.62648	0.9
152.99533	62.2
153.99911	1.0
171.00595	18.9
182.05775	0.9
198.07062	0.8
209.13298	0.8
227.03282	4.5
239.20189	66.9
240.20432	2.4
245.04346	100.0
246.04718	1.9
283.57370	0.8
424.80801	0.8
434.14243	1.0
467.24237	52.3
468.24869	5.1
468.30405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56907	2.7
79.78397	1.2
93.85202	1.4
100.68541	1.2
109.06521	2.0
113.08900	1.3
143.07060	5.6
150.16241	1.3
150.42375	1.4
171.10208	4.4
192.24983	1.3
269.21283	1.4
275.20233	3.2
282.20947	1.3
293.21207	3.5
341.23447	8.7
387.26550	2.0
407.29578	4.3
408.74887	1.5
410.34775	1.6
421.31207	78.3
422.31723	9.6
423.32700	9.9
435.29086	5.0
437.30588	4.4
451.28470	1.9
453.30197	10.3
455.31735	100.0
456.31924	11.6
465.30145	45.5
466.30569	4.2
467.31693	14.5
468.32175	1.7
479.27789	2.2
481.29526	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	467.3173
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
50.95103	0.3
52.27955	0.3
59.01248	0.3
60.73856	0.3
98.19757	0.6
130.54962	0.3
175.42265	0.3
198.21719	0.3
421.31113	0.4
467.31741	100.0
468.32080	12.1
468.38840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3177
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
56.59667	0.2
59.01260	0.4
69.24091	2.6
94.90245	0.3
96.19844	0.3
105.33782	0.2
136.62305	0.3
291.98688	0.3
335.23792	0.4
353.24887	0.7
393.31708	0.4
419.29532	0.3
421.31366	0.5
467.31763	100.0
468.32092	12.6
468.38849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33272	0.5
50.95564	0.6
53.11256	0.4
59.01262	7.4
59.42781	0.5
60.01594	1.1
61.01696	1.3
61.98714	100.0
65.00201	0.9
70.30713	0.4
70.95835	1.3
71.01263	2.5
73.02850	0.6
75.00759	1.0
75.83279	0.5
81.14835	0.5
83.01276	0.9
85.02869	1.1
89.02352	2.1
101.02338	1.4
107.01318	0.8
113.02299	0.8
113.04037	0.6
125.02366	1.7
135.02858	0.8
135.04488	0.7
137.02463	0.6
138.01932	1.2
149.09717	0.8
151.00262	4.8
167.10738	1.2
168.11086	0.8
178.99837	1.6
193.01523	0.5
193.05051	0.7
259.93359	0.6
292.01242	1.0
400.92148	0.6
408.22458	1.5
469.23050	0.6
470.13547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96151	0.4
57.03335	61.2
58.03672	0.7
59.01261	11.8
61.98712	6.5
69.03347	1.0
69.55290	2.7
71.01261	5.4
71.04893	0.9
71.73558	0.3
72.99208	0.4
73.02842	1.7
75.00768	0.5
81.03352	1.3
83.01276	1.7
85.02834	3.3
86.05252	0.4
89.02355	1.3
93.03348	0.3
95.01280	0.6
97.02856	0.5
98.20674	0.3
99.00774	1.0
99.04414	42.9
99.72372	0.4
100.04764	0.8
101.02345	12.9
109.02888	0.4
113.02363	2.2
121.02862	1.0
121.83311	0.4
122.03685	0.5
123.04516	0.4
125.02361	18.2
126.02728	0.6
130.14841	0.3
133.46962	0.4
134.03670	0.4
135.02922	0.6
135.04478	0.6
136.27789	0.4
137.02379	1.5
137.55977	0.3
139.03940	0.4
143.03419	1.3
147.04494	0.7
148.05229	100.0
149.02496	0.5
149.04466	0.6
149.05542	3.7
154.69360	0.4
159.02979	0.5
161.04492	4.8
163.07585	88.7
164.07915	3.8
165.01836	0.8
165.05533	0.4
167.03438	1.0
179.03426	0.6
185.00822	0.5
203.05687	0.4
214.30290	0.3
223.06104	0.7
243.08730	0.6
278.05746	0.3
293.26474	0.4
367.13730	0.8
371.10229	0.4
389.28589	0.6
407.18719	0.5
407.29395	2.1
409.27551	0.5
425.30411	1.0
433.08905	0.4
451.17883	3.0
451.28479	3.0
452.17780	0.4
469.18677	2.0
469.29611	47.9
470.18747	0.4
470.29971	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	469.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17157	0.5
57.03339	65.9
58.03694	1.0
59.01265	13.1
61.98718	7.6
61.99017	0.8
69.03329	1.0
69.64227	0.9
69.64635	2.1
71.01271	5.7
71.04896	0.5
73.02850	1.9
75.00761	0.7
81.03362	1.0
83.01281	1.8
84.77541	0.4
85.02855	3.3
88.25651	0.5
89.02358	1.1
95.01297	0.5
97.02883	0.4
99.00790	1.0
99.04424	46.3
100.04739	1.1
101.02358	13.3
109.02868	0.9
113.02348	2.5
117.14937	0.4
119.03400	0.4
121.02861	0.8
122.03657	0.7
123.04464	0.6
125.02378	20.2
126.02721	0.5
135.02939	0.9
135.04517	0.5
137.02365	1.4
143.03474	1.5
147.04521	0.9
148.05252	93.8
149.04579	0.6
149.05592	3.8
151.00285	0.6
153.01929	0.4
161.04520	4.7
163.07607	100.0
164.07956	3.9
165.01857	1.1
167.03461	0.8
177.01846	0.4
179.03378	0.4
185.00897	0.7
203.05499	0.5
208.03683	0.4
209.90657	0.4
212.25822	0.5
219.31665	0.4
223.06050	0.7
243.08833	0.6
249.12669	0.4
303.16077	0.6
367.13943	0.6
389.28613	0.9
407.18454	0.7
407.29575	2.1
409.27405	1.0
425.30630	0.7
433.24683	0.7
451.17587	3.5
451.28394	2.3
469.18277	2.1
469.29633	44.0
470.19055	0.5
470.29984	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.9
57.03326	2.3
58.00462	1.2
59.01263	49.0
61.98695	1.6
69.03339	1.5
70.72268	1.7
71.01270	29.3
72.01579	0.5
72.68524	0.5
72.99186	1.9
73.02449	1.1
73.02834	13.7
75.00762	1.1
75.09225	0.5
83.01274	11.3
85.02356	1.1
85.02842	18.5
85.99979	0.7
87.00760	1.7
89.02333	5.0
95.01283	2.3
97.02846	1.0
99.00772	5.2
99.08054	0.6
101.02342	39.6
102.02640	0.7
103.03913	1.1
109.02839	0.8
111.00780	0.9
113.02357	13.5
119.03417	1.7
119.04938	1.0
123.04460	0.9
125.02370	2.8
129.01843	1.2
130.81297	0.5
135.04430	2.3
137.02376	0.6
143.03412	1.5
151.00278	1.3
153.05482	0.8
159.02917	2.5
161.04494	11.3
163.03957	0.8
172.00307	0.5
179.03462	0.7
179.05602	0.7
179.95732	0.5
180.51442	0.5
193.01363	0.8
198.46356	0.6
247.08264	0.9
263.15036	58.1
264.15469	2.9
271.06235	1.1
292.46704	0.5
409.20844	100.0
410.21213	9.2
469.17081	0.7
469.29407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65070	0.1
69.41103	0.6
69.41528	0.4
110.70614	0.1
118.18785	0.1
149.27484	0.1
187.98914	0.1
205.16003	0.1
298.11963	0.1
313.90076	0.1
321.22137	0.1
389.28064	0.2
405.31824	0.1
407.33640	0.2
423.32660	0.2
437.31073	0.1
469.33301	100.0
470.33652	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44207	0.7
74.79090	0.1
76.69567	0.2
90.59443	0.2
101.60184	0.2
121.80834	0.1
132.91652	0.2
139.32950	0.2
143.13582	0.2
153.09166	0.3
186.60071	0.2
207.90305	0.2
262.00076	0.2
320.64255	0.2
391.29993	0.2
407.29724	0.3
421.31216	0.4
423.32849	0.4
451.28568	0.5
469.33331	100.0
470.33698	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	469.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89415	0.2
62.99312	0.2
71.14128	0.7
80.99927	0.2
88.17099	0.2
96.19391	0.2
99.66705	0.2
183.44431	0.3
232.37656	0.3
391.30148	0.3
393.31738	0.7
410.21310	0.3
439.32242	59.8
440.32602	8.0
469.33295	100.0
470.33636	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	469.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
69.67742	1.1
70.82224	0.2
75.85427	0.2
80.23869	0.2
82.98862	0.2
120.31174	0.2
134.03682	0.4
160.01595	0.7
162.07773	0.2
175.03964	1.0
211.38948	0.2
235.17001	0.2
255.23341	0.4
255.52005	0.2
268.91995	0.2
291.36386	0.2
423.32867	0.4
445.86963	0.2
469.33319	100.0
470.33673	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	469.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69061	0.1
59.96833	0.1
70.96969	0.2
109.44876	0.1
134.91180	0.1
138.03326	0.1
142.13675	0.1
158.97430	0.1
185.85594	0.1
213.78755	0.1
223.53477	0.1
377.28607	0.6
380.22302	0.1
393.31622	0.9
394.31851	0.1
405.31805	0.2
407.29584	0.3
421.31174	0.3
423.32843	0.9
469.33301	100.0
470.33664	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	469.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43210	0.1
70.45082	0.2
70.45454	0.2
98.19910	0.1
108.82951	0.1
112.55157	0.1
123.21542	0.1
158.11295	0.1
243.22632	0.1
377.28009	0.1
393.31558	0.2
407.29639	0.2
423.32843	0.2
469.33298	100.0
470.33649	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79896	0.3
58.34946	0.3
59.01257	0.3
70.73647	0.5
71.24476	0.3
75.11034	0.3
77.51007	0.3
98.08399	0.2
103.35166	0.3
103.69869	0.2
117.72872	0.2
134.03592	0.3
160.91597	0.3
190.51950	0.3
237.06267	0.3
240.87645	0.3
283.12772	0.3
407.34000	0.4
423.29065	0.5
425.30731	0.5
451.28711	0.9
469.33414	100.0
470.33783	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	6.3
61.98693	1.4
65.03848	3.4
69.43401	3.9
71.01254	1.6
73.02817	0.6
74.89873	0.4
75.00771	0.6
75.35883	0.4
89.02327	0.9
96.95877	0.9
98.19827	0.7
101.02325	0.8
107.01340	0.6
107.04931	6.8
107.76203	0.5
109.02852	12.0
113.02359	0.8
119.04941	1.2
121.02852	0.6
123.04428	0.9
125.02341	1.8
134.03719	0.5
135.00818	1.0
151.00331	1.6
151.03941	100.0
151.83952	0.4
152.01111	0.5
152.04292	3.4
153.01762	0.5
163.03940	3.9
166.80484	0.4
168.00529	1.0
177.01875	1.7
189.01929	1.5
211.13329	0.8
217.01376	1.5
219.03011	0.5
231.03197	0.5
255.06653	1.2
271.06232	3.5
273.07736	27.8
274.08109	1.8
341.06738	5.9
356.35056	0.6
433.11536	1.3
435.13083	40.9
436.13403	3.3
471.15063	1.1
471.31332	0.8
487.98825	0.5
498.17636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.3
58.57644	2.2
59.01263	35.3
69.86012	10.4
71.01264	25.5
71.04913	2.3
73.02809	2.6
75.66826	2.1
85.02853	7.0
85.84867	2.1
87.00761	2.8
89.02345	13.3
98.19835	3.6
99.00744	2.7
101.02364	14.5
113.02335	15.5
119.03414	4.8
151.11220	2.8
165.12839	3.1
171.10196	2.7
193.12256	3.0
197.11797	4.5
211.13432	16.3
246.64468	2.7
250.31355	2.4
261.00269	2.5
291.19693	33.6
292.20099	2.8
293.21222	7.1
298.38477	2.4
309.20813	38.0
310.21188	4.5
315.19485	4.7
315.22842	2.5
333.20676	7.8
411.23923	5.0
448.93094	2.8
453.30508	3.1
471.25916	100.0
471.34671	53.6
472.26282	10.8
472.35364	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	471.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41591	0.8
59.01257	2.4
69.54495	6.2
96.36673	0.9
145.82800	0.8
170.13243	0.9
253.13199	1.0
275.68497	0.8
277.21765	94.4
278.22092	7.4
442.24069	0.9
471.34937	100.0
472.35446	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	471.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
69.26449	0.6
69.26873	1.2
71.04632	0.8
71.05082	1.8
71.85699	0.2
77.04490	0.1
83.05112	0.7
98.19799	0.3
102.77738	0.1
104.45554	0.2
109.06736	0.6
122.18784	0.1
144.18196	0.2
147.04593	0.2
163.11450	0.2
166.83708	0.2
198.18781	0.1
205.15941	0.9
207.10541	0.6
209.11989	0.3
211.79001	0.2
225.11494	0.2
227.13159	0.3
314.63147	0.2
321.22437	0.2
337.25433	0.4
351.27023	1.1
355.26636	0.4
369.28244	0.6
371.30597	0.2
387.25262	0.3
391.30252	0.5
393.28427	0.2
397.27402	1.6
398.28046	0.2
401.27182	0.6
409.31281	0.9
413.27423	0.2
425.30722	0.5
427.32254	40.0
428.32693	4.5
441.30295	1.1
453.30188	0.2
471.31168	100.0
472.31546	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	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67407	0.1
54.23153	0.1
69.94487	1.0
70.72473	0.1
98.75794	0.2
109.35968	0.2
118.76898	0.2
166.77505	0.2
189.93262	0.2
198.87988	0.2
377.28589	0.2
391.30066	0.2
393.31946	0.3
405.31635	0.2
407.33325	1.1
423.32797	0.2
425.34341	0.4
471.34851	100.0
472.35193	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03047	0.2
70.45640	0.6
79.54997	0.2
86.17776	0.2
101.46705	0.1
110.16903	0.1
178.21642	0.2
212.99454	0.2
366.93311	0.2
423.33081	0.3
471.34879	100.0
472.35229	14.3
472.42233	0.3
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	Myrrhanone B
Peak:m/z	Relative Intensity
71.16022	0.4
81.62766	0.2
111.44543	0.2
177.32697	0.2
186.56516	0.2
206.60612	0.2
220.57751	0.2
232.46509	0.2
441.32684	0.3
471.34866	100.0
472.35208	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	471.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58378	0.2
52.40536	0.2
55.83036	0.2
61.37149	0.2
69.45245	0.5
69.45647	1.2
88.55127	0.2
90.47846	0.2
96.67966	0.2
136.05153	0.2
158.53951	0.2
166.64453	0.2
273.48550	0.2
345.03802	0.2
428.56900	0.2
471.34882	100.0
472.35217	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	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
60.99188	2.7
70.43764	0.6
70.44157	0.6
71.04915	0.4
82.12905	0.2
82.70413	0.2
97.06490	0.6
105.88570	0.3
107.96983	0.2
137.09669	0.7
143.74086	0.3
150.77707	0.3
153.09169	0.3
210.66727	0.3
212.13516	0.3
220.51340	0.3
289.30145	0.3
355.25757	0.3
391.30222	0.8
405.31644	0.8
407.28629	0.4
407.33344	4.9
408.33807	0.6
409.35184	0.3
425.34772	0.3
427.32291	0.4
441.34225	0.4
451.32300	1.6
453.33972	6.7
454.34122	0.7
471.34918	100.0
472.35257	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	471.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74994	0.3
59.01259	0.4
62.04211	0.2
65.31746	0.2
98.20554	0.8
99.03720	0.2
100.17026	0.2
102.86526	0.3
107.32603	0.2
110.54908	0.3
160.06615	0.3
250.91190	0.2
291.19897	0.3
375.71848	0.3
393.28149	0.4
409.31250	0.5
471.34900	100.0
472.35275	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	471.3488
Annotation	Hispidone
Peak:m/z	Relative Intensity
59.01257	1.3
60.99191	2.1
69.03333	0.7
69.27447	0.4
71.58097	0.5
83.04903	1.3
88.98687	0.6
97.06474	1.1
98.79796	0.5
118.18661	0.4
134.34212	0.5
135.04453	1.1
162.83849	0.6
170.17401	0.4
179.03455	1.2
352.27789	0.5
377.28912	0.6
381.11771	0.5
391.30161	1.9
395.29437	0.6
399.32816	1.0
407.33292	15.6
408.33658	1.9
409.31177	1.9
411.32870	2.8
423.32840	0.9
425.26877	3.4
425.34451	2.8
426.27280	0.8
427.36234	2.2
441.24646	0.7
441.30200	11.8
442.30453	1.6
453.33762	1.8
471.30368	29.7
471.34790	100.0
472.30817	3.3
472.35141	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	471.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74994	0.3
59.01259	0.4
62.04211	0.2
65.31746	0.2
98.20554	0.8
99.03720	0.2
100.17026	0.2
102.86526	0.3
107.32603	0.2
110.54908	0.3
160.06615	0.3
250.91190	0.2
291.19897	0.3
375.71848	0.3
393.28149	0.4
409.31250	0.5
471.34900	100.0
472.35275	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	471.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71620	0.1
59.01257	0.2
70.44834	0.3
70.45231	0.2
71.01226	0.2
78.87666	0.1
79.16770	0.1
98.19899	0.2
102.47564	0.1
102.66168	0.2
186.52983	0.2
206.80107	0.2
255.76913	0.2
265.87708	0.2
347.31577	0.1
471.34885	100.0
472.35251	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3489
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.46968	0.3
59.01261	0.4
61.78754	0.3
69.93178	1.7
84.27666	0.3
154.24295	0.3
179.34271	0.3
443.07733	0.5
471.34885	100.0
472.35248	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	471.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.7
71.57275	0.7
76.78542	0.5
83.31639	0.4
127.22754	0.4
133.19722	0.5
222.96475	0.4
254.99727	0.5
373.35590	0.5
471.34894	100.0
472.35254	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.1
59.01262	31.5
61.98687	1.3
67.01771	1.3
68.99686	1.9
69.03340	2.6
71.01267	29.8
71.56732	1.0
72.99197	6.2
73.02832	2.3
75.00761	22.1
81.43128	1.0
83.01276	1.9
83.04897	0.9
85.02839	33.8
87.00768	11.3
89.02338	8.8
93.03375	2.4
95.01273	6.3
99.00776	12.8
99.04398	1.7
101.02351	2.6
103.00257	3.2
104.66954	0.8
109.02877	2.0
111.00784	1.1
113.02355	47.7
115.00247	2.4
117.01833	3.9
119.03391	1.5
119.04926	1.0
123.04425	3.3
125.02370	3.0
129.01846	3.0
131.03384	1.5
133.10133	2.7
135.04419	1.5
135.11700	5.4
150.88342	0.9
151.00346	2.0
157.01314	1.2
161.04533	1.1
161.09644	3.5
167.03448	12.3
175.02431	3.0
179.03340	1.2
179.05568	1.3
179.10751	12.1
180.11029	1.2
183.04495	1.0
189.03978	1.0
205.07112	2.2
207.05061	1.3
223.09897	1.1
227.03467	2.0
231.05107	2.3
249.06165	26.5
250.06520	1.4
255.03011	6.4
267.07254	100.0
268.07620	3.9
269.04654	2.1
273.07730	15.8
274.08044	1.8
275.08423	1.3
283.02567	3.2
284.03180	1.4
285.04095	3.3
297.04315	1.5
299.04706	1.3
303.91803	0.9
310.03772	1.6
326.04346	2.7
327.04861	2.8
328.04694	4.8
411.16617	1.4
413.22012	1.2
429.11877	1.9
429.17728	38.7
430.18103	3.0
435.12903	2.6
472.35660	1.6
473.11099	3.6
473.16730	61.4
474.10513	5.7
474.17163	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	473.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01591	0.7
61.98727	1.4
71.01282	0.5
71.56827	0.7
73.02832	0.5
78.95802	0.8
86.28276	0.5
101.83247	0.4
142.51891	0.5
162.83904	1.9
164.83604	0.5
276.20587	0.6
293.99478	0.5
310.27701	0.5
331.17828	1.0
341.08069	1.2
380.49741	0.5
399.25308	0.9
410.15613	0.6
455.32016	0.8
472.35236	1.5
473.32852	70.0
474.33356	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	473.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54904	0.6
52.55931	0.6
54.23111	0.6
58.00480	1.2
59.01263	12.5
59.94106	0.6
68.42491	0.7
70.33611	0.6
71.01267	15.0
71.56708	1.0
71.57065	0.7
78.95811	1.2
80.96466	0.7
85.02852	1.1
89.02328	15.8
95.01321	0.7
101.02348	4.2
112.87945	0.6
113.02332	4.0
119.03434	3.0
127.21654	0.6
143.03450	0.7
161.04489	1.8
179.05562	5.3
180.71719	0.7
195.13962	3.0
223.13481	1.9
256.12939	0.7
275.20322	2.3
277.21774	9.2
293.21283	32.0
294.21640	3.2
361.76859	0.8
406.92688	0.7
411.32684	1.5
473.36511	100.0
474.36810	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2918
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
56.18903	0.5
57.03307	0.6
58.00451	0.6
59.01264	9.4
63.03001	0.6
67.55611	0.5
69.39194	0.5
71.01270	4.4
71.04870	0.9
71.56364	0.6
71.56733	1.0
72.31591	0.5
73.02464	0.5
73.02832	7.6
83.04898	0.6
85.02811	0.9
89.02300	1.4
91.82774	0.6
101.02322	0.9
110.27457	0.6
137.27412	0.5
209.66200	0.6
289.18002	0.9
307.19046	0.6
337.25253	1.1
339.21698	1.5
340.73581	0.7
369.23837	0.6
375.22861	1.2
385.27115	1.7
390.25473	1.6
411.24802	2.0
413.26715	1.4
425.26584	2.5
429.25830	1.1
439.28128	2.0
440.29370	56.1
441.30014	7.5
455.22260	1.0
455.27835	15.6
456.28049	2.2
472.27805	1.6
473.28632	100.0
474.28918	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	473.2918
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
51.95345	0.7
55.92623	0.6
57.03323	0.8
58.00469	2.1
59.00994	1.1
59.01269	16.8
61.98714	1.6
68.25462	0.6
71.56445	0.9
73.02833	0.7
85.01750	0.6
92.80951	0.7
137.09642	0.9
141.01598	1.6
141.98593	0.6
169.72450	0.7
171.10284	1.2
207.09985	1.1
211.16968	0.8
309.20920	0.9
313.17734	1.2
359.70111	0.8
391.20493	1.0
397.27521	2.3
409.27475	1.6
411.29181	5.8
413.27042	19.6
414.27536	1.7
425.27090	16.3
426.27466	1.0
427.28647	2.5
429.30045	7.2
441.26532	2.9
455.27451	1.7
473.28506	51.3
473.32907	100.0
474.28857	6.0
474.33206	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	473.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58651	0.7
57.03329	0.3
58.00480	0.8
58.02499	0.2
59.01265	4.8
61.98717	0.7
69.64975	1.2
69.65393	0.4
72.97656	0.2
97.98632	0.2
119.15488	0.3
134.04684	0.3
137.09676	0.5
141.01648	0.7
164.83527	0.3
171.73207	0.2
251.91692	0.2
309.20663	0.3
313.17880	0.3
358.00464	0.3
391.20215	0.8
393.28397	0.3
397.27518	0.4
399.29095	0.3
401.30927	0.3
407.29669	0.4
409.27515	0.6
411.29257	2.7
412.29285	0.3
413.27026	9.1
414.27319	1.0
425.27048	7.0
426.27325	0.9
427.28357	1.3
429.30045	3.1
430.30200	0.3
441.26486	1.5
455.27472	0.4
459.27579	0.4
473.33569	100.0
474.33975	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	473.328
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
59.01261	1.6
61.98701	0.6
62.75597	0.1
70.14285	0.2
70.14684	0.3
71.01254	0.2
71.04898	1.5
73.44439	0.1
83.04919	0.2
97.02806	0.2
110.80530	0.1
139.23744	0.1
141.01659	0.4
181.66194	0.1
217.00226	0.1
233.16229	0.1
262.11627	0.2
279.61984	0.2
309.20895	0.2
327.23541	0.2
331.18646	0.1
345.24417	0.2
371.26126	0.6
373.23996	0.2
379.30444	0.2
383.13953	0.1
383.25964	1.1
389.27066	2.1
390.27478	0.2
391.20297	0.3
401.26990	1.2
455.31848	1.5
456.32108	0.3
473.32809	100.0
474.33173	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3646
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.25241	0.2
59.01266	3.1
69.26895	2.0
70.34787	0.2
71.01273	2.1
77.57304	0.2
85.02876	0.2
89.02331	2.7
92.87764	0.2
100.65262	0.2
101.02349	0.8
101.49999	0.2
113.02352	0.5
119.03379	0.4
143.03404	0.2
179.05536	0.7
195.13834	0.4
207.43976	0.2
223.13419	0.4
275.20233	0.3
277.21805	1.9
293.21283	5.9
294.21463	0.4
411.32700	1.5
423.03635	0.2
473.36447	100.0
474.36810	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	474.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69147	0.2
56.40616	0.2
59.01255	0.9
66.96935	0.2
69.37465	2.1
71.26144	0.2
74.22616	0.2
78.95792	14.3
80.00769	0.3
80.10641	0.3
80.18057	0.2
83.04911	0.3
96.96862	0.8
98.59268	0.2
112.07080	0.2
140.01109	2.4
152.99509	2.1
171.00580	1.9
196.03745	1.5
214.04849	3.7
247.35045	0.2
249.71082	0.2
259.20563	0.5
275.20212	0.6
277.21762	100.0
278.22113	9.2
341.62164	0.2
348.48569	0.2
400.22342	0.2
405.07458	0.3
474.26328	17.5
475.26587	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	474.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32439	0.2
53.44711	0.2
59.01261	1.6
71.01267	0.6
71.57468	0.4
78.95794	24.3
88.81667	0.2
96.58051	0.2
112.32961	0.2
121.99262	0.2
122.00045	1.2
131.95216	0.2
140.01112	7.6
152.99533	2.1
166.02687	0.3
171.00563	0.3
196.03773	13.0
197.03992	0.3
214.04851	3.0
233.22798	0.4
259.20612	0.5
275.20245	0.6
277.21774	100.0
278.22131	9.3
303.29819	0.2
382.29977	0.2
474.26361	36.4
475.26654	4.8
475.33072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0892
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
56.36396	0.6
59.01261	34.7
60.01584	0.7
61.98699	2.4
65.00190	1.4
68.99661	0.7
69.03323	0.9
71.01268	7.3
71.56573	0.9
72.99152	0.8
73.02818	1.8
75.00741	1.7
83.01247	1.6
85.02819	2.4
87.00771	0.7
89.02332	5.7
94.70918	0.6
97.41402	0.6
99.00758	1.0
101.02345	5.2
107.01264	0.9
108.02069	1.1
109.02866	3.3
110.94905	0.7
113.02348	4.2
119.01249	1.0
119.03405	3.3
121.02847	1.8
125.02350	0.8
135.00790	2.6
135.02867	1.5
135.04488	0.8
137.02333	1.4
141.29506	0.7
143.03415	1.0
148.01613	2.0
151.00293	2.0
152.01089	0.9
153.01910	0.7
158.95477	0.7
161.02368	0.7
161.04515	3.3
163.00313	4.2
164.01070	1.7
165.01929	1.1
177.01756	0.9
178.99806	15.3
179.05583	3.4
183.04442	0.7
187.03992	0.8
189.99019	1.8
190.99832	3.8
192.00587	6.9
193.28212	0.6
195.13834	1.4
198.03214	1.4
199.04050	0.9
200.04620	0.8
203.03511	0.7
206.99258	1.5
211.03981	5.6
213.01839	1.1
215.03477	0.8
218.99477	0.8
226.02686	4.0
227.03477	8.6
229.05037	2.1
239.03490	5.3
242.02151	0.7
243.03024	2.8
245.04544	0.9
247.55020	0.7
254.02293	1.7
255.03032	17.4
256.03763	3.3
257.04495	1.7
266.02167	0.9
271.02521	39.7
272.02991	4.2
273.04120	1.8
281.00848	1.5
282.01703	4.8
283.02518	28.2
284.03009	1.9
299.01984	6.9
300.02753	5.1
301.03528	7.9
305.21210	1.6
311.02032	5.7
327.01382	1.2
328.02295	78.9
329.03052	100.0
330.03378	7.6
415.23419	8.7
475.08899	77.3
475.20569	1.3
475.26694	3.1
476.09280	7.3
476.20682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72202	0.8
59.01255	1.6
66.95587	0.9
70.42088	2.6
70.42412	1.0
71.01267	15.0
72.99188	3.2
73.02801	0.8
87.00774	1.3
89.02336	3.1
101.02335	0.9
113.02308	0.9
115.00285	40.4
125.02348	0.9
132.88574	4.2
132.94547	1.4
133.01352	100.0
133.04999	11.2
134.01701	1.9
138.41426	0.8
151.70609	0.9
175.53859	1.0
212.73483	0.8
226.84811	1.0
230.65628	0.9
341.10892	1.7
377.08691	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	476.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03934	0.4
55.01760	0.5
57.03336	24.9
58.03652	0.4
58.22554	0.3
59.01262	32.3
60.01585	1.0
61.98715	100.0
71.01273	6.6
71.13442	1.1
72.99232	0.5
73.02831	2.9
75.00750	0.8
83.01286	1.7
85.02852	3.1
87.00767	0.4
89.02355	1.6
99.00784	0.8
99.04417	27.6
100.04773	0.8
101.02343	11.5
101.03012	0.6
102.02663	0.4
103.19964	0.4
108.02101	0.3
113.02348	2.6
119.03423	0.5
121.02788	0.4
124.95703	0.4
125.02364	11.2
135.04433	2.3
143.03447	1.5
151.00328	1.9
152.01025	0.5
153.01860	0.4
159.02940	0.4
161.02435	0.7
161.04500	2.9
169.01370	0.9
172.56258	0.4
178.99809	0.5
179.03398	0.4
212.54877	0.4
249.48407	0.5
269.10355	6.6
269.13065	0.4
287.02051	1.0
311.11459	4.8
312.11862	0.6
315.01813	0.5
343.03610	0.4
351.14697	1.3
376.94135	0.4
413.14600	14.2
414.15158	1.6
441.14249	0.5
477.10727	1.6
502.67603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19811	0.2
56.61125	0.2
59.01254	0.3
63.38126	0.2
69.28204	1.8
69.28609	0.7
78.95794	6.2
93.17049	0.2
100.57538	0.2
102.64563	0.2
122.00025	0.2
140.01126	2.0
152.99509	0.8
171.00584	0.5
196.03773	1.0
214.04863	3.0
261.22406	0.3
279.23340	100.0
280.20721	0.4
280.23697	7.4
383.23306	0.3
422.58853	0.2
476.27945	14.2
477.28403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28003	0.3
59.01252	0.6
62.96286	0.4
66.70492	0.2
70.72731	1.0
70.74576	0.3
78.47342	0.3
78.95792	37.2
96.96837	1.4
104.97361	0.3
122.00046	0.4
134.98424	0.4
140.00050	0.4
140.01114	6.1
152.99533	4.3
171.00578	4.3
196.03766	10.6
214.04855	2.6
261.22241	0.6
269.30322	0.3
279.23334	100.0
280.23685	8.3
321.67181	0.4
339.84601	0.3
476.27917	48.6
477.28302	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	477.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09089	0.3
57.03321	0.3
59.01263	4.9
65.00213	0.8
69.65516	2.3
71.01279	1.6
72.99178	0.4
73.02828	0.8
76.48039	0.3
83.01258	0.4
85.02829	0.9
87.00768	0.7
88.98680	0.5
89.02327	1.5
101.02325	0.8
107.01285	0.9
113.02351	0.6
115.05448	0.4
117.03369	0.9
117.99329	0.3
119.04967	0.3
120.92764	0.3
125.02358	0.9
131.04881	0.4
131.51758	0.3
133.02873	1.3
135.04449	0.6
137.02322	0.4
142.95917	0.3
143.03389	0.4
143.04942	2.6
145.02879	1.4
147.04424	1.0
149.02422	0.8
151.00294	3.0
158.16589	0.3
159.04419	3.2
161.02382	4.9
163.00365	0.4
163.03914	0.3
163.06042	1.2
169.02893	0.4
171.04453	2.6
173.02394	0.9
174.03134	0.4
175.03917	1.2
177.01819	0.7
178.99803	0.9
179.03453	0.3
185.02405	0.4
186.03145	0.3
187.03970	6.2
188.01120	0.5
189.01869	2.5
190.99966	0.3
191.03424	0.8
193.01372	1.1
197.02411	1.1
199.03981	1.8
201.01894	1.0
203.03484	5.3
205.07201	0.3
213.01833	0.4
214.02715	1.2
215.03471	14.2
216.00719	0.7
216.03732	0.6
217.01402	13.2
217.98453	0.4
218.01797	0.7
225.01958	0.8
229.01358	0.3
230.02209	1.2
231.03009	5.0
232.03688	0.4
241.01506	2.0
243.03006	5.6
244.00166	0.3
244.03311	0.4
258.01764	0.5
258.63455	0.4
258.99899	0.6
259.02518	10.0
260.02811	0.5
269.00909	4.2
286.00980	0.7
287.02017	100.0
288.02356	5.0
310.52161	0.3
313.03326	0.4
315.01785	1.5
316.02051	0.6
323.54440	0.4
331.01141	1.7
333.00455	0.5
417.16669	0.5
475.25385	0.3
477.07346	1.5
477.14142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1047
Annotation	Mearnsitrin
Peak:m/z	Relative Intensity
55.08280	0.4
55.69360	0.4
56.51519	0.4
59.01252	1.9
63.02264	0.8
65.00205	0.7
69.29077	4.6
75.69459	0.5
83.01277	0.7
83.48472	0.4
88.27983	0.4
89.61301	0.4
91.01780	0.5
94.47108	0.4
98.20519	0.7
107.01273	1.8
107.01910	0.5
119.17573	0.4
124.01582	1.2
125.02357	1.3
133.02827	0.5
143.04996	0.6
147.04422	0.6
151.00307	7.3
151.01495	0.5
151.03995	0.4
157.02840	0.6
158.52654	0.4
163.00316	1.9
164.01109	1.0
167.79718	0.4
168.00543	0.9
169.01439	0.7
171.04480	1.2
175.03941	1.0
178.99837	3.5
183.04489	0.7
187.03970	1.8
189.01860	0.8
193.01437	1.0
199.03987	3.7
201.01842	2.0
202.02577	0.7
203.03467	3.8
204.03983	0.4
208.57529	0.5
214.02606	1.0
215.01619	0.7
215.03502	6.0
217.01469	0.7
219.03033	0.6
225.02058	0.6
227.03439	3.7
229.01399	0.5
230.02327	0.6
231.03011	2.7
232.03674	0.6
241.01456	0.5
242.02226	9.7
243.03003	40.2
244.03395	2.8
245.00793	0.5
257.04587	10.3
258.01810	0.6
258.04962	0.5
259.02512	7.1
260.03070	0.8
261.04050	0.9
269.01254	0.5
270.01740	10.4
271.02524	48.4
272.02988	3.0
285.04105	19.1
286.01517	1.0
286.04742	6.2
287.02042	16.2
288.02542	1.1
298.01193	1.0
299.02054	7.1
300.02762	4.1
301.03531	1.0
303.01672	0.5
313.00070	0.4
313.03558	0.9
314.04385	38.6
315.01535	23.8
315.05054	7.1
316.02200	10.4
317.02676	0.6
330.03860	26.2
331.01181	1.1
331.04617	27.1
332.04907	1.8
357.05991	0.7
383.05035	0.8
477.10486	100.0
478.10864	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	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
59.01265	84.4
71.01273	13.2
71.56652	1.1
72.99208	1.4
73.02840	4.2
75.00760	7.1
83.01270	2.4
85.02861	4.5
87.00774	0.9
89.02336	4.1
93.03327	0.8
96.95905	4.7
99.00784	1.8
101.02355	8.4
109.02872	1.0
113.02357	5.1
119.03400	1.7
121.02880	10.5
123.04514	0.8
125.02368	0.9
133.04997	3.4
135.02934	6.2
135.04462	1.7
143.03407	1.8
149.05975	1.4
151.00294	2.5
159.03008	1.0
161.02437	0.9
161.04515	16.7
166.06308	72.3
167.06619	2.3
175.03957	1.2
178.99800	0.8
179.05531	0.9
181.08662	100.0
182.09035	4.6
209.81438	0.7
227.03354	1.0
235.08249	12.7
253.04791	0.8
283.02722	1.0
297.07690	1.6
407.18515	0.8
417.17651	10.0
417.22711	0.9
433.05780	0.9
477.04913	2.1
477.11041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01576	1.0
61.98735	0.8
65.40063	0.7
69.03352	5.2
69.67548	0.8
69.69666	1.2
69.70074	4.5
71.01254	1.1
78.95794	2.1
93.66116	0.7
97.02851	2.7
98.19791	0.9
110.98488	1.6
112.61694	0.8
125.09622	1.7
125.65980	0.8
139.00291	1.3
139.02640	0.8
141.01865	6.5
152.99490	1.5
162.53621	0.8
165.12805	1.2
167.01112	0.8
179.60559	0.8
181.12125	0.8
185.00827	1.7
191.14371	1.3
200.58382	0.9
209.11809	6.5
209.13615	1.1
245.11899	0.8
245.19159	1.5
247.20609	0.9
268.34921	0.8
271.16876	0.8
287.01984	1.5
289.18146	8.6
291.19748	8.8
307.19305	5.8
308.19626	1.1
309.20779	6.1
310.21155	1.0
315.01498	1.2
323.45306	0.8
354.96466	0.8
363.21844	1.2
477.07861	0.9
477.22403	4.4
477.32590	1.3
478.23132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47855	0.7
55.01775	1.4
57.03331	3.9
58.00481	1.7
59.01266	100.0
60.01587	1.5
61.98719	19.2
64.31166	0.7
66.33606	0.7
69.03348	1.1
69.43663	0.8
70.99421	0.7
71.01271	42.7
72.99189	2.7
73.02842	11.7
75.00760	3.9
79.48264	0.8
83.01285	4.4
85.02843	15.0
87.00766	3.1
87.04425	1.1
88.53102	0.7
88.98676	1.4
89.02335	20.9
95.01293	3.2
96.95886	0.8
97.02799	1.8
99.00774	6.2
99.04426	1.8
101.02352	29.4
102.02663	1.1
104.63430	0.7
106.72548	0.8
109.02847	2.3
109.03562	0.8
113.02352	18.6
118.97983	0.9
119.03409	8.1
119.04881	0.9
120.99583	7.6
123.04434	1.2
125.02338	3.5
131.03407	1.5
135.02931	7.5
135.04439	1.9
137.02348	1.0
143.03404	2.8
149.04483	3.4
151.00378	1.5
152.99481	1.5
159.02924	3.3
161.02380	1.3
161.04498	20.8
162.04842	0.9
163.03900	1.9
178.99823	0.9
179.03374	1.4
179.05579	3.8
183.04456	1.8
193.08716	0.9
205.03447	1.1
255.16011	3.6
255.19705	1.7
287.01926	2.9
289.07196	4.2
300.02744	0.9
315.01367	1.2
315.15851	1.5
326.04495	0.9
341.14249	1.5
371.14877	1.2
417.25046	75.5
418.25446	6.9
477.22986	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	478.2952
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.22354	0.3
57.05331	0.3
59.01250	0.3
59.85280	0.3
62.96264	0.4
71.56760	0.3
71.57214	0.3
78.95793	14.2
80.95413	0.3
96.96850	1.0
98.95304	0.3
122.00021	0.5
131.60242	0.4
133.76578	0.4
140.01094	2.0
152.99521	2.3
171.00568	2.9
176.47148	0.4
196.03777	1.1
214.04825	2.8
215.28003	0.4
222.98531	0.3
251.20125	0.6
281.24902	100.0
282.25262	7.7
302.77628	0.4
312.93332	0.3
478.29477	17.5
479.29776	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	479.084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.6
63.02295	0.9
65.00200	1.9
69.27054	1.9
69.27451	9.3
71.01251	1.2
80.24999	0.9
83.01277	1.1
95.01282	2.1
95.14780	0.9
99.00799	1.0
107.01293	4.0
108.02091	1.3
109.02859	7.2
109.99961	4.8
111.00790	2.1
123.00776	3.2
124.01584	2.9
125.02383	2.9
133.02888	1.5
136.98752	1.3
137.02335	2.5
137.99506	2.0
139.00307	3.6
145.02954	1.2
146.03773	1.4
148.01578	1.3
149.02338	1.1
151.00299	11.2
152.01102	6.0
153.01854	2.4
158.03668	1.1
159.04430	2.2
161.02377	2.2
163.00339	4.1
164.01080	3.6
165.99051	4.8
166.99779	3.0
171.04449	2.2
172.05171	1.1
173.02432	0.9
174.03159	1.9
178.99844	10.6
183.04521	1.4
187.03931	2.9
188.04791	1.6
189.01936	1.6
190.02682	1.2
190.99896	1.2
198.03250	1.1
199.03969	3.6
201.01854	2.2
202.02696	1.4
203.03479	4.2
214.02759	2.1
215.03366	4.7
217.01463	1.5
217.04790	1.1
226.02739	1.5
227.03464	7.7
229.01363	1.3
230.02145	1.5
231.02950	4.3
232.03690	1.6
241.01421	1.7
242.02214	4.8
243.03046	11.4
244.03716	1.6
245.04492	1.4
255.02928	4.9
259.02472	5.1
260.03320	1.3
270.01706	5.9
271.02518	36.0
272.03165	8.2
273.04114	4.6
287.02005	16.8
288.02701	8.2
298.01248	2.7
299.02029	28.5
299.05408	2.1
300.02377	3.7
301.03400	1.3
302.59122	1.0
308.33386	1.0
313.07111	1.0
315.01520	2.6
316.02261	48.3
317.02985	29.2
318.03345	2.0
343.06793	1.8
461.07303	3.2
479.08398	100.0
480.08829	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	479.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.2
59.01264	1.7
59.52340	0.1
61.98719	0.8
63.02279	1.7
64.99869	0.1
65.00204	2.9
69.78233	0.3
69.78632	0.7
71.01270	1.1
72.99191	0.4
73.02831	0.2
75.00787	0.2
81.03359	0.4
81.77181	0.1
83.01274	2.3
85.02843	0.5
87.00783	0.2
88.98723	0.4
89.02351	1.1
93.03356	0.5
95.01293	0.3
99.04418	0.2
101.02329	0.8
107.01290	6.9
109.02861	5.4
111.00826	0.2
113.02362	0.5
119.03428	0.4
119.04966	0.2
120.01166	0.4
123.00798	0.4
124.01546	0.2
125.02380	1.3
128.41742	0.1
131.03397	0.2
135.02922	0.2
135.04431	0.1
136.01573	0.2
137.02373	17.2
138.02718	0.6
149.02362	0.2
151.00305	29.6
152.00697	0.9
155.03485	0.3
161.02364	0.2
163.00305	1.0
163.03955	0.2
164.01132	0.7
165.01894	1.4
166.99780	0.4
169.01387	2.6
173.02403	0.1
178.99823	23.5
180.00159	0.8
182.02205	0.8
190.99811	0.5
191.03470	0.4
191.05602	0.2
192.00613	1.6
193.01370	1.5
194.01813	0.2
197.04504	1.1
203.03592	0.3
215.03587	0.3
217.05042	0.2
227.03496	0.8
230.01996	0.1
239.16498	0.2
243.03012	0.4
245.04546	0.5
255.03026	0.4
255.19630	0.3
257.17599	0.9
259.02499	0.4
261.03973	0.2
271.02542	2.0
272.02966	0.2
273.04266	0.2
281.06857	0.2
287.02060	0.7
288.02805	0.4
289.03589	0.8
299.01999	0.7
299.11423	0.2
315.01694	0.5
316.02292	3.1
317.03073	100.0
318.03430	6.6
354.10913	0.2
383.55719	0.1
387.16895	0.3
417.24832	0.2
419.22787	0.9
461.07208	0.4
479.08444	7.9
479.18042	0.6
479.25131	3.4
480.08765	1.0
480.25275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40605	2.0
53.11690	2.2
59.01256	4.9
62.45081	2.5
65.00211	7.9
67.06080	2.3
68.77824	2.2
71.01285	2.9
71.58636	2.7
71.59004	4.3
71.64416	2.1
74.61914	2.3
82.04973	2.3
95.01281	4.8
99.00782	2.6
106.00445	2.7
107.01292	11.3
109.02864	15.7
111.00776	11.7
115.80798	2.1
123.00784	11.9
124.98709	5.2
125.02357	9.4
133.02855	3.2
136.98734	3.1
137.02330	2.7
139.00325	11.1
147.04388	4.2
149.02417	3.5
149.99510	8.5
151.00314	43.6
152.01050	3.0
153.01868	7.3
159.04402	3.8
161.02354	4.9
161.05983	2.7
163.00339	6.8
164.98204	2.8
165.99052	3.5
166.99867	3.7
168.00563	6.7
169.01427	4.8
171.04422	4.5
173.02454	3.0
175.00348	2.8
175.03952	7.9
177.01935	2.9
177.99037	10.0
178.99808	62.9
180.00186	2.8
187.03984	7.5
189.01868	6.8
189.05563	2.6
191.03424	3.5
193.01366	4.3
194.99298	4.3
197.00829	3.0
199.03967	6.3
201.01956	5.9
203.03485	9.0
208.00027	3.2
213.01695	3.1
215.03474	10.9
219.03024	2.7
222.98764	5.2
223.34103	2.2
227.03525	4.9
231.02965	8.5
232.03703	8.5
233.04533	11.5
241.01566	2.7
243.02965	11.4
245.00862	4.0
245.04596	6.7
247.02606	2.8
257.00922	2.5
259.02557	6.2
260.03348	3.4
261.04080	10.6
271.02542	27.3
287.02005	41.0
288.02658	10.5
289.03665	16.7
297.00351	5.5
299.02087	6.3
300.02850	3.2
314.00662	3.3
315.01517	100.0
316.01913	8.5
318.69016	2.8
332.01706	12.3
333.02478	14.8
339.07294	7.4
343.06778	9.1
379.10318	3.9
399.14093	2.5
407.09747	4.4
435.09192	3.9
451.08716	3.2
461.07269	4.5
479.08328	63.3
480.08578	3.5
488.42233	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	479.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15793	0.4
64.65049	0.4
70.35748	1.3
70.60588	0.4
82.85900	0.3
85.19083	0.4
96.23212	0.4
107.01290	1.4
109.02842	0.4
124.01589	2.3
136.01550	0.4
137.02356	1.2
149.77203	0.5
151.00319	4.7
152.01060	1.2
163.00316	1.3
164.01131	1.2
169.01411	0.5
170.77002	0.4
178.99823	6.5
185.02454	0.6
193.01462	0.5
203.03467	0.4
214.02705	5.6
215.03342	0.9
227.03499	0.8
242.02216	3.9
243.03011	2.8
259.02487	5.4
270.01718	5.7
271.02524	32.4
272.02853	1.7
287.02032	16.5
288.02740	2.9
315.01810	0.6
316.02292	95.7
317.02930	19.3
318.03262	0.7
329.03259	0.5
355.91089	0.4
479.08389	100.0
480.08691	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	479.084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
63.02258	0.6
65.00210	2.2
67.01760	0.5
68.04749	0.3
68.99694	0.4
69.03336	0.3
69.32372	0.6
69.32777	3.0
73.55569	0.3
75.50993	0.3
95.01265	2.8
96.99203	0.5
99.00782	0.5
107.01299	3.1
108.02080	0.3
109.02837	1.4
110.00001	5.9
111.00799	4.5
117.03381	0.3
119.04935	0.6
121.02882	0.5
123.00786	3.9
124.01593	2.9
124.98709	1.0
125.02354	5.9
125.99518	0.7
127.00280	0.5
130.81670	0.3
131.04970	0.5
133.02881	0.7
135.00789	1.3
136.98740	1.7
137.02373	2.3
137.99495	2.2
138.03145	0.8
139.00294	9.3
140.01105	2.1
141.01904	0.5
141.99033	0.5
143.04921	1.5
145.02879	0.5
147.04454	0.8
148.01563	0.3
148.08020	0.3
149.02365	1.3
151.00298	11.3
152.01105	6.4
153.01871	1.9
159.04480	1.9
161.02475	1.5
162.03131	0.7
163.00302	3.6
163.03926	0.7
164.01085	2.0
164.98174	0.5
165.01862	1.7
165.99023	6.5
166.99774	2.8
169.01366	1.1
169.02815	0.7
171.04497	1.6
173.02379	1.1
174.03152	1.0
175.00337	0.5
175.03955	2.3
176.01091	0.9
177.01877	1.9
178.02528	0.3
178.99815	14.0
180.00468	2.0
181.01355	1.0
185.02428	0.5
186.03235	0.4
187.03973	3.7
188.04652	0.7
189.01906	2.5
189.05574	0.4
190.02641	1.6
190.99844	1.7
191.03471	2.5
192.00609	2.0
193.01321	1.1
193.98528	0.4
194.99323	1.8
197.02423	0.8
198.03094	0.6
199.03996	2.4
201.01988	1.5
202.02647	1.4
202.99841	0.3
203.03471	6.3
203.05293	0.6
204.04021	0.9
205.01436	2.4
205.04907	0.5
206.02109	0.7
206.99387	2.3
207.02847	0.7
208.00131	1.2
209.00922	0.5
213.01881	1.6
214.02672	1.4
214.93840	0.3
215.03500	5.9
216.00546	0.3
216.03972	0.8
217.01430	1.8
217.05038	0.9
218.02184	1.2
219.03009	4.2
220.03674	0.7
221.00911	2.0
225.01985	0.4
227.03473	1.1
228.00639	0.5
229.01379	2.0
230.02232	3.3
231.02977	6.0
232.00072	0.3
232.03630	2.3
233.00925	1.1
233.04514	0.9
234.01498	0.6
235.02565	0.4
241.01427	2.3
242.02197	2.2
243.00484	0.5
243.03000	10.0
244.03610	1.0
245.01031	1.5
245.04544	0.5
246.01720	1.2
247.02509	3.2
248.03246	1.0
249.03830	0.3
252.57089	0.3
257.01007	0.8
258.01773	3.8
259.02518	11.8
260.03113	2.1
261.04068	2.5
269.00955	2.0
270.01593	0.7
271.02542	9.7
272.03003	0.7
273.00562	0.4
274.01340	0.5
275.02032	2.5
276.02667	1.3
286.01184	5.0
287.02017	39.2
288.02579	9.3
289.03488	7.0
291.01328	0.5
297.00406	1.7
303.01480	5.1
304.02237	7.3
304.05435	0.6
305.03082	2.2
314.00861	1.5
315.01517	53.3
316.01984	4.8
317.03094	1.0
327.07260	0.9
331.01080	1.8
332.01773	82.5
333.02481	32.0
333.06818	0.5
334.02975	2.3
337.05750	0.3
355.06839	0.4
356.33191	0.3
367.06726	0.8
435.09329	1.0
461.07355	8.8
461.13828	0.4
462.07843	0.8
479.08371	100.0
480.08731	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	480.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
61.98716	100.0
71.04778	0.4
71.05115	0.4
78.95811	0.3
227.62967	0.2
256.43292	0.2
313.07455	0.2
359.87579	0.2
480.08960	0.2
480.24832	0.3
505.37943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3106
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
57.04865	0.6
61.98714	1.6
71.56739	0.8
71.57243	0.8
77.65519	0.6
78.95795	16.2
89.43227	0.6
93.26019	0.6
134.66045	0.7
135.31055	0.7
140.01112	5.2
152.99478	2.8
195.09892	0.7
196.03775	8.5
214.04861	2.0
245.04478	1.3
253.21863	0.7
255.23277	1.2
283.26468	100.0
284.26810	6.8
480.31049	36.4
481.25565	1.4
481.31503	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	481.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
56.97152	0.3
59.01262	3.0
70.89512	0.6
71.01271	3.4
71.04906	7.8
73.02840	0.6
75.00760	0.5
78.79944	0.2
79.01152	0.2
79.43119	0.3
83.01286	1.7
85.02842	1.1
89.02339	1.7
93.03330	0.3
95.01311	0.2
95.04916	2.8
96.74372	0.2
96.95905	0.4
97.02850	12.2
99.00784	0.3
101.02325	1.3
108.02080	0.4
108.08727	0.3
108.46304	0.3
109.02862	15.4
110.03189	0.4
113.02345	1.2
119.03402	0.7
119.04932	1.2
125.02361	0.9
131.03423	0.3
135.04427	0.5
137.02356	2.0
139.03938	100.0
139.29562	0.2
140.04257	2.4
149.04501	0.6
149.09732	0.5
151.00313	0.4
153.01878	30.8
153.05415	0.7
154.02180	0.9
161.04460	0.3
163.03955	3.8
165.01881	10.4
166.02205	0.6
167.10666	0.4
178.99803	0.3
181.05003	0.9
183.02937	1.3
193.05096	0.3
207.03156	0.6
259.15555	0.3
275.05563	0.3
327.07318	3.0
330.36951	0.3
345.08337	38.8
346.08640	2.7
349.18686	1.7
413.22903	0.3
421.20782	0.5
481.09915	0.7
481.22983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25627	0.6
55.63173	0.5
69.28168	6.4
78.95790	38.5
96.96856	2.8
98.19839	1.2
143.95271	0.6
152.99516	58.4
153.99846	0.8
166.27985	0.7
171.00583	18.4
188.24258	0.7
210.09140	0.6
226.99661	0.6
227.03334	3.7
245.04326	100.0
246.04712	2.9
249.72731	0.7
253.21741	63.4
254.22119	5.2
281.07971	0.6
349.51703	0.6
385.18842	0.7
481.25790	50.2
482.26175	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	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28504	1.6
72.22219	0.8
78.95793	56.2
85.73124	0.8
96.96858	4.9
100.50824	0.8
119.58999	0.8
121.26983	0.7
141.35722	0.8
152.99524	100.0
153.99757	1.0
171.00595	16.0
171.02066	0.9
227.03273	9.1
245.04338	57.7
246.04645	1.7
253.21777	42.6
254.22090	2.6
481.25827	99.0
482.20825	0.9
482.26331	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50557	0.7
68.92403	0.7
69.47871	0.7
72.06912	0.7
78.95789	53.8
95.39836	0.8
95.52897	0.8
96.96860	4.6
98.20596	1.6
101.75161	0.7
143.00374	0.9
146.78510	0.8
150.97931	0.9
152.99521	61.2
153.99748	0.9
171.00583	17.3
188.15083	0.8
227.03320	3.7
229.70477	1.0
245.04337	100.0
246.04739	3.4
253.21744	67.4
254.21904	4.7
311.83398	0.9
363.08716	0.8
456.56259	0.9
481.25824	56.1
482.26105	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	482.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.3
59.91414	0.4
61.98713	100.0
65.03858	0.7
68.26095	0.5
69.36108	4.7
71.01265	1.4
73.02835	0.4
78.95803	0.9
85.02844	1.0
93.03352	1.4
96.95912	1.4
101.02331	0.6
107.04946	2.3
108.02064	2.8
109.02908	3.6
113.02383	1.3
119.04946	0.6
121.02887	0.7
125.02361	1.1
133.02882	0.6
134.03690	1.4
135.00810	0.6
135.04446	2.1
136.04826	0.4
136.14485	0.5
137.02396	1.0
137.68060	0.4
139.03928	0.6
149.02367	0.6
150.03220	0.5
151.03938	51.9
152.01137	2.3
152.04295	2.0
152.99437	0.5
153.01849	0.9
163.03961	1.8
175.03949	0.5
177.01866	0.9
177.32675	0.5
178.02721	0.8
179.03444	2.2
179.05464	0.5
179.07195	0.5
180.03845	0.6
221.49181	0.5
237.78453	0.5
255.03154	1.1
257.08212	33.2
258.08655	2.0
271.02615	1.8
300.02698	4.0
301.03491	2.5
348.54922	0.5
349.38950	0.5
387.41724	0.4
419.13519	38.7
420.13846	4.7
447.09390	4.6
482.17273	2.2
483.19394	1.5
483.27713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51421	0.3
56.72529	0.3
57.50456	0.4
59.01263	100.0
60.01602	0.9
61.98738	0.6
69.22084	4.3
71.01270	3.0
78.95810	0.5
80.96453	0.5
85.02875	0.7
87.00800	0.4
101.02350	0.4
103.51246	0.3
109.58481	0.3
111.00799	1.4
114.92900	0.4
121.02901	1.0
135.08095	0.4
151.00363	0.5
152.99535	0.6
173.00856	0.9
173.41519	0.3
192.01151	0.4
271.02637	1.0
291.08878	0.5
300.02972	1.4
301.03665	1.4
320.60388	0.4
381.12292	0.8
423.13174	1.2
447.09442	1.8
448.10269	0.4
483.31750	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	483.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.6
71.01270	1.2
71.56042	0.4
73.15665	0.4
74.36341	0.3
74.44598	0.2
78.01489	0.3
78.54006	0.2
78.95796	1.9
79.95620	1.7
83.01266	0.4
84.56277	0.3
85.02849	0.8
89.02348	0.8
93.03333	0.8
96.95910	100.0
96.96795	4.2
97.95843	0.4
98.02377	6.5
101.02332	0.9
108.02077	0.6
109.02818	0.4
113.02383	0.7
115.00286	0.5
119.03450	0.4
119.04940	1.2
120.05280	0.4
135.04457	0.3
137.02371	0.6
145.02882	0.7
147.04471	1.1
149.05988	0.4
151.00331	0.3
153.01863	0.5
161.05997	0.6
163.03993	0.8
165.04343	0.4
165.05585	0.4
175.02437	0.9
175.03882	0.3
177.05524	1.3
187.03941	0.3
189.05516	0.4
193.03310	0.3
193.05016	0.6
197.06174	0.4
199.04050	0.4
213.05586	0.3
217.05078	1.3
219.06723	0.3
221.04582	5.1
233.04681	0.3
233.08228	0.4
241.05074	0.3
244.13644	0.3
255.06477	0.3
259.06082	0.5
261.04099	2.0
265.04724	0.3
277.07233	0.7
303.05176	0.5
319.08432	0.6
321.06247	1.1
351.20251	0.3
404.38193	0.3
437.67065	0.4
472.57147	0.3
483.13846	1.4
483.23752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11177	4.7
59.01258	39.9
61.98712	16.0
69.27055	48.2
71.01271	49.9
71.50605	5.0
72.99180	5.4
73.02831	17.5
74.77545	4.2
78.95795	9.9
83.01276	7.3
85.02823	22.3
89.02343	13.2
96.95884	14.1
99.00787	9.2
101.02331	42.7
113.02337	25.1
119.04990	5.1
125.02399	24.0
125.03141	4.8
128.03444	5.3
134.03650	7.0
135.04465	8.7
143.04552	9.7
149.99500	9.2
151.00267	9.7
152.99481	10.6
161.04478	11.1
163.28299	4.8
168.00536	18.7
177.01917	5.7
178.99806	6.9
179.03508	7.1
255.03127	5.8
270.04883	5.3
271.02490	14.0
291.18152	30.9
300.02890	29.9
301.03513	18.3
306.07764	12.1
309.99319	4.9
331.06787	8.2
423.16931	8.7
423.22415	100.0
424.22464	7.9
447.09521	41.5
447.22247	5.4
483.15036	16.7
483.20248	16.2
483.31128	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01261	0.5
61.98705	0.4
67.01783	2.0
68.08970	0.2
68.64653	0.2
69.49020	1.7
72.99197	5.5
72.99567	0.2
73.02821	0.3
75.00763	0.5
83.01273	2.7
84.15033	0.2
85.02840	8.3
87.00757	0.2
90.15936	0.2
92.94720	0.3
99.00787	0.9
101.02349	2.0
102.80121	0.2
111.00788	100.0
112.01134	2.1
125.81212	0.2
129.01863	2.7
130.14049	0.2
135.02917	0.6
152.99477	0.3
154.99799	13.2
156.00163	0.4
173.00867	53.5
174.01219	1.0
271.02582	0.5
291.19879	0.3
293.21402	1.7
300.02820	0.5
301.03690	0.4
309.20941	0.5
437.30402	0.4
439.32373	4.2
440.32227	0.4
447.09586	0.9
453.30258	0.5
465.30389	0.3
471.31381	0.6
483.22787	1.7
483.31332	18.9
484.31714	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
61.98720	2.1
65.32253	0.2
67.01769	1.8
72.99202	4.2
75.00729	0.2
83.01276	2.6
83.19488	0.3
83.35538	0.2
85.02845	9.5
87.00762	0.2
93.03394	0.3
98.19804	1.0
99.00821	1.2
101.02337	1.6
107.04935	0.3
111.00792	100.0
112.01135	2.3
129.01874	2.2
135.02882	0.3
140.87671	0.3
154.99809	13.6
156.00174	0.5
173.00873	51.1
174.01253	1.3
177.68365	0.3
191.05608	3.1
209.56659	0.3
255.03070	0.6
271.02509	0.7
291.19611	0.5
293.92285	0.2
300.02832	1.1
301.03384	0.9
309.20804	1.7
361.56436	0.2
447.09320	1.8
483.20026	0.4
483.31006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60556	0.8
53.18420	0.7
55.01765	1.8
56.42870	0.8
57.03340	2.0
59.01263	70.3
60.53844	0.8
61.98712	9.1
69.03349	1.6
69.45240	6.8
70.60638	0.9
71.01267	27.6
71.81461	0.8
72.99194	2.0
73.02836	13.3
75.00776	1.0
78.95816	1.3
83.01270	7.7
85.02845	17.0
87.00793	1.6
89.02331	5.0
95.01266	2.9
96.95921	1.5
97.02843	1.8
98.19868	2.1
99.00774	6.5
101.02345	35.6
108.02086	0.9
109.02888	1.8
111.00799	1.6
112.60781	1.0
113.02345	12.7
119.04897	1.0
123.04481	1.1
125.02351	2.5
129.01871	1.2
131.03426	39.3
134.03638	1.5
135.02914	2.3
135.04425	3.3
137.02368	1.8
143.03494	1.4
147.02876	0.9
151.00246	1.8
152.99518	1.5
159.02960	2.1
161.02463	1.1
161.04482	9.1
177.01738	1.3
178.02689	0.9
178.99808	1.2
179.03508	1.7
211.13289	1.5
255.03067	2.1
271.02536	4.2
291.18192	100.0
292.18570	6.0
300.02792	12.2
301.03552	7.8
359.28201	1.1
423.22464	23.2
424.23056	1.8
447.09378	14.8
448.09622	2.1
483.19360	3.3
483.31763	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.2
57.03327	2.4
58.00480	2.5
59.01263	72.2
61.98717	5.1
69.03333	2.5
71.01270	36.6
72.99200	2.7
73.02830	14.7
75.00768	1.9
78.95795	17.6
83.01276	9.9
85.02842	21.5
85.99963	0.9
87.00741	1.7
89.02341	12.7
95.01292	2.4
96.95914	4.3
96.96863	2.9
97.02857	1.5
99.00787	7.3
101.02344	44.8
108.02119	1.3
111.00813	0.9
113.02351	25.8
119.03413	3.8
119.04940	1.9
119.74659	0.9
121.02861	1.6
123.04410	2.8
125.02345	2.2
129.01819	1.6
131.03426	34.4
133.02856	2.8
134.03625	2.6
135.02875	3.8
135.04460	4.5
135.08000	0.9
137.02341	2.0
137.09688	1.0
141.01823	0.9
143.03433	2.5
143.97540	0.8
151.00293	2.5
152.98328	1.7
152.99532	30.8
153.01938	1.0
159.02939	3.1
161.02394	1.3
161.04501	13.3
162.32199	0.8
163.03925	1.1
167.03421	2.9
171.00606	1.3
177.01909	2.5
178.02679	2.7
178.99814	1.7
179.03444	2.4
179.05568	3.4
185.00790	0.8
189.03987	3.0
209.11818	1.0
218.94363	0.8
243.03000	1.0
255.02951	3.6
271.02490	6.7
291.18198	100.0
292.18619	7.1
293.10391	0.9
300.02841	12.2
301.03543	9.1
335.17319	1.2
382.10297	0.9
388.63879	1.0
423.22421	40.9
424.22711	3.7
447.09360	19.1
447.21988	1.0
448.09723	2.3
461.06778	1.0
465.30438	1.2
483.23669	9.2
483.30823	3.3
483.37265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2738
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.44532	0.3
71.12534	0.7
78.95792	17.7
96.08855	0.3
96.96867	1.5
150.97948	0.4
152.99527	30.0
153.99840	0.4
171.00624	1.9
198.53181	0.3
227.03290	4.5
241.18990	0.3
245.04362	1.0
255.23328	100.0
256.23694	6.3
379.70996	0.3
391.22748	0.7
483.27377	60.5
484.27704	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	483.2737
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
62.69135	0.2
70.45502	0.5
70.45901	0.5
75.01054	0.2
78.95791	6.6
84.43531	0.2
88.27112	0.2
96.39173	0.2
96.96856	0.4
108.62827	0.2
117.02515	0.2
139.36800	0.2
152.99522	13.7
153.99922	0.3
171.00623	1.1
227.03279	3.3
245.04355	1.3
255.23317	100.0
256.23654	7.6
303.13782	0.3
483.27383	36.3
484.27689	4.3
505.33887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3125
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
56.00344	0.2
59.01241	0.4
63.06395	0.3
69.48468	0.4
69.48872	1.7
71.01250	1.0
73.02831	2.1
99.04431	0.3
153.09058	0.6
285.18619	0.4
303.19766	1.4
363.27066	1.2
389.24680	0.7
403.26794	1.3
404.27148	0.6
405.28275	0.5
419.29651	5.3
420.30008	0.8
421.31812	1.3
437.30682	50.0
438.31049	7.5
438.37231	0.4
439.32288	1.2
447.09546	0.6
453.30118	0.8
483.31262	100.0
484.31622	14.4
484.42154	0.4
501.41565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3128
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
56.84225	0.3
59.01252	0.7
71.58149	0.5
97.08141	0.4
112.90846	0.4
202.51172	0.3
271.02463	0.5
300.02905	0.6
301.03525	0.8
347.51483	0.4
407.29669	1.1
435.29019	0.7
437.30801	0.5
447.09137	1.4
448.10129	0.4
453.30194	34.3
454.30496	5.3
483.31268	100.0
484.31586	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	485.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
59.01266	5.0
60.19666	0.8
61.98711	2.1
71.01265	7.4
71.56728	1.4
73.02843	4.4
75.96194	0.8
79.75606	0.8
83.04955	1.0
85.02853	3.7
89.02322	2.8
97.06487	18.7
99.00747	1.1
101.02351	4.4
107.27407	0.9
110.10794	0.9
111.00765	4.5
113.02367	1.8
125.09644	0.9
136.69167	0.9
151.70946	1.0
155.71753	1.1
161.04485	2.2
171.37831	0.8
173.00952	1.3
209.11800	11.5
225.11226	3.4
227.12871	7.0
232.71388	0.9
233.95337	1.1
243.12306	1.0
268.93469	1.0
300.02942	1.7
335.56842	0.9
345.25726	1.9
347.15372	1.4
365.16461	2.8
375.23056	1.9
375.27350	1.8
387.27151	6.0
389.24887	2.1
390.25668	2.3
391.26404	7.4
404.96552	1.0
405.27927	1.9
407.17880	1.1
421.27402	2.0
423.29034	4.1
425.26660	1.0
435.24167	1.3
439.23169	1.3
439.28601	14.7
440.29364	40.0
441.29779	17.6
442.30255	1.7
447.09811	2.0
471.27823	2.2
473.29178	100.0
474.29486	11.5
485.33200	68.4
486.33792	6.4
505.28070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51465	1.0
59.01251	3.9
59.99221	0.8
61.98716	1.2
69.42864	1.2
69.43172	9.1
71.01289	5.1
73.02830	7.9
83.04892	0.9
98.20544	1.2
111.68954	1.1
111.81772	1.0
209.11868	6.7
225.11250	2.6
227.12868	3.6
300.02551	2.1
301.03778	1.4
345.26044	1.4
359.24185	1.5
373.24850	1.0
375.26880	1.9
387.26950	2.3
391.26273	1.7
405.27908	1.5
421.27493	1.9
439.28732	16.7
440.29391	64.4
441.30090	52.2
442.30249	4.9
447.09290	1.2
458.71497	1.2
471.27625	2.8
472.28592	1.7
473.29150	100.0
474.29507	11.7
485.32529	19.8
486.33334	1.3
490.84232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20137	0.1
59.01261	1.6
61.98730	0.1
66.81512	0.1
71.01273	0.9
71.04906	0.1
71.56789	0.1
73.02831	0.3
82.77560	0.1
83.95779	0.1
85.02859	0.1
89.02335	1.3
96.95917	0.1
97.02880	0.1
99.00767	0.4
101.02337	0.5
109.01800	0.1
113.02373	0.1
129.09140	0.1
131.03416	0.2
144.77037	0.1
149.04503	1.0
155.20518	0.1
161.04425	0.1
178.13750	0.1
191.05681	0.1
209.11853	0.2
300.03033	0.1
301.03690	0.1
355.73456	0.1
357.26163	0.1
375.26993	0.1
391.17737	0.1
423.28973	0.1
441.30481	0.5
442.30042	0.1
447.09561	0.3
473.33102	0.1
485.32861	100.0
486.33231	14.9
486.40643	0.2
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
57.03327	0.4
59.01252	1.3
61.98716	0.4
69.73017	1.0
71.01266	1.4
72.71990	0.1
72.99194	0.3
73.02834	1.0
74.52698	0.2
75.42473	0.1
79.55304	0.2
83.01276	0.4
85.02827	0.8
88.10052	0.2
89.02338	0.5
95.04920	0.4
97.06486	17.0
98.06814	0.6
99.00764	0.4
100.19651	0.2
101.02368	0.9
101.02937	0.2
111.00795	1.2
112.54584	0.1
113.02354	0.5
119.03435	0.4
119.08571	0.4
122.38937	0.2
143.03410	0.2
145.50267	0.1
160.89180	0.2
161.04497	0.6
173.00919	0.4
193.86476	0.2
207.10327	0.2
209.11812	2.1
225.11346	0.6
227.12875	1.1
243.12497	0.2
262.84006	0.2
293.21326	0.2
300.02939	0.2
315.19742	0.2
325.25528	0.3
343.26505	0.3
357.26016	1.4
371.26038	0.6
373.29044	4.2
374.29456	0.6
375.26978	0.5
387.25577	1.4
388.25742	0.2
389.28864	0.3
391.26437	0.3
391.30496	1.8
405.27533	0.3
407.29584	0.6
409.27429	0.5
419.29544	0.3
421.31201	0.3
423.33502	0.3
435.23816	0.4
437.31046	0.3
439.27844	1.0
440.29233	1.0
441.29712	0.5
441.34784	0.3
447.09140	0.3
455.27979	0.5
467.31619	0.4
473.29147	1.7
474.29269	0.2
485.32874	100.0
486.33258	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3279
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.71709	0.2
56.50558	0.2
64.05329	0.2
65.06763	0.2
70.64407	0.5
70.64738	0.4
91.06381	0.2
97.62903	0.2
119.05154	0.2
138.61563	0.2
145.02145	0.2
170.47098	0.2
188.65797	0.2
197.33772	0.2
216.32567	0.2
372.05276	0.2
400.79163	0.2
409.31195	0.9
410.31619	0.3
411.38925	0.3
435.77524	0.2
437.30609	2.2
438.30927	0.5
439.32455	0.2
455.31717	8.0
456.32077	0.9
485.32816	100.0
486.33167	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	485.328
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
71.33736	0.3
80.99293	0.2
133.33746	0.2
152.95239	0.1
155.14651	0.1
357.25769	0.2
376.02579	0.2
467.69061	0.2
473.33038	0.2
485.32806	100.0
486.33182	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50098	0.2
60.99176	1.3
70.34763	0.7
71.01274	0.2
73.02838	0.4
123.07974	0.2
201.70169	0.2
215.60258	0.2
249.18272	0.2
325.25650	0.4
337.25476	0.5
347.62778	0.2
349.25351	0.6
365.86450	0.2
367.26413	1.5
377.28549	1.8
378.28955	0.2
379.30386	0.2
383.25958	0.2
391.30060	0.5
393.31775	2.3
394.31906	0.3
399.25464	0.4
405.31625	0.3
407.29581	0.6
421.31354	0.6
423.32867	2.0
424.33252	0.4
435.29187	0.4
437.30685	0.6
439.32278	0.4
440.32547	0.3
441.34302	0.4
454.66547	0.2
455.31696	0.5
467.31729	1.2
485.32840	100.0
486.33191	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	485.3283
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
59.01247	0.2
62.94944	0.2
69.59857	0.1
70.01759	0.2
70.02111	0.7
71.04971	0.1
72.34846	0.1
84.12924	0.2
91.26041	0.2
109.78864	0.1
111.17847	0.1
124.09936	0.2
150.05009	0.2
151.00302	0.2
153.44183	0.1
235.61938	0.2
455.31821	0.2
467.31940	0.4
468.31906	0.2
485.32813	100.0
486.33170	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
74.36504	0.2
84.16908	0.3
87.23318	0.2
110.74707	0.2
111.18610	0.2
139.70053	0.2
189.11089	0.2
190.95328	0.3
191.56609	0.2
191.76212	0.2
230.04993	0.3
288.46191	0.2
363.26984	0.2
365.02490	0.3
379.30249	0.3
409.31122	0.7
420.03857	0.3
431.78326	0.3
437.30667	2.4
438.30716	0.3
447.13855	0.2
455.31750	45.5
456.32077	7.6
473.42343	0.3
485.32813	100.0
486.33176	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92649	0.3
71.33679	0.4
72.78189	0.3
73.02843	0.3
75.86707	0.3
88.00945	0.3
88.47946	0.4
147.87111	0.2
217.69347	0.3
292.46133	0.3
439.32352	0.6
473.32458	0.3
485.32825	100.0
486.33167	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	486.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46975	1.0
59.01244	1.5
63.02271	1.8
65.00197	4.3
79.17383	0.8
83.01267	2.4
85.02844	1.6
98.19804	3.2
107.01292	5.4
108.02093	1.2
109.02860	1.7
121.02882	1.3
125.02386	2.3
132.42720	1.0
133.02882	1.1
133.81848	1.2
144.27402	0.8
145.02841	1.1
147.03160	1.9
149.02330	1.3
151.00301	21.6
152.00696	2.8
160.03928	2.5
161.02361	1.1
163.00304	2.5
167.03439	1.8
169.01321	2.3
170.02394	2.0
177.01964	0.9
178.99808	11.8
180.00093	2.1
183.04401	2.0
186.01814	1.0
187.02507	1.5
199.03969	4.1
201.01813	1.4
203.03508	0.9
207.75638	0.9
211.03931	1.9
214.01411	3.3
217.04926	0.9
225.05663	0.8
227.03511	6.2
228.03935	1.3
229.04919	1.6
238.05130	0.9
242.02119	1.1
243.03008	7.2
244.03375	2.6
250.04959	1.0
253.04921	1.4
255.02968	10.5
256.03418	7.6
256.05890	1.3
264.03125	0.9
265.03854	1.2
266.04630	2.5
267.03000	3.9
267.05472	1.0
268.03662	2.4
269.04510	1.4
271.02509	41.4
272.03003	22.4
273.03769	3.8
282.04224	2.4
283.02353	1.8
284.03162	2.3
285.04138	1.8
293.03329	1.3
294.04202	9.2
295.02362	6.5
296.03107	1.7
297.04068	3.6
299.02002	89.2
300.02704	25.5
300.06165	1.8
301.03275	40.2
302.03845	21.6
303.03888	3.0
307.02512	1.2
310.03543	6.5
311.01550	1.0
311.04626	1.2
312.02634	1.7
313.03625	7.4
322.03616	16.5
323.04367	13.6
324.05173	15.5
339.03879	39.8
340.04642	27.6
341.04883	2.5
419.09915	7.1
446.08649	22.7
446.13663	0.6
447.09027	2.9
448.09738	61.1
449.09937	5.1
450.10168	5.5
459.09219	0.9
486.10504	100.0
487.10760	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	486.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.3
59.01270	1.2
61.98715	100.0
62.98418	0.2
69.03334	0.2
69.31361	1.8
71.01261	0.6
72.47708	0.2
73.02847	0.3
75.00794	0.2
83.01279	0.2
85.02872	0.4
92.54430	0.2
95.04911	0.2
109.02908	0.3
113.02343	0.3
119.03512	0.2
119.04929	1.1
125.02373	1.4
130.09647	0.2
135.02911	0.4
135.04472	0.6
135.08113	0.3
137.02382	0.7
161.02409	0.3
163.03949	1.0
165.01926	0.5
165.73730	0.2
167.03458	1.1
172.51967	0.2
176.01076	0.2
177.02031	0.2
179.03511	0.5
183.13890	0.4
205.05153	0.3
221.04643	0.2
255.12454	0.4
268.03836	0.3
344.37711	0.2
364.51486	0.2
407.18692	0.3
423.18301	0.7
426.23529	0.5
433.16650	0.3
441.19501	0.4
451.17679	1.2
469.19147	0.7
469.29727	0.2
485.33630	0.2
486.33926	0.4
487.10229	0.2
487.19922	0.3
487.29822	1.2
487.35690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3065
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
54.77220	0.4
59.01259	2.3
59.23490	0.4
69.37829	1.0
69.38234	3.8
71.01272	1.0
72.01649	0.4
85.02852	0.7
89.02316	0.6
101.02338	0.5
125.02377	0.5
136.67181	0.5
190.57268	0.5
193.33365	0.4
267.15472	0.5
343.68814	0.6
451.33020	1.9
487.30646	100.0
488.31046	11.2
503.19055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
57.03325	0.5
59.01261	3.4
60.99193	0.3
61.98716	2.3
69.03297	0.3
69.77380	0.3
69.77787	1.0
71.01266	1.3
71.04910	0.3
72.83289	0.2
72.99201	0.2
73.02824	0.3
75.00735	0.3
83.01267	0.4
83.04917	5.9
85.02843	0.6
89.02323	0.9
96.95917	0.2
97.02830	0.4
97.06472	0.3
101.02326	0.6
107.04930	0.2
113.02358	0.7
116.76442	0.2
119.03413	0.5
119.04958	1.0
123.04440	0.3
125.02365	0.7
135.02878	0.4
135.04454	0.6
137.02321	0.3
151.00304	0.6
154.27589	0.2
161.02374	0.5
163.03958	1.1
167.03465	0.4
178.99785	0.6
179.03416	0.6
224.04892	0.2
225.05577	0.6
227.03529	0.4
240.04341	0.3
269.04547	0.2
282.95758	0.2
283.09814	1.0
284.03369	0.5
297.22382	0.2
299.23926	0.3
307.19159	0.3
311.09244	2.5
311.23752	0.3
312.09943	0.3
313.10822	0.3
325.01810	0.8
327.23404	1.5
339.23456	2.2
340.09705	1.3
341.03421	0.3
341.10315	3.2
342.10477	0.3
359.26184	1.2
361.25436	0.4
365.28534	0.3
369.13464	0.6
371.23587	0.3
373.25555	0.2
375.26913	0.8
377.28668	0.5
387.26993	0.3
391.26639	0.6
393.28067	0.6
403.26367	0.8
405.28033	2.9
406.28659	0.4
409.27420	0.6
415.28754	1.8
421.27591	0.6
423.29047	0.6
427.28888	0.4
430.72845	0.2
437.27045	2.9
438.27206	0.5
439.28604	0.9
443.31641	0.9
451.17688	0.3
457.29730	1.6
469.29684	20.3
470.30121	2.9
475.30475	0.4
487.16028	3.2
487.30743	100.0
488.16422	0.5
488.31076	13.9
513.29272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3077
Annotation	Camphoratin A
Peak:m/z	Relative Intensity
55.01773	0.3
57.03325	0.5
59.01261	3.4
60.99193	0.3
61.98716	2.3
69.03297	0.3
69.77380	0.3
69.77787	1.0
71.01266	1.3
71.04910	0.3
72.83289	0.2
72.99201	0.2
73.02824	0.3
75.00735	0.3
83.01267	0.4
83.04917	5.9
85.02843	0.6
89.02323	0.9
96.95917	0.2
97.02830	0.4
97.06472	0.3
101.02326	0.6
107.04930	0.2
113.02358	0.7
116.76442	0.2
119.03413	0.5
119.04958	1.0
123.04440	0.3
125.02365	0.7
135.02878	0.4
135.04454	0.6
137.02321	0.3
151.00304	0.6
154.27589	0.2
161.02374	0.5
163.03958	1.1
167.03465	0.4
178.99785	0.6
179.03416	0.6
224.04892	0.2
225.05577	0.6
227.03529	0.4
240.04341	0.3
269.04547	0.2
282.95758	0.2
283.09814	1.0
284.03369	0.5
297.22382	0.2
299.23926	0.3
307.19159	0.3
311.09244	2.5
311.23752	0.3
312.09943	0.3
313.10822	0.3
325.01810	0.8
327.23404	1.5
339.23456	2.2
340.09705	1.3
341.03421	0.3
341.10315	3.2
342.10477	0.3
359.26184	1.2
361.25436	0.4
365.28534	0.3
369.13464	0.6
371.23587	0.3
373.25555	0.2
375.26913	0.8
377.28668	0.5
387.26993	0.3
391.26639	0.6
393.28067	0.6
403.26367	0.8
405.28033	2.9
406.28659	0.4
409.27420	0.6
415.28754	1.8
421.27591	0.6
423.29047	0.6
427.28888	0.4
430.72845	0.2
437.27045	2.9
438.27206	0.5
439.28604	0.9
443.31641	0.9
451.17688	0.3
457.29730	1.6
469.29684	20.3
470.30121	2.9
475.30475	0.4
487.16028	3.2
487.30743	100.0
488.16422	0.5
488.31076	13.9
513.29272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3076
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
56.15461	0.2
57.03419	0.2
59.01041	1.1
59.01379	3.2
61.98808	0.4
70.33035	0.6
71.01033	0.3
71.01397	0.6
71.04605	0.7
71.05049	2.6
83.04612	0.3
83.05042	0.4
89.02476	0.4
90.44313	0.2
98.20445	0.2
101.02515	0.6
113.02441	0.3
119.05130	0.3
125.02515	0.3
126.14307	0.2
130.08762	0.2
135.04607	0.3
137.02573	0.2
147.04768	0.2
153.51505	0.2
179.03549	0.3
207.80560	0.2
209.12038	0.2
303.21393	0.3
307.19510	0.4
315.88910	0.2
319.24356	1.5
325.20517	0.3
334.74765	0.2
335.49625	0.2
343.24304	0.2
353.24991	0.3
361.25479	0.6
375.27084	0.4
377.28625	2.0
385.27417	0.3
395.29749	0.3
413.27148	1.1
414.27316	0.4
423.28848	0.2
425.30789	0.4
441.30505	0.3
443.31723	34.2
443.83875	0.2
444.32040	5.2
457.29868	1.3
458.04788	0.2
458.30344	0.2
487.30664	100.0
488.31006	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
59.03133	0.1
59.10548	0.1
71.57706	0.3
72.99183	0.4
76.60941	0.1
76.87579	0.1
86.17387	0.1
241.26357	0.1
262.54843	0.1
349.29456	0.2
397.30963	0.5
397.35187	0.5
405.31714	0.2
407.33411	0.8
408.33615	0.2
409.32111	0.2
413.34399	0.7
423.32675	0.2
441.33817	16.0
442.34116	1.9
443.35422	0.7
451.32239	0.5
469.33221	1.1
470.34180	0.2
487.34381	100.0
488.34729	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55113	0.2
59.01257	0.4
72.99191	0.3
90.63130	0.2
119.07988	0.2
197.44397	0.2
217.79694	0.2
338.51300	0.2
348.84967	0.2
395.33398	0.2
397.31055	0.7
397.35495	0.3
405.31824	0.2
407.33658	0.9
408.33661	0.2
413.34384	0.7
420.83548	0.2
425.34506	0.3
441.33838	17.8
442.34167	2.3
443.35150	0.5
451.32126	1.0
469.33325	0.7
476.71381	0.2
487.34393	100.0
488.34750	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	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72285	0.2
66.61377	0.2
70.90627	0.5
123.68506	0.2
169.56004	0.2
293.78876	0.2
327.26743	0.2
487.34363	100.0
488.34708	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	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05078	0.4
74.96720	0.1
93.90160	0.2
139.11008	0.2
149.15161	0.2
154.23958	0.2
157.55208	0.2
194.32872	0.1
201.80530	0.1
202.96367	0.2
227.25249	0.2
285.02225	0.2
407.29285	0.2
487.34372	100.0
488.34708	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	487.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94217	0.3
70.58134	0.3
71.04903	0.9
71.06088	0.7
85.55744	0.3
347.27954	0.3
348.06607	0.3
389.28415	0.3
407.33423	1.5
423.32700	2.1
425.34586	1.8
426.34628	0.5
427.32358	1.3
439.32312	0.9
443.35208	0.8
455.31689	0.4
469.33279	17.7
470.33621	3.0
487.34372	100.0
488.34726	14.1
513.32324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28331	0.1
55.90922	0.2
56.89507	0.2
63.91047	0.2
70.58955	0.2
70.59312	0.6
72.08253	0.2
83.51104	0.2
169.97957	0.2
333.78506	0.2
368.05621	0.2
401.02707	0.2
414.18192	0.2
487.34369	100.0
488.34705	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	487.3437
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.00769	0.1
64.18185	0.2
69.36558	1.7
70.71518	0.2
96.08028	0.2
106.02180	0.2
123.32069	0.2
234.60156	0.2
250.20448	0.2
301.45563	0.2
302.65283	0.2
344.59888	0.2
386.89008	0.2
410.16946	0.2
487.34366	100.0
488.34711	14.1
488.45151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04272	0.1
59.01260	0.8
61.98713	0.3
70.53358	0.4
70.53713	0.3
71.01260	0.4
71.04900	1.1
73.02830	0.2
83.04913	0.6
85.02840	0.7
89.02339	0.3
97.06490	0.2
101.02377	0.2
109.02861	0.1
112.41258	0.1
113.02354	0.2
161.02443	0.2
214.60757	0.2
255.96190	0.1
266.62653	0.2
335.24271	0.2
371.29910	0.3
375.26804	0.3
391.30295	0.2
393.00299	0.1
393.32123	0.3
405.31921	0.5
407.28772	0.2
407.33527	1.8
407.38635	0.2
408.33670	0.2
414.02499	0.2
415.28979	0.3
421.31976	0.2
423.32883	0.8
425.34668	1.4
426.34918	0.2
427.32272	1.7
439.32474	0.6
443.35452	0.6
451.32486	0.2
455.31805	0.5
467.31854	0.3
469.33420	14.1
470.33722	1.6
487.34506	100.0
488.34897	12.8
513.32391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66718	0.1
56.69530	0.1
58.73363	0.1
59.01254	0.3
71.01286	0.1
71.04905	0.2
71.29918	0.3
73.02834	0.1
80.33251	0.1
80.64082	0.1
82.95197	0.1
84.68521	0.1
97.06473	0.2
98.78388	0.1
99.60508	0.1
100.17097	0.1
109.06458	0.1
137.16953	0.1
140.64790	0.1
140.66092	0.1
197.50900	0.1
205.16006	0.2
258.88303	0.1
395.29504	0.3
409.31458	0.2
423.32782	0.5
425.34473	0.5
427.28687	0.1
439.28305	0.3
441.33795	0.4
443.31311	1.1
469.29742	0.4
487.34454	100.0
488.34845	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	487.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.2
60.99189	1.0
69.03343	0.2
71.34975	0.2
73.02835	0.2
83.04896	0.1
89.65032	0.1
109.06483	0.2
118.78832	0.1
194.05176	0.1
205.16016	0.7
242.40128	0.1
289.15933	0.1
291.19849	0.1
334.22998	0.1
335.23874	0.2
347.24005	0.1
351.26987	2.3
352.27307	0.3
352.80811	0.2
377.28708	0.6
378.28940	0.1
385.27625	0.3
391.30084	0.3
393.31818	0.5
395.25681	0.2
399.29120	0.3
401.27029	0.5
407.28717	0.2
407.33405	2.9
408.33798	0.5
423.27585	0.1
423.32846	0.6
425.34647	1.5
428.44751	0.1
439.31863	0.3
441.33774	0.5
469.33545	1.6
470.33585	0.3
487.34430	100.0
488.34769	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	487.344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07273	0.1
52.39281	0.1
55.68563	0.1
56.35396	0.1
57.03333	1.1
58.00477	0.1
59.01252	0.5
61.98700	0.2
69.03333	0.3
71.04910	0.6
71.56023	0.2
83.04896	0.2
94.91417	0.1
95.04951	0.2
96.95928	0.1
97.02845	2.4
113.05992	0.3
128.65036	0.1
205.15994	0.5
264.87744	0.1
287.20355	0.1
288.11285	0.1
305.21423	0.6
321.22229	0.1
383.25958	0.4
389.28870	0.1
393.31833	0.2
395.29752	0.2
399.25174	0.1
405.27747	0.2
407.29501	0.3
409.31079	0.5
421.31528	0.6
423.33200	0.2
425.30652	0.6
427.32242	1.5
428.32730	0.3
439.28287	0.3
441.33804	0.2
443.35263	0.5
451.32315	0.4
452.32245	0.1
467.32269	0.2
469.33417	2.7
470.33670	0.4
487.34402	100.0
488.34769	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67659	0.1
59.01258	0.3
61.98681	0.1
69.43028	0.1
71.01270	0.2
71.58923	0.1
72.99158	0.1
83.04924	0.1
85.02854	0.1
97.02844	0.1
114.93017	0.1
125.02341	0.1
131.14539	0.1
143.35735	0.1
199.09776	0.1
202.34985	0.1
207.10269	0.1
375.71417	0.1
389.28085	0.1
407.29486	0.2
409.31360	0.1
425.30545	0.1
443.31802	0.4
469.29962	0.1
487.34387	100.0
488.34760	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.1
59.01250	0.4
71.01247	0.1
71.14226	0.2
85.02853	0.1
88.73991	0.1
93.08691	0.1
94.35458	0.1
111.42311	0.1
194.74828	0.1
238.66785	0.1
326.57025	0.1
353.28824	0.1
369.14731	0.2
377.28464	0.1
443.31577	0.2
487.34393	100.0
488.34735	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39198	2.8
58.44763	3.5
59.01257	16.6
65.00217	5.1
65.28384	3.6
65.99744	5.5
68.14314	3.5
70.16111	10.3
71.01268	5.0
73.02826	4.2
83.01279	6.2
87.70375	2.8
93.03365	11.0
95.01264	3.2
98.20515	3.8
107.01299	14.5
109.02868	7.5
117.03395	3.1
121.02879	9.0
123.00816	10.6
123.04434	3.6
124.01573	6.1
125.02333	7.0
132.02118	12.9
133.02899	3.8
134.02403	11.0
134.03613	6.0
137.02365	35.3
143.05048	3.2
145.02766	3.4
146.02350	4.8
149.02396	5.1
151.00319	44.4
151.03961	4.3
152.01091	3.4
158.02324	4.3
162.01880	23.3
163.00328	9.7
164.03505	39.4
167.03366	3.9
169.01387	7.5
171.04437	3.3
172.03943	4.0
176.01054	3.4
177.01881	44.8
178.99837	22.8
186.01936	16.7
190.01440	10.1
192.00627	4.7
193.01337	3.8
201.05469	5.1
203.00072	3.5
203.02184	8.7
204.03032	27.4
211.03987	6.0
227.03514	19.0
229.05121	5.2
230.01115	5.3
239.03580	4.3
243.03015	8.8
250.05072	3.0
255.03006	35.8
256.03595	7.2
256.06155	5.8
257.04544	7.1
269.04614	38.9
270.04037	5.8
271.02527	9.8
272.03296	8.5
278.04565	5.1
279.02985	11.8
279.08905	7.8
280.06247	5.6
283.02533	19.2
284.03253	17.2
284.06000	4.9
285.03967	9.5
294.04065	7.5
297.04126	14.2
298.04788	4.0
299.04404	4.8
300.02383	16.0
300.05624	6.9
301.03629	90.6
302.04031	7.3
306.04065	27.9
323.04480	33.3
323.07880	5.4
324.05124	66.7
325.05695	5.1
340.04620	4.8
341.05457	38.7
342.06125	26.8
344.42514	3.4
350.08722	4.5
368.09903	21.7
394.07959	5.9
426.23715	3.7
430.09146	7.8
447.09442	18.9
470.10922	17.4
488.12045	100.0
489.12518	15.5
489.23318	4.8
506.99869	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	488.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62463	0.4
59.01262	2.6
61.98681	1.0
65.81854	0.4
71.01247	0.7
71.04600	0.7
72.99175	0.3
73.02789	0.4
75.00744	0.7
78.95390	0.5
78.95790	7.2
83.04829	0.4
101.02342	0.9
119.04902	0.5
133.02895	0.6
140.01115	3.3
148.08844	1.1
150.10434	0.5
151.11179	0.7
152.99477	1.2
163.11195	1.2
165.12791	21.0
166.13142	0.9
175.11252	0.5
176.11990	0.6
181.87772	0.4
191.14323	0.7
196.03761	1.5
214.04834	5.2
217.16043	0.7
230.09308	0.4
247.20691	12.0
248.20920	0.9
251.16418	0.4
273.18643	5.8
291.19711	100.0
292.20038	7.8
309.15109	0.8
353.13962	1.3
371.14969	1.8
393.28094	1.1
395.29706	0.5
467.34848	0.4
470.30106	0.6
471.31204	1.1
487.34720	0.9
488.24387	22.9
488.31384	4.6
489.24994	2.1
489.32257	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	489.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
59.01265	3.4
61.98716	0.4
69.37701	1.7
71.01270	1.3
71.04903	0.3
72.99194	1.1
73.02834	1.0
75.00765	12.6
76.01105	0.2
83.01295	0.2
85.02856	0.3
87.00775	0.7
89.02341	2.2
99.00787	0.4
101.02372	0.4
113.02360	0.2
117.01854	1.0
122.80023	0.2
125.02370	0.4
135.02922	23.2
136.03215	0.4
137.02400	0.3
167.03380	0.2
171.04453	0.2
172.05212	1.2
183.04468	0.6
185.06067	0.4
196.05284	1.4
197.06052	4.7
198.06674	0.6
199.03935	0.2
199.07616	0.4
204.04117	0.2
209.06134	0.2
211.07616	1.9
225.05681	0.2
225.09239	0.3
227.07104	0.3
241.05104	3.1
242.05522	0.2
251.07175	0.3
253.12315	0.3
265.15991	0.9
266.16739	0.2
281.15598	1.4
283.17084	2.4
284.17831	0.2
291.13904	0.5
307.13528	0.5
309.15024	45.3
310.15356	4.5
323.16580	0.4
323.38754	0.2
327.16083	12.4
328.16382	1.4
353.14017	53.6
354.14346	5.8
367.15686	0.4
371.15063	100.0
372.15402	9.6
372.20197	0.4
379.29971	0.4
385.16495	0.3
407.29691	2.3
427.17804	0.5
427.32315	1.6
443.31924	0.3
445.26050	0.5
445.33353	0.3
471.31302	1.1
489.17822	15.7
489.25912	1.4
489.32471	13.5
490.18076	2.1
490.32791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87031	0.4
56.47565	0.5
57.03334	1.5
58.00471	1.3
59.01266	39.8
61.73078	0.4
61.98707	1.6
69.03340	0.5
69.38285	4.3
71.01273	19.2
72.99203	2.6
73.02834	1.8
75.00768	0.7
76.33562	0.4
83.01279	1.5
85.02850	6.4
87.00756	1.1
89.02341	15.2
95.01272	2.3
97.02848	0.6
99.00794	0.8
99.04456	0.7
101.02345	10.7
113.02367	6.5
113.70882	0.4
114.07751	0.4
115.85153	0.5
119.03433	4.5
123.04379	0.5
125.02358	1.9
135.02927	0.8
135.04410	0.5
137.02388	0.8
149.89731	0.4
155.10732	0.6
160.57581	0.5
161.02353	0.5
161.04498	1.6
163.11261	0.8
165.12804	2.0
171.10182	1.8
179.03464	0.7
179.05443	0.8
181.12279	0.8
183.13824	0.8
197.12102	0.5
198.52785	0.4
203.71893	0.5
203.99713	0.5
209.11830	1.3
211.13399	2.7
221.11810	0.5
227.12825	0.6
229.14490	2.2
247.20702	1.9
273.18826	0.7
291.19720	12.2
292.20059	0.9
309.15073	0.9
309.20746	6.9
310.21231	1.0
327.21808	4.1
343.04578	0.5
353.14111	1.0
367.30334	0.5
371.14938	1.6
377.28705	0.5
382.24213	0.5
395.29526	1.8
407.29382	2.2
427.32236	1.6
429.24908	1.5
439.28604	0.9
443.31616	1.4
459.31134	0.8
471.31372	2.1
472.31369	0.6
489.27072	100.0
489.32547	17.8
490.27072	13.2
490.32947	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	489.3231
Annotation	Homaline
Peak:m/z	Relative Intensity
54.36227	0.4
57.03328	0.4
57.42493	0.2
58.00478	0.2
59.01268	4.8
61.98705	0.6
64.72057	0.1
70.43858	0.5
71.01262	2.8
71.04903	1.0
72.99182	0.4
73.02836	0.7
73.97611	0.1
75.00776	0.5
75.81460	0.1
79.71619	0.1
83.01279	0.2
83.04918	0.3
84.47630	0.2
85.02847	1.0
89.02338	1.2
95.01301	0.2
95.04925	0.3
97.02884	0.3
99.00795	0.2
99.04428	0.3
101.02351	1.7
109.02834	0.2
111.04434	0.2
113.02378	0.8
119.03434	0.5
119.04916	0.2
125.02389	0.4
135.02916	0.9
135.04457	0.3
137.02446	0.2
153.45935	0.2
155.10762	0.2
161.04526	0.6
163.03947	0.4
165.12851	0.3
171.10205	1.0
173.85356	0.2
175.11304	0.2
177.60696	0.2
179.10768	0.2
189.12793	0.2
194.85988	0.2
197.11836	0.2
208.99174	0.2
209.11868	0.4
211.13390	1.2
216.23920	0.2
227.07233	0.7
229.14461	1.2
291.19827	0.7
305.54547	0.2
309.15063	1.2
309.20877	0.6
327.16153	0.3
327.18005	0.2
327.21823	2.0
335.02585	0.2
349.25592	0.4
353.13947	1.5
361.25470	0.3
363.27014	0.4
365.28601	0.5
367.30188	0.7
371.15097	2.4
372.15039	0.2
373.25623	0.2
377.24469	0.2
377.28781	0.8
379.30069	1.0
387.26981	0.2
389.28781	0.5
393.28122	0.7
395.25363	0.2
395.29785	2.9
396.29919	0.4
397.31253	0.5
405.28094	0.7
407.29678	5.6
408.29892	0.7
409.27490	0.2
411.28989	0.4
421.27759	0.2
423.29095	0.4
425.30704	0.9
427.32373	3.2
428.32407	0.4
429.30295	1.1
439.28604	2.5
441.30341	0.3
443.31772	2.4
444.32117	0.2
445.33337	0.6
459.31192	1.5
471.31262	9.0
472.31552	1.3
489.32471	100.0
490.32822	13.3
490.40134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3232
Annotation	Homaline
Peak:m/z	Relative Intensity
57.03316	0.3
59.01258	2.1
64.24909	0.2
69.40463	0.5
69.40871	1.5
71.01241	0.7
71.04916	1.2
73.02815	0.5
75.00717	0.3
78.95757	0.3
85.02821	0.3
89.27305	0.3
98.19778	0.3
101.02277	0.3
135.02858	0.5
144.13293	0.3
204.31372	0.2
309.14865	0.4
361.25281	0.5
363.26718	0.3
371.14813	1.0
379.29816	1.0
405.27820	1.3
407.29648	3.5
408.29791	0.4
423.29013	0.6
425.30859	1.3
427.32431	1.4
429.30029	1.4
439.28326	0.4
441.30530	0.3
445.33569	1.3
471.31256	16.6
472.31589	2.4
473.28317	0.2
488.34680	2.0
489.32184	100.0
490.32593	12.6
490.40677	0.5
490.41830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48027	0.2
59.01263	3.3
61.98724	0.5
69.52000	1.9
71.01273	0.5
71.04927	1.4
73.02818	0.3
75.00755	0.5
87.00762	0.4
89.02337	0.4
91.28860	0.2
92.24220	0.2
101.02405	0.3
121.02881	0.7
125.02377	0.3
134.81090	0.2
135.02921	0.8
169.67436	0.2
171.10272	0.3
178.02467	0.3
179.50208	0.3
193.76527	0.2
209.11835	0.2
215.07071	0.3
279.28964	0.3
283.02539	0.7
309.15112	0.6
313.43167	0.3
327.16330	0.3
353.13968	1.1
359.27606	0.4
363.26965	0.8
371.15106	2.1
379.30054	0.5
389.24710	0.3
393.28036	0.6
395.29333	0.3
405.27975	1.3
411.28693	0.4
423.28928	0.5
427.32584	0.3
429.30133	1.4
439.28555	0.5
457.29263	0.4
471.31247	15.5
472.31763	1.6
489.32327	100.0
490.32663	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3231
Annotation	Homaline
Peak:m/z	Relative Intensity
53.52832	0.1
57.03321	0.4
59.01256	0.7
66.32526	0.1
69.93944	0.6
71.01257	0.4
73.02831	0.6
78.56593	0.1
78.95780	1.4
81.24146	0.1
83.04934	0.2
96.95887	0.4
96.96903	0.1
98.19830	0.2
113.09634	1.4
125.99966	0.1
139.11221	0.2
140.01112	0.2
152.99475	0.3
157.50436	0.1
179.10728	0.2
195.13777	0.2
214.04855	0.3
221.90758	0.1
237.14970	0.2
241.70923	0.1
249.22322	0.3
275.20102	0.2
293.21274	9.4
302.79022	0.2
389.28506	0.2
402.50015	0.1
423.30252	0.1
427.31821	0.2
443.31821	0.3
471.31537	0.3
489.32254	100.0
490.25772	2.3
490.32468	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	490.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16041	0.2
57.03334	0.3
58.94046	0.2
59.01266	1.5
59.47323	0.2
61.98715	0.2
65.91766	0.3
69.03329	0.3
70.94740	0.5
70.95116	0.5
71.01244	0.2
75.91180	0.2
76.21050	0.2
78.95792	9.8
95.04918	0.4
97.06516	0.3
108.09135	0.2
111.08038	0.6
113.09609	0.5
122.00053	0.4
140.01123	4.4
152.99538	1.0
167.10727	0.3
179.14342	1.1
181.12271	0.4
195.13872	10.2
196.03770	2.1
196.14552	1.1
205.12370	1.0
205.15968	0.6
211.13335	0.7
214.04849	5.7
223.13394	8.9
224.13815	0.4
228.13719	0.9
228.47906	0.2
231.21199	0.5
256.13278	1.5
265.21811	0.6
275.20187	4.7
276.20700	0.3
293.21280	100.0
294.21600	7.7
332.92816	0.3
489.35068	2.2
490.25864	32.8
490.34354	2.5
491.15616	0.3
491.26071	3.1
491.32742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0843
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
55.01760	0.6
57.03325	1.2
59.01262	23.8
61.98712	3.3
65.00237	0.8
69.03354	0.6
69.36323	1.7
69.36743	3.2
69.50655	0.5
71.01270	4.8
72.99195	1.2
73.02829	2.5
75.00763	3.5
83.01277	1.2
83.08383	0.5
85.02837	2.1
85.06496	0.5
87.00757	0.6
87.04416	5.1
89.02335	4.6
90.23512	0.6
93.03345	0.6
93.61819	0.4
95.01260	1.1
96.95923	1.5
98.20528	0.8
99.00771	0.9
99.04436	0.5
101.02335	4.9
108.02071	1.5
109.02834	1.6
113.02348	3.7
119.03418	1.2
119.04937	1.4
123.04429	1.3
125.02370	2.1
127.16917	0.5
134.03667	0.6
135.00775	1.4
135.02867	1.4
135.04431	2.6
137.02376	1.6
141.03433	0.7
142.01869	0.5
145.02892	1.4
149.04463	0.7
150.03157	0.5
151.00305	2.2
152.01140	1.0
153.01848	1.1
157.02872	1.6
159.00746	0.9
161.02315	1.0
161.04517	1.4
163.03932	1.1
167.03481	0.7
169.02911	1.8
173.02460	0.6
174.03152	0.7
175.03838	0.5
176.01050	1.2
177.01898	0.7
178.99966	0.8
179.03453	1.9
179.05603	0.8
185.02415	5.6
187.00371	0.9
187.03911	1.2
188.01295	0.6
188.04678	1.3
189.01901	2.4
193.01454	0.6
197.02475	1.0
199.03900	0.8
200.01047	0.7
201.01915	15.1
202.02621	2.4
213.02011	3.2
214.02654	1.5
215.03334	0.7
216.00618	0.7
217.01358	1.3
225.11366	0.7
225.18587	0.6
227.03540	0.7
229.01431	58.9
230.02029	5.1
231.02888	0.8
232.03906	0.5
241.01488	3.8
245.01056	0.7
245.04573	1.9
246.01721	0.6
247.40205	0.5
257.00946	10.8
258.01593	2.0
260.03241	2.6
269.17633	14.5
272.03348	1.3
273.04150	1.0
285.00458	54.3
286.00928	3.5
287.02060	0.7
288.02853	8.6
289.03497	1.9
299.02090	1.0
300.02701	0.5
301.03616	1.2
311.09375	1.2
316.02274	9.9
317.03015	3.0
327.01276	0.7
329.14047	1.1
344.01776	37.2
345.02548	45.2
346.02789	3.0
357.02545	1.0
370.13718	0.7
373.25949	0.9
387.03647	1.0
431.22876	2.0
473.29166	0.7
490.32690	2.0
491.08405	100.0
491.27640	3.8
492.08734	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1208
Annotation	Myricetin 3',4'-dimethyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
52.96063	0.6
57.03339	0.8
58.00468	1.7
59.01263	45.0
61.98700	2.0
63.10912	0.6
64.07644	0.5
69.57582	4.6
71.01269	27.9
72.99200	3.6
73.02833	1.3
75.00773	0.9
83.01277	1.3
85.02837	3.7
87.00739	1.0
87.04364	0.6
89.02334	46.2
90.02657	1.1
93.03362	0.6
95.01283	0.7
96.95893	1.6
98.20521	1.3
99.00773	0.9
101.02342	6.4
105.39781	0.7
107.01285	1.7
109.02808	0.8
113.02356	6.3
119.03383	2.3
119.04911	0.7
121.10120	0.9
123.04477	0.8
125.02349	1.1
130.72900	0.6
131.03442	5.6
135.02887	1.2
135.04454	4.4
137.02367	0.9
143.03419	0.7
145.02867	1.2
149.04509	7.9
151.00287	4.1
152.01057	0.9
153.01840	1.1
161.04483	1.3
163.03937	0.9
165.09184	0.7
177.01932	0.7
178.99734	0.8
179.03545	0.7
179.05554	1.1
181.05045	0.7
202.02629	1.8
212.53105	0.6
213.01910	2.3
214.02689	1.1
215.03316	0.7
223.09808	0.9
224.04707	1.8
227.10698	0.6
230.02242	5.7
231.02818	0.9
238.06465	1.3
239.10619	0.8
241.01421	9.1
242.02213	22.6
243.02925	5.3
251.07315	0.7
252.04306	0.8
253.08893	0.9
255.10304	3.9
257.00903	2.1
258.01730	18.8
259.02365	3.5
266.05960	2.0
269.01004	3.7
269.11871	1.4
270.01730	10.4
270.12723	1.4
271.02548	4.0
272.03256	4.9
273.04108	25.0
274.01349	1.4
274.04486	1.5
275.97122	0.6
281.08078	0.6
282.08896	0.7
283.09814	20.3
285.00467	0.7
285.03989	1.2
286.01242	15.6
287.01996	5.4
287.05655	8.7
288.05981	0.9
294.09113	1.1
295.09702	3.1
296.10632	1.6
297.11368	1.0
298.01163	1.4
298.12051	3.0
299.02039	1.6
300.02847	1.7
301.03589	21.2
302.04022	2.2
309.11337	1.4
310.12161	1.8
311.09317	45.9
312.09561	3.7
314.00806	1.9
315.01532	10.1
315.05194	3.6
316.02188	0.9
316.05807	6.0
325.10776	4.8
326.11649	26.1
327.11993	1.9
329.03085	30.0
330.03790	11.6
331.04349	0.9
341.13980	63.9
342.10748	0.7
342.14374	4.1
344.05411	49.4
345.06183	50.8
346.06573	4.2
359.14996	0.9
387.07181	0.9
431.22971	1.4
491.12061	100.0
491.20581	3.6
491.28357	3.5
492.12347	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	491.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07832	0.5
55.01764	1.2
57.03336	4.5
57.77708	0.5
58.00448	0.5
59.01264	16.0
62.19102	0.4
68.99709	1.0
69.03329	1.0
71.01268	16.7
72.01608	0.6
72.99193	4.0
73.02836	16.0
75.00369	0.7
75.00762	11.1
83.01252	1.3
85.02843	15.6
87.00775	5.9
89.02335	6.0
93.03345	1.1
95.01283	3.0
96.95915	6.7
96.96871	0.6
98.02357	1.0
98.20577	0.9
99.00787	6.3
100.26147	0.4
101.02351	3.7
103.00269	1.6
111.00801	0.8
113.02354	21.9
114.02705	0.5
115.00259	1.4
117.01823	1.5
119.03389	1.0
121.06519	5.2
123.08052	2.6
125.02335	0.6
127.59563	0.5
129.01839	1.5
133.02856	0.5
134.03654	0.6
135.02921	3.6
135.11693	1.0
149.02402	2.9
149.04462	0.9
149.06003	3.4
150.03157	0.7
161.04543	0.6
161.09631	2.0
167.07104	1.4
175.02390	1.5
179.05565	0.7
179.10747	2.1
197.11740	0.9
200.40181	0.4
205.07085	0.6
207.05101	0.9
223.09697	0.7
231.05095	0.6
236.49850	0.5
249.06178	8.7
267.07260	34.2
268.07578	1.3
315.14609	2.1
329.13971	1.0
411.40585	0.5
417.13950	1.3
429.17657	1.6
431.22989	1.2
453.24686	0.5
473.16623	1.2
491.17850	100.0
492.18222	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	491.1931
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01780	1.2
57.03339	1.3
58.00476	1.6
59.01262	29.7
71.01267	20.3
71.45929	0.9
72.99210	1.9
73.02826	3.1
75.00758	0.6
77.79427	0.6
78.10426	0.5
78.23331	0.6
83.01291	1.4
85.02839	5.3
89.02335	15.5
99.00787	0.8
101.02333	4.4
106.83954	0.5
108.02054	1.0
109.02859	10.1
113.02335	3.2
119.03439	0.6
123.04415	2.4
131.03416	1.2
135.02824	0.9
135.04459	0.7
137.02380	0.7
149.04495	1.0
159.04494	3.8
161.04466	1.0
164.80345	0.6
172.05217	3.2
173.06012	4.7
178.97514	0.6
179.05583	0.7
187.07663	2.9
189.05510	2.4
190.06288	1.2
191.07098	1.0
201.05411	0.7
203.07088	1.4
205.08673	1.4
241.05023	6.3
242.05867	0.6
251.07149	0.7
253.05092	1.6
253.95152	0.6
255.06641	4.4
267.06665	1.4
268.07407	2.0
268.10068	0.6
269.08182	0.9
269.17737	0.6
280.07462	1.7
281.08286	3.7
283.09851	1.4
293.08243	0.8
295.09763	6.1
296.10565	2.3
298.08405	1.0
299.09283	5.4
300.02237	0.8
311.09369	6.9
311.12650	0.8
312.09845	1.1
313.10812	9.2
314.10974	0.7
325.10889	1.3
326.11661	7.7
327.12308	1.4
329.10315	2.8
341.13983	13.7
342.14081	0.7
343.11731	1.7
344.12695	24.9
345.13126	2.0
359.15057	76.5
360.15448	7.4
404.22290	0.6
431.22940	1.3
491.19296	100.0
492.19577	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	491.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.9
57.03332	1.8
58.00477	2.0
59.01267	45.8
59.33316	0.3
60.01601	0.5
61.98730	1.4
69.84472	1.7
71.01271	25.6
72.99184	2.8
73.02847	3.3
75.00787	1.3
82.59627	0.3
83.01277	1.8
85.02849	7.2
85.03362	0.4
87.00781	1.4
89.02344	18.4
91.01791	0.8
96.95941	1.6
99.00820	1.1
101.02350	4.0
105.77305	0.3
108.02101	1.5
109.02866	14.1
113.02358	2.9
119.03447	1.3
120.99598	2.3
121.02895	0.4
123.04456	3.9
124.01677	0.4
125.02385	0.9
129.01894	0.6
131.03438	1.3
135.02936	2.3
135.04475	1.3
137.02422	0.8
141.30118	0.4
143.03462	0.4
144.05807	0.5
147.04465	0.4
149.04445	0.9
151.00288	0.5
153.01955	0.4
158.03793	0.4
159.04459	5.8
160.04872	0.6
161.04538	0.6
161.05962	0.5
167.14822	0.4
171.04507	1.1
172.05270	4.7
173.06035	6.6
177.05563	0.4
185.06076	0.4
187.07591	4.7
189.05559	3.8
190.06354	1.2
191.07109	2.1
201.05644	1.1
202.06401	0.5
203.07170	2.1
205.08745	0.8
207.13925	0.4
213.05536	0.6
217.08740	0.4
225.05707	0.7
225.74258	0.4
227.03461	0.5
240.04355	1.8
241.05096	9.3
242.05568	0.8
243.06834	0.4
253.05005	2.6
253.08809	0.7
255.06660	5.5
256.07184	0.7
264.08054	0.5
265.08945	0.6
267.06735	2.5
267.09949	0.7
268.07516	3.3
269.08136	2.2
271.02515	0.4
271.09448	0.4
279.06787	1.2
280.07370	2.1
281.08237	4.2
282.08844	1.1
283.09705	2.8
293.08432	0.5
295.09827	9.0
296.10498	3.8
297.11295	0.8
298.08472	1.3
299.09357	5.8
299.12686	0.7
300.02554	0.7
300.09705	0.9
308.10760	0.5
309.11475	0.5
310.08496	0.7
311.09390	8.8
311.12900	1.1
312.09863	1.2
313.10880	12.1
314.11267	0.9
317.03027	0.4
325.10992	1.4
326.11682	9.8
327.12189	1.9
329.10388	4.0
341.09824	0.6
341.14020	12.2
342.14380	0.9
343.11951	1.8
344.12732	32.1
345.13071	3.2
355.08105	0.4
359.15094	89.1
360.15451	8.5
389.21762	0.6
413.22351	0.4
431.22726	1.1
433.08133	0.5
461.18387	1.0
473.18326	1.1
476.17148	0.7
491.19339	100.0
492.19666	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	3.3
58.00753	0.6
59.01260	71.2
60.01591	0.7
61.98700	2.3
66.57433	0.6
70.48508	2.5
71.01265	43.7
72.98844	0.7
72.99181	4.4
73.02832	1.0
75.00759	1.9
80.97623	0.6
85.02841	5.3
87.00747	0.8
89.02331	74.5
90.02637	0.8
96.95913	1.2
101.02340	5.4
109.01704	0.6
109.02893	0.8
113.02362	6.8
119.03401	2.5
125.02320	0.9
125.34718	0.7
131.03419	9.6
135.04414	1.9
137.02399	1.0
145.02878	3.0
149.04477	10.2
151.00307	2.5
152.01082	1.1
161.02406	0.7
167.03439	1.6
169.01387	0.7
178.99916	0.7
180.07838	0.9
202.02695	1.1
203.03404	1.1
204.84253	0.8
213.01965	1.3
223.09689	0.9
224.04724	2.5
225.09125	1.0
230.02220	4.4
238.06337	2.6
239.06985	0.9
239.10722	1.7
241.01462	5.2
241.08711	1.7
242.02217	14.1
243.02998	4.0
250.06145	0.9
251.07124	0.8
252.04311	1.0
254.09476	1.8
255.10335	7.3
257.00977	1.8
258.01724	13.7
259.02371	2.7
266.05817	2.7
267.10156	1.2
269.00949	2.4
269.11841	3.5
270.01761	7.8
270.04886	1.3
270.12653	2.7
271.02551	3.1
272.03314	3.3
273.04092	17.1
274.01556	0.8
274.04507	1.6
280.07358	0.7
281.08093	0.9
282.09085	1.2
283.09805	38.1
284.10086	3.7
286.01193	10.0
287.01901	3.4
287.05640	4.9
293.08206	1.0
294.08893	3.2
295.09787	4.4
296.10510	3.5
297.11230	2.0
298.01337	1.1
298.12213	3.8
299.01828	1.4
300.02728	1.1
301.03564	14.7
302.03827	1.0
309.11288	1.2
310.08655	1.5
310.12024	1.9
311.09293	82.0
312.09686	7.5
314.00626	1.0
315.01489	7.1
315.05118	2.3
316.02399	1.0
316.05933	4.6
325.10928	7.5
326.11627	47.3
327.11969	4.2
329.03082	19.0
330.03836	8.3
341.10510	4.4
341.13974	100.0
342.11295	0.9
342.14468	8.0
344.05420	29.7
345.06149	32.1
346.06610	3.0
379.91202	0.9
431.22766	2.2
432.23392	0.7
491.12018	60.9
491.28030	4.7
492.12210	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	491.1933
Annotation	Schizandriside
Peak:m/z	Relative Intensity
55.01775	0.6
57.03340	2.3
58.00483	3.4
58.71221	0.5
59.01262	80.3
60.01586	0.7
61.98711	5.0
71.01266	63.0
72.01588	0.8
72.99207	4.0
73.02837	1.0
75.00753	1.1
76.56481	0.6
83.01295	1.4
85.02841	5.9
87.00790	0.7
89.02333	96.0
90.02666	1.0
93.03345	0.7
98.19803	1.1
99.04433	1.9
101.02339	8.8
108.02095	3.4
109.02864	5.6
112.82969	0.5
113.02348	11.5
118.76597	0.5
119.03409	3.6
121.02872	6.5
122.03672	3.3
123.04417	4.2
125.02342	0.8
131.03423	14.0
135.04475	1.0
136.05159	1.1
137.02359	1.0
145.63751	0.6
146.03618	1.2
147.04466	0.7
147.93126	0.6
149.04500	18.6
150.03157	0.9
150.04892	0.6
158.03650	1.2
159.04439	7.0
160.05240	15.6
160.06503	1.1
160.74339	0.5
161.02354	1.4
161.06041	4.2
162.03180	1.2
162.06732	0.6
162.97479	0.7
164.04626	0.5
171.04471	1.7
172.05238	8.4
173.06009	6.9
174.06541	0.7
175.03946	1.3
175.07600	6.1
177.05533	1.0
178.06354	0.7
187.07547	3.9
189.05539	17.2
189.09064	0.7
190.06305	18.9
191.06761	1.3
202.06212	1.0
203.07166	1.8
204.07942	1.4
205.08681	19.6
221.92877	0.6
253.08685	0.9
265.08673	0.8
266.05862	0.9
279.10098	0.8
281.08206	5.3
293.08258	0.8
295.09753	2.0
296.10565	10.8
297.10867	1.0
308.10464	0.8
310.08582	1.2
311.09564	1.5
311.12930	14.3
312.13242	1.4
323.12939	1.0
326.11615	1.8
329.13950	4.7
341.13983	100.0
342.14297	9.3
349.57321	0.6
428.16281	1.0
461.18265	1.7
473.18167	1.5
491.19315	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	491.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
58.18274	1.0
59.01264	100.0
60.01582	1.2
64.77287	0.9
70.00723	0.9
71.01268	12.1
71.32861	1.7
72.99198	3.5
73.02847	3.2
75.00768	2.7
83.01278	1.3
85.02843	4.9
87.00798	1.2
87.04456	1.1
89.02342	6.3
93.01932	1.0
95.01305	1.2
96.95921	2.8
99.00794	2.1
101.02341	9.8
107.01325	1.2
109.02820	1.2
113.02379	6.7
119.03437	2.3
120.99584	2.6
121.02860	1.5
125.02377	1.3
135.02986	1.1
135.04395	2.0
135.98267	1.0
143.03403	1.3
151.00330	2.6
159.02892	1.0
161.04529	4.1
178.99872	1.2
179.03481	1.1
179.05652	1.4
229.01434	0.9
234.01112	0.9
234.16701	0.9
243.03084	1.4
255.02844	1.5
257.00983	3.5
271.02567	4.0
285.00354	1.9
300.02942	4.8
301.03552	4.7
309.19275	1.0
326.00864	1.5
328.02255	4.3
329.03006	4.2
344.01978	1.7
345.02408	2.1
359.15085	1.9
371.20749	5.0
388.30948	0.9
389.21927	12.2
431.23013	14.2
432.23074	1.5
491.08582	16.5
491.19174	4.2
491.30493	2.7
492.08530	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2876
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01772	0.8
57.03333	1.3
58.00464	1.0
59.01265	24.8
61.98702	0.8
63.39079	0.3
71.01272	15.2
72.99187	1.8
73.02827	1.6
75.00759	0.5
83.01273	1.5
83.04899	0.3
85.02840	4.5
87.00773	1.1
89.02339	8.9
95.01286	0.9
96.95879	0.3
99.00758	0.6
99.08079	0.6
99.90814	0.3
101.02348	8.3
113.02355	4.4
114.02689	0.3
119.03433	2.4
119.04863	0.4
125.02331	0.5
125.09663	0.7
127.11219	0.5
135.02901	0.5
135.04433	0.3
139.11179	0.3
163.11189	0.5
171.10262	0.9
183.13870	0.6
193.12340	0.6
197.06248	0.3
209.11798	0.5
211.09474	0.3
211.13397	5.6
212.13792	0.4
229.14449	3.6
229.40677	0.3
229.43236	0.3
249.22298	0.5
250.76552	0.3
287.22375	2.2
293.21301	8.4
294.21609	0.9
311.22342	4.1
329.23395	8.3
330.23520	0.6
358.23355	0.3
371.20703	0.3
409.64905	0.2
422.02203	0.3
431.26813	1.3
449.27710	2.5
450.28210	0.4
471.40488	0.3
473.27991	0.6
475.48886	0.3
491.28674	100.0
492.29025	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	492.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01265	1.5
69.05616	0.2
70.33594	1.0
78.95792	15.2
84.61884	0.2
96.96849	0.9
97.06477	0.3
98.19873	0.4
113.09637	1.9
121.99997	0.4
136.91045	0.3
140.01117	2.9
152.99509	2.3
171.00591	1.5
177.12755	0.6
179.14348	1.6
181.12302	0.8
195.13878	18.4
196.03780	2.2
196.14230	0.9
209.11617	0.3
214.04834	4.4
218.06186	0.2
234.20544	0.3
264.42615	0.3
264.45834	0.3
277.21783	16.3
278.22058	1.4
295.22827	100.0
296.23157	8.7
468.30713	0.3
492.27414	35.1
493.27695	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	493.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24394	0.4
59.01263	5.8
61.98712	0.7
63.02245	0.4
65.85604	0.4
69.24973	0.3
70.86948	0.8
71.01275	3.1
72.99205	1.2
73.02854	0.6
75.00776	0.4
85.02849	0.8
87.00763	0.9
88.98695	0.5
89.02330	3.4
93.03374	0.6
96.95934	0.5
97.02841	0.8
101.02348	1.9
105.01858	0.4
113.02364	1.3
119.04942	100.0
120.05295	3.2
123.00827	0.6
125.02354	0.8
134.03618	0.7
135.02904	0.4
135.04466	2.4
141.01874	0.9
141.90451	0.3
142.28606	0.4
151.00305	1.3
161.04564	0.8
163.03954	87.8
164.04272	3.6
169.01312	0.5
175.72003	0.4
178.02609	0.5
178.99812	1.3
179.03423	0.7
179.05585	1.1
193.04996	1.5
193.06621	0.4
205.05055	0.4
215.03569	0.6
217.01337	0.5
219.83109	0.4
231.02899	0.5
259.02475	1.3
259.06479	0.4
269.01123	0.4
287.02042	3.3
312.99918	0.6
315.01489	0.5
331.01047	1.3
331.13025	1.7
341.09058	0.5
351.28839	0.4
394.95334	0.4
433.24835	0.8
449.10983	9.7
450.11148	1.0
457.13660	0.9
475.91360	0.4
493.06470	1.6
493.23468	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52857	0.9
59.01265	5.4
65.33868	0.9
68.90222	0.9
69.62443	6.1
71.01250	1.4
72.99191	1.0
75.00767	5.0
85.02814	1.8
87.14404	1.0
88.33800	0.8
89.02332	2.1
93.03364	2.8
94.09883	1.1
96.95906	1.6
97.02861	0.9
98.19875	1.8
101.02297	1.4
109.59432	0.9
117.03362	13.0
119.04939	100.0
120.05257	3.0
121.02858	23.8
123.00777	1.3
123.04433	7.3
125.17191	0.9
133.02870	3.4
134.03656	1.9
137.02339	1.5
138.01868	1.8
145.02901	6.4
147.04425	1.3
161.04486	1.1
162.03152	14.1
162.43158	1.1
163.03949	94.0
164.04305	4.1
191.05658	1.0
197.05959	1.4
199.07556	2.5
243.06641	74.1
244.06909	3.7
287.05676	34.8
288.06143	1.6
325.09366	4.9
329.06842	2.8
449.10925	16.2
467.51709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
58.00470	0.7
59.01262	33.8
59.02612	0.6
61.98704	1.8
65.00227	0.7
68.99702	0.9
69.58551	4.0
71.01268	11.5
72.99194	4.0
73.02827	4.2
75.00766	6.9
83.01266	1.3
83.04943	0.6
85.02839	8.9
87.00761	3.7
89.02328	5.1
93.03336	0.9
95.01286	2.6
97.02837	0.6
98.20438	1.1
99.00783	5.6
101.02357	3.1
103.00314	0.6
107.01319	0.7
109.02835	1.1
111.00758	1.5
113.02348	8.7
114.02663	0.5
115.00273	1.4
117.01823	1.4
118.97934	0.7
119.03419	2.3
120.99557	1.4
121.02895	0.6
123.00841	0.7
123.04427	0.6
124.01605	1.0
125.02374	4.5
129.01773	0.8
133.02840	1.0
135.02888	1.0
135.04454	1.3
137.02348	0.8
139.00304	0.6
139.11218	11.5
143.03453	0.9
147.04434	1.3
149.04488	0.7
149.99500	2.4
150.03177	0.8
151.00359	2.7
159.04449	0.7
161.02402	2.5
161.04547	1.3
163.03845	0.5
163.11182	0.7
167.54390	0.5
168.00572	5.3
169.01392	0.7
171.04524	0.7
173.02339	0.6
175.02417	1.8
177.01895	0.7
178.99811	1.5
179.03362	1.2
179.05563	2.0
179.07007	0.6
179.96443	0.5
181.12302	4.6
183.10219	8.9
187.03938	1.2
199.13295	1.1
201.01996	0.9
203.03452	2.0
213.01814	1.0
215.03497	2.8
217.01459	0.6
225.11313	2.7
231.02968	1.3
231.05060	1.1
241.01378	1.3
243.02997	2.8
243.12410	3.1
249.06180	8.2
255.03300	0.6
257.00943	0.6
259.02515	3.9
271.02417	3.4
271.19107	0.9
275.01932	2.2
279.68771	0.6
287.02020	30.3
288.02383	2.3
301.03461	0.7
310.01028	0.6
315.01526	58.2
316.02023	8.2
317.16071	3.6
330.03802	6.9
331.00781	1.3
331.04166	1.8
331.06900	2.8
331.17700	0.7
357.05798	0.6
361.15424	0.8
373.05798	0.7
394.95294	0.5
431.19534	1.2
433.17181	2.2
433.24399	5.3
475.18246	3.6
478.07687	1.8
493.09958	63.0
493.19296	100.0
494.10266	6.7
494.19617	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	493.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.8
58.00486	4.8
59.01263	80.6
60.01591	2.4
61.98709	10.5
69.03339	2.0
71.01270	66.6
72.01653	1.6
72.99194	5.1
73.02842	17.2
75.00779	6.6
75.62245	1.6
83.01291	4.2
83.82523	1.3
85.02847	14.0
87.00780	3.7
89.02337	100.0
95.01298	1.6
97.02847	3.0
99.00777	29.6
101.02345	49.2
109.02822	2.7
113.02360	18.6
117.01914	1.7
118.44276	1.3
119.03431	11.6
119.04919	3.2
125.02354	13.4
131.03427	19.7
135.02922	6.3
135.04433	4.7
143.03392	4.1
149.04501	66.9
152.01067	1.7
155.10802	1.3
161.04521	5.9
163.03973	2.0
177.01863	3.7
178.99864	2.6
179.03453	5.8
179.05571	4.8
183.04575	1.4
191.05605	16.7
193.05026	2.0
205.08638	2.3
219.03294	1.5
221.06689	3.5
233.06987	1.7
251.07777	7.3
275.54980	1.5
301.16660	5.7
311.09772	2.0
313.23694	1.7
329.23499	2.0
331.24893	20.3
332.25348	1.8
346.59283	1.5
375.27707	3.4
433.20844	66.5
434.21130	6.0
475.29581	2.5
493.23892	2.5
493.30319	65.8
494.30939	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	493.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.0
58.00473	3.4
59.01262	100.0
61.98701	3.5
63.19127	1.2
67.10444	1.1
69.10296	1.2
71.01267	55.2
71.56127	1.9
72.99190	4.7
73.02828	5.3
73.24013	1.1
74.98985	18.7
75.00756	3.5
78.91770	4.3
83.01254	2.0
85.02841	9.9
87.00754	4.3
88.36314	1.2
89.02333	72.1
93.03378	2.0
95.01282	2.7
96.95903	7.7
96.96417	1.2
99.04420	2.8
101.02345	31.6
109.02863	2.7
113.02347	21.8
114.85566	1.1
119.03411	27.1
120.99545	4.6
125.02364	3.7
131.03435	4.3
135.02904	5.0
135.04422	2.4
136.99066	18.6
137.02394	2.6
139.05132	1.3
143.03444	9.2
149.04489	4.4
151.00294	6.1
152.01053	1.8
153.01871	1.4
154.81148	1.1
159.14816	1.4
161.04500	12.2
163.03966	2.1
178.99786	2.2
179.03876	2.0
179.05562	42.6
179.07167	2.1
191.01965	1.6
225.11363	1.6
249.06151	1.9
265.65088	1.3
269.10202	1.8
275.01971	2.9
314.06378	1.6
315.01764	1.4
317.02994	1.3
361.15689	1.6
413.14658	1.5
433.24484	10.1
493.10416	4.0
493.19781	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07133	0.2
56.03529	0.2
58.62113	0.2
59.01261	0.3
61.98716	100.0
62.98415	0.2
68.04094	0.2
69.34741	1.8
98.20653	0.2
109.02850	0.2
134.11761	0.2
135.04454	0.2
151.00394	0.3
211.03975	0.2
227.03505	5.6
228.03941	0.3
229.05106	0.8
241.05205	0.2
255.03023	8.2
256.03613	1.0
257.04709	0.5
284.03326	8.9
285.04080	7.2
286.04520	0.8
387.20651	0.2
431.09909	19.9
432.10248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32415	0.5
59.01262	2.3
61.98718	0.7
65.00205	2.0
69.76134	1.2
69.76549	1.7
71.01268	1.4
72.99211	0.5
81.03344	0.5
89.02329	0.7
91.01801	0.5
95.01297	1.9
96.99217	1.1
98.20497	0.6
99.00787	0.8
101.02366	0.6
105.01855	0.6
107.01281	2.7
109.02845	1.3
110.00005	7.2
111.00808	5.0
115.65549	0.4
121.02849	0.7
123.00802	3.4
123.04462	0.5
124.01590	2.8
124.98751	0.6
125.02380	3.8
130.97340	0.4
135.00804	1.3
136.98735	1.6
137.02380	2.0
137.99474	2.5
138.03036	0.6
139.00305	9.2
140.01071	1.7
141.01888	0.8
143.04945	1.4
145.02917	0.9
147.04410	0.9
148.01605	0.6
149.02350	1.2
151.00313	10.0
152.01089	6.6
153.01877	2.2
159.04440	1.8
161.01279	0.5
161.02336	2.4
161.05975	0.7
162.03183	0.7
163.00285	3.2
163.03940	0.5
164.01065	1.5
164.98267	0.6
165.01871	1.8
165.05527	0.5
165.99045	7.7
166.99797	4.2
167.03499	0.7
169.01395	1.6
171.03114	0.5
171.04497	1.6
173.02324	1.3
175.03926	1.8
176.01045	1.1
177.01909	2.5
177.85828	0.5
178.99820	11.0
179.03423	0.9
180.00345	1.1
181.01378	1.2
185.02428	0.9
186.03146	0.7
187.03967	4.7
189.01912	4.0
190.02621	1.8
190.99792	1.1
191.03461	1.9
192.00554	1.6
193.01488	1.5
193.98547	0.5
194.99315	1.5
197.02618	0.5
199.04004	1.8
201.01915	1.3
202.02675	1.1
203.03496	7.0
204.04214	0.5
205.01442	2.2
206.02142	0.7
206.99341	1.2
207.02950	0.7
208.00023	0.7
213.01897	1.7
214.02603	1.4
215.03484	5.4
217.01425	2.8
217.05049	0.6
218.02223	1.4
219.02989	4.6
221.00977	1.0
227.03523	1.0
229.01497	1.5
230.02206	2.2
231.03012	5.8
232.00000	0.5
232.03783	3.4
233.00890	1.0
233.04510	0.8
234.01627	0.6
241.01360	2.3
242.02336	1.6
243.03015	7.6
244.03619	0.7
245.00923	1.7
246.01817	1.2
247.02573	2.4
248.03102	0.8
257.00940	0.7
258.01685	3.6
259.02521	9.4
260.03113	1.6
261.04123	0.9
269.01071	1.1
270.01727	0.9
271.02563	6.8
275.02045	1.8
276.02698	1.2
286.01251	4.1
287.02029	31.6
288.02710	7.2
289.03537	3.4
297.00446	1.2
299.02155	0.6
303.01508	5.0
304.02206	5.6
305.02966	1.2
314.00711	1.4
314.74301	0.5
315.01520	43.6
316.01956	4.5
317.02945	0.6
331.00995	1.5
332.01779	60.2
333.02515	18.5
334.02942	1.0
342.39746	0.5
343.06644	2.0
366.25464	0.5
383.06342	1.1
443.02597	0.5
451.09012	3.4
477.06583	2.9
478.07837	0.6
495.07883	100.0
496.08206	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	495.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.1
57.31565	1.0
59.01263	12.1
60.01602	1.1
61.98705	2.5
63.02273	3.2
65.00210	7.7
67.01755	1.9
68.99706	1.3
70.06762	1.9
70.07114	4.6
71.01270	7.2
72.99194	2.8
79.01787	1.4
83.01259	5.1
85.02837	2.2
87.00744	2.3
89.02347	5.6
93.03320	2.3
95.01263	5.5
96.99196	2.1
97.02829	1.5
98.20515	1.3
99.00784	2.8
101.02325	3.2
106.00508	4.0
107.01299	11.1
108.02075	1.9
109.02843	14.0
109.99993	2.4
111.00782	10.4
113.02329	2.8
115.05440	0.9
117.03394	1.5
119.03395	3.5
119.04936	1.5
120.99490	3.8
121.02827	2.5
123.00783	10.7
123.04446	1.3
124.01556	4.2
124.98705	2.5
125.02375	7.0
126.99495	1.2
131.04887	1.2
133.02863	4.3
135.00772	3.1
135.04410	2.7
136.98747	3.6
137.02357	4.1
137.99503	1.2
139.00282	12.0
139.03876	1.0
140.01091	1.7
140.98813	1.0
141.01817	2.4
143.04910	3.0
145.02808	2.5
146.03697	1.7
147.00816	1.3
147.04445	2.9
148.01604	5.0
148.98715	2.5
149.02379	6.2
149.99518	8.7
150.99142	2.1
151.00307	29.2
151.03917	1.7
152.01076	6.7
153.01802	7.9
154.99791	2.1
159.04477	6.0
161.02374	5.8
161.05966	2.2
163.00296	4.5
163.03915	2.8
164.01028	2.5
164.98227	4.7
165.01808	3.1
165.05482	1.0
165.99043	3.9
166.99812	5.2
167.03380	1.7
168.00571	7.0
169.01349	6.0
169.02736	1.7
171.04468	5.7
173.02379	3.6
174.03107	3.5
175.00403	1.2
175.03935	9.6
176.01006	1.6
176.04639	1.3
177.01874	4.8
177.05409	1.1
177.99022	10.3
178.98209	2.1
178.99811	44.2
179.05598	1.1
180.00333	2.5
181.01410	2.3
181.98672	0.9
185.02414	1.7
187.03951	13.9
188.04459	1.3
189.01877	6.6
189.05534	1.9
190.02612	5.5
190.99881	1.2
191.03418	3.9
192.00616	3.2
193.01353	4.5
194.99297	4.7
197.00931	1.7
198.03203	1.7
199.03975	8.5
201.01973	5.5
202.02682	3.3
203.03455	15.5
204.04152	3.2
204.97769	3.5
205.01424	3.3
205.05064	2.1
206.02136	1.6
206.99254	3.5
207.02911	4.0
208.00067	2.4
209.00874	2.6
213.01852	2.6
214.02655	3.2
215.03487	15.1
216.04097	1.7
217.01382	4.8
217.05074	2.9
218.02142	1.5
219.02979	3.9
222.98814	4.5
223.99451	1.5
225.01898	1.6
226.02568	1.2
227.03423	4.7
229.01537	4.7
230.02177	2.4
231.02982	13.4
232.00133	1.3
232.03749	16.7
233.00922	1.5
233.04539	14.9
241.01480	2.7
242.02177	4.4
243.03026	20.8
245.00937	3.8
245.04501	4.6
246.01712	2.1
247.02504	4.2
255.03090	1.5
257.00980	2.1
258.01721	5.7
259.02460	15.5
260.03177	5.6
261.00311	1.6
261.03989	5.6
269.01004	3.0
270.01654	1.8
271.02530	38.9
271.05508	1.9
272.02942	3.7
286.01270	6.9
287.02017	56.1
288.02686	11.7
289.03635	8.6
297.00476	5.6
299.02014	25.1
300.02551	4.3
301.03549	1.4
303.01563	4.9
304.02045	2.1
305.02963	2.1
313.00302	1.5
314.00601	2.7
315.01517	100.0
316.01910	8.3
317.03122	1.6
329.08569	1.2
331.01071	3.0
331.06558	1.3
332.01767	17.1
333.02515	10.3
343.06564	1.6
353.05325	1.2
355.06818	4.1
359.06033	5.0
360.06946	1.1
393.08276	1.0
395.09790	8.9
423.09271	4.2
434.24884	1.4
451.08777	4.5
451.32968	2.0
462.07892	5.7
463.08527	1.8
467.08173	2.0
477.06882	7.9
495.07867	80.8
496.08212	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	495.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87798	3.2
52.76290	2.8
55.62733	2.9
59.01259	9.4
62.36600	3.0
65.00208	15.7
68.99710	5.4
71.01282	9.9
71.56417	3.3
71.56808	4.1
71.97765	2.9
72.99241	3.6
79.50541	3.3
81.03381	4.8
83.01279	10.3
85.02867	3.6
95.01257	9.0
97.02843	5.0
99.00769	21.9
99.85984	3.2
107.01292	14.5
107.53169	3.3
109.02853	34.0
109.99995	9.1
111.00765	19.2
117.03401	5.6
121.02909	6.8
123.00796	19.5
124.01579	5.0
124.98706	5.3
125.02358	25.5
127.00286	6.0
133.02864	10.7
135.00786	6.9
135.04366	4.8
136.98717	6.6
137.02386	17.7
137.99535	3.5
139.00290	30.9
141.01825	6.2
145.02826	7.4
147.04449	7.5
148.01585	10.2
149.02420	16.5
149.99544	4.4
151.00288	45.8
152.01088	6.6
153.01872	7.5
154.99803	34.2
159.04492	13.5
161.02406	14.9
163.00323	13.7
163.03947	9.4
164.01132	4.7
164.98251	7.3
165.01860	15.3
165.99028	6.5
166.99817	37.7
168.00502	4.0
169.01335	9.5
169.02786	4.0
171.04364	5.3
173.02382	7.8
174.03204	4.6
175.00223	5.0
175.03934	12.6
176.01132	4.0
177.01904	24.0
177.99084	3.7
178.99832	37.0
181.01387	27.3
184.00046	13.9
187.03964	14.8
189.01898	10.1
189.05556	4.9
190.02727	5.4
190.99789	9.7
191.03467	6.4
192.00624	5.4
193.01425	14.1
194.99261	33.1
195.02901	5.9
199.03951	7.3
201.01843	9.4
202.02721	4.1
202.99768	5.6
203.03455	23.7
205.01363	9.8
205.04962	5.7
206.99467	6.6
207.02946	6.0
209.00925	6.6
209.11871	4.0
213.01915	8.3
214.02725	3.9
215.03497	14.4
217.01363	8.5
218.02211	4.0
219.02969	11.7
227.03503	5.8
229.01376	9.3
230.02216	9.3
231.03014	29.6
233.00905	4.6
233.04573	13.1
241.01460	6.9
242.02057	4.9
243.03085	27.5
245.00853	9.3
245.04741	3.6
247.02466	9.6
248.03094	6.6
249.04082	6.4
257.01062	7.0
258.01709	6.3
259.02536	46.1
261.01602	3.5
261.04044	22.8
269.00980	4.9
270.01727	5.0
271.02530	14.4
273.03967	7.9
274.01248	6.9
275.02039	19.0
276.02548	4.3
277.03610	18.0
285.00500	9.7
285.03653	5.1
287.02023	100.0
288.02283	6.9
299.01877	4.0
300.02817	10.1
301.03571	21.4
302.03815	4.0
303.01569	21.9
304.02213	5.7
305.03107	18.0
312.99936	8.1
315.01514	35.4
317.03137	4.2
327.07214	4.2
329.02988	3.8
331.01035	50.9
339.07068	15.9
341.08807	12.5
348.01065	4.2
349.02014	12.8
349.05817	5.9
355.06799	9.0
359.06204	46.4
360.06644	4.2
385.07657	7.8
421.07733	14.6
423.09464	9.8
447.09113	8.2
449.07312	4.0
451.08734	11.5
462.08344	10.6
465.10385	8.5
477.06491	9.9
495.06961	52.9
496.08145	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	495.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.0
63.02274	3.4
65.00204	7.9
67.01763	2.3
68.99688	2.2
70.27773	2.1
71.45792	4.1
79.01765	3.5
83.01260	4.0
87.00761	3.5
95.01287	5.7
99.00831	2.7
106.00512	2.8
106.26138	2.2
107.01263	13.3
109.02845	3.2
111.00774	13.9
119.05023	3.2
120.99212	2.6
123.00798	9.2
124.01586	3.8
125.02354	17.9
130.69690	2.1
133.02866	3.7
135.04428	2.7
136.98756	2.7
137.02338	7.4
139.00301	14.6
140.01112	3.3
141.01892	3.2
145.02953	3.5
147.04451	3.2
148.98718	4.2
149.02277	2.3
149.99541	6.5
151.00308	54.6
152.00967	2.6
153.01871	5.2
154.99783	6.3
155.19183	2.1
159.04482	4.4
161.02353	5.9
163.00311	9.3
163.03984	3.0
164.00989	4.1
164.98187	3.5
165.01857	7.4
165.99078	4.3
166.99791	8.2
168.00635	11.3
169.01315	5.0
175.03949	5.8
177.01881	5.6
177.98996	6.6
178.99809	98.1
180.00500	4.2
181.98669	2.2
185.02403	2.8
187.03914	7.2
189.01942	2.6
190.02623	4.1
190.99829	7.6
191.03363	6.0
192.00551	2.9
193.01367	12.1
194.99290	8.4
197.00851	6.9
201.01839	5.2
202.02631	2.7
203.03458	15.5
205.01350	5.9
206.99269	7.6
207.02960	2.7
213.01929	4.7
215.03456	7.9
217.01433	7.3
218.02147	2.5
219.02988	5.3
221.00932	4.3
222.01608	3.6
222.98802	8.5
229.01418	5.5
231.02986	20.0
233.00920	4.6
233.04552	12.1
241.01466	4.8
243.02982	12.6
245.00925	8.0
247.02409	4.6
248.03268	8.4
257.00909	2.6
259.02502	19.8
261.00412	19.5
261.04132	2.9
262.01138	3.3
263.02182	3.5
274.01303	2.3
275.01859	4.8
276.02676	4.8
277.03683	4.0
285.00568	3.6
286.01074	2.3
287.02032	59.0
288.02277	3.4
291.42572	2.4
302.00586	3.0
303.01434	27.3
304.02066	9.5
305.02936	8.7
312.99872	8.8
315.01474	5.0
331.01016	100.0
332.01303	9.0
343.06815	11.6
348.01282	13.8
349.02075	12.3
355.06699	10.1
423.09219	3.6
451.08984	7.5
477.06839	14.2
495.07956	40.6
496.08588	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	495.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
58.00476	0.9
59.01264	19.5
61.98716	0.9
69.28812	2.4
71.01272	10.3
72.99201	1.0
73.02844	0.3
75.00769	0.3
80.04948	1.5
83.01285	1.0
85.02845	2.4
87.00771	0.8
89.02339	8.0
92.50891	0.2
94.06522	0.3
95.01287	1.3
99.00790	0.4
101.02345	5.5
104.04946	0.3
106.06551	0.5
108.04462	10.6
109.02850	0.3
109.04784	0.2
113.02361	4.0
119.03404	3.4
119.04877	0.2
120.99558	0.2
121.05263	1.4
121.06457	0.2
122.06068	1.3
124.07658	0.3
125.02353	0.5
132.04507	0.4
134.06000	0.5
135.04451	0.7
136.07611	16.6
137.02345	0.3
137.07974	0.3
138.05544	1.4
140.07062	0.3
143.03421	0.3
146.06163	0.2
147.03210	1.7
148.03949	0.7
149.04514	0.3
150.05525	0.3
151.00302	0.8
158.06009	0.2
159.06877	0.4
161.02377	0.2
162.04245	0.4
162.05542	6.2
163.03964	0.3
163.05957	0.3
164.07025	0.3
166.05080	0.7
173.08383	0.3
174.12784	0.3
178.99843	0.9
179.03375	0.6
179.05650	0.3
184.11296	0.6
188.07191	0.5
191.05753	0.2
197.07126	0.6
198.07962	0.8
200.05841	0.3
200.10764	0.6
202.12357	0.7
209.11900	0.6
211.08684	0.4
212.09529	0.7
213.06606	2.1
214.07375	0.5
216.06694	0.6
225.10358	0.4
226.07587	0.3
227.08307	0.7
227.11845	1.2
228.08882	0.8
229.09868	1.6
237.06668	0.3
238.07503	2.1
239.08182	0.4
241.06151	1.5
241.09906	0.3
242.07054	1.6
243.11404	2.0
246.11420	0.7
253.09869	4.1
254.10480	0.8
255.07790	0.9
255.11505	1.1
256.08560	1.9
270.10147	1.6
271.10928	100.0
272.11279	7.2
287.02100	0.5
299.02011	0.2
379.12811	0.5
408.16827	0.6
415.96265	0.2
433.16174	0.8
451.17114	1.7
495.16281	8.6
496.16693	0.9
500.07117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42697	1.2
57.03318	1.3
58.00482	3.4
59.01264	82.0
61.98712	3.8
68.68591	0.9
69.03351	1.1
69.86060	5.6
71.01269	61.1
72.01603	1.2
72.99196	3.6
73.02834	17.6
74.39849	1.0
78.95789	25.6
83.01293	2.1
85.02843	7.1
87.00774	2.1
89.02336	100.0
90.02683	1.3
95.01279	2.7
96.96862	2.7
98.19815	1.2
99.00777	27.5
101.02346	42.6
108.02073	1.8
109.02870	2.3
113.02362	14.5
115.03895	1.0
119.03409	10.7
125.02366	5.3
131.03432	12.5
135.04463	1.1
143.03433	1.6
149.04503	61.1
152.01085	1.8
152.99529	48.0
153.99934	1.2
154.79840	1.1
155.48723	1.2
161.04486	4.0
168.77831	1.0
171.00580	2.2
179.05574	3.7
184.19699	1.1
185.05846	1.2
191.05606	14.8
221.06647	3.6
251.07758	7.6
279.11844	1.1
293.08926	2.3
311.09647	1.4
400.15384	1.3
435.22437	92.2
435.29129	3.3
436.22787	12.1
459.22879	1.3
495.24075	12.8
496.24149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2742
Annotation	Ardisenone
Peak:m/z	Relative Intensity
50.76698	0.7
58.64606	0.7
58.81128	0.7
66.29671	0.7
66.31914	0.7
71.24240	0.9
71.24554	1.2
78.95793	37.0
96.00962	0.8
96.96861	3.5
116.31844	0.8
152.99525	53.8
171.00594	17.1
211.09779	0.8
227.03246	3.9
237.45662	0.8
244.55560	0.8
245.04346	100.0
246.04620	2.7
260.14136	0.9
267.23355	60.8
268.23657	3.4
280.84396	0.8
427.09024	0.8
473.66684	1.0
495.27393	55.6
496.27774	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	496.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
61.98716	15.9
64.27777	0.7
65.00186	0.8
69.40477	6.0
71.01270	1.1
72.79992	0.6
73.02840	0.7
83.01270	0.9
87.00755	0.9
89.02319	0.9
98.19799	1.2
101.02341	0.6
107.01268	2.3
108.02058	1.8
109.02862	2.5
121.02860	2.2
125.02338	1.2
135.00832	0.7
147.18332	0.7
148.01602	0.8
151.00314	10.6
163.00290	2.1
163.03862	0.8
164.01114	0.8
169.01396	0.6
178.99829	6.5
203.03409	0.9
211.03986	1.1
216.04169	0.7
221.10927	0.7
226.02873	1.2
226.04895	0.6
227.03470	2.2
243.03000	9.4
245.04648	2.1
254.02261	1.5
255.03023	22.7
256.03378	1.7
271.02518	49.2
272.03015	4.0
273.04022	0.7
283.02563	1.2
299.02103	1.4
300.02798	87.3
301.03537	51.4
302.03967	2.4
392.62558	0.6
417.53125	0.6
433.07822	100.0
434.08176	8.6
455.66782	0.6
497.09552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50561	0.5
59.01269	4.3
61.98718	17.7
63.02283	0.6
64.70325	0.5
65.00208	0.8
65.81087	0.5
67.31621	0.6
71.01266	1.3
72.99204	0.6
83.01283	1.2
83.04941	0.9
88.98685	1.0
89.02332	1.0
101.02372	1.0
107.01295	3.1
108.02093	1.1
109.02874	2.5
113.02325	1.1
119.01305	0.7
119.03412	0.6
119.04970	0.8
119.14175	0.6
119.25980	0.6
121.02864	2.5
125.02391	1.5
135.02917	0.9
135.04448	1.0
137.02376	0.7
148.01627	1.0
149.02293	0.6
151.00294	10.4
152.01154	1.3
153.01807	0.7
163.00320	2.5
163.11224	0.6
164.01140	0.7
165.01825	0.7
169.01364	1.1
178.99825	6.7
179.03493	0.8
193.05040	0.7
209.11807	10.3
210.12189	2.4
211.04033	1.2
226.02690	1.4
227.03450	1.6
227.12849	1.9
229.05104	1.0
243.03128	5.0
245.04605	1.7
253.09351	1.5
254.02213	1.6
255.03003	17.7
256.03580	0.9
271.02530	33.4
272.03009	2.5
273.03967	0.8
283.02451	1.9
299.02261	1.1
300.02802	68.5
301.03555	59.9
302.03979	3.9
433.07819	100.0
434.08081	8.7
457.74347	0.6
497.09470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01255	1.0
61.98715	100.0
62.98416	0.2
65.00191	0.1
68.99678	0.2
69.22082	0.1
69.52510	1.1
71.01254	0.6
72.99197	0.2
73.02836	0.2
80.96398	0.3
83.01298	0.3
85.02874	0.2
88.98688	0.2
89.02332	0.2
98.20526	0.3
101.02384	0.3
102.74998	0.1
107.01300	0.4
109.02882	0.2
113.02420	0.2
120.99599	0.2
125.02341	1.1
134.03749	0.2
135.02943	0.1
135.04448	0.3
137.02399	0.2
151.00294	1.6
161.04558	0.1
161.19254	0.1
164.01076	0.2
166.05136	0.1
168.00653	0.1
169.01395	0.6
178.99857	0.2
193.05031	0.7
217.69835	0.1
223.89587	0.2
231.04106	0.8
271.02347	0.2
271.06241	0.3
271.11032	0.2
272.11395	0.4
292.01486	0.2
299.02039	0.1
300.02774	0.3
301.03564	0.2
312.06793	0.5
375.95703	0.2
463.09125	0.2
497.09695	0.3
497.16650	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	496.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97445	0.9
58.02861	4.6
59.01263	2.6
61.98711	6.2
63.61398	0.5
70.02863	6.7
71.01270	1.0
72.00792	0.7
72.04431	6.8
74.02360	18.1
75.00777	1.2
80.87744	0.5
83.01301	0.5
84.04447	1.9
85.02819	0.8
86.02354	3.3
88.03931	0.5
88.98700	0.8
96.99798	2.9
97.03946	2.5
98.00616	0.7
98.02363	2.1
98.06022	0.6
98.19767	1.2
99.05540	10.5
101.02327	0.7
102.52009	0.5
108.02065	0.6
109.02840	1.7
110.00633	2.0
110.02373	1.0
111.01408	0.6
111.21954	0.5
112.04005	1.0
113.02317	0.5
119.04977	1.1
120.99541	0.8
123.01479	2.9
123.05540	1.9
124.01581	1.5
125.02256	4.1
125.03463	3.1
134.03586	0.7
135.02879	0.7
135.04448	0.9
136.02214	1.0
137.02310	0.6
138.03764	1.9
141.06621	39.9
142.06960	1.1
143.04562	10.2
149.99507	2.2
151.00258	1.0
152.01102	0.9
153.01852	1.6
153.06660	0.6
163.03946	0.8
165.02438	1.1
168.00578	4.1
169.01379	1.1
174.26643	0.6
178.99850	0.5
179.03699	0.9
185.05640	18.4
193.04915	0.7
194.10020	1.6
196.11615	1.1
206.11855	0.7
221.12407	1.2
222.09608	4.8
222.13173	1.1
229.34375	0.6
230.15494	0.9
231.04004	0.9
236.11133	1.1
240.10675	11.5
241.07326	0.7
241.10939	0.6
242.07806	0.8
249.14265	1.6
258.14978	0.6
264.14310	1.8
266.12274	6.2
267.12595	0.6
271.02640	0.6
290.12256	1.5
300.02841	0.7
308.13321	12.3
309.13672	1.2
326.14407	5.5
338.80856	0.5
352.12302	1.1
365.15469	1.0
372.33096	0.6
408.19885	1.0
409.14221	1.3
434.17651	3.3
452.18713	6.6
463.08871	0.8
478.16562	3.6
479.16888	0.8
496.17694	100.0
497.17343	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	497.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	0.4
57.03323	1.0
57.27138	0.3
59.01259	10.9
61.98714	3.1
65.30811	0.4
67.46304	0.3
68.99692	0.3
69.03341	2.1
71.01266	7.3
71.57904	0.6
72.99202	0.7
73.02825	1.5
73.38680	0.3
75.00767	0.5
78.95774	0.4
81.03345	1.3
83.01263	1.9
83.04898	0.6
85.02838	3.9
87.00759	0.9
87.04380	1.8
88.98730	0.4
89.02335	7.2
90.86563	0.3
93.03375	0.8
95.01293	2.4
96.95916	1.2
97.02838	1.7
99.00799	0.5
99.04435	0.6
101.02341	3.2
102.70544	0.4
107.01292	0.9
108.02075	31.8
109.02867	18.5
113.02334	1.6
119.04925	1.5
121.02908	0.5
122.60007	0.3
123.00790	3.6
123.04384	0.4
124.01588	8.0
125.02366	19.2
126.02681	0.8
131.03435	4.0
134.03650	0.9
135.02875	0.5
135.04433	1.9
135.08047	0.5
137.02368	2.3
137.09673	2.4
143.03423	0.7
143.10707	32.5
144.11043	1.0
146.55730	0.3
149.04521	2.8
149.99516	8.1
151.00311	2.4
151.03935	1.0
152.01083	40.3
153.01868	15.9
155.10712	13.7
156.11063	0.7
161.17543	0.3
163.02597	0.4
163.03912	1.4
165.01936	0.4
166.99829	0.3
167.03416	1.4
167.10680	1.2
167.39452	0.4
168.00587	18.7
169.01360	2.3
169.12193	0.4
177.01878	0.5
178.99780	0.4
179.03436	1.5
179.10732	0.7
181.08698	0.7
183.10149	0.4
191.03835	0.4
191.05595	1.5
191.10669	0.4
195.10139	0.4
196.06607	0.4
199.09737	2.3
217.05032	0.5
243.02858	0.5
273.04385	0.4
283.11819	0.6
293.08798	4.2
297.06003	0.4
315.07214	0.4
373.01453	0.4
377.76563	0.4
437.20377	2.0
447.83774	0.4
453.17789	3.1
479.15933	0.7
497.16718	100.0
497.28369	2.4
498.17114	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	497.1674
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
55.01796	0.4
57.03323	1.0
57.27138	0.3
59.01259	10.9
61.98714	3.1
65.30811	0.4
67.46304	0.3
68.99692	0.3
69.03341	2.1
71.01266	7.3
71.57904	0.6
72.99202	0.7
73.02825	1.5
73.38680	0.3
75.00767	0.5
78.95774	0.4
81.03345	1.3
83.01263	1.9
83.04898	0.6
85.02838	3.9
87.00759	0.9
87.04380	1.8
88.98730	0.4
89.02335	7.2
90.86563	0.3
93.03375	0.8
95.01293	2.4
96.95916	1.2
97.02838	1.7
99.00799	0.5
99.04435	0.6
101.02341	3.2
102.70544	0.4
107.01292	0.9
108.02075	31.8
109.02867	18.5
113.02334	1.6
119.04925	1.5
121.02908	0.5
122.60007	0.3
123.00790	3.6
123.04384	0.4
124.01588	8.0
125.02366	19.2
126.02681	0.8
131.03435	4.0
134.03650	0.9
135.02875	0.5
135.04433	1.9
135.08047	0.5
137.02368	2.3
137.09673	2.4
143.03423	0.7
143.10707	32.5
144.11043	1.0
146.55730	0.3
149.04521	2.8
149.99516	8.1
151.00311	2.4
151.03935	1.0
152.01083	40.3
153.01868	15.9
155.10712	13.7
156.11063	0.7
161.17543	0.3
163.02597	0.4
163.03912	1.4
165.01936	0.4
166.99829	0.3
167.03416	1.4
167.10680	1.2
167.39452	0.4
168.00587	18.7
169.01360	2.3
169.12193	0.4
177.01878	0.5
178.99780	0.4
179.03436	1.5
179.10732	0.7
181.08698	0.7
183.10149	0.4
191.03835	0.4
191.05595	1.5
191.10669	0.4
195.10139	0.4
196.06607	0.4
199.09737	2.3
217.05032	0.5
243.02858	0.5
273.04385	0.4
283.11819	0.6
293.08798	4.2
297.06003	0.4
315.07214	0.4
373.01453	0.4
377.76563	0.4
437.20377	2.0
447.83774	0.4
453.17789	3.1
479.15933	0.7
497.16718	100.0
497.28369	2.4
498.17114	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	497.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88327	5.9
71.01263	1.6
78.18363	0.9
87.76459	1.2
98.20509	1.6
115.90849	1.1
175.12624	1.1
214.79196	1.0
276.15894	1.1
334.57120	1.2
375.26816	1.4
401.24896	2.4
401.55457	1.1
403.26584	13.7
404.27264	8.5
405.27985	19.2
406.27997	1.4
407.29797	5.5
415.26343	1.6
417.28317	8.1
419.25986	3.8
420.26639	1.8
421.27264	3.9
422.28265	2.2
423.29391	1.9
429.24332	3.1
434.28235	3.5
435.29440	6.3
437.26660	2.3
451.28769	2.5
455.28226	2.5
467.28152	4.5
485.29184	100.0
486.29407	14.4
497.29221	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16644	0.5
57.03328	0.8
59.01262	2.7
61.98714	100.0
65.03853	2.8
69.03319	0.6
69.31287	0.6
71.01282	1.7
71.59117	0.7
74.07940	0.5
85.02837	3.0
89.02341	0.7
96.95887	0.6
99.00798	0.6
101.02300	0.8
107.04935	5.4
109.02857	9.3
111.26604	0.5
113.02333	1.3
119.04967	0.9
121.02863	4.7
123.00733	0.8
124.01529	1.6
125.02357	7.7
126.02748	1.2
135.02937	0.8
135.04454	0.7
137.02357	1.9
139.00221	0.7
149.99493	2.6
151.00352	1.2
151.03941	87.4
152.01134	0.6
152.04256	2.1
153.01859	2.3
154.02536	1.0
163.03947	3.6
165.87236	0.5
168.00572	4.3
169.01205	2.1
169.04977	1.0
170.01669	0.8
183.10168	0.6
191.01892	0.9
243.44699	0.5
255.06696	0.5
273.07733	30.6
274.08105	1.0
307.17444	1.0
435.13028	48.3
436.13541	4.2
463.09024	0.7
497.16565	1.6
498.17044	10.3
499.18915	1.0
512.78888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62947	0.2
59.01263	0.5
61.98714	100.0
62.98420	0.2
66.00851	0.5
71.56287	0.2
71.56671	0.2
81.03345	0.3
83.01307	0.4
85.02865	0.3
89.02374	0.2
93.03365	0.6
96.95937	0.4
109.02872	0.3
113.02273	0.2
119.04961	1.0
123.00819	0.4
123.04423	2.2
124.01625	0.2
125.02366	2.1
135.04497	0.3
135.13776	0.2
137.02371	0.2
149.02429	0.2
151.00365	0.5
153.01865	0.2
167.03439	5.8
168.00604	0.3
173.04564	0.2
178.99840	0.2
179.03523	0.8
229.05058	0.2
273.07730	10.0
274.08121	0.6
301.03638	0.3
363.22433	0.2
435.13065	2.7
436.13397	0.4
463.08823	0.2
498.17807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69550	1.2
55.01763	2.0
57.03335	3.4
58.00488	1.8
58.03223	1.0
59.00988	1.9
59.01265	19.2
67.01747	1.1
69.89367	2.3
69.89775	5.1
71.01266	23.7
72.99189	3.6
73.02798	2.7
75.00755	2.1
83.01275	6.5
85.02847	16.1
87.00760	12.0
89.02335	12.7
95.01286	2.6
96.95914	15.5
99.00771	11.8
101.01741	1.6
101.02319	7.0
109.02865	13.0
111.00765	3.3
113.02351	12.5
115.00280	34.2
116.00644	1.1
119.03411	4.0
119.04870	1.9
121.02846	1.2
123.00774	1.3
123.04376	1.7
125.02327	2.1
127.00285	4.0
131.04921	1.8
133.02878	9.9
135.04422	6.8
135.05318	1.0
139.00272	4.0
143.04996	1.8
145.02890	2.8
147.04446	5.2
148.05217	4.0
149.02391	2.6
149.06023	56.9
149.58879	1.2
151.03957	1.7
153.01907	1.3
155.81116	1.3
157.01369	1.9
159.03008	1.7
159.04308	2.5
161.02386	59.7
161.06050	4.5
162.02873	2.7
163.03937	6.0
165.01912	1.3
165.05502	2.5
171.04503	2.3
173.05998	1.3
174.03203	4.0
175.02432	71.3
175.03954	24.1
176.02774	2.5
177.01891	19.4
177.05547	3.5
179.03409	2.7
187.03972	11.4
188.04735	3.7
189.01869	2.4
189.04085	1.6
189.05531	8.9
190.02614	1.8
191.03502	4.2
193.05034	12.6
201.05609	1.6
203.03473	8.2
204.04124	1.9
205.05045	4.4
206.02188	3.9
213.05521	2.2
215.03554	11.1
217.05127	2.9
219.02977	21.3
219.06596	2.0
221.04439	1.2
229.05147	1.7
231.03099	2.7
231.06598	4.2
232.03755	1.7
233.04562	27.4
237.04071	31.7
238.04559	1.4
245.04568	5.7
247.06139	2.5
249.07719	4.0
257.04614	3.0
275.05630	9.2
277.03568	19.1
289.05640	1.3
293.06760	15.1
319.04633	9.8
320.74429	1.3
335.07770	3.3
337.05536	100.0
338.05939	6.5
360.97388	1.3
455.11984	11.0
456.12448	1.5
472.33920	1.2
499.11053	81.8
500.11249	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	499.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	10.8
61.96698	0.9
69.03344	1.8
71.05545	2.0
71.05885	0.9
77.03854	0.9
80.23856	0.9
81.03352	5.1
81.03790	0.8
83.01274	7.8
87.48656	0.8
91.05448	0.8
93.03357	2.9
95.04912	1.2
97.02839	4.5
99.04425	2.0
107.04897	1.0
109.02869	6.2
121.02872	5.1
122.03642	3.2
123.04409	2.8
124.01556	1.0
125.02364	100.0
126.02671	2.7
135.04459	6.5
137.02370	69.3
138.02724	1.9
139.03943	1.3
146.03659	24.4
147.04295	1.4
149.02319	1.6
150.03137	2.0
151.03926	2.1
159.04463	5.5
160.05237	3.3
161.02368	2.7
161.05969	2.2
163.03954	1.0
164.01089	13.1
165.01881	39.9
166.02238	1.7
167.03450	19.3
172.05281	4.1
173.06001	2.9
174.03165	7.7
174.06778	3.5
175.03923	2.7
176.04723	2.4
177.01907	3.0
179.03459	14.1
180.04022	1.1
185.06128	1.0
186.06837	1.4
187.03914	2.6
187.07475	1.2
188.04741	5.2
189.05461	1.5
196.05200	1.8
197.06107	1.5
199.04007	1.1
200.04730	4.0
201.05589	1.8
201.16864	1.0
202.06313	2.6
204.04239	4.5
209.06047	2.1
210.06796	3.1
211.07494	1.2
212.04732	5.9
213.05582	1.0
213.09151	0.8
223.07649	1.4
224.04771	0.9
225.05606	5.8
226.06261	2.8
227.07007	1.4
228.07893	1.4
236.04816	1.7
237.05536	1.7
251.07135	2.2
252.07936	2.4
254.05905	1.1
255.13966	1.3
265.08771	1.1
268.07489	2.6
269.08276	1.3
269.11826	2.1
270.08987	2.8
271.13416	23.7
272.13858	1.4
276.07935	1.5
281.15506	1.1
283.13483	4.9
283.17334	0.8
285.14935	2.3
287.13089	2.2
288.06412	2.6
288.13858	1.2
289.14490	8.8
290.14789	1.1
294.09036	2.8
295.13452	2.8
297.11838	0.9
297.14883	4.6
299.12946	3.6
301.14371	5.8
307.13486	1.2
309.14996	2.8
313.14517	5.5
315.16113	7.1
317.13998	7.1
325.14465	9.0
327.16025	1.3
331.15585	8.3
335.16528	3.0
337.14609	4.3
343.15567	14.0
351.16010	1.2
353.17535	2.5
355.15582	7.6
359.16705	1.2
361.16751	9.2
377.17688	3.1
395.18799	4.5
397.16830	1.3
401.17761	1.2
411.18448	1.9
413.19620	3.8
419.18784	8.3
437.19894	20.2
438.20068	2.3
455.21710	1.2
463.17804	6.3
464.18311	1.0
481.18753	38.0
482.19180	4.7
499.19821	43.3
500.20441	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	499.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	3.8
59.01257	1.2
69.03344	0.5
70.90105	1.1
81.03337	1.3
83.01281	4.3
86.86060	0.4
92.05489	0.5
93.03319	1.0
95.01237	0.8
95.04924	1.0
96.34138	0.5
96.60574	0.4
97.02848	1.5
108.02056	1.1
109.02857	1.5
111.00825	2.4
121.02878	1.7
122.03642	4.4
123.04446	1.8
125.02362	26.3
126.02721	0.8
135.04445	1.4
136.05215	1.9
137.02373	13.9
139.03883	0.4
146.03668	1.2
148.05219	0.7
149.02390	1.1
150.03160	3.0
151.03900	1.0
159.04457	0.9
161.02357	1.6
161.06017	0.6
162.03142	1.9
163.03929	0.5
164.01094	3.2
164.04736	0.8
165.01897	10.9
167.03442	3.5
172.05330	0.6
173.00822	0.8
173.05995	0.7
174.03212	0.7
175.03917	0.7
175.07533	0.6
177.01907	0.7
179.03448	5.4
187.04050	0.9
188.04784	0.9
198.06856	0.6
199.03957	0.7
201.05476	1.6
202.06259	1.0
204.04257	3.5
211.13390	0.9
213.05556	1.5
215.07133	0.8
226.06335	0.7
228.04239	0.7
241.05013	0.8
244.07393	1.5
245.15242	0.5
257.15576	0.7
259.05859	0.6
259.17050	0.7
270.05133	0.6
271.13400	0.6
273.15051	8.9
274.15356	0.6
281.12216	0.5
285.15152	1.2
287.05588	1.7
287.16583	3.9
288.06531	2.5
289.17960	0.5
291.16022	3.2
297.15060	0.6
303.16019	1.5
305.17389	0.6
313.14401	1.1
315.16006	5.6
319.15628	2.6
325.18030	1.1
327.16003	1.1
331.15427	1.2
333.17151	3.2
343.15359	1.1
343.19131	1.4
355.15665	0.6
361.16696	6.7
362.16846	0.9
367.19269	2.7
369.17169	0.7
371.18469	1.0
373.16754	2.2
385.20316	2.3
397.16562	0.9
409.20239	2.0
413.19797	1.0
415.17752	1.8
427.21326	1.4
437.19531	0.8
451.28647	14.0
452.28992	1.9
455.21051	4.1
469.29419	0.6
481.18817	2.9
499.19809	100.0
499.30780	23.6
500.20169	15.4
500.30737	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	499.1985
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
55.06487	0.7
56.31794	0.6
57.03335	5.1
59.01251	2.2
62.51035	0.6
69.03326	1.1
70.33125	2.8
72.54562	0.6
72.57936	0.7
81.03345	1.6
83.01269	6.6
84.37794	0.6
88.46556	0.6
92.99584	0.6
95.04909	1.4
97.02850	2.0
99.04353	1.0
107.04894	0.7
108.02078	2.1
109.02845	2.3
111.00787	5.6
113.82588	0.7
121.02043	0.6
121.02856	2.7
122.03651	7.3
123.00822	0.8
123.04416	2.6
125.02361	29.5
135.04443	2.4
136.01598	1.3
136.05222	2.6
137.02370	23.2
138.03139	0.9
139.03879	1.3
146.03677	1.3
148.01627	0.7
149.02354	1.6
150.03146	5.6
154.99792	1.0
159.04503	1.0
160.05190	0.7
161.02428	1.3
161.06076	0.8
162.03127	1.9
163.03963	0.8
164.01111	5.5
165.01857	16.0
167.03407	4.1
172.05261	1.0
173.00865	2.4
173.05956	1.4
174.03105	0.8
175.03920	1.3
175.07600	0.9
177.01906	1.3
179.03441	6.5
200.04765	1.2
201.05478	3.0
202.06230	1.4
203.03461	1.1
204.04277	2.9
207.10345	0.6
211.13393	1.7
213.05510	1.1
215.07062	0.9
219.06525	0.9
226.06355	0.9
228.04306	1.0
243.06715	1.3
244.07410	2.5
255.06917	0.9
259.06158	1.2
259.16983	1.4
270.05374	1.1
273.15045	10.3
274.15234	1.1
285.14960	1.2
287.05682	4.7
287.16528	5.0
288.06482	4.9
291.16074	3.3
301.14407	1.0
303.16049	1.2
305.17746	0.8
315.16034	5.6
319.15524	2.8
325.18137	1.2
327.16092	1.1
333.17081	3.0
343.19336	1.0
361.16608	7.5
367.19153	3.9
369.17114	1.3
371.18607	1.1
373.16602	3.2
385.20255	2.0
387.18323	1.0
409.20288	1.7
415.17462	1.5
437.20062	1.3
455.20901	5.8
481.18787	2.6
499.19830	100.0
500.20132	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	499.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89388	0.4
57.03335	11.5
59.01263	8.4
61.98714	6.0
69.03343	1.0
71.01273	3.4
71.55949	0.8
71.56306	0.5
72.99196	0.5
73.02827	1.0
75.00764	1.7
81.03351	2.7
83.01264	4.9
83.04967	0.5
85.02850	2.0
87.00764	0.6
89.02353	1.4
90.27859	0.4
93.03348	1.3
95.01271	0.8
95.04928	1.4
97.02863	1.3
99.04424	1.8
101.02349	1.4
106.76169	0.6
107.04948	0.8
108.42761	0.4
109.02872	2.9
109.06438	0.4
110.13147	0.5
113.02327	1.1
119.03403	1.0
119.04930	1.2
120.34892	0.6
121.02871	3.1
122.03641	1.6
123.00844	0.6
123.04437	1.8
123.08089	0.5
124.01558	1.0
125.02364	100.0
126.02705	2.1
129.01805	0.6
133.02905	0.7
134.03670	0.8
135.02921	0.9
135.04434	4.5
137.02373	30.5
139.03944	1.6
143.03485	0.6
146.03662	10.0
146.04807	0.5
147.04440	1.1
149.02374	1.3
150.03197	1.4
151.00299	0.5
151.03947	1.9
159.04431	2.9
160.05176	2.0
161.02423	0.8
161.05962	1.2
162.03185	0.5
163.03946	0.6
163.91429	0.4
164.01108	6.1
165.01889	15.7
166.02286	0.8
167.03442	9.2
168.03790	0.5
172.05258	2.6
173.06029	1.5
174.03183	4.2
174.06808	2.0
175.03929	1.4
176.04726	0.8
177.01895	1.8
178.99916	0.6
179.03465	10.0
180.03815	0.6
181.04933	0.4
185.05997	1.0
186.06842	1.4
187.04031	1.2
188.04691	2.3
189.05434	0.7
196.05339	0.8
197.05998	0.6
198.06786	0.8
200.04817	2.2
201.05566	1.2
202.06287	0.5
204.04242	3.0
206.02133	0.4
209.06020	1.2
210.06836	1.3
212.04767	2.5
213.05588	0.8
214.10138	0.4
223.07613	0.7
224.04893	0.7
225.05640	2.3
226.06302	0.9
227.07016	1.1
228.07948	0.6
231.10326	1.1
236.04756	0.5
237.05566	0.8
238.06413	0.6
239.07019	0.9
244.07397	0.5
245.15491	0.5
251.07130	1.6
252.07988	1.4
255.14046	0.5
265.08716	0.8
268.07455	0.9
269.08221	0.6
269.11777	1.1
270.05881	0.4
270.09079	1.2
271.13455	10.4
272.03534	0.4
272.13757	1.0
283.13452	1.8
284.13773	0.5
287.05704	0.7
287.12939	1.1
288.06476	1.4
288.41309	0.5
289.14465	4.7
294.09036	2.1
295.09924	0.5
295.13419	1.3
297.15018	1.3
299.12991	1.5
301.14413	3.0
309.15073	0.8
313.14499	2.2
315.16068	1.6
317.14032	3.5
325.14557	5.3
327.15936	0.6
331.15463	2.8
335.16672	1.3
337.14594	1.8
343.15613	7.9
344.15854	0.5
351.16177	1.0
353.17758	1.0
355.15558	3.5
361.16724	2.8
371.19022	0.8
373.16760	0.8
377.17590	1.4
393.17206	0.5
395.18808	2.7
401.17661	0.9
413.19885	1.4
419.18753	2.9
420.19620	0.5
422.70807	0.5
437.19751	11.3
438.20245	1.2
451.28500	1.0
455.17041	1.6
463.08765	0.8
463.17780	3.0
464.18042	0.6
481.18744	18.1
481.29562	1.0
482.19315	2.8
499.19876	33.3
499.30774	20.0
500.20154	4.6
500.31094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06147	0.7
59.01266	72.2
70.73206	0.8
70.73550	2.0
78.95795	10.8
129.11292	0.8
152.99535	12.9
153.99815	0.8
171.00633	3.2
179.24826	0.8
184.31149	0.8
227.03210	1.5
227.45595	0.9
245.04367	6.4
262.47495	0.9
271.22849	100.0
272.23270	8.2
281.13315	0.7
345.52792	1.1
392.34390	0.9
433.58536	0.9
455.31833	1.8
499.26627	41.3
500.26730	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	499.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65994	0.2
57.03333	0.4
59.01260	2.5
61.98714	0.4
71.01269	1.5
73.02821	2.0
85.02837	0.3
87.04449	0.4
103.40263	0.2
121.06500	0.4
125.37025	0.3
137.02376	0.5
137.79436	0.2
139.07579	0.7
152.99600	0.3
165.01967	0.5
189.12772	0.3
191.14394	0.4
212.43008	0.3
215.14377	0.3
259.48541	0.3
268.89035	0.3
271.17035	0.3
287.05542	0.6
289.18155	1.1
327.83340	0.2
338.95712	0.3
349.25540	1.6
375.23401	0.7
377.28806	0.5
379.26602	0.3
389.24832	0.8
391.26489	0.4
392.27042	0.3
393.24106	0.3
405.28079	11.1
406.28317	1.4
407.29980	1.6
408.29858	0.4
423.29135	30.4
424.29495	3.4
425.30884	1.9
435.28897	0.4
437.30606	0.5
451.28690	0.4
453.30194	20.6
454.30707	2.6
455.31644	0.4
469.29688	10.9
470.30426	1.4
481.29785	0.8
499.30765	100.0
500.31094	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	499.3077
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
59.01255	1.6
67.17445	0.7
70.87560	1.7
78.95781	2.5
102.13441	0.8
152.99596	4.1
171.11778	0.9
291.08176	0.8
309.20862	1.4
355.24249	1.3
369.26099	1.2
371.27530	3.4
373.25342	2.2
379.18021	2.3
385.24979	1.2
387.27057	1.9
389.28674	5.7
390.28754	1.2
401.24777	0.9
403.26486	1.6
405.28024	2.8
407.29559	6.2
421.27469	1.7
439.20114	1.4
439.28894	1.4
451.28452	3.5
453.30112	13.8
454.30969	38.0
455.31714	25.9
456.32034	3.1
485.29272	1.4
486.29874	1.3
487.30750	100.0
488.31134	13.4
490.82413	0.9
499.30914	16.8
500.31104	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	499.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87681	0.1
57.03328	0.1
59.01266	2.3
61.98709	0.2
66.14849	0.1
71.01276	0.3
71.58410	0.2
73.02835	3.6
78.95806	0.2
84.59610	0.1
85.02843	0.2
95.32674	0.1
125.02480	0.1
128.90866	0.1
137.02408	0.2
139.46252	0.1
150.03105	0.1
152.99483	0.3
165.01959	0.2
195.45341	0.2
196.13760	0.1
200.20296	0.1
203.77681	0.1
323.23987	0.2
351.23206	0.2
361.25348	0.2
375.26712	0.2
379.26520	0.6
389.28619	0.2
405.27991	0.3
407.29810	0.7
410.63358	0.2
435.29004	0.4
437.30634	0.6
451.28647	12.4
452.28989	1.7
453.30075	0.9
455.31766	3.1
456.32245	0.6
469.29706	4.0
470.29889	0.6
481.29706	5.8
482.30106	1.1
499.30759	100.0
500.31079	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	499.3075
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
50.94365	0.2
70.62871	0.6
80.50372	0.3
87.51232	0.3
98.64111	0.3
104.60779	0.3
118.59866	0.3
151.62531	0.3
219.45445	0.3
220.57420	0.3
309.20755	0.5
369.65805	0.4
389.28488	0.6
391.26581	0.5
406.28546	0.6
451.28613	62.3
452.29016	7.9
452.35397	0.4
453.29971	0.3
469.29703	4.1
470.30215	0.6
499.30753	100.0
500.31079	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	499.3076
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
50.44522	0.3
55.58021	0.3
59.01252	1.2
69.84927	0.7
69.85346	1.5
78.95773	0.8
97.31062	0.3
105.69379	0.3
108.61698	0.3
118.83254	0.3
137.02388	0.4
152.99506	1.5
225.22229	1.5
235.20609	0.4
253.21780	0.7
264.94107	0.3
269.21265	0.6
270.21735	0.4
271.22870	4.7
272.15564	0.3
287.40134	0.3
288.06931	0.3
338.11804	0.3
411.32767	8.8
412.33035	1.5
430.22903	0.4
437.30667	2.5
438.30374	0.4
451.28680	0.6
453.30219	0.4
455.31757	100.0
456.32108	14.7
469.29578	1.9
499.31299	6.2
500.31058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68515	0.2
53.59476	0.2
58.31054	0.3
59.01265	100.0
60.01597	0.8
61.98722	0.3
70.45145	0.9
71.01275	1.4
71.04910	0.6
73.02853	0.9
78.95823	0.3
83.01276	0.5
85.02831	0.5
89.02359	0.9
95.01281	0.3
101.02354	1.1
111.00800	1.0
112.01089	0.3
113.02350	0.8
119.03403	0.3
125.02393	0.5
137.02385	0.7
138.02733	0.3
139.18877	0.2
151.83751	0.2
159.44270	0.2
161.04485	0.3
165.01860	0.6
169.61568	0.2
173.00903	0.2
223.09381	0.2
289.06592	0.5
319.24094	0.3
391.30988	0.2
439.32190	0.4
441.24942	0.4
453.29938	0.5
455.31845	0.7
471.31079	0.3
483.31631	0.4
501.32404	28.6
502.32788	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3231
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
50.06361	0.3
56.86677	0.4
57.03333	0.8
59.01260	5.7
60.99184	0.6
61.98711	0.6
69.00821	1.6
69.03336	0.7
71.01271	2.4
71.55860	0.5
73.02837	1.5
75.00732	0.7
78.01021	0.4
80.96391	0.4
82.50382	0.3
83.04918	0.5
85.02843	1.3
89.02327	1.4
96.95909	1.3
99.00788	0.5
100.49215	0.3
101.02341	1.1
107.01290	0.4
113.02353	2.7
119.04943	1.3
119.08560	0.9
125.02322	0.5
131.03426	0.3
134.03687	0.5
135.02936	0.6
135.04440	0.6
137.24727	0.4
151.00279	0.6
155.08585	0.5
161.04495	1.1
163.03976	1.1
165.20802	0.3
168.87224	0.4
178.99722	0.6
189.12794	0.5
191.01831	0.5
193.05135	0.4
255.02997	0.7
271.02731	0.4
285.04199	0.5
301.03784	0.7
311.18204	0.7
327.21320	0.7
337.09323	0.6
343.20575	0.6
343.24365	1.1
355.24335	1.5
357.22064	0.6
357.26041	1.4
359.20157	0.4
359.23859	0.5
359.27548	4.1
360.28073	0.4
361.25830	0.4
371.23825	0.4
373.25397	3.4
375.23077	0.5
375.26990	3.6
376.27316	0.6
377.24692	0.6
377.28641	4.3
379.26187	0.5
389.28751	0.6
391.26199	2.8
392.27100	0.4
393.28079	3.1
394.35291	0.4
395.29919	0.6
403.30319	2.0
405.28146	3.1
407.25632	1.1
407.30255	1.7
409.26865	1.9
409.31604	1.2
411.29184	3.2
421.27588	1.5
423.23660	0.5
423.29160	7.1
424.29492	1.0
425.30713	24.1
426.31033	3.1
437.31201	0.6
439.33179	2.2
440.32776	0.5
441.30209	3.8
453.26151	0.6
455.27634	0.7
457.33408	33.5
458.33795	4.4
459.31247	10.1
460.31732	1.2
467.28064	1.5
469.29730	1.6
470.29373	0.5
483.31320	1.3
491.17810	0.4
501.32349	100.0
502.09384	0.4
502.32672	14.8
503.30518	1.3
504.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61001	0.2
57.03335	0.4
58.19463	0.2
59.01256	2.1
60.99184	0.8
61.98721	0.2
66.92287	0.2
70.95097	0.3
70.95419	0.3
71.01254	0.2
71.04904	0.6
72.72633	0.2
73.02829	0.3
78.95829	0.3
83.01297	0.2
83.04906	0.4
84.97797	0.2
85.02827	0.3
96.95913	0.4
97.06482	0.2
101.02371	0.2
111.00792	0.5
111.04444	0.2
111.97038	0.2
121.02920	0.2
122.03683	0.5
124.01595	0.2
125.02369	0.7
126.02673	0.2
137.02368	2.3
138.02690	1.0
139.02872	0.4
142.19643	0.2
149.02400	0.3
150.03145	0.6
151.03596	0.4
152.99500	0.4
165.01862	2.8
166.02272	1.3
167.02280	1.0
173.00870	0.2
176.04323	0.3
179.03448	0.5
180.03688	0.2
189.12766	0.2
201.05490	0.2
202.54652	0.2
242.80563	0.2
259.06052	0.2
260.06485	0.4
261.06781	0.3
270.05121	0.2
287.05716	0.5
288.06125	1.2
289.06549	1.8
290.06995	1.0
293.22610	0.4
307.21304	0.3
307.24231	1.1
337.25583	0.5
363.27170	0.3
365.24725	0.2
375.26846	0.2
379.30020	0.3
391.30426	0.3
393.31744	1.2
405.28049	0.3
419.29941	0.3
421.31210	2.6
422.31711	0.2
425.25671	0.2
439.27808	0.3
439.32889	0.3
453.30219	0.6
455.31204	2.7
456.31360	0.3
457.33279	0.5
483.31235	1.6
484.31699	0.3
501.32336	100.0
502.32730	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	501.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28507	0.2
58.03057	0.2
68.19322	0.2
69.69910	1.3
73.02815	0.6
83.71455	0.2
95.10085	0.3
98.20561	0.3
104.78666	0.2
119.54837	0.2
173.24030	0.2
253.85960	0.2
377.28613	0.3
393.31525	0.3
407.29956	0.3
453.30182	21.0
454.30505	3.2
471.31296	5.0
472.31674	0.6
483.31253	12.9
484.31613	2.6
501.32324	100.0
502.32678	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	501.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.4
60.99197	1.1
69.03330	0.3
71.04918	1.2
73.02826	0.3
75.94035	0.2
91.96841	0.2
109.06456	0.3
113.74453	0.2
143.00572	0.2
146.08736	0.2
229.42000	0.2
307.20633	0.5
323.23822	1.0
335.23880	0.8
337.25424	0.3
353.24945	0.8
359.26221	0.5
363.26950	1.9
367.26526	0.5
369.24442	0.3
371.26215	0.4
377.28720	1.3
379.30173	1.9
380.30490	0.4
383.25961	0.4
387.25537	0.3
391.30124	1.1
392.30899	0.3
407.29425	0.5
409.31284	4.9
410.31412	0.4
421.30725	0.3
422.31128	0.3
423.29050	0.5
425.30893	0.5
439.31927	0.4
453.30115	1.4
454.30566	0.3
457.33551	1.2
471.31244	33.4
472.31619	4.6
483.31372	0.5
501.32327	100.0
502.32684	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	501.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18203	0.2
59.69841	0.2
66.57066	0.2
71.12520	0.4
122.26634	0.2
148.71065	0.2
150.98958	0.3
165.72603	0.2
234.61227	0.2
332.36670	0.2
377.28619	0.9
407.29550	0.7
453.30176	62.7
454.30499	10.6
454.36975	0.3
455.31854	0.3
471.31186	4.1
472.31509	0.6
483.31061	0.3
501.32300	100.0
502.32648	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	501.3232
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01250	0.4
63.42447	0.4
68.45918	0.4
70.34747	1.5
70.35084	0.4
84.66064	0.4
144.08209	0.4
173.48055	0.4
189.12854	1.0
379.29916	0.5
405.28064	1.7
406.28348	0.5
409.28186	0.6
413.34308	1.0
421.31204	15.6
422.31531	1.8
423.29129	15.0
424.29529	2.3
439.32220	15.0
440.32632	1.8
457.33432	5.6
458.33508	0.8
469.33319	1.8
483.31207	3.1
484.31781	0.7
501.32336	100.0
502.32678	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	501.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94994	0.3
57.03331	1.1
58.00488	0.3
59.01262	11.2
61.98722	1.5
65.50139	0.3
69.03352	0.5
71.01272	4.0
71.04914	2.0
71.57146	0.4
73.02850	1.3
75.00751	0.4
80.96417	0.4
83.01289	0.7
83.04920	1.1
85.02841	1.4
87.00788	0.6
89.02332	2.0
95.01348	0.3
96.95934	0.4
97.06491	1.7
101.02351	2.2
102.49350	0.3
109.02874	0.3
113.02376	1.2
119.03439	0.6
119.04947	0.7
119.08610	0.3
121.02845	1.1
123.04461	0.4
125.02341	2.9
126.02735	0.7
127.02869	0.4
131.03448	0.9
135.02939	1.1
135.04469	1.2
137.02396	1.1
138.02701	0.3
161.04547	1.0
162.03102	0.3
162.33795	0.3
163.03931	0.6
165.01833	0.8
167.03476	0.5
177.01889	0.4
179.03490	1.3
179.05582	0.4
179.10760	0.4
189.01956	0.3
193.05116	0.6
209.11896	0.3
211.68570	0.3
269.53064	0.3
272.13965	0.5
302.15195	0.3
305.22839	0.4
309.22290	2.7
341.06989	0.4
342.38431	0.3
349.21851	0.4
354.02896	0.3
369.19382	1.1
370.98965	0.3
371.26465	0.4
387.21982	0.6
403.25323	1.2
425.31110	0.5
437.30896	0.7
439.20114	0.4
439.33044	0.6
455.32312	0.6
457.29819	0.9
465.11926	0.5
483.19797	0.6
483.31665	2.3
484.31927	0.5
501.32523	100.0
502.25192	1.6
502.32773	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79150	0.2
57.03316	0.4
59.01248	0.5
60.99174	0.3
68.02294	0.2
69.63379	0.2
69.94071	0.4
69.94480	1.0
71.04902	0.3
73.02792	0.3
83.04906	0.3
87.58218	0.2
98.20477	0.4
100.71326	0.2
118.97735	0.2
119.08593	0.2
164.75540	0.2
205.15999	0.3
215.14288	0.3
248.73886	0.3
255.17592	0.6
257.19031	0.3
273.18652	0.4
307.23965	0.3
321.20633	0.5
367.26129	0.3
373.25269	0.6
373.29333	0.3
375.26920	0.6
377.24908	0.6
379.30240	0.4
389.28561	1.7
391.26080	1.2
391.30676	0.4
392.26965	0.3
393.28128	1.0
405.27850	0.3
407.29736	5.5
408.29962	0.9
409.31369	1.3
423.28995	0.3
425.30542	0.3
437.30679	4.9
438.30893	0.9
439.32480	1.6
453.30048	0.4
455.31750	40.3
456.32104	6.2
457.33331	0.6
471.31284	3.8
472.31430	0.6
483.31216	0.8
501.32327	100.0
502.32706	16.1
502.38495	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37655	0.1
69.82644	0.1
70.35374	0.5
98.20583	0.1
120.70929	0.1
122.26266	0.1
166.24945	0.1
243.38109	0.1
252.61122	0.1
267.68723	0.1
407.29434	0.1
409.31097	0.1
453.30280	0.3
501.32291	100.0
502.32639	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	501.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18854	0.1
55.01767	0.3
59.01261	2.1
66.97909	0.1
69.57071	0.5
69.57482	0.5
71.01263	0.3
73.02840	0.3
80.40853	0.1
83.04913	6.1
84.05251	0.2
97.06489	0.3
98.19801	0.3
101.02309	0.4
119.08566	0.3
135.15642	0.2
146.58911	0.1
179.03453	0.2
181.42320	0.2
190.49011	0.2
197.37206	0.1
305.22678	1.3
306.23291	0.2
321.22235	0.3
323.23911	0.2
341.25076	0.2
353.24506	0.2
355.24326	0.4
371.27731	0.2
375.27057	0.2
387.27084	0.9
388.09216	0.2
389.24661	0.4
391.30219	0.4
405.28049	2.3
406.28418	0.3
417.27795	0.9
423.28976	0.3
429.30328	1.3
430.30408	0.2
435.29034	0.6
441.30014	0.4
451.28613	0.7
453.30173	0.2
457.33319	1.3
458.33667	0.2
461.52646	0.2
465.30597	0.3
471.31229	0.8
483.31247	15.2
484.31540	2.4
489.32480	0.3
501.32309	100.0
502.32675	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	501.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44535	0.2
50.75646	0.2
51.81105	0.2
59.01263	2.4
63.75279	0.2
70.45854	0.6
70.46240	0.4
77.85356	0.2
82.38698	0.2
83.04408	0.3
83.04911	5.5
87.80085	0.2
97.06495	0.6
119.08549	0.4
121.81582	0.2
128.05441	0.3
137.02373	0.4
165.01976	0.3
166.02104	0.3
240.04590	0.2
288.06030	0.3
305.22809	1.0
355.24384	0.4
373.27979	0.3
387.26959	0.7
391.30231	0.6
405.28198	2.5
417.27982	0.8
429.30048	1.2
439.32123	0.5
441.29752	0.3
451.28363	0.6
453.30136	0.3
457.33359	1.4
471.31284	1.0
483.31265	14.4
484.31616	1.7
489.32532	0.4
501.32318	100.0
502.32660	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	501.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77038	0.2
57.03335	1.1
59.01261	100.0
60.01597	1.0
61.98713	2.4
64.16018	0.2
70.37321	0.2
71.01267	2.0
73.02847	0.8
75.00758	0.4
75.30691	0.2
83.01254	1.3
85.02850	1.0
89.02359	0.9
90.98823	0.2
95.01276	0.4
95.04926	0.5
97.02859	0.8
98.20589	0.5
101.02348	1.5
108.02007	0.3
109.02852	1.8
111.00784	5.2
111.22726	0.2
113.02333	0.9
121.02888	0.7
123.04478	1.7
125.02361	6.0
126.02728	1.7
127.02865	0.8
128.52994	0.2
135.02890	0.6
135.04451	0.5
137.02374	3.0
138.02827	0.3
139.02878	0.4
139.03935	0.6
145.02994	0.3
146.03706	0.6
147.04129	0.3
149.02422	0.7
151.03983	1.1
154.99774	0.5
161.04520	0.6
161.06012	0.8
163.03940	0.4
164.01195	0.6
165.01883	1.2
166.02171	0.6
167.03497	0.5
173.00871	2.4
174.03189	0.4
175.03920	0.4
177.01921	0.3
179.03459	1.3
187.03937	0.6
188.04675	0.3
191.05556	0.6
203.07104	1.1
205.05052	1.1
211.04149	0.3
245.08234	1.7
289.07224	8.0
290.07498	0.8
319.89749	0.3
327.21735	0.3
360.89261	0.3
373.29382	0.3
378.25504	0.3
393.27838	0.3
407.29611	0.7
427.28543	0.3
437.30734	0.4
439.20786	0.3
441.25070	0.4
441.30435	0.6
455.31671	4.2
456.32431	0.6
457.18823	0.5
457.29575	0.8
483.19571	1.0
501.21277	7.5
501.32379	16.9
502.21909	0.6
502.32910	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06361	0.3
56.86677	0.4
57.03333	0.8
59.01260	5.7
60.99184	0.6
61.98711	0.6
69.00821	1.6
69.03336	0.7
71.01271	2.4
71.55860	0.5
73.02837	1.5
75.00732	0.7
78.01021	0.4
80.96391	0.4
82.50382	0.3
83.04918	0.5
85.02843	1.3
89.02327	1.4
96.95909	1.3
99.00788	0.5
100.49215	0.3
101.02341	1.1
107.01290	0.4
113.02353	2.7
119.04943	1.3
119.08560	0.9
125.02322	0.5
131.03426	0.3
134.03687	0.5
135.02936	0.6
135.04440	0.6
137.24727	0.4
151.00279	0.6
155.08585	0.5
161.04495	1.1
163.03976	1.1
165.20802	0.3
168.87224	0.4
178.99722	0.6
189.12794	0.5
191.01831	0.5
193.05135	0.4
255.02997	0.7
271.02731	0.4
285.04199	0.5
301.03784	0.7
311.18204	0.7
327.21320	0.7
337.09323	0.6
343.20575	0.6
343.24365	1.1
355.24335	1.5
357.22064	0.6
357.26041	1.4
359.20157	0.4
359.23859	0.5
359.27548	4.1
360.28073	0.4
361.25830	0.4
371.23825	0.4
373.25397	3.4
375.23077	0.5
375.26990	3.6
376.27316	0.6
377.24692	0.6
377.28641	4.3
379.26187	0.5
389.28751	0.6
391.26199	2.8
392.27100	0.4
393.28079	3.1
394.35291	0.4
395.29919	0.6
403.30319	2.0
405.28146	3.1
407.25632	1.1
407.30255	1.7
409.26865	1.9
409.31604	1.2
411.29184	3.2
421.27588	1.5
423.23660	0.5
423.29160	7.1
424.29492	1.0
425.30713	24.1
426.31033	3.1
437.31201	0.6
439.33179	2.2
440.32776	0.5
441.30209	3.8
453.26151	0.6
455.27634	0.7
457.33408	33.5
458.33795	4.4
459.31247	10.1
460.31732	1.2
467.28064	1.5
469.29730	1.6
470.29373	0.5
483.31320	1.3
491.17810	0.4
501.32349	100.0
502.09384	0.4
502.32672	14.8
503.30518	1.3
504.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.1
59.01256	1.1
70.80405	0.4
70.80755	0.4
73.02816	0.4
78.95795	1.5
84.86892	0.2
89.37045	0.2
97.06470	1.4
102.81675	0.2
109.44344	0.2
110.74426	0.3
117.37668	0.2
152.99503	0.3
153.09100	0.3
189.37036	0.2
194.99808	0.3
235.35863	0.3
242.08005	0.9
277.21765	18.8
374.26126	0.3
381.28076	0.4
387.30481	0.5
389.28604	4.1
391.30344	0.5
405.27502	0.6
405.32291	0.4
406.28726	4.5
407.29401	1.6
421.26199	0.4
421.31308	6.2
421.36398	0.2
422.31586	0.6
423.32816	9.6
424.33121	1.2
439.33298	1.5
453.30215	0.7
455.31415	0.9
457.33401	0.5
467.31750	0.7
469.33298	100.0
470.33627	14.0
483.31232	1.2
501.32535	17.8
502.32166	2.3
513.32300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74967	1.0
59.01260	2.7
65.00200	2.3
65.99747	1.3
69.82439	6.5
70.38763	1.0
70.89954	1.1
75.69526	1.2
83.01254	2.2
85.02853	2.6
85.04320	1.1
87.00738	1.2
101.02372	1.2
107.01283	6.2
109.02904	1.8
121.02936	1.6
124.01585	1.2
124.61491	1.2
125.02345	3.6
134.02419	1.2
135.04433	1.0
137.02399	2.1
140.56940	1.2
143.05019	1.5
147.03206	1.3
147.04518	1.5
149.02431	1.3
151.00307	23.0
152.01118	3.0
158.02412	1.5
159.04465	1.5
161.02370	2.6
163.00333	2.3
164.01079	1.8
169.01381	2.5
171.04434	1.4
175.00389	1.7
175.02652	1.2
176.03452	1.4
177.01883	5.0
178.99832	18.1
179.07266	1.6
180.00076	1.1
186.01924	6.0
187.03976	3.6
188.72739	1.3
193.01398	1.9
202.01451	2.8
203.03665	6.6
211.04016	2.5
215.03445	7.3
217.01422	1.7
227.03503	3.5
231.02963	4.0
232.03746	2.2
239.03595	1.7
240.02942	1.4
241.01477	2.5
242.02232	5.7
243.03011	8.1
245.00963	1.7
245.04568	1.3
255.02962	3.9
255.05499	1.4
259.02518	11.8
260.02744	1.5
267.03137	2.3
270.01794	1.9
271.02515	17.2
272.02997	7.2
273.03827	1.4
282.04245	5.2
283.02530	4.1
284.03061	2.0
285.04077	3.7
287.02023	39.8
288.02603	9.6
289.03564	2.2
294.04169	1.9
298.01166	3.9
299.01968	1.8
300.02908	1.4
301.03659	1.7
310.03723	7.2
311.01669	10.2
312.02081	1.6
312.05188	5.3
313.03406	1.7
315.01532	100.0
316.02225	29.0
317.02795	22.7
318.03214	4.2
326.03036	1.4
328.02063	2.3
329.02982	10.1
337.02188	2.4
338.03152	36.8
339.03821	13.5
340.04672	14.2
355.03494	20.2
356.04147	21.9
357.04590	1.6
375.01129	1.2
435.09396	5.2
462.08127	28.3
463.08234	2.4
464.09225	22.8
465.09579	2.7
475.09006	3.9
484.08966	5.2
502.10046	83.6
503.10239	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	502.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03042	0.0
55.87474	0.0
59.01263	1.1
59.98404	0.1
71.01259	0.3
71.13474	0.1
71.13804	0.0
78.95792	6.6
83.04901	0.2
90.79075	0.0
96.96851	0.1
97.06480	0.1
99.04413	0.1
113.92744	0.0
122.98472	0.0
127.07563	0.2
141.09212	0.1
152.99522	0.7
168.04262	1.9
169.51437	0.0
171.00603	0.1
183.13750	0.0
194.05763	0.1
197.11766	0.0
205.19614	0.1
224.06923	1.4
233.15666	0.0
233.22820	0.3
242.08008	3.6
243.08380	0.1
259.20663	0.5
275.20203	0.5
276.20627	0.1
277.21765	100.0
278.22107	7.2
343.13000	0.0
439.32095	0.1
485.33093	0.4
502.29495	10.9
503.29645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.0
57.03332	2.5
58.00476	2.1
59.01262	51.7
60.01603	0.5
61.98719	0.4
68.99668	0.2
69.03333	1.2
71.01266	54.3
71.56561	0.2
72.01605	0.6
72.99190	3.0
73.02833	14.6
75.00764	1.3
81.03342	0.7
83.01273	4.9
84.49508	0.2
85.02838	14.8
86.00008	0.3
86.03191	0.4
87.00769	2.9
89.02334	46.3
90.02659	0.7
95.01273	2.6
97.02853	2.2
99.00774	12.6
99.04417	0.6
100.01138	0.2
101.02341	36.9
102.02696	0.8
103.97523	0.2
109.02849	0.4
111.00774	0.9
113.02351	17.6
114.02678	0.3
115.03906	1.9
118.35486	0.2
119.03406	11.3
121.32026	0.2
125.02354	4.2
127.03872	0.2
129.01822	0.5
131.03421	5.7
135.04402	0.3
143.03421	3.3
147.02875	0.2
149.04489	11.2
149.38945	0.2
150.04825	0.4
151.00282	0.4
151.11180	0.2
152.01082	0.2
154.32028	0.2
159.02957	1.1
161.04494	9.6
165.12793	0.6
179.03407	0.4
179.05565	6.3
180.05792	0.2
191.01825	0.3
191.05582	3.4
191.14320	0.9
209.15520	1.2
215.05533	0.4
221.06593	0.4
233.06674	2.4
251.07671	0.8
275.07483	0.2
281.33710	0.3
293.08798	2.0
311.14966	0.2
371.20789	22.4
372.21124	2.0
400.64005	0.2
441.29993	0.3
445.63635	0.2
503.24698	100.0
503.33298	21.1
504.25040	13.2
504.33688	2.8
513.69073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2507
Annotation	Foliasalacioside B2
Peak:m/z	Relative Intensity
55.01770	2.0
57.03339	2.0
58.00485	1.7
59.01263	42.8
60.01591	0.6
69.03342	1.3
70.51117	0.5
70.51468	0.2
71.01267	48.6
71.04898	0.3
72.01603	0.6
72.99200	2.7
73.02832	13.9
75.00769	1.0
81.03355	0.5
83.01275	4.8
85.02840	13.7
85.99993	0.2
86.03176	0.2
87.00767	2.3
89.02335	38.1
90.02694	0.4
95.01277	2.7
97.02852	2.2
99.00776	10.2
99.04449	0.5
100.01062	0.2
101.02343	32.7
102.02687	0.5
109.02834	0.3
111.00793	0.9
113.02351	16.1
114.02682	0.4
115.03904	1.9
117.01903	0.2
119.03412	8.7
123.04510	0.2
125.02364	4.3
127.03891	0.3
129.01848	0.6
131.03426	5.2
135.04456	0.6
143.03430	3.0
149.04491	9.9
152.62427	0.2
154.82076	0.2
159.02956	1.6
161.04489	9.3
162.04840	0.3
163.03891	0.2
165.12834	0.5
167.70378	0.2
179.03334	0.2
179.05576	4.7
179.07159	0.2
189.38251	0.2
191.05576	2.8
191.14426	0.6
209.15454	1.6
214.15390	0.2
215.05597	0.2
221.06754	0.3
233.06667	2.3
234.06973	0.2
238.35899	0.2
251.07715	0.6
275.07748	0.2
293.08875	2.3
294.09113	0.3
295.09317	0.3
311.15112	0.2
371.20804	25.6
372.21194	2.8
423.28992	0.4
503.25064	100.0
503.33676	23.4
504.25385	12.2
504.33994	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	503.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71150	0.7
55.01780	1.1
57.03336	4.1
58.00460	0.8
59.01263	100.0
60.01606	0.9
61.98712	3.4
69.37405	1.6
69.37813	6.5
71.01269	20.1
71.04907	2.8
72.99179	0.9
73.02831	4.8
75.00785	1.6
80.96369	0.8
83.01260	3.0
85.02843	17.8
87.00758	2.6
87.04401	1.6
89.02341	7.2
91.56538	0.7
93.03357	7.3
95.01277	2.5
96.57877	0.7
96.95962	0.9
97.02844	0.8
99.00771	2.4
101.02346	9.8
104.32100	0.9
109.02895	0.9
113.02341	10.8
116.92795	1.1
119.03434	2.5
119.04941	2.0
121.02808	1.0
125.02369	4.2
129.01805	1.1
131.03407	4.3
135.02884	2.0
135.04456	4.6
136.01613	3.6
137.02373	10.0
140.29118	0.8
143.06975	0.9
147.02916	3.3
149.04520	1.4
151.00317	1.3
151.03943	5.8
152.01135	1.1
152.99484	0.9
153.01903	1.1
154.34470	0.8
159.02905	1.2
161.02370	1.0
161.04469	4.9
163.03961	1.2
165.01845	1.1
178.99857	1.3
179.03439	2.9
179.05499	1.3
191.01881	4.6
193.05014	1.0
209.33966	0.7
220.38704	0.8
290.25342	0.8
309.22473	1.1
311.15250	1.1
319.62213	0.8
339.23416	4.3
351.80182	0.8
357.13391	3.4
371.20721	6.4
389.23718	0.9
399.23962	17.0
400.24219	2.2
405.26779	0.8
417.25104	5.2
441.30350	1.3
443.19528	0.8
455.27631	1.2
459.26407	2.6
485.29343	1.9
487.40088	0.8
503.14896	1.0
503.18625	1.5
503.34799	36.6
504.34937	4.2
508.94687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3391
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.98567	0.2
71.04896	0.4
71.06597	0.4
83.04964	0.1
83.43287	0.2
86.69446	0.1
110.84876	0.1
114.71696	0.2
119.08553	0.3
128.44225	0.2
207.90768	0.2
233.43356	0.2
313.45837	0.2
320.06683	0.2
343.24295	0.2
357.25897	0.6
359.27594	0.5
373.25278	0.3
375.26675	0.3
377.28629	0.2
378.73438	0.2
389.28677	1.2
391.25906	0.2
391.30209	0.6
393.31665	0.5
403.26141	0.2
403.30661	0.2
407.29614	3.2
408.29834	0.6
409.31262	1.0
410.31723	0.2
419.29773	0.5
423.33240	0.2
425.30710	0.5
427.32181	0.3
437.30759	0.2
441.34027	0.9
442.33896	0.2
443.32007	0.4
453.30353	0.6
457.33359	2.7
458.33810	0.5
459.34732	0.7
460.34927	0.2
473.32751	0.3
485.32867	3.2
486.33246	0.5
503.33890	100.0
504.34244	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13621	0.1
53.75370	0.1
57.03313	0.1
59.01259	0.5
71.01260	0.4
72.45141	0.1
73.02824	0.1
75.00773	0.1
85.02833	0.3
89.02334	0.2
98.20509	0.2
101.02332	0.2
107.28488	0.1
110.67876	0.1
113.02351	0.2
127.72579	0.1
130.29901	0.1
135.02965	0.2
135.04414	0.1
145.85768	0.1
160.73517	0.1
161.04541	0.1
161.06012	0.1
163.04041	0.1
163.43585	0.1
179.03345	0.1
218.46182	0.1
229.67427	0.1
286.00262	0.1
319.24203	0.2
332.73898	0.1
368.47897	0.1
386.01971	0.1
409.31262	0.2
411.32977	0.2
423.28955	0.2
427.32339	0.2
441.34149	0.1
441.79117	0.1
485.32907	0.4
503.33859	100.0
504.34225	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	503.3389
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
60.99180	0.9
62.99596	0.2
70.12421	0.2
71.04908	2.6
71.13520	0.3
71.13853	0.4
72.76907	0.3
76.35881	0.3
88.13268	0.2
101.84534	0.3
109.06216	0.2
229.06319	0.3
297.25351	0.3
303.21188	0.7
319.24335	2.4
351.26981	0.6
357.25845	0.4
369.27838	1.5
389.27182	1.6
401.27075	0.8
413.27057	0.4
421.31879	0.3
457.33231	0.6
463.43222	0.2
485.32785	0.9
486.33908	0.3
503.33875	100.0
504.34219	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	503.3388
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
68.20737	0.2
69.40484	1.6
69.40897	0.5
70.20602	0.2
71.04881	0.5
76.96045	0.2
119.08545	0.5
258.36380	0.3
267.20425	0.2
357.21783	0.2
357.25906	1.0
359.27545	0.3
373.29062	1.0
374.29541	0.3
377.28705	0.3
379.30051	0.3
389.28479	1.2
391.25806	0.3
391.30157	1.0
393.31799	0.6
407.29630	3.0
408.30237	0.3
409.31436	1.0
419.29504	0.8
425.30603	0.3
435.29388	0.2
437.30228	0.3
441.33838	0.8
443.31970	0.5
453.29987	0.5
457.33414	1.8
459.34781	0.6
471.31223	0.3
485.32800	11.5
486.33258	1.5
503.33878	100.0
504.34253	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38974	0.2
59.01256	1.1
68.30898	0.2
69.31141	0.9
69.31577	1.9
72.99187	0.4
86.92061	0.2
93.38670	0.2
221.87434	0.3
256.88809	0.3
269.68674	0.3
318.53323	0.3
407.29575	0.4
409.27078	0.3
413.30603	0.6
419.21744	0.3
427.32315	0.6
429.33835	1.4
439.32263	1.0
441.34003	0.6
457.33359	15.8
458.33749	2.2
459.34793	0.8
467.31793	0.6
469.33603	0.7
485.32925	1.2
486.33698	0.3
503.33917	100.0
504.34302	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	503.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29879	0.5
69.30302	1.2
82.89535	0.2
89.36102	0.2
98.19831	0.3
101.22279	0.2
113.66945	0.2
157.88844	0.2
171.48914	0.2
339.83487	0.2
409.31210	0.2
455.31006	0.6
503.33865	100.0
504.34244	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	503.3391
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.03330	0.2
58.00473	0.3
59.01259	0.2
59.98412	0.8
62.36205	0.1
69.23703	0.2
71.04916	1.0
71.49606	0.3
71.57618	0.1
73.02827	0.2
76.67696	0.1
83.04914	0.3
110.93951	0.1
111.08720	0.1
119.08568	0.3
136.92085	0.1
148.59383	0.1
148.89249	0.2
208.97014	0.2
293.21448	0.2
347.26266	0.2
361.25586	0.3
367.26556	0.3
375.26996	0.2
377.28592	2.6
378.28943	0.2
387.28717	0.2
391.30457	0.3
393.27460	0.2
393.31998	1.0
395.29807	0.3
401.28601	0.2
407.29498	0.2
409.31525	0.2
419.29565	0.4
421.27313	0.6
421.31436	0.5
423.32986	1.8
424.33313	0.3
425.34763	1.8
426.34628	0.3
437.30505	0.3
439.32669	0.7
441.33868	0.5
443.31702	0.9
453.30157	0.6
457.33304	0.3
459.34976	0.6
469.33304	2.1
470.33701	0.5
471.31235	0.3
473.33136	0.2
485.32925	10.0
486.33292	1.9
503.33929	100.0
504.34299	15.5
504.42178	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3389
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.30147	0.1
57.03325	0.2
59.01262	1.6
61.98716	0.1
66.80741	0.1
69.03332	0.1
69.41648	0.6
70.28178	0.1
71.01269	1.1
71.04897	0.1
72.99198	0.1
73.02831	0.3
73.78168	0.1
83.01271	0.2
85.02841	0.9
87.00760	0.1
89.02333	0.8
93.03365	0.1
95.01295	0.1
96.15572	0.1
96.95922	0.2
97.02885	0.1
97.06510	0.3
99.00765	0.2
100.00848	0.1
101.02339	0.4
109.02867	0.3
113.02353	0.3
115.03932	0.1
119.04913	0.1
123.00793	0.1
125.02393	0.7
131.03409	0.2
135.00775	0.1
135.02902	0.1
135.04445	0.3
137.02414	0.1
147.02919	0.2
148.05241	0.2
149.04494	0.3
151.00290	0.1
153.01888	0.7
178.99736	0.1
179.05623	0.1
191.01955	0.4
191.05621	0.1
217.83815	0.1
233.06625	0.2
242.72440	0.1
293.08771	0.7
311.14978	0.1
319.24182	0.1
329.37115	0.1
341.01242	0.1
361.23987	0.1
387.57031	0.1
393.28134	0.1
407.29483	0.1
409.30862	0.2
423.28458	0.1
425.30655	0.2
427.32245	0.3
441.30463	0.1
443.18970	0.1
467.12234	0.2
503.33896	100.0
504.34235	14.4
504.42004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.5
60.73672	0.3
70.44195	1.0
71.07484	0.3
71.09853	0.3
78.74191	0.3
79.27935	0.3
99.41383	0.3
101.10380	0.3
129.91013	0.3
160.84183	2.8
263.29672	0.3
383.11316	0.6
393.91104	0.3
423.32895	0.4
425.30551	0.5
427.32306	0.5
429.33777	1.0
439.32236	1.0
441.34033	0.6
457.33301	13.0
458.33771	1.9
459.34943	0.8
467.31976	0.9
468.03607	0.6
469.33234	0.3
485.32947	2.6
486.32837	0.5
503.33868	100.0
504.34192	15.3
511.04825	0.4
521.96161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01160	0.4
59.34396	0.4
62.86714	0.4
70.44202	1.5
80.01756	0.4
85.43473	0.4
97.06356	0.7
107.43053	0.4
236.66141	0.4
259.62338	0.4
337.39130	0.4
343.20499	0.4
382.29504	0.5
387.30661	5.1
388.31033	0.7
389.28656	4.7
390.28699	0.9
405.31689	1.4
406.28668	1.6
421.31445	0.5
423.32715	9.2
424.32916	1.4
439.28503	1.5
441.33792	0.5
455.31662	1.0
457.33292	0.7
467.32013	3.2
468.32062	0.8
469.33298	100.0
470.33603	14.2
485.32520	1.2
494.74167	0.5
503.33923	14.9
504.34161	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	503.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54693	0.1
59.01260	0.5
70.13638	0.1
70.91827	0.3
71.01292	0.2
71.04903	0.2
73.02832	0.3
98.16859	0.1
147.33931	0.1
148.70766	0.1
150.13252	0.1
169.58427	0.1
205.15944	0.2
231.17537	0.1
251.16579	0.2
312.53983	0.1
342.74368	0.1
377.28580	0.4
391.30212	0.1
405.17194	0.1
407.29654	0.5
424.69092	0.1
425.34406	0.2
441.34103	0.7
455.31799	0.4
469.33389	0.2
471.96817	0.1
485.32852	0.5
500.54620	0.1
503.33893	100.0
504.34259	15.6
504.42096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59085	0.3
59.01248	1.3
59.83805	0.3
61.98701	0.7
65.44075	0.4
69.94214	1.7
71.04907	0.4
71.65990	0.4
72.99154	0.4
79.54718	0.3
83.35096	0.3
91.74271	0.4
139.88766	0.4
145.19855	0.3
158.84657	0.5
160.84157	5.0
174.55756	0.3
183.87840	0.3
196.88515	0.4
345.13937	0.5
351.85141	0.4
383.11444	0.7
405.16034	0.5
427.32120	0.7
429.33743	1.0
438.45428	0.3
439.32349	0.7
441.33633	1.0
457.33292	13.6
458.33569	2.0
459.34448	1.0
467.31802	1.1
468.03317	1.3
469.33630	0.8
485.32886	4.7
486.33328	0.7
503.33908	100.0
504.34299	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	504.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15171	1.7
54.57897	1.5
56.92405	1.7
59.01262	14.6
64.47745	1.7
65.00208	4.8
65.03881	2.0
65.99737	4.6
68.38128	1.7
69.57015	13.0
71.01292	2.3
78.72450	1.6
83.01276	2.6
85.02848	5.8
89.02322	2.9
93.03355	4.4
95.01285	4.0
99.00777	3.2
101.02371	2.0
107.01314	7.4
108.02112	3.4
109.02862	32.5
111.00784	3.4
119.01291	2.6
121.02869	9.8
123.00813	9.3
124.01598	3.8
125.02378	7.1
133.02876	7.1
134.02391	13.6
135.00826	7.7
136.01677	1.9
137.02393	27.1
139.00328	3.4
139.03937	5.2
146.02388	3.4
146.03676	1.7
146.05025	1.5
147.00822	6.9
147.04494	2.5
148.01605	70.8
149.02402	34.3
150.03117	6.0
151.00311	23.7
151.03967	2.6
152.01079	6.5
153.01868	5.1
158.02448	5.3
159.04498	2.5
160.03990	2.8
161.02367	5.6
162.01923	29.1
163.00331	23.2
163.02672	5.0
163.03931	3.0
164.01088	5.5
164.03485	20.1
165.01901	3.9
166.99762	1.9
167.03496	2.3
168.23491	1.7
171.04518	1.8
175.00346	12.3
175.03949	2.4
176.01140	5.5
176.03514	4.8
177.01904	91.1
178.02359	3.0
178.99835	12.6
179.03523	3.0
180.00537	3.2
181.01431	4.5
183.04604	1.9
185.06181	1.8
186.01932	18.3
186.03362	2.7
187.04010	3.7
189.01996	3.2
189.05560	3.5
190.01324	10.3
190.99849	2.3
191.02185	15.5
191.03644	2.9
192.00563	4.4
192.02910	2.5
193.01350	7.3
199.03999	8.4
201.01894	2.7
201.05518	3.4
202.01308	7.9
202.99849	26.1
203.02122	6.0
203.03764	2.3
204.03021	58.9
205.01486	4.1
205.03329	3.4
206.99330	2.5
208.02507	2.0
211.03902	1.8
214.01495	7.0
215.03453	4.8
217.05087	2.4
221.00935	3.8
222.04079	5.8
226.02812	2.8
227.03471	9.2
229.04980	2.8
230.00938	40.0
231.01248	3.0
231.03188	2.5
233.04643	3.3
239.03464	2.7
241.05086	2.2
242.02296	2.2
243.03064	12.2
245.04582	6.2
247.01225	2.3
248.02028	1.8
250.05186	2.6
255.03029	8.4
259.02542	3.0
267.03012	2.4
269.00891	1.9
269.04608	4.4
270.01630	2.7
270.04333	2.2
271.02536	30.3
272.03320	10.7
272.05887	2.9
273.04083	9.2
282.04214	2.7
283.02518	2.9
284.03265	4.0
285.04196	8.6
287.02057	3.1
288.02728	4.1
294.04153	6.9
295.02362	2.4
295.05344	2.1
295.08344	5.7
296.05789	4.3
299.01990	32.0
300.02670	16.4
301.03418	5.2
310.03482	3.8
311.04584	1.9
312.05276	2.1
313.03564	17.8
313.09372	2.6
314.04102	3.0
316.02222	13.3
317.03024	23.1
318.03192	2.4
322.03604	18.9
323.04324	4.6
327.07294	10.8
328.07278	2.4
339.03818	16.7
339.07394	18.0
340.01044	5.2
340.04642	50.7
341.05154	3.9
341.08871	6.1
350.08948	3.6
357.04965	14.4
358.05655	18.7
367.06671	3.4
368.09915	56.6
369.10522	3.6
394.07864	71.8
395.08313	4.6
419.09854	5.2
437.11014	2.1
443.06705	1.8
446.08670	3.7
463.08826	13.6
486.10532	26.6
487.10907	2.5
503.33911	5.0
504.11630	100.0
504.34064	3.7
505.12119	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03336	0.4
59.01260	2.1
63.02287	0.4
65.00199	1.3
69.28500	3.8
71.01276	2.1
73.02837	1.0
79.05978	0.5
83.01287	0.9
85.02848	0.9
87.00763	0.4
89.02319	0.6
90.21332	0.4
91.01779	0.5
93.25505	0.4
99.00794	0.6
101.02350	0.9
107.01283	3.6
108.02079	1.3
109.02843	2.0
113.02338	0.7
119.01264	0.5
119.04880	0.4
121.02857	1.7
124.01550	0.4
125.02357	1.3
135.00822	0.9
135.04413	0.6
137.02379	0.4
148.01547	1.7
150.99133	0.8
151.00301	10.9
152.00990	0.3
159.04456	0.6
161.02344	0.6
163.00330	3.2
163.03952	0.6
164.01038	0.7
165.47372	0.4
169.01414	0.5
174.03259	0.4
178.99838	4.7
183.04428	0.5
185.06149	0.4
190.02522	0.6
190.99806	0.6
192.00459	0.6
196.87134	0.4
198.03258	0.8
199.03868	1.6
201.01860	0.5
211.03931	1.4
215.03513	0.9
216.04266	1.0
226.02704	5.4
227.03522	4.4
228.04172	0.6
229.05013	1.0
243.03012	17.4
244.03409	1.2
245.04524	1.2
254.02255	5.2
255.03009	27.2
256.03394	1.8
271.02518	87.2
272.02957	7.2
273.04010	1.1
283.02490	1.7
299.01981	1.7
300.02798	100.0
301.03516	38.4
302.03885	2.9
310.07065	0.4
343.04758	0.7
357.92538	0.4
372.21222	0.6
463.09033	1.8
504.24496	0.7
504.31357	0.7
505.09970	93.1
506.10217	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	505.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.3
69.40559	0.3
70.86246	0.5
70.86578	0.4
78.95789	13.6
83.04965	0.4
96.96906	0.8
107.10064	0.3
112.56949	0.3
115.69492	0.3
127.11351	0.3
146.63802	0.3
152.99515	17.9
168.04298	0.8
171.00555	1.9
224.06923	0.5
227.03242	3.5
242.08041	1.2
245.04314	1.8
245.96698	0.3
259.20618	0.5
275.20184	0.8
277.21762	100.0
278.22098	8.4
278.25003	0.6
279.23337	19.6
280.23679	34.0
281.24118	1.6
504.31299	0.4
505.25638	37.9
505.31522	3.5
506.26010	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	505.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27043	1.0
55.41142	1.2
57.03331	2.6
59.01266	12.2
60.33340	0.9
63.32341	1.0
67.01752	1.1
67.60159	1.0
69.03324	4.6
69.41725	6.9
69.42148	2.5
71.00893	1.8
71.01267	20.9
72.99192	3.2
73.02828	1.3
75.00766	11.5
78.95778	1.9
83.01257	4.8
85.02837	18.0
87.00761	5.2
89.02318	3.9
91.03886	1.4
95.01276	4.9
96.95906	5.3
99.00786	12.2
111.00790	3.5
113.02355	27.8
115.00270	1.0
115.09065	1.1
117.01853	1.4
131.03400	1.7
141.84988	1.0
152.99556	2.2
157.01314	1.8
171.10191	1.0
205.07133	2.4
209.11844	1.1
223.08061	1.2
223.24954	1.0
249.03874	1.3
249.06194	16.2
255.23331	84.2
256.23712	6.6
267.07294	4.9
357.32944	1.3
448.95337	1.4
450.50436	1.2
487.34634	1.2
505.30124	100.0
506.30478	17.1
519.03162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48494	20.7
59.01264	66.9
70.91633	48.7
70.91982	26.1
78.95781	61.8
82.98515	20.4
96.57484	25.4
96.92109	20.7
152.99539	43.3
180.04691	20.2
197.11789	68.5
216.93561	23.4
277.21777	100.0
289.18231	47.6
294.71274	23.8
307.19293	71.9
454.05127	21.9
505.25510	77.5
505.31720	53.3
531.68506	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	505.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63834	1.0
57.03336	2.2
59.01251	3.4
59.77366	1.0
64.13373	1.3
65.94291	0.8
66.30124	0.8
71.56808	1.2
83.04885	1.2
97.06497	4.8
109.06444	0.9
111.08023	1.6
127.11255	1.4
128.16264	1.1
133.06438	1.0
151.11192	16.0
153.12791	2.4
167.10666	1.0
169.12280	31.1
170.12636	1.3
171.10150	1.3
179.14392	2.0
181.12306	2.6
195.10222	2.4
197.11848	2.0
207.13974	1.8
213.11311	27.0
215.12993	1.6
221.71970	0.9
228.13557	1.0
247.20763	2.5
263.20139	1.5
273.18698	2.1
281.21310	1.3
291.19690	22.6
291.22733	1.8
292.20334	1.4
309.20755	100.0
310.20990	7.4
400.33264	1.1
425.30774	1.3
443.31876	1.7
487.30853	4.2
488.31406	1.4
505.32034	14.5
506.32413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06849	0.2
53.42742	0.2
55.01748	0.3
57.03316	0.7
58.92443	0.2
59.00991	0.3
59.01261	4.1
69.03346	0.3
69.69619	0.5
69.70034	1.0
71.01270	3.5
71.04911	1.5
72.99184	0.4
73.02832	1.8
74.64252	0.2
78.95772	0.9
80.53230	0.2
83.01266	0.6
83.04895	1.0
85.02838	1.6
87.00774	0.3
89.02317	1.0
89.82653	0.2
97.02827	0.6
98.19802	0.4
99.00759	0.4
101.02354	2.2
111.00790	0.3
113.02333	1.1
117.15928	0.2
119.03411	0.3
123.08088	0.3
125.02325	0.3
137.09625	0.3
140.01082	0.4
146.56612	0.2
159.02856	0.3
161.04523	1.0
165.12793	0.5
171.10229	0.3
191.05460	0.2
197.11754	0.5
202.49496	0.2
209.11777	0.9
237.14862	0.2
291.19739	2.0
293.39255	0.3
309.20782	2.9
325.24878	0.2
343.28323	0.6
347.27402	0.9
365.28568	0.2
377.28491	0.6
387.26892	0.6
389.28546	2.4
390.28448	0.2
391.26266	0.3
393.27872	0.5
395.25323	0.3
405.27838	0.8
407.29541	1.7
411.29572	1.3
417.30087	0.6
421.27646	0.2
423.28955	0.3
425.30695	0.4
437.27069	2.5
438.26862	0.4
443.31683	0.4
445.29373	0.9
447.23129	0.3
473.29031	0.5
487.30719	12.8
488.31085	1.7
505.31744	100.0
506.25067	3.5
506.32071	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	505.3183
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
50.06849	0.2
53.42742	0.2
55.01748	0.3
57.03316	0.7
58.92443	0.2
59.00991	0.3
59.01261	4.1
69.03346	0.3
69.69619	0.5
69.70034	1.0
71.01270	3.5
71.04911	1.5
72.99184	0.4
73.02832	1.8
74.64252	0.2
78.95772	0.9
80.53230	0.2
83.01266	0.6
83.04895	1.0
85.02838	1.6
87.00774	0.3
89.02317	1.0
89.82653	0.2
97.02827	0.6
98.19802	0.4
99.00759	0.4
101.02354	2.2
111.00790	0.3
113.02333	1.1
117.15928	0.2
119.03411	0.3
123.08088	0.3
125.02325	0.3
137.09625	0.3
140.01082	0.4
146.56612	0.2
159.02856	0.3
161.04523	1.0
165.12793	0.5
171.10229	0.3
191.05460	0.2
197.11754	0.5
202.49496	0.2
209.11777	0.9
237.14862	0.2
291.19739	2.0
293.39255	0.3
309.20782	2.9
325.24878	0.2
343.28323	0.6
347.27402	0.9
365.28568	0.2
377.28491	0.6
387.26892	0.6
389.28546	2.4
390.28448	0.2
391.26266	0.3
393.27872	0.5
395.25323	0.3
405.27838	0.8
407.29541	1.7
411.29572	1.3
417.30087	0.6
421.27646	0.2
423.28955	0.3
425.30695	0.4
437.27069	2.5
438.26862	0.4
443.31683	0.4
445.29373	0.9
447.23129	0.3
473.29031	0.5
487.30719	12.8
488.31085	1.7
505.31744	100.0
506.25067	3.5
506.32071	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	505.3547
Annotation	Lycernuic acid D
Peak:m/z	Relative Intensity
51.17546	0.4
57.03343	0.8
58.00441	0.5
59.01273	3.3
60.99201	3.4
70.15678	1.7
71.01254	1.4
71.04904	4.7
71.44748	0.5
83.04893	1.5
85.02827	0.7
85.06475	2.2
89.02316	0.6
95.04920	0.4
95.24361	0.5
97.06507	0.6
99.08044	0.6
101.02383	0.9
102.57156	0.6
137.09573	0.5
156.25061	0.5
161.78453	0.5
189.12779	0.9
193.24643	0.4
205.15952	5.7
206.16362	0.6
209.11928	1.0
291.19672	0.6
305.21396	1.2
307.20822	0.5
309.20834	2.0
321.22311	0.6
325.25372	0.5
327.19565	0.7
336.44812	0.5
337.25397	1.1
339.23358	0.7
360.23129	0.6
383.71442	0.5
387.25308	0.5
391.12610	0.4
393.28210	1.0
395.29684	1.5
405.31509	0.6
407.33548	0.7
409.31143	1.4
411.32913	3.6
412.32913	0.5
423.32620	1.5
425.34393	29.3
426.34802	3.9
427.32861	0.7
427.97845	0.5
439.32120	0.7
441.33908	7.7
442.34064	1.0
443.35394	100.0
444.29520	0.8
444.35721	15.6
455.31808	0.5
457.33414	2.0
461.36465	2.0
475.34329	5.5
476.35159	0.8
485.32944	0.8
487.34415	49.9
488.34781	7.3
505.34903	10.8
506.25220	1.0
506.31219	0.9
506.36926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58572	0.1
59.01263	1.0
71.01266	0.4
71.57531	0.2
72.99188	0.2
85.02816	0.2
89.02339	0.3
96.95895	0.2
101.02332	0.3
108.02075	8.4
109.02348	0.2
127.32430	0.1
138.01897	100.0
139.01167	0.1
139.02234	2.9
146.69531	0.2
151.02701	0.2
167.77208	0.1
168.51553	0.2
178.09695	0.1
300.10229	0.3
315.12442	1.2
327.12595	0.2
374.15567	0.2
487.50043	0.2
506.19711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
56.46970	1.0
57.03350	1.5
58.00466	1.0
59.01265	37.9
60.01605	2.6
61.98700	4.2
68.25230	0.9
69.03317	1.1
71.01270	16.3
71.04898	1.2
71.58129	1.1
72.99205	1.1
73.02827	4.1
75.00762	3.6
78.95795	19.0
79.36229	0.9
83.01276	2.1
83.04892	3.3
85.02846	6.3
86.62468	1.0
87.00756	1.6
89.02331	6.1
95.01297	1.1
95.04935	0.9
97.06504	2.1
99.00770	1.7
101.02342	8.9
102.02654	1.1
105.03350	1.8
106.61798	0.9
109.02797	1.7
111.08034	3.9
111.21126	0.9
113.02356	5.3
113.09628	2.2
115.07526	2.0
119.03403	2.6
119.04905	1.3
121.02868	1.2
123.04478	1.4
133.02884	17.9
134.03650	13.5
135.02899	9.3
135.04453	3.3
137.02368	4.3
139.03915	3.1
140.01112	8.2
141.09157	1.7
150.03151	1.5
152.99522	2.8
154.36104	1.0
161.04428	3.6
161.05997	3.6
162.04820	1.0
163.03946	1.3
165.12769	4.9
167.10678	1.0
167.14343	2.0
177.01860	7.8
178.02690	9.4
179.03397	3.3
181.12280	3.6
183.13809	1.9
187.03957	1.9
193.12292	3.5
195.13907	2.2
196.03770	7.8
197.11827	14.8
209.11853	4.7
210.12299	4.6
211.13385	13.7
214.04819	7.5
221.15376	1.7
227.03444	1.1
229.14368	1.1
247.20723	4.3
263.20105	1.5
264.83414	1.0
273.18570	3.7
281.21225	1.7
291.19724	31.7
292.20044	3.4
296.05511	2.3
309.14981	3.5
309.20764	100.0
310.21155	9.3
327.15985	5.3
343.28751	1.7
344.28900	1.7
345.17099	14.5
371.15213	7.1
389.16010	4.5
488.30923	2.2
505.34445	7.7
506.25226	67.5
506.33383	28.2
507.18735	6.8
507.25653	7.3
507.33774	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46238	0.5
59.01262	8.3
71.01276	3.0
71.11975	1.0
72.99194	4.4
75.00759	49.7
85.02844	0.5
87.00754	0.8
89.02329	6.6
95.01277	2.0
96.95925	0.6
99.00815	0.5
101.02287	0.6
103.06263	0.5
109.02836	0.8
117.01856	3.3
134.03664	0.5
135.02917	100.0
136.03267	1.8
151.03981	0.9
158.03746	0.6
159.04472	1.2
160.05247	1.8
172.05255	9.8
173.05875	1.5
183.04576	1.2
185.06001	1.4
186.06839	1.1
187.03976	2.4
196.05353	0.6
197.06071	2.6
198.06781	0.9
199.03976	9.4
200.04802	6.2
201.05527	1.9
202.06311	1.8
204.04251	1.3
211.04016	1.9
211.07487	1.0
213.05530	0.8
214.06334	1.1
227.03491	32.1
227.49481	0.6
228.04245	17.4
229.04691	1.5
232.03711	0.6
239.14499	0.5
250.93810	0.5
255.13875	0.8
257.15546	1.8
267.13895	1.0
283.13452	49.9
284.13766	4.8
299.16684	1.1
301.14496	14.5
302.14795	1.2
309.14999	14.9
310.15356	1.6
311.12918	7.3
312.13254	0.6
315.18207	1.1
325.14505	3.6
327.12396	2.1
327.16086	8.2
329.13989	5.0
335.12784	0.8
343.15430	1.1
345.13498	1.1
345.17148	14.0
346.17468	1.3
353.13977	10.9
354.14481	1.2
371.15045	98.4
372.15372	7.7
414.25403	0.6
447.22205	1.1
507.18402	1.4
507.32892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.4
60.09113	0.4
61.98707	1.4
63.61413	0.4
69.53040	3.4
71.01262	2.9
72.99200	2.6
73.02832	1.3
75.00764	24.1
84.87756	0.5
85.02855	0.8
89.02336	5.0
95.01274	0.7
101.02364	2.0
101.63786	0.4
109.82227	0.4
111.75854	0.4
117.01851	1.6
119.39480	0.4
120.51713	0.4
131.03416	1.1
133.02852	0.9
134.03667	1.0
135.02924	65.0
136.03259	1.1
159.04489	0.7
160.05269	2.3
163.06052	1.7
172.05238	5.2
173.06007	1.0
185.06030	0.9
186.06819	1.1
187.03947	1.9
196.05293	0.5
197.06039	1.9
198.06755	0.7
199.03954	3.3
200.04727	1.9
201.05470	1.4
202.06337	1.7
204.04324	1.1
205.07072	0.8
211.03946	0.7
211.07748	0.7
211.13380	1.4
214.06387	0.6
227.03481	10.7
228.04289	9.8
229.04631	0.7
242.05806	0.5
257.15591	0.9
267.13971	0.5
281.15402	1.0
282.71954	0.5
283.13470	32.0
283.16785	1.1
284.13751	1.9
299.16702	1.0
301.14474	10.5
302.14911	1.2
309.15021	16.4
310.15457	1.4
310.48984	0.5
311.12973	3.3
325.14587	2.0
327.12335	2.8
327.16068	10.8
328.16373	1.1
329.14008	3.8
330.14532	0.5
343.15576	1.0
345.13565	1.4
345.17148	19.8
346.17407	1.6
353.14026	14.0
354.14346	1.3
371.15067	100.0
372.15393	11.4
372.20120	0.5
389.16125	0.7
447.22452	0.8
489.17892	0.6
507.18753	5.9
508.18576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00508	0.8
59.01264	22.4
69.30818	1.1
69.31221	4.2
71.01270	9.0
71.01624	0.9
72.99197	3.4
73.02835	1.3
75.00762	36.0
85.02847	1.7
87.00745	0.8
89.02336	16.7
91.36025	0.4
99.00787	1.3
99.12952	0.5
101.02332	4.8
113.02344	3.4
117.01837	1.9
119.03410	1.9
120.96503	0.5
121.02899	0.5
131.03412	7.1
132.02084	3.5
133.02861	1.5
134.03664	2.9
135.02919	89.3
136.03250	2.4
137.02354	0.7
143.03365	0.6
148.05267	0.6
149.04492	5.5
158.03572	0.5
159.04437	1.0
160.01607	14.8
161.02054	1.0
161.04507	0.8
162.03195	1.3
163.03871	0.6
171.04428	0.7
172.05168	2.8
174.03183	4.4
176.04759	1.7
177.01852	1.1
178.02687	2.6
179.05565	2.4
183.04324	0.5
184.05287	0.6
185.02409	1.4
186.03146	1.0
187.03967	1.1
188.04710	1.0
191.05605	2.8
199.03986	2.0
200.01172	0.7
200.04752	5.8
200.64223	0.5
202.02699	1.2
202.06284	0.9
211.07584	0.5
211.13383	3.4
213.05556	1.5
214.06265	0.6
227.03529	2.0
228.04179	2.5
228.07837	0.6
257.15488	2.5
281.15405	2.6
283.13483	5.1
297.15091	0.5
299.16583	10.0
300.16885	1.4
301.14496	1.8
309.14975	6.3
315.18301	0.6
317.17435	1.2
325.14499	9.6
326.14777	1.2
327.12192	1.0
327.16083	18.3
328.16507	1.3
329.14053	1.1
343.15549	22.0
344.15884	1.7
345.17175	9.9
346.17545	1.7
353.13989	7.1
354.14264	1.1
371.15045	100.0
372.15433	10.4
389.16336	0.9
395.36160	0.6
447.22321	5.9
448.23209	0.6
507.18668	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39980	0.3
59.01260	0.8
71.05623	0.8
73.91036	0.3
78.95792	11.0
96.96839	0.9
152.99524	17.9
171.00583	1.4
227.03262	3.2
245.04379	1.5
261.22293	0.6
279.23334	100.0
280.23672	8.6
415.22366	0.4
421.05585	0.3
507.27374	43.4
508.27762	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	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
69.31983	14.6
73.80626	1.4
78.95794	9.6
152.99516	11.2
182.07294	1.4
190.12360	1.6
191.80548	1.3
227.03258	1.8
240.09227	1.6
245.04303	1.5
279.23361	100.0
280.23712	8.0
316.14832	1.6
348.54163	1.7
471.35028	11.4
507.27344	38.4
508.27402	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	509.2893
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
64.74402	0.5
78.95791	19.1
96.96859	1.5
128.22020	0.4
134.98494	0.5
152.99516	33.3
153.99774	0.5
171.00607	1.8
186.56494	0.5
193.13666	0.4
227.03279	3.5
229.34990	0.6
245.04373	2.4
281.24905	100.0
282.25256	9.4
300.02917	0.5
321.81729	0.5
360.80740	0.4
447.09381	0.8
509.28912	62.4
510.29300	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	509.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26958	18.3
58.62487	16.0
59.01266	23.3
59.56843	14.6
61.78334	15.1
61.98714	28.4
63.52615	15.2
70.45697	54.6
119.13538	17.3
129.40726	19.7
158.36191	16.6
255.02936	18.8
296.02792	15.1
300.02960	29.1
301.03558	20.1
372.29251	16.3
410.08881	16.9
447.09381	63.2
480.07693	23.4
509.30527	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	510.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17181	0.8
58.61763	0.9
61.98711	17.2
62.39354	0.8
65.00190	2.0
65.30706	0.8
69.48238	7.5
69.48579	0.9
75.04287	1.2
82.81409	0.9
92.38342	0.9
102.49413	0.9
107.01288	3.2
108.02086	1.0
109.02856	3.3
121.02871	4.0
121.16415	1.1
148.01628	1.5
149.02481	1.1
151.00304	15.6
154.50787	1.2
163.00346	4.7
165.37546	1.0
178.99869	5.6
187.03957	1.2
211.03996	2.3
226.02768	1.4
227.03484	3.5
229.04942	1.5
243.02939	8.9
245.04651	2.9
254.02223	2.8
255.03000	23.8
255.05515	1.8
256.03461	3.0
271.02521	48.4
272.02988	3.9
273.04184	1.8
283.02600	2.3
287.78079	1.1
299.02203	1.2
300.02808	68.0
301.03531	48.2
302.03979	2.2
385.26886	1.2
447.09399	100.0
448.09668	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	510.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.9
60.01588	0.1
60.83704	0.1
61.98714	100.0
62.39121	0.2
62.98417	0.2
71.01272	0.6
71.56726	0.2
75.84700	0.1
85.02848	0.4
87.00780	0.2
89.02331	0.4
96.95904	0.2
99.00793	0.2
101.02324	0.3
108.02117	0.2
113.02357	0.4
125.02364	0.3
135.02933	0.2
149.36089	0.1
151.00337	0.3
152.01022	0.2
153.01695	0.2
157.12289	0.5
178.99788	0.2
211.13414	0.5
212.13773	0.7
213.13931	0.4
214.14278	0.2
239.29785	0.2
243.02995	0.3
255.03090	0.6
271.02585	0.7
300.02829	1.9
301.03595	1.7
316.18652	0.2
318.19159	0.2
374.69815	0.2
385.09933	0.2
447.09354	3.8
448.09702	0.3
450.23737	0.4
510.19962	0.3
511.18820	0.4
511.30591	0.2
538.82410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53349	0.1
57.03354	0.1
57.38853	0.1
59.01259	0.8
61.98713	100.0
62.98420	0.1
63.93274	0.1
71.01283	0.4
71.57767	0.1
71.58155	0.1
78.95825	0.1
85.02841	0.2
89.02348	0.5
99.04445	0.2
101.02348	0.3
101.37089	0.1
114.62120	0.1
119.04926	0.2
121.02840	0.2
123.04436	0.1
125.02306	0.2
135.02910	0.1
141.09845	0.1
149.04475	0.1
151.00308	0.2
178.99768	0.3
200.77855	0.1
201.05499	0.1
210.37732	0.1
231.10284	0.1
255.03038	0.4
267.19727	0.3
268.20010	0.2
269.20453	0.3
271.02573	0.7
277.17044	0.1
283.11166	0.1
295.17993	0.1
300.02759	1.3
301.03574	1.4
312.19409	0.1
313.19440	0.2
349.16711	0.4
374.16141	0.1
379.25467	0.1
405.13614	0.2
419.14874	0.2
434.17377	1.3
437.03040	0.1
442.21579	0.1
447.09378	1.6
448.09805	0.3
450.23544	0.4
478.16281	0.9
479.17126	0.2
510.18530	0.5
510.24188	0.4
510.30838	0.1
511.19501	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98075	4.5
59.01250	8.7
63.02258	5.5
65.00208	17.9
69.39559	46.8
71.01260	10.4
72.99213	5.4
73.02843	5.2
81.03329	5.7
83.01263	6.6
88.98706	11.0
95.01284	16.2
99.00777	16.6
101.02318	8.7
107.01283	22.1
108.02094	6.8
109.02849	19.6
111.00797	25.3
119.04922	7.2
121.02875	7.9
123.00817	30.3
125.02378	40.4
131.04971	7.2
133.02873	8.2
135.00832	5.8
135.04485	5.9
136.98685	10.3
137.02339	21.8
139.00296	48.7
141.01866	8.8
145.02899	9.8
147.02870	5.8
147.04381	6.4
149.02420	12.0
149.99460	6.7
151.00316	55.6
152.01085	16.2
153.01909	13.3
154.99765	23.4
159.04433	13.5
161.02348	15.8
163.00330	19.5
163.03957	12.3
164.01071	10.2
164.98218	7.6
165.01849	15.4
165.98926	6.4
166.99843	39.4
168.00458	8.1
169.01366	18.0
173.02383	8.5
175.03958	17.2
175.53535	4.4
177.01889	27.6
178.99802	74.0
179.03624	4.4
181.01381	18.2
184.00021	7.5
185.00893	6.1
185.02411	9.7
187.03915	13.1
189.01842	14.8
190.02568	9.0
190.99834	18.5
191.03473	10.7
193.01413	27.4
193.04965	7.7
194.99321	39.5
197.00856	7.7
201.01869	14.3
203.03470	36.9
205.01376	17.2
206.99298	11.9
208.00081	11.1
209.00856	22.4
213.01912	6.4
215.03479	8.5
217.01434	13.7
218.02197	10.6
219.02937	10.3
221.00848	12.9
221.04568	6.5
229.01486	24.3
230.02112	10.2
231.02989	54.7
233.00882	8.6
233.04662	5.3
235.02396	9.7
245.00800	12.2
247.02408	17.0
249.04070	53.8
251.01839	6.8
257.01001	16.9
259.02512	60.1
259.99744	5.6
261.00400	13.9
273.00391	7.4
274.01218	8.8
275.02051	51.4
276.02341	5.5
276.99823	13.9
277.03485	13.4
285.00482	17.2
287.02069	11.5
300.99948	8.5
302.00546	5.8
303.01520	100.0
304.01730	12.1
316.02271	19.1
317.03049	8.6
319.01282	5.9
319.17844	6.8
320.01538	9.6
321.02441	16.5
328.99454	20.6
329.08765	10.9
331.01160	22.9
341.08826	8.6
343.06656	11.4
347.00540	46.2
348.00751	7.3
355.06812	37.3
359.06161	15.7
364.04407	10.9
365.05145	10.8
385.07883	12.0
395.09988	7.7
421.07581	9.3
439.08841	13.0
449.07538	11.1
450.54678	6.4
461.15320	5.3
463.09091	17.9
467.08511	36.4
481.10153	7.9
493.06332	22.2
511.07657	37.4
512.09491	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	27.1
63.02292	6.8
65.00205	10.6
69.55740	5.1
71.01265	11.6
72.99197	4.9
83.01279	13.9
85.02854	7.0
88.98724	5.0
89.02332	11.2
93.03363	4.7
95.01268	15.1
96.57673	5.3
98.20586	11.4
99.00821	11.9
101.02345	8.9
101.90969	4.8
107.01273	18.7
108.02082	10.5
109.02795	10.7
111.00774	22.0
113.02357	10.1
121.02926	8.6
123.00795	33.4
124.98724	5.6
125.02354	36.7
131.04919	5.5
135.04533	7.2
136.98813	4.6
137.02383	16.7
139.00298	29.1
141.01833	8.9
142.14557	4.8
145.02924	6.2
145.16710	4.8
148.84644	4.1
149.02448	5.3
151.00299	55.9
152.01082	16.3
153.01871	16.9
154.99771	15.4
159.04427	14.4
161.02394	12.3
161.04491	5.4
163.00308	17.6
163.03938	8.9
164.01102	9.4
165.01843	14.4
165.98996	10.2
166.99814	34.8
169.01340	12.9
173.02403	5.2
175.03993	10.0
177.01891	23.4
178.99805	69.7
181.01389	11.9
184.00040	5.6
187.04016	11.3
189.01988	9.4
190.02809	6.1
190.99835	7.2
191.03491	10.2
192.00655	5.9
193.01350	24.2
194.99310	46.6
197.00906	10.2
202.60609	5.7
203.03426	34.9
205.01373	18.1
206.99345	11.2
207.02963	6.4
208.00070	9.5
209.00928	15.5
213.02036	10.9
217.01422	9.3
219.03000	21.3
221.00914	12.7
221.04356	6.6
229.01355	19.5
230.02057	6.8
231.02972	57.1
233.00880	8.9
239.95734	4.6
245.00941	15.1
247.02516	24.0
249.04005	38.0
257.00888	11.5
259.02603	41.8
259.05136	7.7
261.00439	9.1
273.00415	10.5
274.01093	10.8
275.02078	45.2
276.02512	6.9
276.99860	14.2
277.03619	9.3
285.00360	15.1
287.02139	9.4
301.00098	8.8
301.03510	6.2
302.00925	10.5
303.01477	100.0
304.02032	11.7
316.02261	20.7
317.03244	7.3
319.01050	10.9
319.17712	18.4
320.01715	7.6
321.02518	13.9
328.99490	20.9
329.08752	4.5
331.00964	18.4
343.06796	7.3
347.00482	40.8
348.00980	4.6
355.06723	27.7
359.06128	19.0
364.04178	10.5
365.01498	5.5
365.05408	6.6
371.05856	7.4
385.07983	9.3
421.07870	15.5
439.08499	11.6
449.07059	10.2
451.22137	14.2
463.08878	11.1
467.08478	32.1
481.09741	6.3
493.06500	21.6
511.07706	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
59.01269	6.4
61.98690	1.3
63.02275	3.1
63.90958	1.1
65.00209	7.3
67.01801	1.3
68.99714	1.8
69.98723	5.5
71.01266	4.0
72.99161	1.3
73.02829	1.6
79.01793	2.1
81.03383	1.7
83.01272	4.4
85.02860	2.4
87.00767	1.5
89.02342	2.4
92.99712	2.1
93.03372	2.2
95.01262	5.9
96.95892	2.3
96.99168	1.5
99.00785	2.6
101.02355	1.9
106.00485	3.2
107.01282	7.4
109.02845	4.1
109.99991	1.9
110.40532	1.2
111.00781	12.8
119.04932	2.9
121.02853	2.5
123.00803	12.6
124.01571	3.7
124.98730	2.0
125.02365	11.5
127.00291	1.7
128.89366	1.5
131.04990	2.0
133.02936	1.6
135.00728	3.1
135.04492	2.1
137.02396	8.0
139.00284	13.2
139.03905	1.2
140.01039	4.1
141.01859	2.7
143.04953	2.1
145.02856	2.4
147.04454	2.9
148.01501	1.7
148.98764	2.5
149.02397	3.4
149.99518	3.6
151.00296	24.4
151.03905	1.4
152.01056	4.2
153.01883	5.3
154.99789	4.5
157.02927	1.6
159.04420	6.0
161.02332	4.6
161.06102	1.3
163.00305	6.5
163.03914	3.3
164.01088	4.3
164.98238	4.0
165.01932	6.1
165.98991	2.2
166.99808	6.3
168.00572	7.6
169.01353	4.0
171.04395	3.2
173.02449	3.6
174.03142	2.3
175.03952	5.4
176.01076	2.0
177.01901	6.1
177.98988	3.8
178.99821	56.2
179.03351	2.3
180.00444	4.1
181.01503	1.3
185.02409	2.2
187.03996	8.0
189.01904	6.6
190.02626	5.9
190.99788	5.3
191.03452	6.5
192.00534	3.8
193.01465	11.9
194.99309	5.0
197.00830	1.6
199.04024	1.5
201.01860	5.3
202.02626	2.8
203.03510	18.1
205.01353	7.4
206.02124	3.3
206.99321	3.6
207.02959	3.9
208.00211	1.4
209.00742	1.5
213.01924	4.2
214.02637	1.4
215.03444	7.6
217.01411	8.4
218.02097	4.0
219.02911	9.1
220.03665	2.1
221.00809	1.8
222.01624	3.0
222.98819	4.3
229.01447	6.2
231.03035	14.7
232.00392	1.2
232.03360	2.7
233.00996	3.6
233.04628	6.3
235.02333	2.2
238.82953	1.4
241.01514	4.3
242.02228	1.9
243.02998	7.4
245.00975	6.0
246.01698	4.0
247.02611	3.2
248.03249	11.1
249.03932	3.6
257.00909	5.2
258.01727	4.3
258.99942	1.7
259.02539	22.0
261.00424	10.7
261.03778	1.5
262.00946	1.8
263.02127	2.6
271.02438	1.8
274.01242	2.6
275.01996	7.2
276.02664	5.3
277.03601	5.0
285.00421	5.8
286.01114	2.2
287.02029	55.4
288.02490	4.1
302.00827	3.9
303.01520	23.9
304.02213	13.1
305.02982	5.0
312.99933	14.3
314.00296	1.7
315.01462	5.2
316.01944	1.6
320.01691	1.5
321.02451	1.8
330.00116	1.8
331.01004	100.0
332.01471	8.6
348.01105	10.2
349.02051	4.4
359.06348	11.1
371.06427	8.9
385.07800	1.6
404.26044	1.5
411.09277	6.5
423.05688	1.9
425.06964	1.9
439.08508	2.5
449.06912	2.0
467.08420	9.0
475.05051	3.8
483.07816	3.5
493.06253	22.2
494.06946	3.2
511.07285	60.6
511.24243	2.5
512.07965	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	511.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01260	2.3
61.98712	3.3
63.96125	1.1
69.03320	0.7
71.01265	4.9
71.16932	0.6
71.17282	0.8
71.63458	0.5
73.02849	1.5
78.06912	0.5
78.98475	5.5
79.95622	7.7
80.58442	0.4
80.96410	50.7
85.02831	2.0
87.00761	1.7
88.98716	0.6
89.02356	0.5
94.97382	0.9
94.97983	13.6
96.95929	1.2
97.02840	1.4
99.00753	1.1
101.02343	3.5
102.89200	0.5
106.98009	2.7
120.39301	0.4
122.97503	4.6
125.02365	3.5
134.97513	2.9
135.02954	0.5
136.99048	1.3
139.38339	0.6
146.97514	0.5
148.99081	5.4
149.99463	0.6
151.00322	0.5
152.98589	6.3
164.98584	10.9
168.00632	0.5
182.99590	2.5
188.98532	0.6
206.99692	2.5
211.13416	4.4
212.13734	1.4
225.00746	19.2
226.01057	0.7
243.01836	1.7
243.82954	0.5
279.10602	0.5
299.04480	2.6
448.09940	1.1
511.18646	100.0
512.18994	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	511.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	45.1
60.01605	0.3
61.98692	0.2
66.42059	0.1
69.67532	0.4
69.67944	0.8
71.01283	0.2
80.04922	0.3
81.03354	3.2
83.04913	10.4
84.05273	0.2
107.06053	0.3
108.04447	0.4
109.02895	0.2
113.53629	0.2
125.02391	0.3
125.07101	1.1
143.08185	0.7
151.00333	0.3
153.02016	0.2
178.99788	0.3
193.01540	0.2
207.15018	1.4
224.17667	2.2
225.16083	9.3
226.16489	0.4
231.03026	0.3
242.16550	0.2
242.18651	0.9
267.76959	0.2
309.21738	0.2
318.90015	0.2
324.26672	0.9
331.01108	0.3
333.23041	2.1
351.24109	0.8
367.27289	1.3
433.31915	5.2
434.32141	0.6
451.32971	100.0
452.33322	12.4
452.38174	0.2
511.34711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31711	2.1
59.01261	27.6
60.25561	2.4
60.61512	2.0
69.48993	12.2
69.49403	4.8
70.51547	2.1
71.01273	24.3
72.99176	3.7
73.02849	2.5
79.20924	2.1
80.04948	2.2
80.49413	2.1
85.02843	6.5
87.00780	6.2
88.72923	2.2
89.02346	17.2
89.89252	2.3
96.95900	3.7
97.81539	2.3
101.02338	15.8
108.04477	2.4
110.05958	2.2
113.02349	6.9
119.03419	9.4
121.05215	2.2
121.48051	2.1
122.06028	11.8
136.07625	4.1
138.05521	3.7
138.22789	2.1
148.03990	3.5
150.05576	3.5
159.04439	2.0
165.04256	4.8
166.05115	5.7
166.32683	2.2
174.12799	2.7
179.05467	3.8
184.11267	3.2
187.47739	2.1
188.07158	2.2
190.88351	2.1
199.87050	2.0
202.12361	7.3
204.06595	3.7
216.06644	5.4
217.07356	5.8
229.09898	7.2
231.09241	3.6
231.11360	23.5
246.11452	10.5
253.09750	2.2
270.10107	3.2
271.10913	33.9
272.67178	2.1
328.10309	3.0
346.11447	5.0
397.13861	6.6
427.18146	2.4
451.17181	31.2
452.17532	4.5
469.18381	8.6
470.18610	2.5
495.16422	7.8
513.17371	100.0
514.17676	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	513.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83593	0.8
57.03324	2.0
58.00477	1.6
59.01262	36.9
61.88427	0.8
61.98712	1.4
62.89653	0.8
71.01264	22.6
71.06631	2.1
72.99176	2.1
73.02834	2.4
80.04939	1.7
83.01259	1.3
85.02847	6.9
87.00762	5.1
89.01830	1.5
89.02335	17.5
94.31088	0.8
95.01278	1.8
96.95905	1.5
98.20588	0.7
99.00777	1.6
101.02342	15.8
108.04443	2.7
113.02354	9.2
119.03428	8.3
120.04443	1.6
121.05231	3.8
122.06049	11.0
125.02382	1.6
136.03920	2.0
136.07590	1.8
138.05551	5.2
140.07097	1.0
143.03394	1.5
148.03949	2.3
149.04707	2.3
150.05528	5.6
151.00278	0.9
159.06824	1.3
161.04530	1.3
162.05576	0.9
165.04292	4.4
166.04976	4.3
172.07596	1.1
173.08392	1.7
174.12825	2.4
175.06306	1.3
179.05565	1.3
184.11258	4.2
188.07117	2.6
189.07849	1.6
189.20508	1.0
202.12358	8.5
203.12637	1.2
204.06657	7.3
204.10329	1.3
213.06633	1.8
216.06619	5.0
216.08740	1.6
217.07359	3.8
218.08173	1.7
227.08211	1.4
228.10248	2.8
229.09822	6.9
230.08179	1.3
231.09076	1.2
231.11369	22.1
232.11711	2.6
238.07529	1.1
241.09792	1.4
243.11317	1.3
246.11388	8.6
253.09831	3.6
255.11253	1.2
256.08694	1.0
270.10211	3.0
271.10913	26.9
272.11481	1.5
328.10419	1.0
346.11459	2.5
372.09695	1.0
381.64627	1.1
390.10529	1.4
397.13864	5.5
408.16983	1.1
426.17810	1.8
433.16071	2.9
451.17294	26.6
452.17737	2.6
469.18182	6.5
470.17621	1.9
495.16257	7.8
513.17328	100.0
514.17664	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	513.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	100.0
57.65512	0.6
58.03664	1.0
59.01262	61.5
61.98722	1.3
66.37613	0.6
69.03337	1.3
69.40891	6.1
70.01357	0.7
71.01266	23.4
72.99210	1.9
73.02832	12.4
80.91581	4.2
81.03371	2.0
81.42089	0.7
83.01286	4.8
85.02835	4.5
89.02336	15.4
95.01310	2.0
96.95942	1.9
97.02866	1.1
97.06486	0.8
99.00793	1.0
99.04414	88.5
99.13464	0.7
100.04769	2.2
101.02342	38.7
108.02095	2.6
109.02900	1.2
110.97944	0.7
113.02346	11.5
113.05994	1.6
119.03416	6.5
123.04430	7.6
125.02360	29.9
127.33549	0.6
131.03458	2.1
135.04422	0.7
137.02377	0.7
141.05496	0.7
143.03424	3.8
149.04449	4.7
151.00276	1.5
152.01118	2.5
153.01903	1.1
153.05547	0.9
161.04491	10.3
163.04016	0.7
165.01909	0.9
179.05580	8.4
192.59320	0.7
194.92845	0.7
221.06633	5.0
227.03606	1.8
229.05148	1.4
250.42567	0.9
255.03062	4.0
261.09952	1.1
284.03299	4.8
285.04147	9.1
297.12088	0.9
307.02362	0.7
315.07285	5.3
318.04437	0.7
411.20569	1.4
431.09845	6.6
437.19037	1.1
473.97916	1.0
510.26752	0.7
513.09619	0.7
513.23853	15.3
514.23993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03339	0.2
58.00486	0.2
59.01263	6.2
59.98415	0.0
60.01607	0.1
60.22629	0.0
68.31333	0.0
69.03343	0.1
71.01267	4.8
71.13802	0.0
71.14150	0.1
72.01608	0.1
72.99191	0.3
73.02832	1.0
75.00765	0.0
83.01273	0.6
83.04906	0.1
85.02839	1.1
85.99976	0.1
87.00768	0.6
89.02335	3.7
90.02666	0.1
91.03898	0.2
95.01288	0.4
97.02844	0.2
97.06525	0.1
99.00768	0.2
99.04434	0.1
101.02344	4.5
102.02670	0.1
103.03902	0.1
106.70609	0.0
111.00784	0.0
111.04423	0.1
113.02357	1.9
113.05999	0.1
115.03916	0.1
119.03413	0.9
125.02366	0.2
127.03861	0.0
127.07569	0.3
131.03421	0.2
132.32504	0.0
133.04999	0.3
141.09171	0.1
143.03413	0.4
145.04962	0.1
149.04454	0.1
157.04996	0.1
161.04503	1.6
162.04932	0.0
179.05553	0.5
180.06075	0.0
182.13110	0.1
183.13724	0.0
187.06123	0.1
205.19530	0.1
217.07077	0.0
233.22795	0.4
235.08237	1.3
236.08598	0.1
253.09317	16.4
254.09724	0.7
259.20709	0.4
275.20142	0.3
277.21765	100.0
278.22101	9.2
361.45407	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38083	0.1
55.01773	0.2
57.03340	0.1
58.00495	0.2
59.01260	5.5
60.01606	0.1
61.98699	0.1
66.35568	0.1
66.55014	0.1
71.01266	4.1
71.56832	0.1
72.99197	0.3
73.02832	0.9
83.01269	0.6
83.04912	0.2
85.02837	1.1
87.00749	0.5
89.02332	2.9
91.03885	0.2
95.01297	0.3
97.02851	0.1
99.00790	0.2
99.04418	0.1
100.40273	0.1
101.02338	3.7
102.02654	0.1
103.03902	0.2
113.02351	1.8
119.03402	1.0
124.00913	0.1
125.02357	0.2
127.07574	0.2
129.06659	0.1
131.03398	0.1
133.05006	0.3
143.03442	0.4
152.99544	0.2
157.05003	0.1
161.04489	1.6
179.05594	0.4
187.06088	0.1
213.23654	0.1
217.07201	0.1
233.22719	0.3
235.08224	1.5
253.09305	15.0
254.09695	0.7
259.20740	0.3
259.68271	0.1
275.20169	0.3
277.21756	100.0
278.22101	8.7
453.30316	0.2
478.35397	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.0
59.01252	8.9
61.98713	16.5
71.01283	5.4
73.02814	1.6
78.98488	1.4
79.95657	1.4
80.96404	7.4
81.03324	1.3
83.04886	1.1
85.02821	2.7
88.62185	1.0
89.02310	1.8
94.97993	2.4
95.04884	1.4
96.95894	4.7
99.04379	3.1
101.02344	3.6
109.02152	1.5
109.02864	24.1
110.03198	1.1
113.02325	1.2
119.04948	2.7
122.97437	1.2
123.04433	13.4
125.02335	4.0
133.02872	4.0
135.04436	2.2
137.02321	2.2
145.02884	1.5
147.04440	4.9
148.99048	1.5
150.03230	2.0
151.03981	8.1
153.01894	1.1
159.04419	2.1
161.02409	9.3
161.04433	1.8
165.01901	1.5
176.01050	1.7
176.79047	1.1
177.01886	25.7
178.02341	1.3
179.03448	2.2
187.03867	1.4
189.01900	53.0
190.02701	12.2
191.03468	13.3
203.03445	6.5
203.07323	1.1
216.00635	7.4
217.01421	45.9
218.01904	4.4
219.02988	18.2
225.00781	1.9
231.03017	16.8
232.03566	1.8
233.04428	1.4
245.08156	1.7
270.71298	1.2
276.70746	1.1
281.04535	1.5
289.07153	3.0
303.05145	2.3
323.05707	2.0
341.06708	100.0
342.07043	9.1
368.01849	1.3
449.27527	1.8
451.10400	93.5
452.10770	12.7
454.14609	1.4
478.15408	1.2
513.19946	3.7
514.20673	13.8
515.08319	1.7
515.19586	4.7
515.30273	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	514.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24459	1.1
56.41103	1.0
57.03343	6.3
59.01260	20.1
60.01586	1.3
60.15079	1.2
61.98713	16.3
69.03362	1.3
69.26347	1.2
69.26866	6.6
69.27290	5.1
71.01272	9.1
72.99193	1.1
73.02833	4.8
79.95631	1.7
80.96405	14.6
83.01279	2.5
83.04906	2.4
85.02837	3.3
89.02322	4.6
93.03333	1.3
94.97961	4.1
95.01308	1.1
96.95915	6.4
97.02873	1.1
99.00772	1.2
99.04417	6.8
101.02339	7.3
108.02060	1.5
109.02156	1.6
109.02867	20.5
113.02328	3.5
119.03399	2.5
119.04922	3.9
121.02835	1.6
123.04430	14.5
124.04753	1.6
125.02356	7.7
126.02708	1.3
129.01859	1.4
133.02856	3.5
134.97406	1.3
135.02927	1.8
135.04408	3.5
137.02365	4.6
147.04417	4.2
149.02348	1.4
151.00262	1.6
151.03979	6.4
152.01045	1.7
152.98582	1.9
157.31801	1.1
161.02388	6.5
161.04526	3.3
162.03160	1.2
163.03983	3.7
164.98595	2.4
165.01939	1.2
175.03976	1.8
177.01880	25.1
178.99808	1.4
179.03482	2.2
187.03995	1.5
189.01894	49.5
190.02634	11.1
191.03456	12.2
203.03482	5.9
206.99841	1.2
216.00595	6.9
217.01408	38.0
218.02054	3.9
219.03024	14.4
225.00652	5.1
225.55388	1.0
226.01097	1.2
231.02992	13.2
289.07193	3.3
303.05154	1.4
309.22211	1.2
323.01974	2.7
323.05490	2.2
339.23398	1.1
341.06708	95.9
342.06970	8.2
368.01709	3.8
404.27304	1.5
449.26685	3.2
451.10425	100.0
452.10736	13.2
454.14914	1.5
467.28174	1.6
497.29080	1.6
513.20209	9.5
514.20569	27.1
515.08453	3.0
515.19403	7.1
515.30316	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	514.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.0
60.01613	0.2
61.01707	0.2
61.98715	100.0
62.98415	0.2
70.48808	0.3
82.01113	0.1
83.04932	0.2
85.65363	0.1
100.47626	0.1
109.02886	0.3
123.00817	0.2
123.04451	0.1
124.01608	0.2
125.02411	0.6
125.03149	0.1
137.02431	0.2
151.00316	0.2
151.03969	0.2
152.00935	0.2
153.01976	0.1
168.00589	0.5
169.01456	0.1
177.01791	0.1
178.99768	0.2
271.02567	0.1
316.02271	0.2
334.03345	0.2
365.36115	0.1
416.18622	0.1
451.10547	0.2
452.33484	0.4
453.33569	0.7
454.33810	2.0
454.39990	0.2
480.08804	0.3
514.09875	0.4
514.17303	0.1
514.32544	0.5
515.10498	0.2
515.17419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	56.4
66.04234	4.4
69.33002	8.3
69.33408	32.8
71.01272	51.8
73.02814	7.6
85.02839	4.7
87.00757	4.6
89.02331	50.6
93.03348	13.0
98.20599	10.8
101.02348	22.0
112.98725	7.1
113.02345	14.5
119.03393	12.8
129.01857	4.7
142.99774	16.7
158.25684	4.9
161.04433	5.8
173.00848	9.1
173.04520	28.9
179.05609	15.4
198.42557	4.4
213.57648	4.1
306.50937	4.8
341.10913	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	515.1936
Annotation	(2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
57.03336	14.7
59.01263	14.3
61.98709	2.3
64.96916	0.7
69.03342	2.2
70.48130	0.7
71.01282	4.6
71.56849	1.0
73.02835	1.2
75.00745	1.9
81.03354	2.4
82.95305	0.9
83.01266	9.1
83.04897	0.8
85.02845	3.1
87.00757	1.1
89.02343	3.0
93.03350	2.2
95.01286	1.6
95.04930	1.6
95.41388	0.8
96.95914	6.8
97.02857	3.2
97.06483	1.4
99.00797	1.0
99.04404	6.2
101.02335	3.4
107.04922	1.9
108.02047	1.4
109.02866	9.0
109.06489	0.8
113.02367	2.1
119.03436	1.6
119.04954	1.8
121.02878	4.0
121.83658	0.7
122.03640	2.8
123.00819	1.4
123.04446	6.9
125.02367	47.1
125.09653	4.9
131.04939	0.8
133.02901	1.2
134.03601	0.8
135.02917	2.7
135.04433	10.8
137.02368	24.1
138.03169	1.6
139.03937	1.1
145.02882	1.9
146.03709	1.8
147.04457	1.8
149.02354	3.6
149.05994	2.2
150.03154	1.6
151.00238	0.9
151.03925	7.7
159.04474	5.1
161.02350	4.5
161.04643	1.5
161.05998	8.5
162.03177	4.3
163.00320	2.2
163.01692	0.8
163.03940	6.4
164.01105	10.9
164.04729	3.2
165.01884	20.8
166.02525	1.3
167.03452	6.6
167.10690	1.5
172.05302	0.8
173.06013	1.8
174.03188	2.4
175.03976	3.6
175.07568	0.9
176.04735	1.0
177.01819	2.5
177.05531	3.4
179.03450	14.0
179.05043	1.2
179.05666	0.9
181.04982	1.7
185.11812	7.2
187.03923	3.8
187.07542	1.3
188.04736	2.3
189.05525	2.1
191.03496	1.5
199.04042	1.2
200.04854	1.2
201.05518	2.2
202.06311	2.2
203.03427	3.9
203.07132	1.8
204.04276	4.0
205.05006	3.2
209.11888	0.9
212.04845	0.8
213.05562	1.2
213.11356	1.1
214.06322	0.9
215.07144	2.3
217.05035	2.1
225.05525	1.3
227.03519	1.2
229.05098	1.3
239.07141	1.3
241.05119	1.5
242.05879	1.2
243.06680	2.8
245.08189	2.2
257.08371	1.7
258.08902	0.9
267.06744	0.8
270.05231	0.8
271.13559	1.0
281.08081	2.0
285.04016	2.4
285.15161	1.3
287.12866	0.9
289.07263	2.2
289.14474	1.6
299.12943	5.3
301.14560	1.2
303.05237	3.8
313.14548	3.1
315.12411	1.7
317.13992	12.5
318.14078	1.1
325.07162	1.1
329.14038	1.2
331.15561	5.8
335.15091	4.0
341.13937	2.5
347.14804	1.4
349.16751	4.8
359.15036	7.7
371.14990	1.9
377.16141	13.1
378.16553	1.1
385.16858	1.3
389.15982	2.1
411.18109	1.9
413.16141	1.5
425.19659	1.0
435.18243	1.0
453.19260	3.5
471.20490	6.0
472.20087	1.1
479.16818	2.5
497.18317	15.9
498.18524	2.5
515.19312	100.0
515.30652	3.4
516.19598	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	515.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64103	0.5
55.01760	0.7
56.80481	0.5
57.03338	3.6
59.01262	100.0
60.01601	1.4
61.98713	9.1
61.99010	0.9
67.62895	0.5
69.03354	0.9
69.27357	3.8
69.27781	2.3
71.01269	13.9
72.99207	1.1
73.02838	4.0
75.00775	1.0
83.01278	4.1
84.02038	0.7
85.02834	5.7
87.00778	1.7
89.02322	5.4
93.03350	1.2
95.01286	0.8
96.95929	1.8
97.02845	2.5
99.00793	2.3
99.04454	0.9
101.02344	11.0
109.02854	4.9
111.00811	1.1
113.02341	5.4
119.03439	2.4
119.04946	0.7
121.02897	1.8
122.03671	0.8
123.00748	0.7
123.04456	2.7
125.02370	12.8
131.03456	1.3
135.02975	1.2
135.04442	1.5
137.02353	11.3
138.03157	4.5
139.00346	0.8
139.03906	0.8
141.01851	1.8
143.03447	1.2
145.02899	0.9
146.03703	0.7
149.02397	2.7
149.04509	1.2
149.05721	0.6
151.03975	2.4
152.99477	0.8
153.01851	1.0
159.02855	0.9
159.04472	0.7
161.02386	1.8
161.04512	9.0
161.05899	1.0
162.03232	0.9
163.00363	0.9
163.03986	1.0
164.01103	1.7
165.01881	9.8
166.02693	5.6
167.03441	1.2
170.02184	0.9
175.03955	2.0
177.01860	4.5
178.02539	0.7
179.03503	2.3
179.05579	0.9
187.03928	0.8
188.04688	0.8
189.05476	0.8
190.02718	0.6
191.03522	0.7
199.03917	0.9
202.79657	0.6
203.07193	2.0
205.05038	1.7
209.11885	1.2
213.05484	1.0
217.05046	0.9
241.05135	1.4
245.04362	0.8
245.08183	2.9
257.04669	1.4
259.06213	1.4
261.03928	0.7
274.11703	0.7
285.04242	2.0
289.07242	14.1
289.10333	0.9
290.07578	1.4
303.05118	10.2
304.05908	3.6
325.20462	1.2
335.15076	1.1
361.17255	0.6
371.20499	0.7
388.96942	0.6
453.26184	0.8
455.26587	22.0
456.26868	2.9
467.27982	1.1
471.21078	1.0
471.31534	2.3
479.17334	0.7
497.18408	3.7
498.18445	0.7
515.19525	8.8
515.30157	12.3
516.19586	1.6
516.30737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
59.01272	1.2
61.53581	0.1
61.73106	0.2
64.74880	0.2
69.26969	1.8
71.01257	0.3
71.04882	0.2
76.55526	0.2
83.04921	5.7
83.59148	0.2
88.31670	0.2
89.65665	0.2
97.02864	0.2
97.06512	0.3
102.93484	0.2
103.42863	0.2
107.99155	0.2
109.02829	0.4
109.06534	0.2
120.05772	0.2
121.06461	0.2
123.08054	0.5
125.02367	0.6
126.91971	0.2
135.04445	0.3
135.08075	0.3
136.39142	0.2
137.02388	0.5
146.64470	0.1
153.09065	0.2
154.79301	0.1
159.15173	0.2
161.02371	0.2
161.38145	0.2
165.01869	0.3
175.11264	0.7
179.03384	0.2
187.11237	0.4
205.12300	0.8
221.13333	0.5
231.02846	0.2
245.08258	0.2
289.07260	0.6
303.05267	0.3
307.20673	0.2
309.22299	5.2
310.22723	0.6
311.23911	0.6
318.63843	0.2
323.02219	0.2
327.23331	0.2
339.23349	1.9
340.23651	0.3
372.24692	0.2
373.25409	0.3
375.27039	3.0
376.27316	0.6
377.28613	0.5
387.27036	2.3
389.25067	0.9
390.25220	0.2
393.27939	0.4
395.26093	0.4
403.26413	0.5
404.27283	8.2
405.28033	7.2
406.28464	0.7
407.25946	0.8
413.26935	0.5
419.26059	0.5
420.26712	0.2
423.28973	1.5
432.23212	0.2
434.92941	0.2
437.27142	1.2
438.27585	0.2
441.29953	0.2
443.28052	0.7
444.28928	0.2
449.27060	15.9
450.27414	2.1
455.28421	0.2
467.28122	4.9
468.28482	0.7
470.54327	0.2
471.31436	0.4
472.31702	0.2
485.29263	1.9
486.29770	0.2
497.29205	7.0
498.29614	1.3
515.30237	100.0
516.30573	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	515.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71786	0.2
51.69207	0.2
51.92194	0.2
55.01751	0.4
57.03338	2.7
58.03652	0.2
59.01263	14.3
61.98703	0.8
69.03322	0.5
69.62598	0.9
69.63029	0.8
71.01263	2.1
71.04900	0.8
73.02833	0.7
75.00762	0.2
83.01263	0.4
83.04910	5.6
85.02837	0.7
89.02323	1.1
93.03350	0.3
96.95890	0.5
97.02826	0.3
97.06529	0.3
99.04420	2.7
101.02348	2.3
109.02849	0.5
109.06507	0.3
113.02332	0.8
119.03322	0.5
121.02911	0.3
125.02366	2.3
135.04454	0.3
137.02336	1.1
139.00325	0.3
151.00294	0.4
151.03926	0.4
153.01892	0.2
161.02353	0.3
161.04482	0.4
165.01869	0.4
175.11298	0.3
179.03586	0.3
179.05553	0.4
205.12241	0.3
221.08133	1.1
221.10135	0.3
289.07312	0.7
291.65173	0.2
303.05222	1.0
304.06018	0.3
309.22302	2.3
311.23834	0.7
339.23361	4.4
340.23535	0.6
371.20721	0.5
372.21274	0.3
373.25235	0.3
375.26950	2.1
377.28687	1.4
378.28641	0.3
387.27051	0.7
403.26437	1.1
405.28058	6.8
406.23181	0.2
406.28391	1.1
407.26212	0.6
413.21771	0.2
413.27078	0.4
419.26035	0.3
421.27618	0.4
423.29041	0.8
437.26883	0.8
443.28073	1.0
449.27042	11.6
450.27267	1.5
453.30978	0.4
454.65533	0.3
455.27948	0.3
467.28287	1.0
469.29581	1.2
469.82767	0.2
471.31290	1.1
497.29181	13.6
498.29443	2.1
503.30692	0.4
515.30231	100.0
516.30573	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	515.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12789	0.2
55.01759	0.6
57.03083	0.3
57.03341	2.4
59.01264	16.8
61.98710	1.4
69.03329	0.5
71.01271	2.4
71.04897	1.2
71.56592	0.2
72.99191	0.2
73.02831	1.0
83.01276	0.5
83.04913	5.7
85.02843	0.9
86.38742	0.2
87.00738	0.2
89.02338	1.4
93.03345	0.5
94.57221	0.2
95.01321	0.2
96.95911	0.8
97.02887	0.3
99.00761	0.3
99.04412	3.4
101.02335	1.9
109.02883	0.4
109.06520	0.3
113.02368	0.6
116.47453	0.2
119.03404	0.5
119.04919	0.3
121.02843	0.4
121.06560	0.3
123.04401	0.3
123.08057	0.3
124.01555	0.2
125.02375	2.3
130.73601	0.2
135.02925	0.4
135.04440	0.5
137.02376	1.6
139.00272	0.2
141.01828	0.4
151.03987	0.2
153.01912	0.3
153.09213	0.2
161.02376	0.3
161.04480	0.4
163.03848	0.3
165.01874	0.6
175.11191	0.4
177.01921	0.3
178.99847	0.3
179.03430	0.4
179.05577	0.5
187.04015	0.3
193.05048	0.2
205.12378	0.3
217.04796	0.3
221.08188	1.2
221.13435	0.3
285.04187	0.3
289.07285	0.8
303.05090	1.3
304.06100	0.2
309.22256	2.7
311.23840	0.8
322.19586	0.3
324.07394	0.2
339.23398	4.8
340.23785	0.7
359.23804	0.2
361.25418	0.4
371.20908	0.7
373.25589	0.5
375.27103	1.9
377.28622	1.4
387.27045	1.0
388.24097	0.3
389.24542	0.2
403.26288	1.2
405.28104	7.2
406.28406	0.9
407.25885	0.4
413.27014	0.5
419.25900	0.3
421.27448	0.8
423.29333	1.0
437.26791	0.4
443.28275	0.8
449.27042	11.6
450.27454	1.5
455.27725	0.5
467.28107	1.4
468.28198	0.3
469.29684	1.7
470.30270	0.4
471.22495	0.2
471.25528	0.2
471.31247	1.6
485.29410	0.3
497.29181	13.9
498.29556	2.1
503.29654	0.3
515.30243	100.0
516.30573	16.0
539.21881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3025
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.01767	0.4
57.03321	1.3
57.63393	0.3
59.01265	6.2
61.57844	0.3
61.98717	2.1
65.00210	0.6
69.27326	3.9
71.01272	2.2
71.04903	1.1
72.02032	0.4
73.02831	1.0
74.83511	0.3
76.17516	0.3
80.22810	0.3
83.01255	1.8
83.04916	4.2
85.02850	1.1
87.00794	0.4
89.02329	1.3
97.02825	0.9
97.06498	0.4
98.19852	0.7
99.04379	0.6
100.88599	0.3
101.02348	1.0
107.01289	1.1
109.02842	0.8
109.06503	0.7
111.00783	0.8
113.02379	0.8
121.02867	0.6
123.04462	0.4
124.01567	0.4
125.02370	5.0
133.02849	0.7
137.02361	4.9
138.03148	0.6
151.00323	2.8
152.01135	0.5
153.01830	0.4
161.02373	0.5
161.04498	0.5
163.03914	0.4
164.01091	0.5
165.01912	3.3
166.02621	1.0
166.23586	0.3
166.37570	0.3
167.03406	1.7
169.01347	0.6
173.00961	0.4
177.01820	0.5
178.08537	0.3
178.99835	2.4
179.03464	0.4
193.01402	0.4
199.04007	0.9
205.01274	2.0
229.49101	0.4
243.03050	0.6
255.03093	0.7
269.04486	0.4
271.02563	3.1
285.04184	0.5
286.04803	0.4
299.02032	8.9
299.05368	0.6
300.02521	1.6
303.05042	1.6
304.05820	0.6
309.22418	1.6
311.23792	0.3
339.23245	3.5
347.15604	0.3
349.25497	0.4
355.92584	0.4
368.09189	0.5
370.10394	0.6
375.27005	1.4
377.28546	1.5
387.27014	0.8
403.26550	0.6
404.27216	0.6
405.28101	5.9
406.28391	0.7
409.27710	0.5
413.26740	0.6
421.27731	0.7
423.29193	2.2
424.13303	0.6
424.29276	0.4
424.63940	0.6
437.27365	0.4
442.14575	2.6
442.64621	0.8
443.28122	0.5
446.08536	2.9
447.08786	0.5
449.27109	8.5
450.27338	1.4
453.30655	0.4
455.28146	0.9
467.28165	1.1
469.29855	2.0
471.31506	2.1
472.31522	0.5
485.29077	0.5
497.29211	11.6
498.29630	1.8
515.30267	100.0
516.30585	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
52.94642	0.4
57.03347	0.4
59.01266	4.1
60.99205	0.8
61.98746	0.8
66.78001	0.3
68.88375	0.3
69.25476	1.0
69.25886	3.0
71.01292	0.8
71.04896	0.4
73.02869	0.7
73.12576	0.3
78.95808	0.4
79.97868	0.3
84.73217	0.4
89.02362	0.6
90.40144	0.3
96.64069	0.4
96.95944	0.4
101.02400	0.6
109.02905	0.5
111.00798	0.5
113.11421	0.3
123.14455	0.4
136.31381	0.3
137.02411	0.7
151.00333	0.5
151.11276	0.4
161.04544	0.4
182.33888	0.3
183.90730	0.4
212.17982	0.3
291.19815	0.5
309.20721	0.5
309.25986	3.9
323.23782	0.4
335.24026	0.5
353.24899	0.9
368.09198	0.7
369.09750	0.7
370.21075	0.4
377.28726	0.9
379.30396	0.4
409.31174	11.1
410.31595	1.3
411.28854	0.4
423.29163	0.4
425.30679	1.3
427.32275	2.4
441.30005	0.8
453.12158	0.8
453.30438	2.0
455.27930	0.5
467.28040	0.4
469.29852	0.5
471.31250	57.3
472.31564	9.4
497.11221	1.3
497.29010	1.0
515.30225	100.0
516.30554	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3024
Annotation	Probucol
Peak:m/z	Relative Intensity
55.01754	0.4
55.95161	0.3
56.59428	0.2
59.01266	2.3
59.39269	0.3
61.98708	0.4
64.81477	0.3
69.03281	0.3
70.84175	0.2
70.88047	0.5
70.88422	0.6
71.01260	0.6
71.04903	0.4
83.04915	4.7
89.02387	0.4
97.06507	0.3
101.02314	0.5
103.41959	0.3
109.06553	0.3
121.06509	0.4
125.02364	0.9
137.02348	1.7
137.58679	0.3
138.03151	0.8
138.50548	0.3
165.01865	0.9
166.02631	0.9
175.11209	0.9
177.01805	0.3
205.12263	0.7
221.13388	0.4
285.04257	0.5
303.05206	2.4
309.22263	4.4
311.23883	0.7
333.22522	0.3
339.23309	2.2
375.26965	2.5
376.27036	0.4
377.28699	0.6
387.27121	2.2
388.27521	0.4
389.24719	0.7
393.28302	0.3
395.25989	0.6
403.26523	0.7
404.27249	7.6
405.28021	7.8
406.28494	0.8
407.26086	0.8
413.26764	0.7
419.25815	0.3
423.29428	1.4
437.27005	1.3
443.28119	0.6
449.27026	15.2
450.27319	2.2
467.28113	4.6
468.28323	0.8
471.31436	1.4
485.29102	2.1
497.29187	6.1
498.29626	0.7
503.30032	0.4
515.30212	100.0
516.30609	14.1
516.38367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54039	0.5
57.03316	1.7
59.01275	2.4
69.03321	1.8
69.93242	1.0
69.93648	1.9
70.35365	0.6
71.04916	0.6
83.04918	0.6
95.04903	0.5
97.06482	0.7
109.06496	0.6
111.08053	1.3
113.57289	0.5
125.09621	1.1
127.07551	0.6
127.11175	0.6
141.09167	0.5
149.09721	0.9
151.11218	2.0
153.12755	2.6
155.10634	1.0
165.12737	1.2
167.10724	2.9
169.12321	0.6
179.10744	1.3
179.14352	3.7
181.12267	2.1
193.15950	0.6
195.13834	4.2
196.14246	0.6
197.11768	1.6
198.97618	0.5
199.13475	0.6
205.12354	4.1
207.13846	0.9
215.12885	1.0
223.13393	32.1
224.13762	2.0
226.11919	0.5
228.13676	1.3
247.20657	3.7
265.21619	0.6
273.18594	1.6
275.16541	0.5
281.21295	0.6
291.19720	33.5
292.20044	2.1
309.20761	100.0
310.21097	7.7
329.36301	0.5
335.22156	0.9
338.35263	0.5
387.25803	0.5
405.26718	1.3
455.35800	0.7
497.32733	8.8
498.33115	1.4
499.62729	0.6
515.34210	3.6
516.34045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80729	0.8
53.42299	0.7
57.03335	1.9
59.01265	5.5
69.03352	4.8
69.03649	0.7
71.04907	1.7
71.58085	1.2
83.04935	1.0
95.04935	1.2
97.06508	1.9
107.73543	0.8
111.08080	1.7
113.09663	0.9
125.09616	1.7
132.16559	0.8
141.09120	1.3
149.09654	2.4
151.11212	1.0
163.11304	1.2
165.12808	6.0
167.10727	6.6
167.14415	1.0
177.12802	1.2
179.10728	2.3
179.14371	6.0
181.12291	1.8
183.13969	0.8
195.13908	16.2
205.12314	12.9
211.13414	1.7
223.13397	100.0
224.13754	6.1
244.37782	0.9
247.20668	8.8
248.21028	1.3
263.20270	1.3
273.18741	2.9
277.21844	1.4
291.19733	90.7
292.20068	6.8
309.20776	92.3
310.21115	6.7
362.47638	0.8
389.27161	4.4
419.28296	1.3
455.35492	6.5
479.31473	1.5
497.32907	19.1
498.32947	2.3
515.33893	6.5
516.34045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
57.03331	1.7
58.00487	2.9
59.01264	100.0
59.27983	0.6
60.01604	1.0
61.98713	1.0
62.33416	0.6
69.03342	3.8
69.64878	1.4
69.65281	3.8
71.01270	69.1
72.01605	0.9
72.99194	3.4
73.02834	6.1
74.02378	1.4
75.00780	1.8
81.03354	3.0
82.95313	2.2
83.01266	3.1
83.02404	5.1
84.01950	0.7
85.02838	10.0
87.00784	1.9
89.02338	72.1
90.02702	0.8
93.85593	0.5
95.01312	1.4
97.02853	6.3
98.19890	0.9
99.00779	2.9
99.05541	1.1
101.02350	18.1
101.03014	1.1
102.91229	0.7
111.04422	0.7
113.02361	12.4
119.03440	4.2
119.04963	1.0
121.02955	0.6
121.06459	0.7
123.04427	0.7
125.02363	34.5
126.02737	0.9
128.03476	2.0
131.03429	16.2
135.02937	0.8
135.04488	1.7
137.02417	1.8
139.03983	1.0
143.03462	4.0
143.04596	3.2
147.04453	0.6
148.05237	31.3
149.03313	1.3
149.04498	22.0
149.05449	1.1
150.04843	0.9
151.00313	1.8
160.00772	0.6
161.04495	4.6
163.07578	10.2
163.08740	0.7
164.01122	0.8
165.01880	1.5
179.03471	1.5
179.10732	4.6
185.06070	0.7
185.07796	0.6
191.05611	1.8
191.07169	1.4
209.03041	0.7
223.09727	4.1
231.04163	1.2
233.06702	2.9
254.07959	0.9
271.02740	1.9
272.09097	0.9
287.02188	0.9
288.06870	0.7
293.08841	35.8
294.09351	2.2
299.02179	1.8
300.02921	1.2
301.03723	1.0
306.07755	6.9
315.01630	1.4
463.09091	1.4
469.29736	3.9
487.31097	0.7
517.13043	1.1
517.20654	2.4
517.32166	19.7
518.21613	0.9
518.32623	2.9
539.53235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09605	0.4
55.01767	0.7
57.03334	13.5
59.01263	100.0
60.01608	0.6
61.98721	1.3
69.03332	0.5
70.30265	0.4
70.77232	1.3
71.01267	11.2
71.52340	0.4
72.84262	0.3
72.99188	0.9
73.02834	12.0
75.00778	0.8
80.91563	0.4
81.03351	0.8
83.01271	4.3
83.04901	3.4
85.02837	3.8
87.00776	0.7
89.02334	3.8
95.01302	0.9
95.04901	0.7
96.95921	0.9
97.02850	0.8
97.06496	5.5
98.41136	0.4
99.00800	0.6
99.04414	12.7
101.02344	18.9
102.02693	0.5
109.02869	1.4
111.00805	0.6
113.02348	6.0
119.03384	2.6
119.04877	0.5
121.02872	0.8
123.04430	0.8
124.41324	0.4
125.02364	9.0
131.03455	1.7
133.02957	0.4
135.02933	0.4
135.04460	1.2
137.02370	2.2
143.03444	2.2
146.03728	0.9
149.02409	0.5
149.04453	2.7
151.03958	0.8
153.13556	0.4
161.02428	0.6
161.04501	7.0
163.03996	0.7
165.01904	1.5
177.01869	0.8
179.03456	1.6
205.05040	0.5
212.34900	0.4
221.06708	1.5
221.13586	0.4
271.13370	1.1
272.08765	0.6
289.07266	1.8
295.06165	0.6
305.19382	0.4
327.23376	0.5
371.27612	1.4
373.22040	2.6
375.26520	0.8
389.28458	1.6
403.26276	0.4
405.28290	0.6
407.07819	0.7
407.29562	2.3
408.30188	0.7
415.23431	1.1
419.24780	0.6
421.27859	0.5
425.30972	0.7
445.29642	0.7
455.32114	2.8
469.29694	1.5
471.31369	1.6
473.33401	2.3
481.18243	0.6
499.19901	1.3
499.30832	10.0
500.31396	1.0
517.20978	2.6
517.31885	89.0
518.20508	0.7
518.32190	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	517.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
69.46001	0.2
71.04915	1.3
71.44942	0.5
86.35161	0.2
91.16037	0.2
96.49889	0.2
101.02260	0.2
113.30566	0.2
121.06521	0.3
122.03635	0.3
125.02347	0.2
135.08119	0.2
137.02333	0.6
150.32790	0.3
155.49315	0.2
165.01904	1.2
175.11258	0.4
188.20644	0.2
287.05585	0.3
288.06393	0.4
323.23724	0.5
353.24896	0.3
375.27139	0.3
377.28656	1.8
378.29144	0.3
379.30099	0.3
389.28598	0.8
391.26688	0.5
395.29584	0.8
405.28021	0.3
406.28903	0.4
407.29605	3.6
408.30096	0.5
409.27603	1.4
421.27356	0.6
425.30618	1.1
426.31326	0.3
438.27670	0.4
451.28619	15.3
452.28976	2.5
455.31821	0.3
457.29739	0.4
469.29657	22.0
470.29935	3.3
487.30679	3.7
499.19498	0.6
499.30725	4.2
500.30853	0.5
517.31775	100.0
518.32111	16.6
518.40265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75099	0.3
59.01256	0.5
60.65960	0.3
60.99157	0.4
70.58563	0.7
70.58962	0.6
71.01266	0.5
71.04901	0.8
79.43896	0.3
105.21091	0.3
137.02315	0.5
139.10123	0.3
150.14627	0.3
165.01909	0.6
370.82428	0.3
377.28635	1.9
379.30301	0.5
389.28726	0.6
391.30399	0.5
407.29614	1.3
409.31735	0.4
419.29739	0.7
421.27637	0.4
425.30652	1.7
437.30930	0.6
439.28690	2.7
440.29102	0.8
451.28662	5.0
452.29086	0.5
455.31747	3.3
456.32129	0.8
457.29300	0.4
469.29642	2.6
470.30026	0.5
473.32849	1.0
481.29700	1.2
487.30765	0.8
499.19733	0.5
499.30798	9.1
500.30936	1.1
517.31793	100.0
518.32141	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	517.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74460	0.2
58.73830	0.1
59.01250	0.6
71.01247	0.2
71.04912	1.2
98.19859	0.5
110.55481	0.2
120.05615	0.2
121.06473	0.2
123.08092	0.2
138.31287	0.2
152.09163	0.2
175.11234	0.5
205.12321	0.3
224.79356	0.2
323.23917	0.5
353.24991	0.3
375.26852	0.6
377.28482	2.3
378.29199	0.2
379.30142	0.3
389.28690	0.8
391.26352	0.3
395.29529	0.6
405.28030	0.2
406.28824	0.6
407.29608	3.4
408.29990	0.5
409.27664	1.4
421.27396	0.5
425.30786	1.1
451.28601	14.4
452.29031	1.8
455.85361	0.2
457.29752	0.4
469.29651	20.5
470.30057	2.5
487.30774	2.7
488.31259	0.3
499.30750	4.1
500.30872	0.5
517.31769	100.0
518.32123	14.9
518.40204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01263	3.3
61.98703	0.4
69.03342	0.2
69.35815	0.3
69.36225	1.1
71.01273	1.1
71.04903	1.0
72.99185	0.3
73.02836	1.1
83.01273	0.2
83.04909	0.4
85.02827	0.3
87.04348	0.1
89.02301	0.3
93.46138	0.1
97.02841	0.3
98.03636	0.3
98.19808	0.3
101.02345	0.3
107.01287	0.1
107.04919	0.1
109.02866	0.2
109.06493	0.2
113.02330	0.2
121.02878	0.1
121.06603	0.1
123.10207	0.1
124.01517	0.1
125.02354	1.8
137.02386	0.5
147.08131	0.1
151.00313	0.4
152.01080	0.1
161.04489	0.2
165.01805	0.2
178.99808	0.4
179.03438	0.2
225.05542	0.2
241.05023	0.2
255.03050	0.2
269.04636	1.1
270.05032	0.2
293.04694	0.2
297.04077	2.2
297.07355	0.2
298.04691	0.4
311.05624	0.3
326.08005	1.0
327.08646	0.7
337.25296	0.1
347.23755	0.2
347.27658	0.2
352.05756	0.2
353.06616	0.3
353.24756	0.2
361.25269	0.3
361.29236	0.2
363.27121	0.3
370.06683	0.2
371.07724	0.3
373.25110	0.3
377.28577	1.3
378.28903	0.2
379.30347	1.2
380.30148	0.2
381.27869	0.3
389.28946	1.0
390.29004	0.1
391.25842	0.3
391.30206	0.9
393.28085	0.4
395.29800	0.4
397.31158	0.5
401.28674	0.3
403.26126	0.1
405.28131	0.7
407.29642	5.1
408.30078	0.7
409.26865	0.3
409.31317	0.5
417.28116	0.2
419.29758	1.3
420.30240	0.2
421.27838	0.6
422.27902	0.2
423.29172	0.7
425.30704	3.2
426.31213	0.4
437.30902	1.1
439.28644	0.4
449.20184	0.1
451.28622	6.1
452.29120	0.8
455.31824	0.5
457.29803	0.5
465.26154	0.3
469.29666	3.7
470.30185	0.5
471.31085	0.6
473.14456	0.9
481.19168	0.3
481.29663	1.0
487.30508	0.8
499.12506	1.0
499.19290	0.5
499.30765	9.5
500.13083	0.2
500.31073	1.6
501.48401	0.2
517.14496	2.0
517.31787	100.0
518.32123	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	517.3181
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
53.81239	0.3
57.03324	0.5
58.85189	0.3
59.01260	6.0
61.98706	1.0
69.70055	2.2
71.01268	1.5
71.04880	0.4
73.02838	1.0
75.00745	0.8
83.01273	0.5
83.04915	2.9
85.02833	0.4
87.00778	0.5
89.02338	0.6
97.92048	0.3
101.02350	0.7
113.02344	0.5
121.02848	1.1
122.03641	1.2
124.01575	0.3
125.02370	1.8
135.02969	0.3
135.04347	0.4
137.02379	4.6
137.05959	0.3
150.03177	0.9
152.34424	0.3
159.04485	0.4
161.02444	0.4
164.01079	0.9
165.01897	7.2
166.02367	0.5
175.03984	0.4
178.02545	0.4
179.03375	0.5
201.05566	0.7
221.13275	0.4
226.61490	0.4
259.06210	0.3
287.05685	2.0
288.06363	2.4
325.37613	0.4
341.24991	0.6
371.27478	0.6
373.25491	0.3
377.28409	0.4
389.28616	1.6
405.28204	0.4
407.29620	2.3
409.27472	0.4
411.14691	0.4
421.27347	0.4
433.27521	0.4
439.28403	0.6
445.29880	0.7
455.31775	2.3
469.29358	2.9
470.29419	0.4
473.32764	3.5
474.33374	0.4
485.32684	1.0
487.30695	1.3
499.19846	6.3
499.30807	9.1
500.20163	0.9
500.31198	1.2
517.31793	100.0
518.32111	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	517.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79931	0.2
53.91709	0.2
55.01760	0.4
57.03328	0.3
59.01262	3.1
61.98704	0.3
62.11869	0.2
62.77977	0.2
64.28912	0.2
69.03348	0.2
69.57166	1.4
71.01237	0.4
71.04900	0.2
73.02833	0.3
79.96999	0.2
82.52301	0.2
83.04913	5.8
85.02870	0.4
89.02350	0.2
95.04994	0.2
96.95926	0.3
97.06479	0.4
99.04395	0.2
101.02306	0.2
113.02377	0.2
119.08613	0.3
125.02320	0.4
133.06357	0.2
135.08086	0.4
136.98303	0.2
137.02332	0.4
154.80585	0.2
185.13280	0.3
189.12779	0.3
221.13347	0.5
223.14929	0.2
311.23792	0.3
323.23950	0.6
339.23618	0.2
341.25177	1.3
361.25293	0.3
369.25873	0.2
371.23441	0.3
371.27695	1.4
372.27774	0.3
373.25626	0.6
377.28607	0.5
385.25198	0.3
389.28668	2.0
390.28821	0.3
391.26483	0.2
403.26477	0.8
405.28250	0.5
407.29599	2.7
408.29745	0.3
409.27542	0.2
421.27359	0.9
422.28168	0.3
423.29196	0.2
425.30508	0.5
433.27371	0.5
445.29623	1.3
451.28406	0.8
455.32263	0.5
457.29425	0.2
473.32806	1.1
487.30469	0.5
499.30753	14.5
500.30893	2.1
505.31937	0.3
517.31769	100.0
518.32123	15.7
518.40295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.6
61.98704	0.5
67.70390	0.2
69.30807	2.9
71.70355	0.3
75.00765	0.5
77.65113	0.3
120.76624	0.3
135.02902	1.1
189.71230	0.3
198.42073	0.2
239.76083	0.3
262.64395	0.3
389.28644	0.4
399.32956	0.5
409.27548	3.5
410.27795	0.4
411.32840	3.9
412.33041	0.7
423.29169	12.1
424.29663	1.4
425.30728	8.5
426.31158	1.3
429.33762	0.7
437.30786	0.8
439.28580	1.0
443.31741	8.5
444.31921	1.0
453.30136	0.5
455.31760	26.1
456.32086	3.2
457.29575	1.7
469.29865	1.1
471.31485	1.3
472.31870	0.3
473.32822	1.1
474.32437	0.3
487.30777	15.6
488.31079	2.3
499.30270	0.4
517.31805	100.0
518.32184	14.2
518.40247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01263	5.5
61.98718	2.8
69.03342	0.3
70.88876	0.2
71.01270	1.0
71.04910	7.7
73.02821	1.1
81.03352	0.2
81.97845	0.2
83.01267	0.4
83.04884	0.5
85.02834	0.2
89.02329	0.5
97.06477	1.1
98.19757	0.3
101.02333	0.9
109.06511	0.2
111.09602	0.2
111.64615	0.2
113.02338	0.3
119.08588	0.2
123.04430	0.2
123.08096	0.2
125.02367	2.5
135.04411	0.4
137.02370	0.8
161.04478	0.2
165.01888	0.3
165.33249	0.2
179.03447	0.4
183.11821	0.3
255.96834	0.2
271.13373	0.3
278.92862	0.2
303.05304	0.2
307.20767	0.3
321.22241	0.4
323.23856	1.6
325.14316	0.2
335.23889	1.1
351.23312	0.3
353.24942	10.5
354.25171	1.3
355.24097	0.4
361.25635	0.2
369.22028	0.2
371.27585	0.4
373.23889	2.4
374.24130	0.3
377.28534	1.1
379.25998	0.4
379.30362	0.5
387.27075	0.5
389.28513	0.7
390.25598	0.3
391.26324	0.6
395.29623	0.3
403.25366	2.0
405.28110	1.1
407.29663	3.6
408.30032	0.5
409.27441	0.8
421.27725	0.4
423.29224	0.7
425.30679	2.1
426.30942	0.2
427.28729	0.8
437.19833	0.4
437.30765	2.5
438.31461	0.2
439.28516	1.0
443.32068	0.4
451.28619	6.3
452.29099	0.9
453.30209	3.6
454.30710	0.3
455.31842	2.0
457.29694	0.8
469.29678	6.6
470.30136	0.7
471.31171	1.3
473.32996	1.0
481.19241	0.3
487.30649	1.5
497.29291	0.2
499.20135	1.3
499.30823	5.8
500.31076	0.7
517.31805	100.0
518.32141	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01265	5.2
61.98697	0.7
68.73334	0.2
69.76635	1.6
70.47618	0.2
70.69337	0.2
71.01286	0.2
71.04908	1.2
72.92687	0.2
75.00759	1.0
87.04410	0.3
89.02309	0.3
98.20421	0.3
113.09600	0.5
120.87647	0.2
135.02895	1.9
167.10800	0.3
175.11180	0.3
189.12776	0.6
190.26302	0.2
283.13394	0.5
293.21323	3.7
316.53241	0.2
373.29160	0.3
375.26871	0.3
377.28580	1.7
377.32813	0.2
379.26468	0.9
389.29016	0.4
395.29562	1.0
407.29553	0.4
411.32022	0.3
421.27600	2.1
429.33740	0.7
439.28583	9.1
440.29236	1.3
451.28687	0.3
455.31763	18.9
456.32108	2.6
469.29535	1.3
473.32791	7.2
474.32962	1.3
485.32831	2.9
499.30719	4.7
500.31250	0.9
517.31787	100.0
518.32220	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	517.3182
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
59.01264	51.4
60.99189	1.3
61.98704	3.2
78.68755	0.6
78.95795	12.1
96.52693	0.6
96.96890	1.0
98.19784	1.8
130.77577	0.7
150.97914	0.8
152.99521	18.1
235.16768	0.8
250.04347	0.6
277.21509	0.8
321.42786	0.7
376.22839	0.7
377.28561	4.7
393.31769	6.8
394.31949	1.1
411.32733	2.7
425.30612	1.1
429.33823	1.9
429.95050	0.6
431.22122	8.8
437.30670	2.2
439.28513	1.0
455.31683	3.3
468.83554	0.7
471.79553	0.6
473.32959	2.0
499.30682	1.4
517.31818	100.0
518.25458	1.1
518.32196	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	517.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01616	1.0
61.98716	0.6
65.62716	0.3
65.63061	0.3
69.39144	0.3
69.53938	2.6
69.54353	0.7
73.02845	0.8
98.19859	0.8
104.17106	0.4
121.02888	0.6
196.70384	0.4
235.09164	0.4
246.02843	0.4
251.95251	0.4
406.21344	0.4
437.30948	0.4
455.31885	1.7
457.29776	0.5
469.29700	1.1
473.32935	1.1
483.31479	0.6
485.32846	9.5
486.33295	1.2
499.30807	4.2
500.31595	0.7
517.31610	10.5
518.32483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01616	1.0
61.98716	0.6
65.62716	0.3
65.63061	0.3
69.39144	0.3
69.53938	2.6
69.54353	0.7
73.02845	0.8
98.19859	0.8
104.17106	0.4
121.02888	0.6
196.70384	0.4
235.09164	0.4
246.02843	0.4
251.95251	0.4
406.21344	0.4
437.30948	0.4
455.31885	1.7
457.29776	0.5
469.29700	1.1
473.32935	1.1
483.31479	0.6
485.32846	9.5
486.33295	1.2
499.30807	4.2
500.31595	0.7
517.31610	10.5
518.32483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39269	0.5
56.59106	0.5
59.01265	100.0
60.01585	0.7
61.98732	1.2
67.71088	0.6
71.57844	1.0
78.95798	0.9
79.95660	0.5
88.75851	0.5
93.09955	0.7
96.95953	0.9
152.99564	1.3
162.98958	0.6
166.44371	0.6
167.20166	0.6
225.11401	0.8
309.21039	1.0
378.22009	0.6
395.83829	0.6
457.33636	1.8
496.54919	0.6
517.26117	10.8
518.26862	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08683	0.3
59.01264	100.0
60.01606	1.0
61.28218	0.3
61.98726	3.0
78.95792	29.7
85.20558	0.3
96.96858	2.7
112.24728	0.4
122.67715	0.4
135.69531	0.3
136.69206	0.4
150.97983	1.0
152.99522	47.2
171.00586	0.8
201.11282	0.8
277.21899	1.0
300.26495	0.4
303.20767	0.5
315.19785	1.2
356.57971	0.4
375.15143	0.8
409.22375	0.4
431.22119	22.9
457.33237	0.6
517.25574	0.6
517.31750	3.7
518.25470	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47041	0.2
57.53818	0.2
59.01263	1.1
60.72362	0.2
60.99173	0.2
61.98698	0.4
68.54088	0.2
70.73843	0.4
70.74209	0.4
71.01247	0.3
71.04935	0.2
73.02837	1.0
75.00764	0.8
83.04938	0.2
87.00734	0.2
111.08058	0.3
119.08577	0.7
123.08022	0.3
135.02904	1.6
189.12778	0.3
223.15099	0.4
227.03522	0.4
283.13510	0.6
298.67133	0.2
307.24326	0.2
353.14096	0.2
357.25922	1.9
358.26318	0.2
373.29074	8.1
374.29645	1.2
375.27155	0.7
377.28659	0.2
387.26968	0.2
389.28763	0.5
391.30219	3.2
392.30786	0.2
405.28091	0.4
407.29651	0.7
419.29642	0.8
421.27222	0.4
437.30756	2.3
438.31070	0.4
438.36835	0.2
439.27933	0.3
455.32303	2.7
456.32092	0.4
469.29904	0.6
473.33176	0.4
485.32819	100.0
486.33170	16.1
499.30945	0.4
517.32129	10.6
518.30927	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	517.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01605	1.0
61.98705	0.3
62.08561	0.2
69.80625	1.6
78.95795	29.5
92.61370	0.3
96.96865	4.4
106.25243	0.3
150.97952	1.0
152.49117	0.3
152.99525	76.9
171.00592	2.6
277.21701	0.7
431.22131	21.5
485.32336	0.3
516.23608	0.3
517.31195	0.3
518.25354	5.3
522.59406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91101	0.5
59.01265	100.0
60.01603	0.9
78.95758	0.5
121.16828	0.5
130.45294	0.5
156.77780	0.6
225.11484	0.6
279.23474	1.3
280.23676	1.0
281.24149	1.7
419.81998	0.5
485.44922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	24.7
60.01586	1.6
61.98715	7.8
64.20866	0.4
69.51699	3.2
78.95794	62.8
79.35162	0.4
79.95659	0.4
96.96866	5.5
97.20097	0.4
106.99672	0.4
150.97940	1.6
152.99524	100.0
153.99867	1.6
165.21452	0.4
171.00603	2.5
204.46301	0.4
273.19357	0.4
277.21838	1.4
327.69498	0.5
431.22116	41.6
432.22479	4.4
518.25360	5.4
518.31897	0.5
519.26642	1.7
519.33942	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01033	0.2
59.01266	1.6
61.98703	0.5
62.96280	0.2
66.50169	0.2
71.14233	0.2
71.14584	0.4
78.95790	41.3
96.96857	5.5
100.18442	0.2
117.99657	0.2
130.15996	0.2
150.97966	1.5
152.99516	100.0
153.99884	1.2
171.00581	3.5
265.78012	0.2
277.21805	0.7
371.22769	0.2
380.18130	0.2
431.22083	24.8
432.22446	2.9
518.25330	5.6
519.25787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
58.00454	0.7
59.01265	26.8
60.99187	1.0
61.98682	2.1
61.98969	0.6
69.03323	1.8
71.00900	0.8
71.01265	9.5
71.04883	2.4
71.56580	0.8
72.99179	1.3
73.02833	3.6
75.00768	3.6
78.95742	0.7
81.03334	0.8
82.26059	0.5
83.01254	1.4
83.04901	1.0
83.83174	0.6
85.02845	3.3
85.06428	0.5
87.00771	1.4
89.02342	5.2
95.01272	1.0
97.06472	0.8
99.04394	0.8
101.02333	6.7
107.01264	0.7
109.02841	1.6
113.02351	3.3
118.53529	0.7
119.03429	1.5
119.08577	1.0
125.02360	2.9
125.09638	0.7
129.37486	0.6
135.02921	9.7
137.02341	0.8
149.04483	0.7
149.09616	0.8
151.00337	1.4
151.03958	0.8
153.01875	0.8
161.02371	0.7
161.04494	2.6
163.03889	0.8
165.01828	1.0
167.10710	3.0
169.01357	2.5
177.01950	0.6
178.99823	1.0
179.10698	1.2
179.14423	3.8
185.05887	0.6
195.13870	9.8
205.12308	10.0
223.13394	100.0
224.13739	5.9
253.09315	17.1
254.09467	0.8
255.06581	0.7
311.22519	1.7
357.26526	36.4
358.26807	3.0
365.13330	0.9
375.25659	1.0
385.27823	0.8
391.30481	0.8
398.40472	0.7
399.27719	0.9
409.31000	1.5
427.32703	1.0
435.29218	0.9
439.31989	1.1
457.33237	7.0
459.22421	14.3
459.28641	0.6
460.22931	2.2
471.30457	3.3
473.32837	1.2
475.34323	3.0
489.31955	2.0
501.20569	1.1
501.32123	9.3
502.32440	1.2
518.32428	3.9
519.32928	94.6
520.33466	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	519.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93911	0.3
55.01770	0.5
57.03329	0.8
58.00483	0.4
58.35312	0.3
59.01263	28.0
60.01561	0.3
61.06758	0.3
61.98701	0.8
64.09435	0.3
69.03341	0.8
71.01270	11.2
71.04906	16.8
71.56650	0.3
71.57023	0.3
72.05244	0.3
72.99203	0.8
73.02834	13.7
75.00768	0.7
83.01275	4.7
85.02832	2.0
87.00765	0.7
89.02328	3.8
93.03362	1.2
95.01297	0.6
96.95911	0.5
97.02843	0.3
99.00758	0.4
101.02343	13.5
108.02062	0.3
109.02881	0.4
109.48773	0.3
113.02351	6.0
119.03413	1.9
119.04945	0.7
125.02348	1.3
131.03424	1.3
134.03677	0.7
135.02888	0.5
135.04445	0.6
137.02342	0.8
138.06903	0.3
143.03395	1.4
149.04489	2.1
149.06033	0.5
151.00278	0.4
151.03970	0.3
152.01073	0.5
153.01897	0.3
161.04507	4.5
163.03969	0.5
163.06042	0.6
175.02541	0.4
177.01839	0.4
178.99734	0.3
179.05505	0.4
191.01973	0.3
193.05075	0.5
203.05617	0.5
221.06712	0.9
274.64642	0.3
301.03778	0.4
303.21109	1.7
307.15976	0.3
319.24365	13.8
320.24637	0.9
333.22021	0.3
335.23932	0.7
337.25613	0.8
353.24875	1.4
357.26065	0.3
367.26428	0.5
369.24136	0.4
385.27573	4.2
386.28116	0.5
405.26532	8.6
406.26901	0.6
429.30444	0.5
439.28284	0.4
441.30341	0.5
443.87314	0.3
447.07590	1.0
455.31714	4.8
456.32129	0.8
457.33188	1.0
471.31238	7.3
472.31595	0.9
485.63016	0.3
501.32263	4.3
519.11707	1.9
519.33368	100.0
520.11023	0.6
520.33710	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	519.3181
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01780	0.5
57.03337	1.1
58.00463	0.2
59.01262	19.6
61.98710	0.6
69.03324	0.3
71.01266	3.7
71.04914	1.4
71.56111	0.3
72.99190	0.3
73.02840	1.6
75.00799	0.3
83.01283	0.9
83.04897	0.3
85.02843	2.7
87.00758	0.3
89.02319	0.7
95.01271	0.3
99.00772	0.8
99.04440	0.2
101.02339	4.3
106.90451	0.2
108.02074	2.1
109.02866	0.6
109.06545	0.2
110.06604	0.2
111.00804	0.4
113.02357	1.8
119.08599	1.0
125.02358	0.5
134.22362	0.2
135.02905	0.4
137.02431	0.3
137.09648	0.2
152.01091	1.2
153.01875	0.4
156.68100	0.2
161.04486	0.6
169.12300	0.3
209.08182	0.3
241.16029	0.3
243.17764	0.2
255.17699	0.3
277.14481	0.2
279.23325	0.4
311.22629	0.4
325.25522	0.2
339.25363	0.7
357.26559	2.7
358.26456	0.2
359.23849	0.5
373.25601	0.6
375.27029	2.5
376.27557	0.3
377.24637	0.3
377.28790	0.4
387.25473	1.0
391.30212	2.9
392.30359	0.5
393.28073	1.3
407.29733	1.4
409.31332	0.7
411.29138	0.3
421.31427	0.4
425.30606	0.4
439.32413	1.4
441.28812	1.0
453.29898	0.3
457.33429	7.8
458.33701	1.1
459.30789	0.9
469.29410	0.3
471.31549	0.2
473.32635	0.7
475.34280	0.6
485.32986	0.4
501.32205	5.0
502.32861	0.6
503.30185	0.3
519.32813	100.0
520.15533	0.4
520.33234	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	519.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09524	0.2
57.03334	1.1
59.00992	0.3
59.01264	3.9
61.98721	1.2
68.29719	0.2
71.01271	0.5
71.58406	0.4
73.02840	4.2
75.00743	0.4
80.44328	0.2
91.78815	0.2
111.08157	0.2
119.08568	0.6
120.94331	0.2
135.02963	0.2
209.87151	0.3
217.16014	0.3
255.56328	0.3
291.19708	0.4
357.25961	1.0
360.24036	0.3
363.27255	0.3
373.29083	3.3
374.29791	0.4
375.26926	1.2
391.30325	1.5
393.28531	0.3
407.29614	1.4
409.31113	0.8
417.28088	0.4
419.29590	0.6
425.30594	0.7
437.30762	0.7
439.32297	2.8
440.32614	0.3
443.31799	0.4
455.27567	0.5
457.33258	0.8
471.30991	0.3
475.34357	0.3
483.31223	0.3
485.32819	100.0
486.33160	15.9
501.32556	4.5
502.32736	0.7
519.33478	13.9
520.12811	0.5
520.33759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94198	1.0
59.01264	40.3
61.98711	1.3
64.31889	1.1
70.14548	1.0
71.58450	1.4
72.03446	0.9
78.95808	1.9
80.02570	1.3
81.03352	2.1
83.04929	5.3
84.27294	1.0
88.41995	0.9
89.77253	1.1
93.03312	1.3
125.09700	1.8
135.08098	1.6
141.05576	1.3
152.99532	4.3
153.09177	3.0
163.11247	6.3
165.12807	8.2
169.59479	1.0
171.10251	3.1
181.12312	2.3
183.13850	2.7
185.11763	2.0
191.10728	1.8
191.14386	2.9
193.12419	1.1
201.21704	1.1
209.11818	100.0
210.12143	5.9
211.13406	16.8
212.13748	1.5
218.49643	1.1
227.12907	27.9
228.13338	2.1
228.83382	1.0
245.19147	3.8
247.20676	4.0
273.18634	2.8
289.18173	18.3
290.18393	1.9
291.19757	34.2
292.20135	3.2
302.89627	1.0
307.19196	21.6
308.19675	1.7
309.20779	43.1
310.21136	4.7
325.20383	5.5
375.25479	1.8
392.41180	1.3
483.31021	3.2
501.32498	6.8
501.38684	1.3
502.32565	1.4
519.33221	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	519.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01263	23.7
71.58009	0.4
71.58496	0.9
78.95792	0.8
80.02560	1.0
80.96378	0.5
81.03359	2.0
83.01254	0.6
83.04909	4.3
84.02043	1.2
85.45615	0.4
89.89523	0.5
89.90149	0.5
93.03329	0.6
95.04910	1.4
100.26800	0.5
109.06457	0.5
111.08067	1.9
125.09607	0.8
127.07566	0.7
127.11190	0.8
131.79886	0.5
135.08025	0.5
143.00826	0.5
148.65503	0.5
151.11200	2.1
152.99506	1.4
153.09132	0.8
153.12785	3.1
155.10657	0.6
163.11234	3.9
165.12798	2.3
166.77159	0.5
167.10741	1.4
169.12321	1.0
179.10715	0.7
179.14404	1.7
181.12306	3.3
191.10739	1.2
193.16025	0.7
197.11864	1.3
199.13509	1.2
207.10381	0.5
207.13931	1.2
209.11829	61.1
210.12186	3.3
211.13484	0.7
215.12816	1.1
220.27788	0.5
225.11343	0.8
227.12904	18.6
227.15152	1.0
228.13354	1.1
241.38161	0.5
247.20724	4.4
263.20068	0.8
273.18649	2.2
281.21225	1.2
289.18228	1.6
291.19736	33.7
292.20117	3.1
307.19208	1.1
309.20773	100.0
310.21152	9.2
318.21570	0.5
335.22836	0.6
381.51056	0.6
385.47208	0.6
391.24738	1.5
409.25989	1.4
439.32468	1.0
447.67645	0.6
483.31271	3.5
484.31177	1.1
501.32245	5.3
502.32401	0.8
519.33392	4.1
520.34119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64678	0.2
53.45695	0.2
55.31160	0.2
56.82174	0.2
57.03333	0.6
59.01256	1.5
60.99183	0.5
61.98704	0.3
71.01266	0.2
71.04892	0.8
71.27862	0.5
73.02833	0.6
83.04928	0.5
86.17995	0.2
96.95913	0.3
97.06451	0.3
104.78694	0.2
119.08588	1.1
152.99518	0.4
167.84834	0.2
221.91406	0.2
223.14977	0.4
235.56735	0.2
255.21246	0.3
277.65240	0.2
287.20053	0.5
357.25952	2.7
359.23874	0.3
373.29056	7.5
374.29419	0.7
375.27240	1.0
387.26746	0.5
387.31107	0.4
389.28549	0.7
391.30206	3.2
392.30432	0.3
405.27997	0.9
406.28653	0.3
407.29626	0.8
419.29764	0.3
421.31149	0.7
423.29044	0.7
437.30701	0.5
439.32202	3.8
440.32578	0.5
453.30084	0.3
455.27859	0.5
467.31741	0.4
468.32141	0.3
473.32999	0.6
475.30600	0.3
483.31393	0.3
485.32800	100.0
486.33127	16.7
501.32321	2.6
502.32748	0.4
519.33539	4.2
520.33667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.4
60.99168	0.4
67.19291	0.3
73.02833	0.5
73.11456	0.3
83.04866	0.3
90.72836	0.4
90.75144	0.3
98.19730	0.6
119.08578	1.0
127.71349	0.3
142.52002	0.3
149.62088	0.3
217.16019	0.4
230.30522	0.4
313.20859	0.3
357.26083	1.5
373.29025	7.9
374.29474	1.1
375.26913	0.9
389.28406	0.8
391.30173	3.3
392.30750	0.5
407.29550	1.0
408.30215	0.4
436.42468	0.4
439.32407	0.5
453.30008	0.3
455.27817	0.6
485.32806	100.0
486.33167	16.9
501.32074	0.6
519.33331	9.7
520.33618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3335
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
51.71835	6.0
51.97682	5.2
59.01257	56.8
61.98700	8.2
69.85505	32.5
73.07014	5.3
78.13356	5.7
78.95788	6.8
82.15685	4.8
92.18386	5.3
102.90091	5.6
149.09680	5.0
155.79295	5.8
213.67461	5.4
291.19687	12.6
359.84094	7.2
475.33951	7.4
485.32782	66.7
486.33148	8.5
501.32281	41.4
502.32785	10.4
519.33740	100.0
520.33972	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	519.3338
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
57.03341	0.1
57.80225	0.1
59.01258	0.4
60.67830	0.1
66.42362	0.1
70.91640	0.2
70.91964	0.2
71.01264	0.1
71.04906	0.9
72.96497	0.1
72.99187	0.1
73.02837	0.2
76.34711	0.1
83.04943	0.1
84.50382	0.1
84.66763	0.1
85.02844	0.1
89.02329	0.1
89.06774	0.1
103.68279	0.1
123.08064	0.2
135.08049	0.1
148.34981	0.1
165.09059	0.1
172.43820	0.1
175.11188	0.2
181.00806	0.1
189.12869	0.1
189.23474	0.1
205.12341	0.1
224.89752	0.1
225.16455	0.1
239.14539	0.1
243.03081	0.2
258.50925	0.1
261.04016	0.2
357.26157	0.2
359.24115	0.2
361.25394	0.2
363.26962	0.4
371.28110	0.1
373.25085	0.2
373.29150	0.5
375.27100	0.5
376.27567	0.2
377.24597	0.1
377.28574	2.3
378.28888	0.3
379.30310	0.8
389.25040	0.1
389.28772	0.9
391.30316	1.6
392.30807	0.1
393.28247	0.6
404.71075	0.1
405.17545	0.2
405.28067	0.5
407.29630	6.6
408.30090	0.8
409.31479	1.1
410.31253	0.2
411.29013	0.3
421.27695	0.2
423.28983	0.3
425.30588	0.4
427.32318	0.4
430.12878	0.1
435.28897	0.4
439.28549	0.1
441.30408	0.2
451.28433	0.3
453.30121	0.2
457.33328	1.5
458.33978	0.2
459.31250	0.5
471.30682	0.2
473.32892	1.2
474.33127	0.3
475.34448	0.3
487.30856	0.2
489.32040	0.6
501.32336	7.9
502.32788	1.1
519.33344	100.0
520.33710	16.8
549.73413	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50385	0.1
53.27921	0.1
59.01249	0.4
69.40439	0.9
69.82606	0.1
71.01247	0.1
71.04914	1.1
83.04913	0.1
86.55500	0.1
86.94894	0.1
103.21857	0.1
123.08072	0.1
135.04501	0.1
135.08038	0.2
165.09116	0.1
175.11186	0.2
189.12766	0.1
253.09502	0.1
323.23843	0.3
325.25412	0.1
325.46265	0.1
363.27197	0.1
375.27051	0.4
377.24100	0.2
377.28555	2.0
378.28891	0.3
379.30219	0.5
389.28641	0.7
391.30121	0.4
395.29688	0.3
403.28140	0.1
405.28204	0.4
406.28397	0.1
407.29645	4.3
408.29892	0.5
409.26993	0.1
409.31732	0.1
411.29608	0.1
423.29352	0.2
425.30814	0.3
427.32239	0.2
435.28915	0.3
451.28561	0.6
453.30145	0.3
459.31281	1.2
465.26535	0.1
475.34546	0.6
487.30829	0.3
501.32312	9.6
502.32590	1.6
519.33325	100.0
520.33661	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	519.334
Annotation	Gamboukokoensein A
Peak:m/z	Relative Intensity
53.19191	0.2
57.03327	0.7
59.01265	9.1
60.99201	0.5
61.98723	1.3
70.90059	0.6
71.01263	2.6
71.04916	2.8
72.99196	0.4
73.02827	1.2
73.50966	0.2
76.64568	0.2
83.01264	0.6
83.04929	0.3
85.02843	1.3
87.00802	0.3
89.02333	1.3
96.95937	0.4
101.02361	2.1
103.94718	0.2
113.02350	0.9
119.03437	0.4
119.08568	1.3
121.06445	0.3
125.02375	1.0
127.02726	0.3
135.04472	0.4
149.04517	0.4
151.00365	0.3
151.03905	0.4
152.01103	0.2
159.11725	0.2
161.04503	0.6
163.03905	0.3
165.01816	0.4
173.13219	0.2
177.01894	0.4
178.99908	0.3
179.03497	0.4
189.12914	0.3
190.13605	0.2
191.02010	0.3
216.59229	0.3
225.76707	0.3
240.04253	0.2
305.22824	0.4
311.71417	0.2
327.08768	0.3
355.24280	0.4
357.26208	0.9
371.27509	1.2
373.29028	1.7
375.27164	1.1
389.28671	1.2
391.30154	1.0
393.28165	0.7
399.23975	0.7
405.27237	0.8
409.31299	0.5
417.24884	0.5
423.29187	0.5
425.30664	0.5
427.54492	0.3
435.29105	0.8
437.30762	0.7
441.29868	0.6
453.29993	0.3
457.33203	1.0
459.21460	1.2
477.23364	0.3
483.31219	4.5
484.31705	0.5
501.32327	23.2
502.32776	3.0
519.33368	100.0
520.33734	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	519.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16801	0.2
55.01756	0.2
57.03327	0.6
59.01264	5.3
61.98703	0.5
65.21924	0.2
69.03331	0.5
71.01276	2.0
71.04910	11.7
72.05252	0.2
72.99182	0.2
73.02832	2.3
73.83749	0.2
75.00770	0.2
83.01271	0.6
85.02837	0.6
87.00764	0.3
89.02334	1.1
99.00770	0.3
99.04385	0.2
101.02345	2.0
109.02911	0.2
113.02356	1.3
119.03419	0.4
119.04938	0.3
119.08553	0.2
125.02356	0.4
131.03424	0.3
135.02882	0.2
135.95386	0.1
143.03381	0.3
149.04482	0.5
151.00223	0.2
161.04489	0.7
163.06067	0.2
177.01765	0.2
187.30623	0.1
193.04974	0.2
200.05464	0.2
303.21313	1.0
304.21564	0.2
319.24353	9.9
320.24683	1.1
333.22345	0.2
334.35745	0.1
335.23862	0.4
337.25357	0.5
347.23596	0.2
349.25351	0.2
353.24960	0.7
363.27106	0.4
367.26535	0.2
369.24368	0.2
371.26526	0.2
379.30225	0.3
385.27600	2.2
386.27896	0.3
387.20599	0.2
402.04773	0.2
405.26529	5.3
406.27042	0.8
410.52914	0.2
423.29608	0.2
425.30859	0.2
429.30347	1.1
438.99518	0.2
441.30121	0.4
445.33331	0.7
447.07678	0.3
455.31729	2.7
456.32007	0.3
457.33368	0.9
471.31226	12.8
472.31720	2.1
474.29364	0.2
489.32010	0.3
499.31604	0.2
501.32303	4.2
502.32901	0.7
519.33344	100.0
520.33667	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	519.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98585	0.2
59.01239	0.3
63.80256	0.2
64.90994	0.2
68.42333	0.2
70.53431	0.8
71.04908	1.3
76.26419	0.2
83.04882	0.2
97.85417	0.2
112.81812	0.2
149.34032	0.2
150.29474	0.2
165.51224	0.2
190.18129	0.2
217.81404	0.2
219.51321	0.2
294.43240	0.3
363.26959	0.3
364.04211	0.2
373.29126	0.5
375.27090	0.3
379.30215	0.5
389.24414	0.3
389.28976	0.4
391.30173	1.5
393.28168	0.7
405.28415	0.3
407.29730	0.5
409.31116	1.7
411.29001	0.5
419.25848	0.4
427.32077	0.7
435.29105	0.5
441.35815	0.2
449.26953	0.2
451.28406	0.2
453.29770	0.7
454.30933	0.2
459.31418	0.9
471.30396	0.6
475.34457	0.3
501.32275	11.4
502.32770	2.2
519.33337	100.0
520.33691	16.0
539.43213	0.2
545.88544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.1
61.98727	0.4
71.01278	0.4
71.11743	0.7
101.02366	0.3
119.08602	0.4
119.44085	0.4
143.59464	0.3
218.34544	0.4
227.02991	0.4
277.20770	0.4
357.26013	1.0
363.27100	0.6
373.25128	0.8
373.29080	1.6
374.29501	0.4
375.26840	0.7
379.30078	1.2
387.26837	0.7
389.28732	0.4
391.30280	3.5
405.27917	1.2
406.28360	0.4
407.30063	1.7
409.31271	4.3
410.31580	0.6
423.29544	0.6
425.30963	0.7
435.84579	0.4
453.30173	1.2
457.33005	1.1
473.32623	1.6
475.34308	0.9
501.32312	3.4
502.33167	0.6
519.33337	100.0
520.33710	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	519.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86625	0.2
51.89859	0.2
59.01263	100.0
60.01599	0.8
61.98703	0.2
69.85386	0.6
69.85799	0.6
70.46741	0.2
93.68649	0.2
126.09766	0.2
135.82578	0.2
151.55363	0.2
302.56342	0.2
359.39532	0.2
475.34378	0.2
519.32788	2.2
520.34045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35530	0.2
59.01263	100.0
60.01604	1.0
61.97630	0.2
61.98704	0.4
63.54181	0.2
68.80438	0.2
69.95496	1.3
70.10736	0.2
77.47755	0.3
140.37262	0.2
140.89650	0.2
152.99554	0.8
218.42883	0.2
250.70692	0.2
439.32443	0.3
457.33139	0.3
485.33035	0.7
519.33783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67612	0.4
54.75253	0.4
59.01263	100.0
60.01596	1.1
61.98721	0.6
69.56055	0.3
69.73672	2.5
78.95813	1.8
79.95631	1.7
80.96431	1.1
96.95905	0.8
98.20562	0.5
98.88229	0.4
107.78603	0.3
110.35865	0.4
125.09649	0.8
152.99507	3.5
169.87090	0.3
185.11726	0.5
224.58119	0.4
234.65567	0.4
267.05069	0.3
291.19742	0.7
293.21603	0.4
393.26532	0.5
411.27463	0.8
411.33029	0.4
439.32593	0.5
459.34949	4.6
460.35385	0.6
501.32629	1.5
502.15268	0.4
502.32373	0.4
519.27350	1.4
519.33691	9.5
520.34119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.1
59.01269	9.6
61.77086	0.8
63.02272	1.3
65.00217	2.7
65.99729	2.6
68.01303	1.3
71.01273	7.7
72.99199	1.1
73.02839	0.9
83.01256	1.3
85.02825	2.5
89.02344	4.0
89.12978	0.9
93.03354	1.8
95.01304	3.4
98.94824	0.8
101.02347	2.6
102.33924	0.8
107.01295	4.2
108.02112	1.1
109.02863	14.5
111.00787	2.0
111.30807	0.9
113.02340	1.6
118.02919	1.5
119.01287	1.0
121.02872	6.3
122.02393	1.1
123.00797	4.4
123.04433	1.8
124.01582	1.9
125.02387	4.4
133.02850	4.2
134.02420	7.2
135.00821	3.9
135.04459	1.2
136.01628	1.3
137.02364	16.4
139.00331	2.4
139.03952	1.9
145.02939	1.3
146.02406	1.8
147.00807	3.3
147.03209	1.7
147.04443	2.0
148.01582	27.1
148.04066	0.9
149.02394	10.9
150.01872	1.4
150.03157	2.6
151.00290	14.2
151.03970	1.4
152.01118	2.3
153.01836	2.6
158.02477	1.4
159.04471	3.8
160.04057	1.5
160.05241	9.2
161.02411	3.6
161.04634	1.0
161.06029	2.8
162.01918	17.5
163.00327	11.2
163.02724	1.8
163.03969	5.5
164.01100	2.5
164.03458	11.9
164.04675	1.3
165.01865	3.7
166.99797	2.3
169.01326	1.4
171.04471	0.9
173.02481	1.2
173.06026	1.3
175.00293	5.5
175.03984	2.5
175.07607	6.7
176.01122	2.5
176.03389	1.9
177.01889	42.9
177.05444	1.7
178.02361	1.4
178.06363	2.6
178.99808	8.2
179.03459	2.8
181.01358	1.3
183.04433	1.5
186.01935	8.2
187.04031	2.1
188.03430	1.2
189.01903	2.5
190.01321	4.9
191.02008	4.3
191.03291	1.4
191.03653	2.0
192.00601	1.9
193.01424	2.9
197.02437	1.3
198.03052	1.2
199.03975	4.0
201.05547	2.0
202.01439	3.2
202.99826	7.8
203.02087	3.1
203.03696	2.1
204.02988	34.4
205.01466	2.0
205.03358	2.5
206.99330	1.0
208.02527	1.0
211.04047	1.4
214.01387	2.6
215.03519	3.5
217.05118	1.3
219.03017	1.2
226.02773	1.5
227.03481	4.7
229.05090	1.0
229.50989	1.2
230.00905	14.8
239.03572	2.0
240.04137	1.5
241.01546	0.9
241.05057	2.8
242.02182	1.8
243.03017	8.5
245.01068	1.0
245.04579	2.8
247.01352	2.6
250.05042	1.2
255.03162	4.8
255.05383	1.0
256.03592	1.5
259.02588	1.6
266.04568	2.1
267.03152	2.7
269.04608	2.1
270.01785	2.7
271.02533	22.4
272.03214	6.0
272.05807	1.1
273.04141	5.3
282.04398	1.4
283.02338	1.7
284.03217	3.1
285.04044	5.2
286.03705	1.3
287.02026	3.9
288.02728	2.6
289.03598	1.9
293.03641	1.1
294.04175	5.8
295.02570	3.5
296.05798	2.3
297.03906	1.3
299.02026	31.4
300.02628	9.3
300.05231	1.1
301.03217	2.0
310.03641	3.8
311.04553	1.4
311.07739	6.2
312.02567	2.1
313.03555	14.5
314.04053	1.6
316.02271	12.8
317.03040	19.9
318.03442	2.2
322.03674	16.1
323.04160	2.7
324.05209	1.5
329.09061	3.9
329.13986	34.9
339.03882	16.5
340.04660	39.6
341.04794	3.3
343.06876	5.6
343.10822	0.9
355.06769	14.5
356.07242	1.1
357.04825	6.4
358.05753	8.2
359.05820	1.2
359.15219	4.4
365.12350	1.0
366.08389	1.5
384.09412	34.0
385.09821	3.0
410.07346	27.0
411.07898	2.9
435.09338	3.4
453.10901	1.9
461.07501	2.2
462.07919	4.8
463.08749	1.3
475.08997	2.2
479.08401	9.8
480.08755	1.9
493.09991	1.4
502.09985	37.4
503.10413	5.7
503.17398	1.4
519.33386	12.3
520.11072	100.0
520.33478	10.6
521.11414	14.8
521.20551	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	520.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89748	1.4
57.81606	1.5
59.01261	12.3
65.00213	2.0
65.99736	2.8
69.03333	1.6
71.01279	3.8
71.57801	2.5
74.22178	1.9
81.03374	1.5
83.01266	2.8
89.02316	2.9
93.03350	1.6
95.01288	3.0
98.82421	1.5
99.00777	2.4
101.02342	3.3
107.01293	4.7
108.06384	1.7
108.08094	1.7
108.37978	1.5
109.02870	5.0
109.99998	1.9
111.00770	2.3
119.01277	2.8
121.02841	3.9
123.00768	3.8
124.01576	4.1
125.02371	25.6
129.25200	1.4
129.29088	1.5
134.02385	4.7
135.00786	5.1
136.01610	1.9
137.02386	12.2
139.00281	6.9
146.02379	2.7
147.00832	5.9
148.01552	2.4
149.02382	5.5
151.00298	19.0
152.01089	10.1
153.01883	4.3
158.02402	3.0
159.04510	2.5
161.02431	2.2
162.01913	7.6
163.00339	13.0
163.02676	4.2
164.01129	35.5
164.03391	9.9
165.01836	6.9
166.99783	2.4
169.01361	4.6
171.04510	3.1
174.02037	2.5
175.00323	8.6
175.04016	3.5
176.01108	3.7
176.03371	1.9
177.00327	1.9
177.01907	40.1
178.01384	1.7
178.99834	12.9
180.00446	2.1
181.01428	2.6
186.01915	13.6
187.04028	2.3
189.01904	3.5
190.01445	7.5
190.99838	6.0
191.02112	12.7
191.03592	1.7
192.03067	3.4
193.01373	5.7
196.05986	2.1
199.03909	1.9
202.01418	5.0
202.99825	21.9
203.02136	6.7
203.03735	3.0
204.00330	1.7
204.02997	25.3
205.01392	5.3
205.03278	2.1
206.99377	2.9
207.02969	3.3
208.00130	2.8
208.02530	2.0
209.00954	1.8
215.03493	5.2
217.04947	2.0
219.02977	6.7
221.00848	2.3
222.04065	3.2
227.03403	2.9
229.01329	3.6
230.00934	38.5
231.01292	3.7
231.03319	2.4
233.04686	1.8
241.01453	2.6
242.02020	2.0
243.02986	6.2
246.04230	3.9
247.01114	3.6
252.03070	1.7
255.03172	2.6
259.02368	4.9
261.04187	1.9
269.00827	2.2
271.02481	7.1
285.04120	2.1
286.03806	2.0
287.02036	24.7
287.04947	2.6
288.02722	3.7
289.03650	4.1
293.79166	1.8
294.04001	2.4
298.03842	2.5
301.03397	2.5
304.02045	1.9
310.03671	4.9
311.01773	2.2
312.05280	3.5
315.01526	15.8
316.02252	7.5
317.02881	1.9
327.07352	4.6
328.04648	3.3
329.02759	3.8
331.03683	1.9
332.01581	8.0
333.02570	16.0
338.03104	17.5
341.08884	2.0
343.63889	1.7
350.09015	3.5
355.03171	6.2
355.06845	15.1
356.04065	20.1
359.15594	1.7
365.58069	1.7
368.10013	17.9
369.10425	1.7
373.04404	20.9
374.05151	13.2
386.80362	1.7
394.07849	100.0
395.08182	11.6
453.10355	2.3
461.07053	1.9
462.08237	2.5
463.08740	2.6
479.08395	11.4
480.08725	3.0
502.10049	11.2
502.20746	2.0
520.11090	83.0
521.11462	12.4
521.20490	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	520.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
58.00494	0.1
59.01261	2.8
61.98713	100.0
62.98405	0.2
71.01265	2.5
71.04912	0.4
71.56116	0.2
72.99178	0.2
73.02844	0.3
74.02377	0.3
75.00760	0.2
83.01270	0.3
85.02844	0.5
89.02328	2.1
90.02684	0.2
91.02766	0.2
93.03363	0.4
96.95935	0.3
97.02893	0.2
101.02344	0.6
113.02359	0.5
113.26386	0.1
119.03397	0.2
119.04914	0.3
121.02894	0.2
123.04441	0.2
125.02379	0.7
126.02689	0.2
128.03447	0.4
131.03404	0.3
135.02962	0.3
135.04431	0.3
137.02368	0.4
143.04565	0.6
148.05255	0.3
149.04507	0.3
151.00314	0.2
163.03944	0.2
187.03926	0.3
220.07425	0.3
225.11267	1.1
226.11638	0.8
234.07089	0.3
235.09793	0.3
237.16461	0.2
254.07823	0.2
271.02762	0.2
272.09030	0.2
273.18777	0.1
283.09747	0.2
293.02356	0.2
293.08844	0.2
294.08908	0.2
295.09393	0.3
296.09470	0.2
306.07617	0.2
307.08002	0.6
308.07309	0.7
311.09366	0.6
323.42639	0.1
326.11731	0.3
341.10373	0.3
341.14090	0.2
354.36398	0.1
359.15088	0.4
371.15027	1.8
373.29086	0.3
374.29657	0.2
391.30374	0.3
397.24731	0.2
447.07684	0.6
457.33255	0.2
458.33691	0.2
475.30814	0.3
476.31342	0.3
501.32291	0.6
502.32785	0.5
519.33423	10.1
520.33838	7.1
520.74896	0.2
521.33160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.4
61.98711	0.9
62.24152	0.4
62.56579	0.3
62.72573	0.3
70.31833	0.3
71.25425	0.4
71.28176	0.6
78.95792	42.6
90.17513	0.4
96.96861	5.9
109.06547	0.3
150.97986	1.1
152.99521	100.0
153.99829	1.5
157.40846	0.4
163.28201	0.4
171.00610	3.9
230.14935	0.4
279.23434	0.9
285.83008	0.4
292.20258	0.4
433.23669	27.2
434.24222	2.2
472.25977	0.4
520.26898	6.9
520.33990	0.8
521.27521	0.8
521.35254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.2
59.01270	1.5
60.99190	12.9
71.01270	0.8
71.04910	2.4
71.57674	0.3
71.58025	0.2
72.05256	0.5
73.02827	0.3
75.00745	0.2
83.01295	0.2
85.02846	0.7
88.98696	100.0
89.02354	0.6
89.99013	0.9
93.03355	1.7
99.60970	0.2
101.02328	0.5
101.44559	0.2
119.04919	0.2
125.02348	0.3
135.04413	0.3
137.02362	2.8
138.49219	0.2
151.00296	0.4
151.70287	0.2
191.01985	0.2
227.03467	0.6
255.03064	1.0
256.03445	0.3
284.03223	1.1
285.04028	1.2
286.04324	0.3
298.08633	0.2
319.24390	0.5
320.24686	1.7
341.10233	1.0
356.13083	0.2
371.15213	1.4
386.27820	0.5
405.26569	0.3
406.26938	1.0
431.09839	2.0
432.10135	0.4
502.32477	0.2
520.26947	0.4
520.33728	10.3
521.09052	0.5
521.16461	0.4
521.26196	0.9
521.33917	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	521.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03327	2.2
57.04963	0.8
59.01262	28.1
60.99161	1.0
61.98711	7.7
62.20191	0.9
63.32548	0.9
70.43542	1.1
70.43898	3.5
71.01262	17.5
71.04893	1.9
72.99195	6.0
73.02827	7.4
75.00757	39.4
76.01068	1.0
76.54165	1.0
81.03325	1.3
83.01270	3.3
83.04875	0.8
84.37570	0.8
85.02834	10.1
85.47316	0.9
87.00765	2.4
89.02329	16.4
90.32667	0.9
95.01285	2.6
97.02853	1.2
99.00751	2.1
101.02339	11.6
103.03917	2.1
108.02071	57.4
109.02866	39.8
110.03163	2.3
113.02334	5.8
117.01844	2.6
119.03416	3.4
121.02845	3.2
123.00763	2.0
123.04428	3.0
125.02335	4.2
131.03372	2.6
132.02057	1.3
133.02879	1.3
134.03645	1.7
135.02914	100.0
135.04506	3.5
136.03265	1.2
137.02344	3.1
139.53300	0.9
143.03403	1.9
146.03650	2.0
149.04538	1.4
149.05977	1.0
151.03912	2.5
152.01082	68.9
153.01880	22.3
153.05493	2.0
158.03728	1.7
159.03117	1.0
159.04344	4.8
159.08124	2.6
160.01566	4.4
161.02364	1.4
161.04503	2.1
161.05952	2.1
161.09633	3.9
163.03915	1.9
163.06059	10.4
165.01880	3.0
172.05310	1.3
173.02203	1.1
173.05998	1.1
174.03174	2.3
176.04799	1.0
177.01901	1.5
179.03474	1.4
179.05510	1.1
179.10670	1.4
183.04369	1.1
186.03175	3.8
187.03926	5.0
188.04620	2.0
189.05493	1.1
192.18584	1.0
193.05153	1.2
193.54779	0.8
200.04810	1.8
205.07103	3.0
211.13496	0.9
212.04787	2.0
214.02792	1.5
225.05666	1.5
226.06300	1.6
279.13675	1.0
291.44501	0.9
297.15042	3.5
306.78702	1.1
311.12704	4.5
313.14737	1.2
315.07214	14.7
316.07556	1.2
323.12729	4.5
331.15347	2.1
339.12247	3.4
341.13986	9.8
342.13992	1.4
345.17136	1.4
353.13724	2.4
357.13474	10.0
359.15085	9.0
359.27902	1.8
360.15414	1.2
365.13629	1.0
383.14609	2.9
385.12985	77.3
386.13269	6.9
399.18204	1.1
403.13925	4.2
459.17853	2.1
459.34787	1.4
461.23795	9.5
470.64313	1.1
477.17822	29.2
478.18036	3.1
503.16794	8.8
503.32269	1.7
520.33667	18.8
521.16766	81.0
521.33783	31.6
522.17108	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	521.1676
Annotation	3,15-Di-O-acetylbruceolide
Peak:m/z	Relative Intensity
52.09381	0.4
57.03328	1.0
57.83181	0.4
59.01268	7.7
61.98719	4.2
67.71587	0.4
69.03342	0.9
71.01272	8.2
72.99199	2.5
73.02838	2.9
75.00786	0.5
81.03350	1.7
83.01284	1.7
83.04943	0.5
85.02845	7.7
87.00787	0.6
87.04418	0.6
89.02328	3.0
93.03366	1.9
95.01286	4.8
96.95918	8.2
97.02879	0.5
98.19796	1.0
99.00781	2.1
101.02346	4.8
108.02081	95.5
109.02875	58.2
110.03196	2.0
111.04391	0.5
113.02359	2.8
121.02891	2.8
123.00802	3.7
123.04437	1.4
123.45780	0.5
125.02369	1.8
133.02875	0.6
133.10127	0.5
134.03619	0.5
135.00865	0.8
135.02917	0.5
135.04451	3.2
135.11743	0.9
137.02350	1.7
149.04526	0.8
149.05969	0.5
151.03963	1.8
152.01096	100.0
152.12326	0.5
153.01891	31.2
154.02228	1.2
159.02997	0.6
159.08147	1.1
161.04495	1.5
161.09666	3.4
162.46336	0.4
163.03976	1.9
165.01868	2.2
177.01900	1.6
179.03474	0.9
179.10757	2.3
219.03395	0.4
227.07106	1.3
271.13208	0.5
315.07291	20.6
316.07501	1.7
353.14011	0.4
359.28040	0.7
361.57605	0.4
371.14883	0.6
425.30331	0.6
459.16803	0.8
459.34866	1.8
461.24213	1.6
477.17783	51.1
478.18130	5.9
491.33768	0.7
502.33356	0.6
503.15903	2.9
520.33722	7.2
521.16748	92.2
521.33783	14.3
522.17078	13.1
522.33801	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33073	0.5
54.26046	0.4
55.01763	0.9
57.03355	1.0
58.00467	1.2
59.01263	21.8
61.15046	0.4
65.00178	0.6
71.01269	20.3
72.01595	0.5
72.99194	2.8
73.02834	3.9
75.00753	0.7
83.01279	3.6
85.02840	7.3
87.00768	1.3
89.02336	11.0
94.66730	0.5
95.01291	1.7
96.95925	0.7
99.00779	1.4
101.02340	14.2
101.69535	0.5
103.45825	0.5
108.02074	1.1
109.02854	6.3
111.00803	0.6
113.02357	6.1
119.03414	4.3
123.00747	0.8
123.04452	0.6
125.02369	1.5
129.01729	0.6
135.02922	0.7
135.04384	0.7
137.02376	0.7
151.00267	1.4
159.02980	0.4
159.04407	2.7
161.04489	0.6
167.03471	0.5
172.05214	0.8
173.06029	3.3
177.01831	0.8
178.99814	1.2
179.05569	1.0
184.16310	0.5
185.06027	0.5
187.07578	1.2
189.05524	1.5
190.06140	0.5
191.07138	1.2
193.01288	0.5
203.07098	1.2
230.00914	0.6
231.01143	0.7
241.05103	4.1
253.05098	1.5
255.06630	3.2
263.07098	0.6
267.06760	0.8
268.07379	1.0
269.07999	0.6
281.08179	1.6
283.09753	1.0
295.09848	1.7
296.10623	0.8
299.09238	2.7
311.09351	3.9
313.10852	5.3
314.11194	0.7
315.12494	0.7
316.02423	0.8
325.10965	0.5
326.11655	2.7
327.12161	1.5
329.10300	2.1
341.13977	4.2
343.11685	1.7
344.12720	20.2
345.13254	2.3
359.15063	51.4
360.15396	4.7
387.31024	0.5
392.27515	0.6
395.08127	1.5
408.92545	0.5
439.07724	1.1
473.12894	0.6
521.20349	100.0
522.12469	1.0
522.20642	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	521.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66177	0.4
52.73069	0.3
55.01787	0.5
57.03349	0.5
59.01263	5.0
61.01689	0.3
69.31820	0.9
69.32218	3.6
71.01273	5.6
71.01620	0.4
72.99222	0.4
73.02863	1.1
81.62559	0.3
83.01292	0.6
85.02847	1.7
89.02340	3.4
91.57459	0.3
98.19845	0.8
99.00826	0.4
101.02350	1.7
108.02042	0.4
109.02865	0.8
111.00806	0.4
113.02401	1.4
121.02865	4.4
122.03664	1.2
123.00830	1.3
123.04478	0.7
124.01632	1.0
125.02419	0.5
135.02969	0.5
135.04448	0.4
136.01608	0.6
136.05273	1.1
137.02400	1.2
137.06049	0.6
139.03992	0.7
143.04979	0.8
146.03661	0.3
147.04486	1.9
149.02414	1.9
149.04526	0.4
150.03172	4.9
151.00371	0.9
152.01112	0.3
153.05540	0.7
158.03633	2.1
159.04448	6.5
160.05241	23.9
161.04512	1.3
161.06026	6.5
163.03969	5.3
164.04715	4.8
165.05275	0.5
168.63255	0.3
173.06047	3.8
174.06781	0.5
175.07599	24.2
176.04720	0.5
176.08008	1.8
177.05542	6.3
178.06310	7.7
178.99791	0.4
179.06763	0.5
187.07587	0.5
191.07155	0.4
192.07916	1.5
193.08638	2.5
208.78743	0.4
215.01016	0.4
251.06870	0.4
269.08313	3.1
271.06134	0.8
281.08344	0.6
283.06506	0.5
283.09854	1.2
284.69943	0.4
293.08774	0.4
295.06293	0.4
298.08569	0.4
299.09171	2.3
300.02640	0.5
311.09351	3.3
314.11630	5.7
315.12070	0.8
316.09583	0.4
325.10849	1.1
326.08084	0.7
326.11636	2.1
329.13989	100.0
330.14331	9.7
341.10251	2.0
341.13977	4.5
342.14291	0.4
343.11804	1.2
343.16071	0.3
356.12738	1.1
359.11243	2.5
359.15100	3.8
367.02887	0.8
367.26331	0.4
371.15051	1.6
374.13818	3.6
389.16171	7.3
390.16370	1.0
447.57980	0.4
491.30161	0.4
520.33783	2.7
521.11646	1.0
521.20190	12.1
521.32983	3.3
522.20111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50050	0.5
57.03330	1.5
58.00483	4.4
59.01263	100.0
59.19859	0.5
60.01599	1.4
69.03333	0.8
69.64722	1.1
69.65127	3.9
69.69353	0.5
71.01269	64.1
72.01605	0.9
72.99207	5.3
73.02836	1.9
76.52298	0.6
83.00831	0.6
83.01266	2.9
85.02837	10.4
87.00762	4.8
89.02335	85.2
90.02668	1.2
91.83351	0.5
95.01273	4.6
97.02840	0.7
99.00767	1.5
99.04365	0.5
101.02342	39.1
102.02686	1.0
108.02066	1.8
109.02867	1.7
113.02357	25.6
119.03415	36.8
119.89085	0.6
120.03756	0.9
121.02879	3.0
122.03627	1.6
123.04394	1.8
125.02318	1.4
130.48570	0.6
131.03435	3.9
131.28223	0.7
135.02882	0.9
135.04443	1.3
136.05144	0.8
143.03436	8.4
149.04485	3.3
150.03131	1.1
158.03661	0.9
159.04442	2.5
160.05249	6.0
161.02373	0.8
161.04463	8.2
161.05984	2.1
161.80569	0.5
163.03893	0.7
165.05472	0.7
172.05212	3.5
173.05971	3.2
175.07605	3.5
179.05563	19.9
187.07639	1.5
189.05537	7.2
190.06291	9.7
195.06444	0.8
203.07095	0.7
205.08655	7.6
281.08115	2.5
295.09741	1.0
296.10641	4.2
311.12878	4.5
326.11514	0.8
329.13898	2.0
341.13995	27.5
342.14374	3.2
387.28290	0.7
456.31784	2.2
457.32031	1.7
520.33850	5.4
521.20636	9.1
521.33441	4.6
522.20453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06190	0.4
59.01264	2.7
61.98711	0.4
69.03336	0.4
71.01266	2.9
71.57417	0.6
73.02822	0.8
75.00734	1.0
83.01263	0.6
85.02845	1.6
89.02328	1.7
96.95902	0.9
99.00793	0.6
101.02324	1.8
108.02087	0.8
109.02859	12.3
113.02351	1.1
115.91850	0.4
121.02895	0.5
123.04425	1.0
125.02342	1.4
135.02887	0.8
135.04391	0.5
137.02361	0.9
143.03424	0.5
149.04539	0.6
151.00291	1.3
151.03917	1.0
158.03658	0.6
159.04449	5.8
161.04536	0.9
163.03873	0.7
171.04472	0.6
173.06076	3.5
178.99809	1.5
189.05522	5.6
191.07147	2.9
195.99602	0.4
197.06165	0.5
197.08258	0.4
203.07132	2.2
213.05585	0.4
240.04349	1.7
241.05083	9.1
242.05495	0.5
255.06668	7.3
256.07199	0.7
264.33118	0.5
265.08929	0.7
267.06613	0.7
269.08267	1.6
281.08295	0.6
295.10004	0.9
297.12518	1.2
298.08322	0.5
299.09348	6.1
300.09766	0.5
313.10886	9.7
314.11221	0.5
329.10324	4.8
330.03760	0.8
343.11926	2.8
344.12695	34.3
345.13046	3.2
355.12943	2.2
359.15073	100.0
360.15375	9.6
367.02734	1.2
367.52725	0.7
399.11975	0.6
431.14743	4.7
432.15356	0.6
461.15353	0.7
477.10712	1.2
478.10928	0.5
521.10803	0.6
521.18976	3.5
521.26471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03338	1.3
58.00473	0.7
59.01266	8.2
63.81704	0.4
65.43393	0.4
71.01269	8.6
71.56955	0.7
72.99198	1.9
73.02825	2.7
75.00785	1.3
80.04919	0.5
83.01287	2.1
85.02842	3.7
87.00777	0.8
89.02341	4.5
95.01299	1.1
99.00786	1.7
101.02354	5.8
107.01288	0.5
109.02867	4.1
113.02361	2.8
115.00269	0.6
119.03459	2.0
119.04927	1.0
121.02853	3.3
122.03656	1.7
123.00805	1.0
123.04459	1.3
124.01591	0.7
125.02387	1.4
135.02931	1.5
135.04451	1.1
136.01483	0.5
136.05196	1.5
137.02391	1.3
143.04950	0.9
146.03654	0.5
147.04457	1.9
149.02396	1.7
149.04507	0.8
150.03180	8.1
151.00311	1.3
151.03923	0.9
152.03484	8.6
153.03828	4.6
153.05017	0.6
153.05513	0.7
158.03709	1.9
159.03152	0.6
159.04456	9.0
160.05249	27.0
161.02333	1.0
161.04507	1.5
161.06018	6.5
163.03949	6.3
164.04747	6.5
165.05252	0.5
172.05208	0.5
173.06023	3.8
174.06691	0.6
175.04126	0.7
175.07603	25.9
176.04713	1.1
176.07944	1.5
177.01888	0.8
177.05533	9.0
178.06311	5.8
178.99857	0.8
179.03442	1.0
189.05545	0.9
191.07132	1.2
192.07780	0.5
193.05121	0.7
193.08669	3.2
196.92413	0.5
241.05017	1.3
255.06662	1.5
295.10159	0.6
299.09280	1.2
311.09354	0.8
313.10931	1.8
314.11566	1.1
315.12207	0.5
326.11771	0.5
327.12463	0.5
329.14008	100.0
330.14304	9.0
341.14206	0.8
343.11859	0.6
344.12698	6.1
345.13205	1.0
359.15048	19.4
360.15536	1.8
461.16672	0.8
521.20313	23.2
521.31531	2.1
522.20685	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	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.3
58.00474	4.3
59.01265	91.7
60.01600	1.1
69.55310	4.6
69.55743	4.7
71.01267	73.8
72.01588	1.9
72.99206	7.6
73.02831	6.1
75.00766	1.9
81.03355	1.1
83.01274	4.2
85.02845	13.0
87.00757	3.9
88.77501	1.2
88.98693	2.3
89.02335	100.0
93.03356	35.8
95.01291	4.9
96.95901	1.7
99.04441	1.2
101.02347	39.3
108.02084	2.5
109.02854	2.8
113.02348	30.3
119.03413	30.6
119.04902	3.8
120.03762	2.4
121.02902	1.6
123.04391	1.8
125.02336	5.6
131.03416	4.1
133.02884	1.5
135.02884	3.5
135.04451	3.8
137.02377	52.4
139.00269	2.5
143.03433	5.8
145.02837	2.2
147.02902	1.3
149.04480	5.6
151.00302	4.7
151.03981	2.9
152.01006	1.9
161.04483	6.7
161.05795	1.8
163.03952	3.0
167.03450	1.4
178.99821	2.3
179.03416	2.6
179.05548	15.6
179.07033	2.2
184.73663	1.1
187.03894	1.6
189.05582	1.3
191.03442	1.2
199.07420	1.3
224.04866	2.6
227.10796	1.9
238.06314	3.3
239.10936	1.6
241.08736	2.5
243.02991	1.3
251.07397	1.3
252.04285	1.5
253.08730	1.5
255.02913	1.6
255.10304	7.7
259.02399	2.0
266.05972	3.2
269.11893	2.1
270.12680	2.2
271.02515	4.5
282.08804	1.2
283.09793	39.2
284.10165	3.1
294.08951	1.9
295.09863	4.2
296.10477	3.9
297.11270	2.0
298.12146	4.8
299.02145	1.6
300.02698	2.7
301.03528	2.2
309.11163	1.8
310.08615	1.6
310.12119	3.1
311.09311	82.1
312.09543	6.9
316.02304	3.6
317.02960	2.0
325.10785	8.6
326.08716	1.6
326.11630	45.3
327.11920	5.0
341.13998	92.5
342.14246	9.4
359.15070	1.7
367.03030	2.7
447.09299	2.5
520.33484	5.1
521.09375	7.5
521.22479	2.1
521.31775	10.2
522.32227	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	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.3
58.00474	4.3
59.01265	91.7
60.01600	1.1
69.55310	4.6
69.55743	4.7
71.01267	73.8
72.01588	1.9
72.99206	7.6
73.02831	6.1
75.00766	1.9
81.03355	1.1
83.01274	4.2
85.02845	13.0
87.00757	3.9
88.77501	1.2
88.98693	2.3
89.02335	100.0
93.03356	35.8
95.01291	4.9
96.95901	1.7
99.04441	1.2
101.02347	39.3
108.02084	2.5
109.02854	2.8
113.02348	30.3
119.03413	30.6
119.04902	3.8
120.03762	2.4
121.02902	1.6
123.04391	1.8
125.02336	5.6
131.03416	4.1
133.02884	1.5
135.02884	3.5
135.04451	3.8
137.02377	52.4
139.00269	2.5
143.03433	5.8
145.02837	2.2
147.02902	1.3
149.04480	5.6
151.00302	4.7
151.03981	2.9
152.01006	1.9
161.04483	6.7
161.05795	1.8
163.03952	3.0
167.03450	1.4
178.99821	2.3
179.03416	2.6
179.05548	15.6
179.07033	2.2
184.73663	1.1
187.03894	1.6
189.05582	1.3
191.03442	1.2
199.07420	1.3
224.04866	2.6
227.10796	1.9
238.06314	3.3
239.10936	1.6
241.08736	2.5
243.02991	1.3
251.07397	1.3
252.04285	1.5
253.08730	1.5
255.02913	1.6
255.10304	7.7
259.02399	2.0
266.05972	3.2
269.11893	2.1
270.12680	2.2
271.02515	4.5
282.08804	1.2
283.09793	39.2
284.10165	3.1
294.08951	1.9
295.09863	4.2
296.10477	3.9
297.11270	2.0
298.12146	4.8
299.02145	1.6
300.02698	2.7
301.03528	2.2
309.11163	1.8
310.08615	1.6
310.12119	3.1
311.09311	82.1
312.09543	6.9
316.02304	3.6
317.02960	2.0
325.10785	8.6
326.08716	1.6
326.11630	45.3
327.11920	5.0
341.13998	92.5
342.14246	9.4
359.15070	1.7
367.03030	2.7
447.09299	2.5
520.33484	5.1
521.09375	7.5
521.22479	2.1
521.31775	10.2
522.32227	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	521.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95398	0.5
55.01771	0.7
57.03336	1.5
58.00473	2.5
59.01261	100.0
60.01607	0.8
61.98713	4.5
69.03351	1.1
70.98822	0.9
70.99146	0.7
71.01266	38.5
72.99187	7.9
73.02834	24.3
73.03249	1.2
74.03162	0.8
75.00764	1.6
80.25012	0.7
81.03352	0.5
83.01281	3.6
85.02839	13.9
86.00049	0.8
87.00770	9.5
87.04431	2.5
89.02332	31.6
91.85087	0.5
95.01331	1.3
97.02838	0.9
99.00790	1.8
99.04417	1.0
101.02341	53.4
102.02699	1.1
103.03910	17.9
109.02831	1.2
113.02348	8.1
115.03918	5.3
119.03421	14.1
123.04440	4.3
125.02345	2.8
127.03964	1.9
131.03429	9.1
134.03732	0.7
135.02904	2.8
135.04474	1.1
137.02370	1.2
143.03426	11.0
144.03714	0.8
145.05005	4.9
149.04515	1.4
153.05504	6.1
153.70863	0.6
161.04530	1.5
163.06061	73.4
164.06425	2.5
167.10759	1.2
174.03223	0.6
179.05540	3.6
188.04723	0.6
191.18546	0.7
201.05424	0.5
205.07140	23.6
265.09360	7.5
315.11011	0.6
315.18295	1.3
319.46857	0.7
325.11383	0.8
329.19617	0.6
337.14035	0.8
371.15192	2.0
385.13126	2.0
461.23984	23.4
462.24680	3.2
478.81931	0.6
520.33734	0.9
521.18994	1.0
521.33942	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	521.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00146	8.4
59.01268	24.5
61.98732	11.9
70.69801	18.0
70.70190	15.1
71.19123	8.0
78.95811	14.1
113.09644	9.6
134.50684	7.5
152.99510	14.8
156.04601	7.7
167.10683	8.4
280.50461	6.8
293.21310	53.2
382.53842	8.8
414.49481	8.2
521.24921	16.0
521.30927	100.0
522.31201	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	521.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.0
58.67762	0.4
59.01271	2.9
61.98714	0.5
69.03350	0.5
69.79470	2.4
69.91373	0.4
71.01261	1.0
78.95798	3.5
81.03353	0.5
83.04929	0.5
89.02327	0.6
95.04877	0.6
97.02834	0.5
97.06491	1.4
97.65074	0.4
98.19805	0.5
103.47323	0.4
109.06497	0.5
119.03335	0.5
123.04418	0.7
125.09653	1.1
135.08087	0.5
137.09663	0.8
151.11215	12.8
152.11581	0.7
152.99506	6.1
153.09152	1.1
153.99823	1.2
161.09653	0.5
163.11217	2.1
169.12289	84.0
170.12651	3.8
171.00574	0.5
171.10234	1.5
185.11781	2.6
189.61053	0.4
191.14394	2.9
195.10202	1.1
195.14288	0.5
197.11810	0.8
206.24104	0.5
207.10239	1.3
209.11841	1.5
213.11311	100.0
214.11664	5.0
225.11241	1.0
245.19127	5.1
289.14828	0.6
289.18155	21.3
290.18430	1.8
307.19202	28.0
308.19589	2.2
325.20206	3.7
341.25659	0.6
373.55841	0.5
434.23978	1.3
503.30173	0.9
521.31384	5.5
522.31653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03335	1.4
57.19576	0.1
58.00469	0.7
59.01263	13.7
60.99189	0.2
61.98713	2.1
66.17155	0.1
69.03326	0.3
71.01269	8.9
72.01570	0.3
72.99203	0.8
73.02833	2.3
75.00761	0.3
78.95777	0.3
79.95684	0.2
83.01280	1.4
83.04921	0.5
83.75670	0.2
85.02845	3.7
85.99952	0.2
87.00784	0.9
87.04422	0.4
89.02339	2.5
93.03377	0.3
95.01271	0.4
96.95902	0.2
97.02812	0.4
98.20599	0.2
99.00766	0.7
101.02340	5.2
107.29417	0.2
109.02853	0.4
110.42083	0.2
111.00790	0.5
113.02368	2.3
119.03429	0.9
119.04897	0.2
121.02850	0.3
123.04449	2.1
124.01510	0.2
125.02368	0.7
127.11113	0.2
129.01823	0.2
131.03421	0.5
132.02057	0.2
133.02870	0.2
134.03659	0.2
135.02908	0.4
135.04448	1.0
137.02364	0.6
137.09618	0.2
143.03438	0.2
149.02380	0.2
149.04494	1.3
149.05988	0.4
151.00330	0.2
152.01094	0.2
153.01839	0.3
153.05513	3.7
159.02939	0.2
159.04369	0.2
160.01581	0.6
161.02292	0.2
161.04500	0.3
163.03954	0.3
165.01897	0.3
167.50961	0.2
174.03227	0.3
175.03876	0.3
177.01933	0.5
178.02701	0.4
179.03491	0.3
185.11842	0.2
188.04749	0.3
205.05026	0.3
209.11737	0.2
211.13379	0.2
211.49667	0.2
295.22818	0.6
299.16464	0.3
309.15009	0.4
311.22537	0.3
311.26025	0.5
313.23938	2.7
314.24396	0.3
325.14786	0.3
327.16031	0.9
329.14114	0.2
341.22925	0.3
341.27032	6.2
342.27274	0.5
343.15579	0.8
345.17120	0.5
353.14014	0.2
357.26587	0.6
359.28091	23.6
360.28506	2.6
371.15094	3.4
372.15536	0.3
373.29184	0.3
401.29208	0.2
457.33386	0.2
459.34885	1.5
460.35150	0.3
461.24060	0.6
461.31400	0.4
503.32962	1.4
504.33118	0.2
521.33417	100.0
522.33771	14.2
522.42346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3497
Annotation	Lycernuic acid C
Peak:m/z	Relative Intensity
55.01768	4.5
57.03344	6.7
58.00485	1.9
59.01263	68.0
60.99192	11.0
61.98716	19.1
64.70078	1.1
65.03841	2.9
68.99684	1.5
69.03345	4.6
71.01270	70.3
71.04906	9.0
71.57929	2.2
72.99199	6.9
73.02832	22.9
75.00760	9.0
78.95811	2.2
81.03358	3.3
83.01291	8.4
83.04920	3.0
85.02842	26.6
85.06523	2.3
87.00779	5.3
88.98738	2.7
89.02337	42.3
93.03379	5.4
95.01283	9.7
96.95940	1.6
97.02853	8.5
97.06473	1.9
99.00774	6.8
99.04410	1.9
101.02348	46.9
101.03014	2.3
107.04953	4.4
108.02078	65.3
109.02876	52.5
109.06511	1.8
110.03208	1.4
111.00796	1.4
113.02361	23.8
115.03947	1.9
119.03405	9.0
119.04922	1.8
121.02875	24.8
121.10143	2.8
122.03168	1.4
123.00769	2.3
123.04453	6.6
125.02366	14.0
127.11263	1.4
129.01897	2.2
131.03444	5.7
135.02913	2.4
135.04460	5.4
137.02359	6.1
143.03407	6.9
149.04503	7.1
151.00415	1.8
151.03944	52.6
152.01096	76.1
152.04333	2.0
153.01881	31.5
153.05545	6.9
153.12801	13.1
159.02951	2.8
161.02409	2.0
161.04507	23.0
161.09671	4.3
163.03944	3.7
163.06061	1.9
167.10727	2.3
177.01877	7.6
179.03456	2.5
179.05637	10.1
179.10722	7.0
191.05711	2.4
197.11809	17.9
201.13185	1.9
201.14876	9.1
221.06667	2.6
223.13411	2.8
227.07191	6.4
233.06615	6.6
263.07849	2.9
273.07742	13.4
293.08734	6.9
315.07300	12.1
315.18137	2.5
323.10205	1.8
345.17160	1.9
359.28094	23.3
360.28534	1.9
371.15186	4.8
377.28552	5.7
393.31717	21.1
409.31601	2.2
411.33081	3.4
417.12564	1.6
425.30661	17.0
426.31085	2.5
427.32269	6.4
439.32416	2.1
441.33823	3.6
443.31778	2.3
448.21539	2.0
454.07654	1.7
457.33453	3.2
459.34885	81.7
460.35178	10.5
461.23901	5.2
477.17773	35.3
478.18353	5.5
491.15387	1.5
491.33823	19.3
492.34146	3.3
503.16226	5.5
503.34183	10.8
504.33908	2.1
521.16711	79.7
521.33984	100.0
522.16949	11.7
522.34332	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	523.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20925	0.9
57.03332	2.2
59.01260	15.5
61.98705	3.4
62.24604	0.7
62.50034	1.0
63.58102	0.8
69.61892	2.0
69.62283	6.4
71.01267	9.9
72.99176	2.7
73.02827	2.9
75.00761	20.0
83.01269	2.1
83.84756	1.0
85.02830	3.8
87.00764	1.1
88.98724	1.9
89.02333	9.3
93.03336	1.2
95.01249	1.2
96.95886	3.1
101.02333	6.3
103.03923	1.7
107.01285	1.1
109.02858	3.1
113.02354	2.7
117.01869	1.2
119.03426	1.6
119.04910	1.5
120.99545	1.2
121.02881	1.3
123.00810	1.5
123.04395	1.2
125.02318	3.5
126.46853	1.0
131.03416	1.8
134.03577	1.0
135.02916	33.4
135.04414	1.8
137.02371	2.0
145.06461	3.9
149.04448	1.7
151.00299	5.5
151.03983	1.3
152.01022	3.2
153.01910	4.5
158.03600	1.0
159.04501	1.1
161.02348	2.5
162.03133	1.2
163.03973	1.8
166.06332	1.9
171.04544	1.2
172.05241	17.6
173.06027	20.6
174.03227	1.5
174.06590	1.2
175.03986	1.7
178.99892	1.3
179.03470	1.4
179.05554	1.7
180.00372	1.1
181.08652	1.8
185.06076	2.0
185.40764	0.9
186.06755	0.9
187.03932	3.9
189.05566	1.6
193.05084	1.3
195.02933	1.0
196.05258	4.2
197.05931	1.1
199.03954	3.2
199.13359	1.3
200.04773	2.5
201.05489	1.1
204.04285	4.9
209.11829	12.5
212.04744	2.0
216.04135	1.4
217.05035	1.3
227.12868	2.8
250.06664	1.0
253.05099	1.3
253.09271	1.7
254.42033	1.1
278.53702	0.9
297.14975	3.4
299.16592	2.1
307.13458	5.2
314.06436	3.5
325.14490	47.6
326.14917	5.0
331.17691	1.7
340.33316	0.9
343.15567	24.4
344.15778	2.8
351.12128	1.0
361.18591	4.1
368.53156	2.0
369.13477	47.8
370.13766	3.8
387.14557	100.0
388.14905	10.9
443.17026	1.2
463.21942	5.2
505.17691	5.4
505.23999	1.4
523.27271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.4
61.98688	0.5
63.96124	0.8
65.76541	0.2
69.03350	0.7
70.43352	1.0
71.01264	5.7
72.99200	0.5
73.02840	2.0
78.98473	5.1
79.95623	7.2
80.96405	51.8
81.03348	0.9
83.01286	0.3
85.02830	1.8
87.00768	2.0
94.97983	12.8
95.01273	0.4
96.95905	0.7
97.02853	1.8
99.00797	0.6
101.02348	2.9
106.97992	2.5
109.02871	0.4
113.02349	0.5
122.97491	4.9
125.01692	0.3
125.02381	2.8
127.03909	0.5
134.97504	3.6
135.04417	0.7
136.99052	1.1
148.99074	5.2
152.98579	6.4
161.04469	0.4
164.98573	9.9
179.00166	0.4
182.99640	2.3
195.13841	0.4
206.99649	3.0
223.13416	2.4
224.13681	0.4
225.00729	17.9
226.01071	0.8
243.01791	2.1
299.04504	2.8
394.32022	0.4
439.16806	0.4
460.35538	0.6
474.02896	0.3
523.18634	100.0
524.18970	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	523.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45961	0.4
55.01755	0.8
57.03330	1.1
59.00997	0.6
59.01262	8.7
60.63297	0.4
61.98472	0.4
61.98716	4.5
63.96103	0.8
69.03336	1.2
69.32666	1.5
69.33089	3.2
71.01263	10.6
72.01593	0.4
72.99162	1.0
73.02837	2.8
75.00758	7.0
78.98476	4.6
79.95621	7.4
80.96406	42.9
81.03339	0.9
83.01280	1.6
83.08056	0.4
85.02844	6.6
87.00777	2.0
89.02331	3.3
93.03366	1.0
94.97974	10.1
95.01265	1.0
96.95909	1.2
97.02849	0.7
98.20527	0.7
99.00788	1.1
101.02340	5.5
106.97980	2.1
108.02075	17.6
109.02871	9.1
110.03219	0.5
111.00750	0.7
112.87173	0.4
113.02370	2.5
115.73116	0.4
119.03435	0.8
119.04961	0.5
121.02853	1.6
122.97475	2.0
123.00798	1.0
123.04401	1.2
124.01541	0.9
125.02368	5.3
126.02663	0.7
127.03880	0.6
134.03641	1.3
134.97496	3.7
135.02922	4.3
135.04449	3.9
136.99049	1.2
137.02362	1.5
148.99078	3.5
149.02341	0.5
149.06033	0.6
149.99553	0.9
151.03915	1.0
151.99933	0.8
152.01091	14.1
152.98593	3.9
153.01863	6.1
154.02304	0.5
159.02937	0.6
161.02357	0.5
163.03937	1.4
164.98564	8.7
167.00043	0.4
168.00592	1.4
178.02725	0.6
179.03398	3.6
181.12251	1.1
193.05026	0.5
206.99667	1.8
223.13353	1.3
225.00728	12.3
225.11295	0.6
233.06749	0.7
235.07207	0.5
253.09413	0.6
287.22256	1.1
293.08810	0.8
299.04395	2.1
317.17728	1.2
339.12177	0.4
343.15338	0.8
359.15012	0.6
361.29730	1.6
369.47546	0.4
387.14481	1.3
479.19058	1.6
505.17297	1.6
522.34216	1.0
523.18530	100.0
523.35010	15.3
524.18860	10.2
524.26270	0.7
524.35150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2194
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.05389	0.3
55.01773	1.8
57.03318	1.1
58.00462	0.9
59.01263	21.3
60.01588	0.4
60.99184	0.5
61.98684	0.7
67.29472	0.3
68.99683	0.3
70.90765	0.5
71.01267	19.8
72.99186	2.5
73.02514	0.3
73.02839	4.3
75.00748	1.4
83.01279	3.3
83.04897	0.5
85.02351	0.6
85.02841	8.2
85.99986	0.3
87.00774	1.8
87.01212	0.3
88.23410	0.3
88.98693	2.3
89.02334	8.5
93.03351	1.1
94.67082	0.3
95.01267	1.3
96.95895	1.3
97.02840	0.6
99.00769	1.9
101.02345	13.5
108.02077	2.0
109.02872	4.4
109.03589	0.4
111.00764	1.0
111.04424	0.5
113.01630	0.5
113.02351	5.8
119.03425	3.5
119.04943	0.6
121.02868	10.2
122.03649	9.5
123.04456	2.1
124.01565	1.3
125.02316	1.1
129.01863	0.4
129.03325	0.5
131.03407	1.4
134.03680	0.9
135.02916	1.9
135.04434	2.4
136.01588	0.4
136.05183	1.2
137.02338	2.5
143.03423	0.6
146.03699	0.4
147.02792	0.3
147.03239	0.4
147.04443	5.9
148.05159	0.7
149.02348	1.1
149.04489	0.9
149.05975	1.1
150.03119	1.2
151.03941	0.5
152.01122	0.7
153.01834	0.6
154.02637	1.5
159.02861	0.5
160.05119	0.4
161.04494	1.2
161.06010	2.8
162.06827	0.7
163.03943	0.8
164.04721	0.7
165.05522	22.1
166.05840	0.7
167.57451	0.3
170.74132	0.3
173.06078	0.7
174.06801	0.5
175.07585	0.8
176.24910	0.4
177.05449	0.5
178.06267	0.8
178.99890	0.3
179.05524	0.5
179.07077	6.9
189.05411	0.4
191.07074	1.2
193.05011	0.5
193.08669	0.5
195.06586	0.3
209.08214	0.7
209.11795	5.1
223.09747	1.1
227.12874	1.3
253.09370	1.1
281.11948	0.3
285.11511	0.4
289.38419	0.3
297.11319	0.3
298.12137	1.2
299.12881	0.6
299.16232	0.3
300.02783	0.6
301.10843	0.4
313.14572	2.2
315.12396	2.0
316.13074	0.6
325.14462	0.7
328.13156	2.1
329.13931	1.4
331.18076	2.1
343.15567	5.1
345.13132	0.4
346.14240	8.5
347.14963	2.9
361.16617	76.0
362.12518	0.6
362.16971	8.9
369.13708	0.4
387.14508	2.1
388.14719	0.4
433.07770	0.6
463.21835	3.0
475.19736	1.0
523.21942	100.0
524.22333	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	523.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87614	0.6
58.00466	0.6
59.01263	7.7
69.03330	1.3
70.90258	1.7
71.01267	2.7
72.99197	1.0
73.02835	3.5
73.21064	0.6
75.00767	0.9
85.02830	3.6
87.00761	0.8
89.02344	1.6
93.03336	3.6
95.01268	0.7
101.02393	1.1
108.02066	1.6
109.02837	0.9
118.15091	0.5
121.02869	5.1
122.03666	11.5
123.04469	0.8
132.02101	1.1
133.02872	15.4
133.03828	1.0
134.03683	1.6
135.02907	1.3
135.04459	2.6
136.01563	0.8
137.02382	1.4
145.02930	1.1
146.03667	0.8
147.04427	1.3
149.02376	37.0
149.06047	2.3
150.03163	92.4
151.03462	4.6
156.95265	0.5
161.02405	0.5
163.03932	0.9
164.04726	9.6
165.05516	100.0
166.06110	5.2
167.07079	2.0
177.02043	0.6
177.05521	1.0
179.05624	0.5
180.04242	7.2
181.08673	6.8
194.01102	0.5
195.06598	47.6
196.06952	1.7
197.63026	0.6
198.28793	0.6
205.08717	0.7
209.11749	1.0
283.09610	0.7
312.12219	1.1
313.13467	0.8
314.11551	3.3
315.12289	2.0
325.67215	0.6
327.14536	21.1
328.14886	1.7
329.13953	6.7
343.15646	1.2
387.14471	2.0
463.21606	1.3
475.19812	98.2
476.20166	14.1
505.20032	1.0
523.22058	4.2
524.22363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2197
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.90475	0.2
55.01755	0.4
57.03329	0.6
58.00496	0.3
59.01261	11.3
61.98705	1.3
69.57673	1.5
69.58087	0.6
71.01269	11.9
72.01604	0.4
72.99196	0.7
73.02834	3.0
75.00771	0.4
76.47940	0.2
81.03373	0.3
83.01278	0.5
85.02837	2.5
87.00760	0.4
89.02336	12.6
91.05489	0.3
93.03358	1.2
95.01283	0.7
96.95924	0.8
97.02888	0.3
98.19825	0.3
99.00780	4.4
99.04417	0.5
100.97164	0.3
101.02342	7.2
105.84010	0.3
108.02068	0.5
108.54002	0.3
109.02866	4.1
111.00790	0.4
111.04411	0.4
113.02345	3.5
115.03941	0.4
119.03387	1.9
119.04914	0.4
119.94774	0.3
121.02868	11.8
122.02837	0.5
122.03664	9.1
123.04482	1.5
124.01584	1.1
125.02347	1.4
129.01857	0.3
129.03392	0.5
131.03418	2.1
131.16492	0.3
134.03622	0.7
135.02934	0.5
135.04462	1.5
136.05209	0.7
137.02377	2.7
143.03415	0.4
146.03661	0.3
147.04443	4.8
148.05179	0.5
149.04495	7.4
149.05849	0.6
151.00288	1.2
151.03931	0.4
153.01862	0.4
154.02599	1.3
160.05167	0.3
161.04514	1.1
161.06026	1.4
162.06818	0.3
164.04765	0.4
165.05527	20.8
166.05864	1.1
178.06232	0.6
179.05611	0.5
179.07086	6.8
180.07387	0.3
191.05571	1.5
191.07138	0.6
193.08688	0.3
209.08215	0.6
220.98267	0.3
223.09772	1.0
233.04388	0.3
233.06622	0.6
251.07722	0.8
289.63657	0.3
298.12061	0.3
313.14435	0.9
315.12531	2.3
316.12918	0.6
331.15036	0.3
331.17972	0.4
346.14264	9.3
347.14581	0.9
349.51010	0.3
361.16641	100.0
362.16965	9.6
463.21936	20.8
464.22226	2.3
523.20911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.3
59.01262	37.9
61.98697	2.5
66.95984	1.0
71.00897	2.4
71.01270	37.0
71.57295	1.4
71.57706	1.3
72.99191	4.6
73.02834	11.1
74.85085	1.2
75.00771	3.1
81.03334	1.2
83.01250	5.6
85.02840	10.8
87.00780	1.7
88.64091	1.0
89.02335	38.7
95.01301	1.8
96.95905	2.3
97.02881	1.9
99.00777	12.0
101.02347	29.2
106.54452	1.2
109.02858	1.5
111.00792	1.3
113.02348	12.3
117.01821	1.7
119.03443	7.4
123.04430	1.6
125.02334	3.7
131.03445	5.5
134.03651	4.7
135.02902	5.1
135.04451	1.9
137.02380	2.1
137.09593	1.6
143.03450	2.1
149.04477	16.1
151.00298	1.4
151.03986	1.4
155.10655	8.4
159.02942	1.1
161.04471	5.5
175.39372	1.2
178.02592	1.5
179.03369	1.8
179.05653	2.2
191.05585	5.7
193.04956	3.9
199.09706	9.3
233.06685	1.4
251.07887	2.0
267.11188	1.7
282.09647	1.2
293.09149	1.7
311.10275	3.1
331.17795	5.4
347.12695	2.2
361.15186	1.3
433.15518	2.5
463.21942	100.0
464.22195	9.7
491.13135	3.5
523.18262	2.3
523.27100	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01260	3.7
59.41686	0.6
65.37255	0.7
71.50190	1.2
78.95792	25.5
96.95917	0.8
96.96870	1.7
102.94243	0.6
113.09618	2.7
123.21659	0.5
150.98004	0.8
152.99525	36.1
153.99847	0.7
168.54970	0.6
171.00574	3.0
195.13889	20.9
196.14220	1.3
225.24292	0.7
227.03267	4.3
245.04382	1.5
263.85934	0.6
270.89130	0.6
277.21771	16.0
278.22040	1.9
295.22839	69.5
296.23129	5.5
431.21982	1.5
463.22186	0.8
485.32852	1.8
487.34402	4.2
523.26868	100.0
524.27185	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	523.2842
Annotation	Ripromycin
Peak:m/z	Relative Intensity
50.12988	6.3
52.25351	6.0
57.13808	6.3
59.01247	27.4
61.98712	7.0
70.73765	12.2
70.74137	13.6
71.01244	6.7
79.95611	13.8
80.96417	10.8
82.81987	6.4
91.55868	5.6
96.95924	14.8
117.61936	5.9
125.02370	7.3
153.48126	5.8
166.88760	6.5
183.34232	6.5
487.30786	37.9
523.28107	100.0
524.28601	20.3
547.84479	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	523.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15609	4.5
71.07436	13.8
77.44573	5.6
140.61122	4.4
280.07782	4.5
474.17346	5.0
487.34442	100.0
488.34460	15.2
497.07242	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	523.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30531	1.7
62.99264	1.7
76.14003	1.8
82.81316	2.2
87.14487	1.7
98.19764	5.5
100.08680	1.9
123.33959	2.1
152.80745	1.7
229.71010	2.7
249.04172	1.9
459.30847	2.0
487.34366	100.0
488.34738	17.2
530.16528	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	523.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19660	4.3
61.98692	5.8
68.80898	4.9
70.82098	11.6
75.09668	4.1
171.10226	5.8
173.54791	4.0
274.08704	4.0
369.25418	4.8
523.32080	100.0
524.32391	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	524.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.6
59.01265	4.0
61.98714	100.0
70.99210	0.7
71.01269	2.3
72.99195	0.9
73.02841	0.4
73.98100	0.3
75.00758	2.0
82.11041	0.3
83.01271	0.7
85.02843	0.6
88.98704	1.7
89.02348	1.2
93.03333	1.9
96.95925	0.8
101.02321	1.7
109.02858	0.6
113.02374	0.7
117.01886	0.4
119.03426	0.4
119.04955	1.0
123.04455	0.4
124.01573	0.4
125.02360	1.1
127.96594	0.3
134.03665	0.7
135.02913	5.7
135.04482	0.7
137.02377	2.7
151.00351	0.3
151.03885	0.5
152.01186	0.5
153.01736	0.3
159.04510	0.6
161.02335	0.5
161.04437	0.4
163.03989	0.3
164.04736	0.4
173.06050	0.4
173.86446	0.3
176.04681	0.4
177.72495	0.3
185.05913	0.3
186.06908	0.4
187.03986	1.7
193.05032	0.4
199.03860	0.6
202.06337	0.7
211.13472	0.6
215.03728	0.3
227.03514	0.5
242.02156	0.5
243.03006	4.5
243.12349	0.8
254.60806	0.3
255.03102	0.4
256.87790	0.3
257.04581	1.0
270.01666	0.6
271.02518	4.9
272.02957	0.4
273.14935	1.9
277.74435	0.3
283.13455	2.3
285.04102	2.1
286.04742	1.0
291.16147	0.9
299.01941	2.3
300.02908	1.7
301.14566	1.3
309.14948	0.4
314.04367	8.7
315.05066	4.5
315.08441	0.4
320.69711	0.3
327.16040	1.9
345.17062	4.1
361.29547	0.6
363.18073	2.0
371.14969	2.5
388.14847	0.5
389.16019	1.6
407.17221	1.2
461.10965	16.6
462.11288	1.7
507.18817	1.0
523.35229	3.2
524.19885	0.9
524.35522	1.7
525.19849	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	524.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.1
58.01749	0.3
59.01260	6.0
59.21191	0.3
61.98719	1.8
69.32076	0.5
69.32402	3.8
71.01261	5.3
72.99212	0.6
73.02828	1.2
73.67192	0.4
75.00762	1.7
78.95762	0.4
80.04935	0.6
80.93132	0.4
83.01266	1.0
85.02841	2.6
89.02331	3.0
93.03358	1.2
94.06526	2.9
99.00775	0.4
101.02325	3.1
104.04919	0.5
106.06532	1.2
107.03677	3.7
108.02078	0.8
109.02869	0.6
113.02354	1.5
119.03435	0.7
119.04934	3.8
120.06773	0.4
121.02894	0.6
122.06035	22.6
124.06824	0.4
124.07591	2.1
125.02381	0.9
125.05946	0.5
132.04486	3.2
134.03697	0.6
134.06044	5.3
135.02888	3.4
135.04410	0.7
137.02373	2.0
139.02654	0.9
143.07137	0.5
146.06061	0.4
148.04028	0.4
149.04811	0.5
150.05516	1.1
152.01082	0.5
152.07108	46.7
153.07478	1.5
155.10735	0.7
157.06529	0.6
158.02415	1.0
159.02957	0.5
160.04008	2.3
161.04576	1.0
162.05513	1.2
163.03969	2.5
172.04022	0.7
174.05511	0.5
176.03500	1.8
176.07083	0.5
179.03394	0.5
187.03894	0.6
190.05051	4.3
192.06587	0.5
196.11247	0.5
200.01140	0.8
202.04993	0.5
211.12311	0.9
212.05785	0.4
212.10829	0.5
215.11890	2.1
215.16556	0.3
216.12399	0.4
223.08794	2.4
224.09396	2.1
225.10226	0.5
226.07455	0.8
227.08205	1.1
228.96886	0.4
237.10315	0.5
238.11124	0.7
239.04518	0.7
239.08316	0.7
239.11916	9.1
240.10272	1.2
240.12428	0.6
241.09760	1.5
251.11890	1.5
252.10399	0.4
253.06183	2.3
253.09766	1.0
254.07079	0.5
255.07816	1.2
255.11496	2.1
265.09799	1.2
266.07047	0.5
267.07874	2.5
267.11469	1.4
268.08539	2.0
273.14963	0.6
279.07706	1.1
279.11044	0.5
280.08591	2.9
281.09302	1.2
281.12726	0.4
282.10013	0.6
283.10919	28.0
284.11163	2.3
287.10605	1.0
291.16104	0.4
293.09299	0.7
295.10934	10.3
296.11349	1.5
299.10303	0.6
299.16461	0.5
301.14313	0.6
307.10919	0.8
309.08871	0.9
309.12115	0.7
312.11227	1.2
313.11786	0.8
315.13507	2.2
321.08817	0.4
323.10526	0.7
327.10089	0.6
327.13226	0.8
327.16605	0.7
327.21887	0.6
339.09695	0.6
341.11377	2.1
345.17007	3.2
353.14017	0.4
355.13110	0.9
361.29678	2.5
362.29883	0.7
363.18256	0.5
371.15445	1.8
389.16147	0.8
402.18542	0.7
404.19919	0.7
407.17313	0.8
420.19415	3.3
421.19693	0.5
430.17862	0.9
446.17404	1.0
448.18860	7.0
449.19366	0.9
464.18179	1.0
465.12122	0.6
474.16556	0.9
480.21286	1.2
492.17880	13.4
493.18188	1.7
496.21063	2.0
506.19351	1.4
507.19006	0.9
523.34961	7.3
524.20453	100.0
524.35242	5.7
525.20660	16.4
525.28717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67236	0.6
57.03315	0.8
59.01259	7.1
61.98701	1.3
63.48152	0.6
71.01272	4.5
71.57758	1.1
72.15580	0.5
72.99185	2.6
73.02837	3.1
75.00760	25.0
78.86056	0.5
85.02848	1.1
87.00790	1.4
88.98667	0.7
89.02342	5.9
93.03339	0.6
94.92808	0.5
95.01244	0.6
98.20033	0.6
99.00795	1.0
101.02355	1.6
108.02071	3.1
109.02853	7.9
113.02361	1.1
117.01849	2.8
121.02855	2.2
122.03646	2.0
123.04470	0.9
125.02351	1.1
133.02890	3.3
134.03665	11.8
135.02916	100.0
136.03271	1.9
137.02370	38.1
138.02715	1.1
146.03668	2.1
148.05272	0.7
149.04509	1.7
151.00150	0.6
151.03932	2.6
152.01118	0.7
159.04424	4.3
161.02359	0.7
172.05186	1.1
173.06090	1.2
174.03188	2.1
174.06779	4.0
175.03894	0.7
176.04736	1.3
178.02643	1.8
179.03482	1.0
183.13818	0.7
187.03983	11.3
187.07568	2.3
188.04764	2.7
197.06122	6.2
197.15451	0.9
198.06845	3.1
201.05539	1.1
202.06351	2.8
207.13908	1.0
211.07681	0.9
211.11487	0.9
211.13387	13.2
225.14977	10.0
235.13509	1.0
260.03741	0.6
269.13983	12.6
270.14603	0.9
271.17206	0.9
273.18781	1.1
281.15466	1.5
283.13470	1.9
283.16980	1.5
287.16647	0.7
299.16574	20.3
300.16904	1.7
301.14673	0.8
303.05264	0.7
309.15024	20.7
310.15472	1.7
317.17621	13.9
318.17957	1.6
319.15610	1.0
325.14752	0.8
327.16080	47.6
328.16425	5.6
343.15649	0.8
345.17123	43.3
346.17419	4.6
353.14066	0.9
359.70425	0.7
363.18155	6.3
370.40637	0.7
371.15082	12.4
372.15527	1.3
377.15982	0.8
387.16684	12.7
388.16922	0.8
389.16119	3.7
395.99457	0.7
407.17181	10.4
408.17572	1.0
432.15750	0.9
494.15778	1.1
495.19614	0.7
507.19049	4.0
508.17670	2.4
524.35016	1.7
525.19757	8.6
525.27008	1.0
525.35608	2.2
526.19330	2.7
526.27643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.3
61.98708	4.7
67.38219	1.2
71.01264	8.2
72.99182	5.3
73.02827	3.5
75.00759	32.4
78.95761	1.4
79.95605	1.4
80.96399	3.3
81.03359	1.5
82.95992	5.8
85.02831	2.9
87.00774	3.3
88.98718	2.0
89.02317	6.8
93.03366	2.2
93.29456	1.2
94.98004	1.2
96.95911	1.6
97.02824	1.4
99.00771	1.9
101.02335	2.0
108.02081	8.2
109.02857	30.5
110.03179	1.2
117.01848	4.2
119.04921	1.7
121.02874	7.8
122.03614	2.9
123.04420	2.8
125.02333	3.3
133.02876	14.4
134.03673	47.3
135.02919	100.0
135.04488	6.3
136.01591	2.8
136.03264	1.5
137.02379	46.5
138.02760	1.3
139.03925	1.9
146.03654	3.4
148.05197	1.7
151.03958	15.0
152.04593	2.4
158.03613	1.3
159.04462	6.4
160.05229	1.9
161.06039	2.2
162.03174	1.6
163.03960	2.8
172.05232	2.2
173.06018	2.8
174.03168	4.5
174.06853	6.8
176.04752	4.0
177.01892	2.9
178.02666	9.3
179.03444	2.6
183.13911	3.2
187.01352	1.4
187.03963	18.5
187.07555	3.8
188.04698	4.3
189.05319	1.4
195.03009	3.1
197.06073	7.4
197.15450	2.6
198.06790	4.8
200.04831	1.3
201.05525	2.8
202.06279	6.5
207.13818	1.8
211.07758	1.6
211.13385	61.9
212.13751	3.2
214.21423	1.2
224.42220	1.2
225.14957	37.8
226.15411	1.8
227.00275	2.0
235.13339	2.2
257.15564	2.6
269.14014	24.6
281.15320	2.1
283.13504	3.4
283.17084	3.4
284.05423	1.7
287.16513	1.4
287.99200	1.4
299.16605	27.6
300.16898	3.2
301.14432	2.9
309.15002	31.9
310.15314	3.3
314.06534	1.2
316.02310	1.4
317.17654	12.8
319.15512	2.3
327.16080	71.8
328.16476	8.4
345.17123	98.6
346.17490	10.8
353.14130	5.1
363.18158	7.0
363.24033	1.3
371.15109	30.5
372.15439	2.1
377.16028	3.1
387.16666	23.4
388.16882	1.4
389.16141	4.3
407.17160	25.1
408.17487	1.9
463.09412	2.0
489.18185	2.0
495.18820	2.7
507.18777	14.7
508.19040	1.4
524.35162	2.6
525.19641	52.6
525.35388	5.3
526.20142	7.9
526.27057	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	525.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	27.3
61.98724	10.3
69.03342	4.2
71.01286	4.7
71.38502	4.3
72.66312	2.6
73.02859	2.9
75.00781	6.2
83.04976	2.6
85.02864	3.7
97.06498	3.2
98.27222	1.9
101.02367	4.4
101.11112	2.0
111.08157	3.1
135.02911	14.9
137.02425	2.6
179.10826	6.6
197.11787	16.9
209.11810	13.9
225.11415	3.5
289.18268	6.2
291.19720	3.4
292.14969	2.7
308.48276	2.4
309.20932	4.3
325.14435	2.5
421.54074	2.5
463.09219	3.2
525.30121	100.0
526.30243	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	526.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
60.86163	0.6
61.98714	6.4
65.00211	0.8
69.27943	5.2
69.28350	1.6
83.01287	0.8
98.19773	1.2
107.01284	2.6
108.02074	0.8
109.02905	1.3
115.74195	0.6
125.02376	0.7
127.24545	0.6
135.00797	0.9
137.02484	0.8
148.01602	1.1
151.00305	9.1
163.00284	2.6
174.25404	0.6
176.56099	0.7
178.09099	0.7
178.99779	4.2
183.29887	0.7
199.04008	0.7
209.11835	1.0
227.03464	1.8
243.03011	5.3
245.04579	1.5
254.02286	1.8
255.03009	16.0
255.05495	1.3
256.03458	1.5
271.02536	35.5
272.02908	4.0
300.02805	71.4
301.03534	35.2
302.03970	2.2
316.02350	2.4
352.49179	0.7
452.20691	1.2
463.08932	100.0
464.09189	10.5
527.17914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.5
61.98714	1.9
65.00195	0.4
71.01254	0.5
80.96404	0.9
83.01283	0.5
87.59783	0.4
93.28410	0.4
94.40105	0.4
94.72510	0.4
103.47179	0.4
107.01281	1.6
109.02842	1.4
116.09790	0.4
122.00945	0.4
123.00767	1.1
124.01586	1.7
125.02361	1.1
136.01549	0.7
137.02371	2.4
139.00294	0.5
148.88982	0.4
151.00317	7.0
152.01059	0.7
156.46132	0.4
158.99326	0.4
161.02336	0.5
163.00290	1.3
164.01074	1.2
165.01782	0.5
166.99803	0.4
169.01358	0.8
175.03923	0.6
177.01764	0.4
178.99815	6.6
192.00533	0.5
193.01492	0.6
194.99356	0.6
202.77388	0.4
203.03433	0.7
204.04166	0.5
214.02701	5.3
215.03392	0.8
217.01154	0.4
219.02989	0.6
227.03470	0.6
229.57350	0.5
242.02188	4.3
243.03001	2.1
246.97874	0.4
247.02388	0.9
259.02457	4.5
269.74982	0.4
270.01767	4.9
271.02518	29.9
272.02887	2.7
287.02014	18.4
288.02478	1.9
296.74887	0.4
316.02295	75.5
317.02951	18.4
318.03503	0.9
361.12646	0.4
463.08914	100.0
464.09189	12.8
527.17682	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	527.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78214	0.9
57.03312	1.8
59.01270	13.6
59.34407	0.9
61.98716	100.0
62.98414	1.4
64.32377	1.1
65.00197	1.1
65.99735	2.8
68.48732	1.0
71.01263	12.0
71.55816	1.3
72.51289	1.1
72.99205	1.5
73.02840	4.8
74.31487	1.0
75.00754	1.8
78.95784	2.2
80.73056	1.1
80.96398	6.5
83.01286	2.5
85.02849	5.1
87.00779	2.1
89.02334	2.8
90.98488	3.8
93.00866	1.1
96.95908	3.0
101.02328	7.7
108.02088	3.8
109.02849	1.9
113.02302	2.4
123.00739	1.2
123.04440	2.8
125.02353	4.6
130.78548	1.6
135.02905	2.2
135.04478	1.6
137.02374	2.5
139.54732	1.0
149.04501	2.6
151.00304	5.4
152.01117	6.6
153.01872	1.6
161.04562	2.2
162.03185	2.2
162.05605	1.1
163.03928	1.5
167.03465	9.1
177.01840	1.4
177.05521	2.5
178.99841	3.2
179.03448	2.9
192.04251	1.0
195.01222	2.4
204.06662	1.3
210.03638	2.3
225.00783	1.9
225.05931	9.5
237.05804	1.4
271.02496	1.5
296.37946	1.1
297.12439	5.1
300.02972	1.2
301.03296	1.6
315.01321	1.2
316.02167	1.3
321.19269	7.2
341.11246	1.8
359.15173	1.8
367.02856	3.8
373.14267	1.4
434.16949	1.2
464.09317	3.6
467.25134	14.1
491.19281	4.6
496.16837	2.5
527.10114	1.7
527.17792	14.4
528.19788	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97045	0.2
57.03333	0.3
59.01266	1.9
61.98717	1.6
63.96137	1.0
65.00188	0.2
69.03345	0.8
71.01270	6.5
72.99176	0.2
73.02837	1.8
75.00758	0.3
78.98478	5.1
79.95625	8.7
79.96095	0.5
80.96409	56.6
81.03352	0.7
83.01272	0.6
83.04904	0.3
85.02846	2.8
87.00774	2.3
89.02347	0.3
94.97982	14.0
95.01261	0.6
95.08763	0.2
96.90195	0.2
96.95917	1.0
97.02844	1.6
99.00797	0.7
99.04387	0.3
100.13245	0.2
101.02345	3.1
106.97988	2.5
107.01334	0.3
107.68648	0.2
109.02869	0.2
113.02380	0.4
118.78350	0.2
120.99575	0.7
121.02908	0.2
122.97495	5.2
125.02377	4.1
127.03936	0.6
129.01883	0.2
134.97499	4.7
135.04433	0.2
136.99077	1.3
137.02388	0.2
143.03497	0.2
146.97542	0.4
148.99092	5.9
151.00258	0.9
152.01093	0.3
152.98570	7.1
163.11182	0.2
164.98584	11.3
167.00159	0.4
177.30876	0.2
178.99989	0.4
182.99640	2.4
193.01518	0.2
206.99670	3.1
209.11842	3.4
225.00739	19.0
226.01125	0.6
227.12921	0.2
243.01784	2.3
285.03918	0.3
299.04416	3.2
300.02661	0.3
317.05655	0.6
373.05811	0.4
447.09189	0.5
454.08325	0.8
454.58224	0.3
462.94571	0.3
465.10654	0.6
527.18146	100.0
528.18469	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.2
57.03325	0.2
58.00500	0.2
59.01259	4.5
61.98707	0.3
69.03336	0.1
70.53224	0.1
70.53581	0.3
71.01265	3.7
72.12662	0.1
72.99199	0.2
73.02836	0.6
78.48267	0.1
80.02588	0.2
83.01279	0.3
83.04935	0.1
85.02835	0.8
87.00778	0.5
89.02335	3.3
95.01268	0.2
95.04910	0.2
97.02855	0.1
97.06465	0.7
99.00785	0.2
99.04430	0.1
101.02343	3.7
109.06488	0.1
113.02354	1.8
113.06004	0.2
116.55486	0.1
119.03422	0.8
119.04887	0.1
125.02364	0.3
125.05993	0.4
127.11256	0.2
133.04956	0.1
135.03015	0.1
137.02339	0.1
141.09171	0.2
143.03432	0.3
148.08894	0.6
150.10420	0.7
151.11209	0.4
161.04485	1.4
163.11237	0.7
165.01903	0.1
165.12790	14.1
166.13152	0.6
175.11235	0.4
176.11960	0.2
177.12775	0.3
179.05545	0.6
191.14368	0.4
202.09947	0.2
211.13374	0.1
217.00266	0.1
217.15953	0.4
219.10376	0.1
235.08163	0.3
245.18970	0.1
247.20680	8.2
248.21028	0.6
251.56116	0.1
253.09302	16.0
254.09598	0.8
255.17412	0.1
273.18634	4.2
274.19000	0.3
291.19696	100.0
292.20029	8.9
292.24850	0.1
369.12048	0.1
408.09827	0.1
527.22717	0.4
527.29987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
58.00488	0.3
59.01266	6.8
61.98706	0.4
69.03326	0.2
70.63716	0.2
70.64075	0.6
71.01267	3.5
72.46024	0.2
72.62291	0.2
73.02836	0.7
81.10088	0.2
83.01257	0.5
83.04909	0.5
85.02832	0.7
87.00792	0.2
89.02339	3.0
95.01297	0.3
95.04938	0.5
99.00795	0.2
101.02351	3.3
103.03890	0.2
109.06509	0.2
111.08068	8.2
112.08408	0.3
113.02364	2.0
113.09624	0.6
119.03391	1.0
125.02364	0.2
137.09639	0.5
143.03459	0.4
149.09631	0.4
151.11110	0.2
155.10619	0.3
161.04474	0.9
167.10718	1.5
169.12213	0.2
172.23738	0.2
177.12807	1.5
179.05553	0.4
179.10741	1.7
183.13905	0.2
195.13881	5.2
195.15581	0.4
196.14296	0.4
203.14415	0.5
223.53372	0.2
235.08099	0.5
247.20665	2.0
253.09325	15.6
254.09695	0.7
263.20279	0.2
273.18622	1.2
291.19717	100.0
292.20056	9.0
357.97260	0.2
464.77078	0.2
527.28741	4.0
528.29279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14087	0.3
53.48188	0.3
55.01747	0.9
57.03337	3.2
58.00456	0.5
59.01263	33.3
67.01767	0.5
68.99693	0.7
69.03334	1.1
69.43657	1.8
69.44092	1.3
71.01268	19.6
72.99188	5.5
73.02834	1.4
75.00763	16.1
83.01268	1.1
85.02841	22.3
86.03171	0.5
87.00762	7.7
89.02328	4.9
91.03889	0.5
92.95799	0.4
95.00726	0.4
95.01291	5.8
98.20514	0.8
99.00165	0.7
99.00776	10.0
101.02339	0.6
102.34269	0.4
103.00291	2.8
111.00777	1.0
113.02354	30.9
114.02704	0.7
115.00262	1.7
117.01832	2.7
125.98337	0.4
129.01875	2.1
131.03413	0.9
139.00285	0.7
152.99487	0.5
153.54984	0.3
157.01357	0.8
175.02444	3.7
193.03342	0.8
205.07144	2.8
223.08287	0.9
231.05151	0.9
233.22740	0.8
249.06177	6.9
259.20496	0.5
267.07291	7.6
275.20029	0.4
277.21768	51.5
278.22144	4.9
467.26434	1.0
509.27509	2.3
510.27563	0.5
527.28705	100.0
528.29041	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	527.3004
Annotation	Milbemectin
Peak:m/z	Relative Intensity
51.02640	13.8
55.75821	15.7
57.50131	18.6
59.01273	27.2
69.20000	17.4
74.62056	16.1
78.95749	19.0
80.96423	29.0
98.19748	34.9
110.04503	19.3
122.24682	16.0
181.70363	18.4
185.47543	19.3
235.09421	42.4
272.17899	17.6
307.77545	17.9
319.69287	20.7
439.32437	56.3
469.33365	20.0
497.27737	26.3
527.29199	100.0
528.29187	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.5
57.03344	1.4
59.01263	100.0
60.01601	1.0
67.01781	0.3
68.99707	0.4
69.03349	0.4
71.01269	9.0
72.99197	2.9
73.02840	0.7
75.00764	9.1
77.66578	0.3
78.30909	0.3
83.01314	0.3
83.04942	0.3
85.02840	10.1
87.00772	3.5
89.02325	2.3
95.01302	2.9
98.17517	0.3
99.00788	4.7
103.00292	1.1
113.02352	14.3
115.00297	1.2
117.01841	1.5
129.01878	0.9
131.03441	0.4
140.38263	0.3
152.99527	0.5
157.01405	0.9
175.02446	1.5
176.02977	0.4
193.03503	0.4
205.07234	0.8
229.64166	0.4
231.05162	0.5
234.85947	0.4
249.06152	3.6
267.07266	3.7
277.21768	23.2
278.22043	2.3
409.83600	0.3
509.27704	1.3
527.28687	46.1
528.28937	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	529.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
67.21693	0.1
68.89082	0.1
69.38924	0.3
69.39333	1.2
71.01266	0.3
77.35897	0.1
78.95768	0.3
79.95618	2.0
89.02343	0.2
96.95910	100.0
97.95844	0.4
98.19793	0.3
100.84365	0.1
101.54542	0.1
113.02354	0.2
125.02455	0.1
167.10930	0.1
227.03506	0.3
255.02975	0.9
284.03265	0.8
285.04056	0.8
376.59290	0.2
390.67133	0.1
406.45276	0.2
431.09827	1.5
432.10471	0.3
472.58936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.21
Annotation	Gomisin D
Peak:m/z	Relative Intensity
57.03337	11.3
59.01263	27.6
61.98728	7.1
65.00213	1.6
69.03346	1.6
70.13964	2.0
70.14356	2.8
71.01273	14.9
72.99210	2.5
73.02834	5.8
75.00776	2.1
81.03355	3.5
83.01275	11.5
83.04920	2.0
85.02840	12.0
87.00774	1.5
89.02335	16.9
93.03343	2.7
95.01301	2.2
95.04946	1.5
96.95913	2.8
97.02845	2.6
99.00777	4.6
99.04426	1.4
101.02337	10.1
106.58453	1.1
107.01319	1.2
107.04908	1.6
108.02093	1.5
109.02856	4.1
113.02331	4.3
113.05965	1.0
116.89612	1.1
117.05476	2.0
119.03513	2.2
119.04939	15.3
121.02881	3.8
121.06488	2.2
122.03634	7.2
123.00873	1.2
123.04398	5.3
124.01573	2.8
125.02371	54.7
126.02705	2.3
131.03395	3.1
133.02869	3.0
135.02907	2.6
135.04459	9.0
137.02379	35.3
138.03139	2.3
139.03891	2.4
145.02867	1.6
146.03598	1.6
147.03065	1.0
147.04382	1.7
148.05252	1.1
149.02367	4.6
149.04504	8.0
149.05960	5.6
149.09653	1.6
150.03171	3.6
151.00345	6.5
151.03934	2.6
152.01051	1.9
159.04492	2.4
159.11632	1.3
160.05249	1.2
161.02383	4.6
161.04539	2.4
161.05936	1.6
161.09688	1.7
162.03146	3.8
163.03938	14.5
164.01096	9.2
164.04648	3.0
165.01881	29.6
166.02246	1.4
167.03433	4.5
169.01390	1.3
172.05237	1.6
173.06000	1.5
174.03201	2.6
175.03969	3.5
176.04845	1.4
177.01927	3.0
177.05524	6.2
178.99841	6.3
179.03452	11.1
179.10730	2.5
187.03944	1.4
187.07693	1.4
188.04782	2.3
189.02007	1.4
191.01952	3.1
191.03545	1.4
191.05478	1.9
191.07126	1.3
197.06085	1.7
199.03946	2.0
201.05559	2.2
202.06340	2.2
203.03490	2.2
203.07190	1.5
203.10664	1.3
204.04230	4.4
205.05019	2.3
209.02995	2.6
209.11716	2.0
213.05612	2.2
214.43457	1.1
215.07114	1.4
221.06635	1.4
223.09885	1.4
227.03473	2.6
228.04221	3.2
229.04933	1.3
229.08649	1.3
231.06636	1.8
233.11696	1.5
242.05862	1.2
255.03169	1.8
257.08371	1.2
257.15628	1.7
271.09943	1.9
271.13254	2.5
283.13461	4.9
285.15167	1.2
287.16681	1.8
288.03668	1.2
288.06433	6.8
289.06888	1.3
289.14508	2.1
292.80191	1.3
299.09256	2.0
300.02969	1.4
301.14526	1.6
303.16071	3.0
311.12863	1.5
313.07074	1.3
313.14487	4.0
317.13901	1.6
317.17419	1.4
327.16037	1.7
331.15628	1.9
345.17386	2.9
349.16953	2.3
353.13910	2.6
359.14908	1.3
363.18289	1.8
365.06760	2.0
367.15320	2.3
371.14850	7.0
372.15671	1.3
382.07080	1.4
383.07681	6.4
391.17712	11.8
393.13220	1.4
403.17596	3.5
411.13934	5.7
425.19595	1.2
445.19040	1.8
447.09296	1.8
453.19174	2.2
456.14386	1.7
485.22501	7.2
485.29391	2.3
497.18414	18.1
498.18698	2.6
511.19644	1.9
529.14545	5.4
529.20972	100.0
529.27954	10.5
529.67023	2.4
530.21259	14.5
530.28699	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	529.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19106	0.5
59.01261	22.4
61.98704	2.2
71.01264	7.2
72.99195	0.9
73.02831	1.4
75.00762	0.7
78.95802	1.3
85.02837	2.0
85.08052	0.6
87.00754	1.3
89.02332	5.6
95.01297	0.6
98.20584	1.2
99.76928	0.6
101.02349	9.0
105.75172	0.6
113.02350	3.8
119.03394	1.9
121.10138	8.2
152.99486	1.1
161.04475	3.4
171.08755	1.3
171.10216	25.6
172.10605	1.1
179.05524	1.0
185.11891	0.7
193.38968	0.6
195.13878	6.0
211.13377	0.7
223.13396	4.2
231.21210	1.0
235.17014	1.5
253.09315	35.1
254.09682	2.0
275.20200	28.5
276.20508	3.0
293.21271	100.0
294.21625	10.9
421.27536	1.3
469.29678	2.0
471.37674	0.6
529.35571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03532	0.1
55.01771	0.2
55.19696	0.1
57.03337	0.3
58.00488	0.3
59.01262	8.1
61.53579	0.1
61.98722	0.6
65.11027	0.1
65.62298	0.1
69.03335	0.3
69.54788	0.4
69.55212	0.3
71.01268	5.7
71.04896	0.1
72.45367	0.1
72.99194	0.4
73.02834	0.9
83.01265	0.5
83.04912	0.1
83.87378	0.1
85.02841	1.2
85.84706	0.1
87.00759	0.9
89.02335	5.6
91.03864	0.2
95.01286	0.5
95.04945	0.2
97.02844	0.2
97.06529	0.1
97.88876	0.1
99.00786	0.2
101.02345	6.3
102.86959	0.1
107.03522	0.1
109.06492	0.1
111.08055	0.3
113.02348	2.6
113.09634	0.4
114.02655	0.1
119.03409	1.7
125.02366	0.2
125.09626	0.1
131.03413	0.3
141.09125	0.1
143.03436	0.8
149.04489	0.2
152.99477	0.2
161.04494	3.3
167.10661	0.4
177.12836	0.3
177.16428	0.2
179.05557	1.3
179.10759	0.2
179.14388	1.0
181.12268	0.2
195.13875	9.2
196.14490	0.9
205.12267	0.7
205.15912	0.4
211.13365	0.6
223.13388	6.3
224.13756	0.5
228.13722	0.7
231.21217	0.5
235.08202	0.3
239.13075	0.1
249.18684	0.1
249.22279	0.2
253.09315	31.0
254.09689	1.6
256.13193	1.2
257.13464	0.1
265.21808	0.4
275.20206	5.6
276.20541	0.6
291.19965	0.1
293.21280	100.0
294.21609	9.5
352.07278	0.1
421.27390	0.1
492.22198	0.8
493.22510	0.2
529.29205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3031
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03331	2.0
59.00998	1.4
59.01262	20.2
64.99006	0.7
67.01772	1.1
70.18044	3.4
70.87108	0.8
71.00909	1.0
71.01268	18.1
72.99198	5.0
73.02842	1.5
75.00763	17.2
77.26198	0.9
78.95798	1.0
80.96401	1.3
83.01276	1.1
83.96864	0.9
85.02843	21.1
85.10832	0.8
87.00765	7.6
87.92906	0.8
89.02348	4.1
95.01302	4.9
99.00788	7.6
101.02363	0.9
103.00259	3.5
112.01535	1.2
113.02354	29.7
114.02690	1.0
115.00280	2.3
117.01853	2.8
123.37170	0.9
129.01837	1.2
152.99541	1.4
157.01418	0.9
175.02405	4.2
205.07150	1.7
223.08211	1.7
249.06200	6.3
250.06607	0.9
255.23293	1.8
267.07199	6.1
279.23337	62.3
280.23712	5.4
318.17520	0.9
398.13754	0.9
511.29617	1.5
529.30267	100.0
530.30566	14.9
542.48053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3181
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
59.01265	3.0
60.99186	2.0
61.98699	0.4
69.03336	0.4
69.05488	0.3
69.41669	0.3
71.01277	0.4
71.57852	0.4
75.00763	0.8
83.04903	0.6
96.95885	0.2
97.44822	0.3
109.06490	0.5
111.00766	0.3
125.24131	0.2
175.06419	0.2
180.60487	0.3
207.10315	0.5
211.13321	0.7
237.48729	0.3
253.09326	0.6
267.21365	0.4
293.21332	2.0
309.26001	0.4
319.20679	0.6
334.19366	0.3
335.23920	0.8
349.21722	1.0
363.27127	0.4
375.26941	0.5
377.28571	1.1
379.22833	0.3
379.30005	0.4
391.30365	1.3
403.26648	0.3
405.28149	1.2
409.31165	1.1
410.31119	0.4
421.27332	0.5
422.78003	0.3
423.29153	2.7
435.28934	1.2
437.30713	2.7
438.30856	0.5
455.24646	0.4
481.29962	0.3
483.31284	0.8
511.30844	0.5
529.31805	100.0
530.32159	16.1
530.40460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25268	0.1
52.96305	0.1
59.01262	100.0
60.01597	0.8
67.71866	0.1
71.12634	0.2
79.54617	0.2
85.73604	0.1
86.83168	0.1
215.70537	0.1
217.10623	0.1
529.35986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61086	0.6
59.01265	13.4
61.98701	0.8
68.81292	0.7
70.35929	0.8
71.58276	0.9
71.58643	1.0
78.95795	17.6
80.96388	0.7
84.77192	0.7
86.96877	0.7
96.95900	1.1
108.78763	0.7
111.07598	0.7
116.27974	0.7
122.67354	0.7
132.69720	0.8
138.81546	0.7
150.69095	0.8
152.99530	7.2
157.21686	0.8
168.04289	2.6
178.95839	0.8
224.06964	8.2
242.08087	1.8
255.23331	100.0
256.23639	8.5
463.21503	0.8
471.35260	1.9
480.31067	73.8
481.31378	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	531.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30596	0.7
52.39362	0.8
54.19106	0.9
54.39280	0.7
54.93806	0.8
57.03336	3.3
58.00481	1.0
59.01263	27.3
61.98718	2.5
63.02281	4.0
64.30373	0.9
65.00205	8.8
65.03855	0.8
68.99677	0.8
69.03326	1.5
69.57111	5.3
71.01271	22.1
72.99200	1.3
73.02840	6.5
76.05347	0.8
76.17335	0.8
81.03358	1.6
83.01278	9.3
85.02843	5.6
87.00798	1.5
89.02341	25.8
93.03366	2.3
95.01317	3.0
95.04960	2.1
96.95931	1.7
97.02894	1.1
98.20527	1.9
99.00779	9.1
101.02344	17.4
107.01310	13.3
107.04955	2.3
108.02133	1.1
109.02859	4.8
111.04476	1.2
112.17749	0.8
113.02365	6.8
119.03428	3.9
119.04913	3.9
121.02892	1.4
123.00869	1.0
123.04488	1.7
124.01595	5.3
125.02370	25.5
125.03255	1.6
131.03435	5.6
133.02913	1.5
135.00842	0.9
135.02924	1.0
135.04480	1.8
137.02391	12.2
139.00330	1.0
143.03436	1.2
143.05022	1.6
145.02847	1.2
146.03661	1.8
147.04485	1.1
149.02486	1.7
149.04518	15.4
149.05766	0.9
151.00314	50.3
151.03944	23.2
152.01102	10.5
152.04358	0.9
153.01888	2.3
158.03700	1.1
159.04498	2.1
159.08121	1.0
160.05225	1.0
161.02431	2.1
161.04546	5.9
161.05789	1.2
163.00308	1.3
163.03979	4.6
164.01111	2.8
165.01923	5.5
165.56857	0.8
167.03468	2.2
169.01393	6.4
170.03703	0.9
171.04483	1.5
172.05234	1.7
173.02370	1.0
173.05995	1.6
174.03214	2.2
174.06871	0.9
175.04007	3.0
176.04755	1.9
177.01936	3.5
178.99818	36.9
179.03416	7.8
179.05627	1.7
185.02515	1.5
185.06000	1.3
186.03227	1.1
186.07101	0.8
187.03918	1.5
187.07649	3.8
188.04730	1.3
189.01930	1.8
189.05455	2.0
190.02678	1.8
191.05620	3.2
191.07175	3.4
192.00583	1.6
193.01370	8.4
197.06165	1.1
198.03267	1.6
199.04054	4.4
200.04790	1.0
201.01970	1.8
201.39041	0.9
202.02689	0.9
203.03522	5.3
203.07047	1.2
204.04285	2.3
205.01375	1.8
205.05028	1.3
205.08713	2.8
207.03075	3.9
212.04799	1.1
213.05504	1.6
214.02759	3.2
215.03581	3.9
215.07117	12.4
216.07648	1.3
217.01529	2.0
217.05060	1.2
219.03062	2.2
221.06454	0.9
223.13353	1.1
224.04965	1.2
225.05582	1.9
226.02748	1.0
227.03503	3.1
227.07121	1.1
227.10658	0.9
229.01517	1.8
230.02383	1.4
231.03075	2.9
232.03654	1.8
233.00902	1.3
233.04601	2.3
239.07243	0.9
240.04292	1.4
240.07704	1.0
241.01198	0.9
241.05165	3.2
242.02197	6.2
243.03006	13.1
244.03609	1.7
245.00957	4.3
247.02599	2.6
251.07672	2.7
253.05057	4.3
254.02296	1.4
255.03084	2.1
256.03860	1.9
257.04630	1.6
259.02509	7.8
260.03741	0.8
261.04218	3.1
265.05069	1.6
268.03894	1.6
269.04703	2.3
269.07959	1.0
270.01855	2.0
270.05322	1.0
271.02551	1.9
271.13562	2.5
272.03293	1.7
280.04037	0.9
281.04752	1.7
281.08331	1.8
283.02881	1.1
283.06366	1.7
283.09662	0.9
283.13684	1.1
285.11630	1.2
286.04871	1.1
287.02032	11.1
288.02802	5.1
289.07404	1.5
293.04993	1.2
293.08423	2.3
294.05499	2.3
295.06265	1.2
295.09882	3.4
297.04089	1.2
297.14709	1.0
298.01300	3.1
298.04697	1.3
299.09494	1.1
301.14572	2.0
309.04227	1.5
310.04913	1.0
311.06073	1.1
311.09253	4.1
312.09943	1.7
313.03650	3.1
313.07559	1.3
313.11029	5.9
315.01569	8.2
316.02362	4.9
321.07660	1.9
323.09290	8.0
324.03027	1.6
325.03653	1.1
327.08762	4.1
337.03723	1.6
337.07419	2.0
338.08112	4.3
339.08817	29.3
340.09241	5.3
341.03165	1.2
341.06708	3.3
341.10486	14.9
342.11017	1.7
343.15430	1.1
349.07156	6.8
355.04587	1.9
355.08286	11.6
355.15353	1.1
356.09018	3.0
357.09827	2.0
366.07559	2.0
367.08292	100.0
368.08649	12.2
369.09558	1.9
369.13657	11.5
369.19296	3.0
370.13898	1.3
384.08752	2.1
385.09354	17.3
386.09940	2.0
437.19794	1.6
451.18289	0.9
462.08234	3.7
481.18985	3.5
485.14658	8.8
486.15491	1.4
499.20096	5.0
513.14319	3.1
513.21570	3.2
531.15448	45.9
531.23785	12.7
531.29883	6.2
532.15625	9.0
532.23071	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	531.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64913	0.9
55.80014	0.9
56.66537	1.0
57.03334	4.1
59.01268	28.1
61.98726	4.8
63.02293	5.8
65.00208	9.1
67.37082	0.9
69.03336	1.7
71.01270	10.1
71.57167	1.5
71.57538	1.0
71.61382	0.9
72.99193	1.7
73.02833	3.9
73.30286	0.9
73.59869	0.8
75.00758	1.9
80.10682	0.8
81.03357	2.7
82.95305	1.6
83.01273	13.4
83.04884	1.0
85.02848	4.7
87.00766	1.5
89.02341	13.3
93.03352	2.1
95.01280	2.4
95.04928	1.9
96.95911	4.2
97.02853	3.0
99.00765	2.8
99.04426	1.5
101.02364	8.1
107.01297	17.0
109.02868	4.1
111.00786	1.6
113.02360	3.8
119.03415	2.8
119.04934	7.0
121.02855	2.9
121.06477	1.0
122.03595	1.6
123.00774	1.9
123.04446	2.3
123.08064	1.0
124.01595	9.6
125.02376	38.4
126.02690	1.9
131.03436	2.9
133.02824	0.9
133.04572	0.9
133.10175	1.1
134.03638	0.9
135.00835	1.3
135.02901	1.5
135.04449	4.6
136.01512	1.2
137.02390	17.2
139.00304	1.5
139.03966	1.0
139.19267	1.0
144.82082	1.1
146.03668	2.0
149.02388	2.8
149.04480	5.6
149.05971	1.4
150.03191	1.2
151.00320	59.5
151.03972	4.7
152.01103	25.1
153.01799	1.6
157.04967	1.4
159.04478	2.5
161.02438	2.3
161.04486	1.8
161.06029	2.1
161.09669	5.7
163.00310	1.3
163.03989	7.1
164.01086	9.5
165.01907	5.6
165.05530	1.4
167.03458	2.8
169.01421	8.0
169.06526	1.2
172.05312	1.8
173.05986	1.3
174.03172	2.3
175.03957	2.3
176.01041	1.3
176.04736	1.3
177.01868	3.1
177.09172	1.2
178.99831	50.8
179.03430	20.3
180.00114	2.3
180.99652	1.7
185.06073	1.1
185.09665	1.0
187.04037	1.2
187.07664	1.4
188.04770	1.4
189.01816	1.7
189.05386	1.1
190.02647	1.3
191.03534	1.7
191.05579	2.4
192.00645	1.3
193.01411	5.7
193.05023	1.4
195.04584	1.2
197.06110	1.9
198.06827	0.9
199.03951	1.1
200.04756	1.2
201.05595	1.9
203.03470	3.2
203.07198	2.1
204.04225	2.2
205.05052	1.2
205.08696	1.8
209.06013	1.1
211.04091	1.7
211.07712	1.9
212.04733	1.5
213.05508	2.1
215.03508	1.6
219.03004	4.5
225.05510	2.1
226.06158	1.3
227.03493	3.9
227.10890	1.6
228.04085	1.5
229.05115	3.2
231.02980	1.2
233.04518	1.4
237.05571	1.1
238.06477	1.0
239.03642	1.1
241.05090	4.8
241.12346	1.2
242.02046	1.2
243.03029	1.4
243.06656	1.2
245.04712	1.8
245.08238	1.6
251.07367	1.0
251.10699	1.6
252.04305	1.2
253.05046	2.2
253.08896	1.3
254.05853	1.4
255.03078	2.6
255.06555	1.2
255.10272	1.2
256.03781	3.5
257.04584	2.1
259.02545	4.3
265.05002	1.9
267.06558	1.3
267.10315	1.6
269.04596	7.5
269.07190	0.9
269.11877	2.6
270.05307	1.2
271.02588	1.8
271.13452	1.6
279.06732	1.7
281.04654	1.9
281.08142	1.2
283.03152	1.2
283.06219	5.2
283.10138	2.1
283.13620	2.7
284.03363	4.2
285.04041	4.2
285.11365	7.7
289.07272	3.0
293.08115	1.2
294.05524	1.3
295.09839	19.0
297.04092	1.6
297.11423	2.8
298.04868	4.2
299.05908	1.0
299.09372	1.4
299.12915	1.1
301.14511	5.7
307.06168	1.5
309.04245	1.6
309.07794	6.8
311.05685	4.7
311.09409	4.5
312.10104	3.1
313.03632	4.2
313.07208	1.7
313.10889	26.6
314.04202	1.9
314.11252	3.2
317.13983	1.4
323.09280	19.0
324.09756	1.8
325.07263	3.1
326.04364	2.6
327.05261	2.0
327.08850	6.0
328.09256	1.2
337.03638	2.2
337.07263	4.1
338.07803	1.4
339.08731	5.6
340.09628	8.6
341.10376	100.0
342.10718	10.4
353.06796	2.0
355.04376	2.1
355.08328	17.1
355.12302	1.9
356.08920	4.9
357.09872	1.3
366.07584	3.5
367.08304	23.5
368.08835	3.3
384.08594	3.0
385.09308	16.9
386.09695	2.0
437.19696	1.9
469.29645	1.1
481.18939	4.0
487.16098	3.3
487.30963	3.1
499.19745	5.4
513.14136	5.1
513.21625	4.7
531.15259	79.7
531.22290	7.1
531.29144	15.3
532.15503	11.0
532.29279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
58.00498	0.4
59.01266	18.1
61.98716	4.5
65.00199	0.8
69.03345	0.6
70.28088	0.4
71.01264	6.8
71.56297	0.7
72.99195	1.2
73.02827	2.0
75.00768	0.8
79.95625	1.7
81.03322	0.5
82.95305	1.1
83.01273	1.4
83.04914	0.6
85.02836	2.8
87.00785	0.6
87.04421	1.0
89.02314	3.2
89.05964	1.0
94.13042	0.5
95.01268	1.5
96.95910	51.2
99.00795	1.0
99.04379	0.9
101.02358	3.8
107.01299	1.1
109.02859	2.4
111.00780	0.8
113.02345	2.0
115.03954	0.5
119.03372	1.5
119.04960	4.1
121.02889	2.5
123.00822	1.0
123.04443	1.1
124.01550	2.1
125.02368	7.4
131.03421	0.6
135.02917	0.7
135.04442	1.4
137.02379	2.2
147.04373	0.8
151.00316	7.5
151.03922	1.4
152.01109	5.0
153.01875	1.0
161.02386	2.0
161.04501	1.5
163.00293	0.5
163.03934	4.4
164.01097	1.1
165.01884	1.7
169.01436	0.6
173.04514	0.6
175.03954	1.5
176.01140	0.9
177.01874	0.8
178.02771	0.5
178.99823	4.6
179.03473	0.6
179.05571	0.5
187.03960	0.9
189.01878	0.9
191.03491	1.5
192.00641	1.7
193.01372	0.9
203.03345	0.8
205.01538	0.5
211.03993	15.4
212.04521	1.2
213.05511	0.6
215.03424	0.9
217.01485	0.5
219.03043	0.7
220.34795	0.5
227.03519	0.5
231.03009	0.6
237.07700	2.0
239.01060	0.9
239.03502	15.9
239.07214	0.7
240.04222	2.9
241.05116	3.1
243.02872	1.3
245.04378	0.6
251.11438	3.3
256.03839	0.6
257.04559	0.5
258.01675	0.5
267.10272	0.7
268.03845	10.4
269.04584	16.9
270.04929	1.2
271.06174	1.8
279.02972	1.6
283.06165	3.3
283.09274	0.7
284.03238	0.7
285.07687	0.9
285.11264	0.7
289.07263	1.7
295.02448	1.0
295.09775	0.7
297.03995	1.1
297.07462	1.0
300.02676	0.6
311.05801	1.2
311.09299	3.3
312.02823	0.6
312.10040	4.6
313.07306	0.9
313.10602	2.5
339.08633	2.8
341.06702	2.9
355.08337	0.7
367.08316	1.5
381.11819	2.3
384.08591	21.7
385.09177	8.0
399.13043	1.5
399.24008	0.9
451.28067	0.8
469.29605	1.6
471.25723	0.6
487.31036	3.1
531.15161	100.0
531.28149	11.5
532.15558	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	531.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01265	10.9
61.98722	2.9
62.95724	0.4
71.01268	4.7
71.04928	0.4
71.57619	0.5
72.99197	0.4
73.02827	1.4
73.21533	0.3
82.95312	0.5
83.01278	0.5
83.04932	0.6
85.02833	1.7
89.02329	3.4
93.03358	0.9
96.95933	0.5
99.00786	0.9
101.02351	3.1
107.13751	0.3
108.02082	0.4
109.02879	0.5
111.00827	0.8
113.02340	1.7
119.04942	100.0
120.05256	3.4
123.04418	0.6
125.02354	1.7
131.03433	0.8
132.13629	0.3
135.04398	0.6
137.02370	1.5
149.04485	1.5
150.03241	0.4
151.00317	1.0
151.03917	0.8
153.01891	1.1
159.04390	0.5
161.02403	0.4
161.04485	1.1
161.09656	0.6
163.03952	83.3
164.04291	3.4
165.01871	0.6
166.54497	0.3
167.03456	0.8
171.10287	0.6
178.99701	0.4
179.03430	0.5
179.10742	0.8
181.55150	0.3
191.05533	0.4
191.86894	0.3
209.11728	0.5
211.13312	0.4
223.09799	0.4
225.11418	0.4
243.02962	0.4
271.02612	0.5
273.15021	0.4
287.01785	0.4
303.21906	0.8
315.01526	1.2
316.02463	0.6
325.09341	0.8
367.08435	0.6
367.13962	0.7
368.09052	1.2
371.27863	0.4
399.23959	0.8
462.08188	1.1
469.29700	0.6
471.30719	0.7
483.27618	1.5
487.19519	1.1
487.30869	0.9
495.58344	0.4
499.19833	0.5
501.27942	0.3
513.17938	0.4
531.16669	1.3
531.30139	10.7
532.29803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31265	0.6
55.01770	1.1
57.03336	2.4
58.00487	2.2
59.01265	100.0
60.01595	0.9
61.98721	3.1
65.00201	0.8
69.03342	7.4
69.49158	5.2
71.01270	53.5
71.04926	0.8
72.01596	0.8
72.99198	7.1
73.02836	20.0
75.00763	0.7
81.03352	3.9
82.95309	1.0
83.01279	3.9
83.04928	1.0
85.02846	21.2
87.00784	3.2
87.04437	1.2
89.02340	32.6
92.14558	0.6
95.01302	2.7
96.95927	1.2
97.02851	8.6
98.20527	1.3
99.00793	3.0
99.04420	2.0
101.02348	40.5
102.02653	1.6
103.03913	34.4
107.01300	0.8
109.02903	1.0
113.02351	5.4
115.03986	1.0
119.03423	16.9
119.04932	2.4
121.02877	1.3
124.01596	1.1
125.02368	39.7
126.02732	1.0
127.03954	3.2
129.01849	0.9
135.04453	1.0
137.02414	0.8
143.03445	4.1
145.05008	6.9
148.05243	35.4
149.04475	0.7
149.05606	1.6
151.00293	3.1
152.01091	1.7
161.02464	0.7
161.04517	2.4
163.03909	2.4
163.06075	35.8
163.07585	14.4
164.06433	0.6
165.09488	0.6
177.01801	0.7
178.99799	2.3
179.05649	0.8
185.00996	0.7
187.06114	0.7
191.01949	1.2
193.01204	0.8
197.45099	0.6
205.07198	2.5
211.03995	5.2
221.06566	0.7
231.02663	0.7
239.03513	5.9
240.04234	1.4
241.04999	0.9
247.08264	9.9
268.03894	3.8
269.04559	6.4
283.06207	1.3
285.11224	0.8
289.09302	1.6
307.10419	31.1
308.10727	1.8
312.09976	0.9
323.09879	0.9
339.08725	1.0
340.23611	0.7
341.06702	0.8
367.08310	0.7
380.14401	0.7
384.08578	8.2
385.09222	3.4
421.27771	0.6
469.29568	0.7
471.26093	1.8
487.30920	1.7
488.31335	0.8
531.15131	34.3
531.28857	5.0
532.15393	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	531.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.4
57.03341	12.9
58.00470	2.2
59.01265	52.0
59.13785	1.7
61.98717	9.2
67.01751	1.7
69.03342	5.2
71.01270	23.7
71.04898	2.3
71.48104	1.8
72.99195	3.0
73.02837	10.0
75.00761	3.0
81.03358	4.3
83.01275	14.9
83.04883	2.4
84.02063	1.7
85.02847	11.4
85.63035	1.5
87.00777	3.2
89.02341	21.2
93.03345	9.6
95.01287	4.6
95.04919	5.2
96.95947	3.1
97.02873	8.6
97.06483	2.4
99.00777	5.8
99.04420	5.1
101.02348	14.6
107.01299	6.7
107.04899	2.5
108.02076	1.6
109.02868	9.7
111.00782	3.8
111.16592	1.5
113.02349	10.1
113.06019	1.8
116.95926	1.7
119.03421	3.5
119.04176	2.7
119.04943	28.0
120.05284	2.1
121.02847	5.3
122.03640	4.3
123.00755	2.1
123.04407	6.4
124.01577	6.2
125.02369	100.0
126.02665	2.7
131.03430	4.5
133.02832	1.7
135.04442	14.9
137.02383	76.0
138.02902	2.8
139.00275	4.6
139.03944	4.9
146.03699	14.3
147.04436	3.9
148.05162	2.5
149.02371	4.7
149.04482	5.6
149.06081	2.8
150.03197	4.5
151.00301	18.0
151.03964	9.9
152.01120	8.0
153.01907	3.1
159.03185	1.9
159.04430	8.5
160.05220	3.9
161.02448	3.1
161.04478	5.8
161.05939	3.6
163.03963	28.1
164.01109	20.2
164.04330	2.4
165.01891	31.1
167.03453	15.6
169.01357	5.9
171.10118	1.7
172.05226	5.2
173.06003	4.1
174.03180	7.4
174.06798	2.6
175.03908	5.8
175.42262	1.6
176.04761	9.6
177.01900	3.6
178.99893	22.7
179.03459	56.4
179.05708	2.3
180.03822	2.6
181.05008	2.8
185.05984	4.5
187.03946	7.5
187.07533	2.1
188.04721	7.3
189.05536	5.1
190.06160	1.7
191.05609	2.4
197.06003	1.8
199.07620	6.6
200.04744	5.4
201.05516	7.3
203.07054	3.1
204.04288	13.1
204.41859	1.9
205.04942	5.0
205.08496	1.6
209.11768	2.6
211.03925	2.0
211.13390	2.8
212.04716	6.3
213.05521	4.0
219.17554	2.6
225.05498	4.5
226.06305	2.9
227.07047	3.1
231.06604	5.0
244.07512	4.1
245.11777	2.6
251.07173	2.3
252.07782	1.8
255.13995	2.0
268.07574	3.7
269.08261	2.3
271.13437	18.5
283.13452	18.2
285.15005	2.2
287.12811	2.6
288.06619	4.1
289.14462	10.9
294.08942	4.4
295.13263	2.5
299.12875	5.4
301.14539	19.8
303.12653	1.9
307.13626	2.2
313.14514	6.3
315.01788	1.8
315.16156	3.6
316.13290	1.9
317.13882	8.8
319.15475	2.7
325.14468	5.7
327.16022	1.7
331.15558	2.0
335.16452	3.8
337.14450	2.9
343.15466	5.1
353.17542	2.7
355.15588	5.0
356.89587	1.7
367.08368	4.0
373.16754	1.9
379.19736	1.8
385.09259	5.3
393.19391	4.0
395.18851	3.6
399.23923	4.0
419.18854	2.8
420.19452	1.8
421.27383	5.2
437.19952	10.3
437.25244	1.9
439.28644	4.3
455.21484	3.0
457.29926	2.3
469.29846	3.8
481.12579	2.2
481.18900	25.2
482.18906	4.7
487.30768	24.9
488.30887	3.0
499.19794	35.7
500.20029	6.1
501.28458	5.5
513.21637	33.6
514.22131	3.6
531.15063	28.3
531.22455	79.4
531.29486	49.8
532.15503	3.4
532.22815	10.7
532.28540	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	531.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07363	1.1
57.03336	82.1
59.01263	88.9
61.98706	2.0
62.13496	1.4
69.03335	3.0
71.00900	1.8
71.01272	28.9
71.56121	1.3
72.99182	2.9
73.02824	11.0
75.00769	2.4
81.03352	1.3
83.01271	3.9
85.02840	16.6
87.00774	2.2
88.98678	1.7
89.02353	8.1
95.01269	1.8
96.95909	44.4
97.02837	1.6
97.06486	1.3
99.00755	3.4
99.04417	100.0
100.04752	2.3
101.01704	2.2
101.02340	34.6
103.03900	11.1
106.63969	1.0
111.00811	1.2
113.02348	10.4
119.03385	4.0
119.04939	1.7
123.04441	2.3
124.01585	1.2
125.02365	39.5
126.02732	1.7
129.01859	1.7
135.02957	2.4
137.02386	1.8
137.09579	2.2
143.03474	6.6
143.07091	1.6
147.02919	2.7
149.04491	2.6
149.95113	1.2
151.00290	1.2
161.04509	15.1
163.03944	1.3
169.01350	2.1
173.00781	1.8
173.09676	1.6
179.03407	1.4
179.05583	3.1
185.00790	1.6
189.12814	15.1
190.13052	1.5
191.01866	2.3
191.05536	1.3
203.05551	8.3
207.13902	12.0
225.14944	3.5
243.08751	1.8
303.19604	1.2
380.46149	1.1
387.19955	1.4
403.26462	1.6
421.27640	3.0
429.21298	6.1
463.21976	1.6
487.25192	1.9
531.08057	1.7
531.17041	2.7
531.23602	24.8
531.31152	3.9
532.24121	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	531.2815
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01770	4.3
57.03335	4.5
58.00478	2.3
59.01263	52.9
60.01602	0.4
60.79813	0.3
61.98718	1.9
68.99728	0.6
69.03347	2.2
69.61509	1.8
69.61939	0.9
71.01266	68.4
71.04900	2.7
72.01591	0.8
72.99191	3.4
73.02832	24.8
74.03158	0.4
75.00751	2.1
78.08410	0.3
81.03355	1.1
83.01278	9.4
83.04903	0.3
85.02842	24.7
85.99989	0.5
87.00758	3.6
89.02335	53.6
90.02674	0.6
94.95326	0.3
95.01281	4.0
97.02844	4.0
99.00777	21.5
99.04408	0.6
100.01075	0.4
101.02344	46.2
102.02706	1.1
109.02872	0.6
111.00808	1.9
113.02354	21.1
114.02764	0.4
115.03895	2.5
119.03421	9.1
119.04828	0.6
123.04422	0.3
125.02357	6.8
129.01891	1.2
131.03423	9.9
135.04440	0.6
139.00368	0.4
141.01997	0.3
143.03416	3.0
146.54205	0.3
149.04495	28.3
150.04823	0.8
151.03934	0.7
159.02934	2.5
161.04486	10.3
163.03940	0.6
179.05566	3.1
191.05582	7.7
205.03503	0.5
215.05559	0.4
221.06645	1.4
233.06715	3.2
234.06839	0.5
239.82719	0.3
251.07668	2.0
280.34949	0.3
293.08899	3.0
303.21875	0.5
309.25800	0.7
339.18182	0.5
353.24908	3.8
354.25208	0.5
373.24103	1.7
381.22964	1.4
381.27414	0.4
389.75098	0.4
399.23947	27.3
400.24255	3.5
407.29678	0.5
417.22925	1.2
425.26712	0.6
427.28641	7.4
428.28943	0.8
455.28448	0.5
470.02924	0.4
471.27692	0.6
487.31094	2.0
488.30719	0.4
513.27142	0.4
531.28296	100.0
532.28619	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	531.3337
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
52.10965	0.3
55.31821	0.2
59.00995	0.3
59.01264	4.3
71.14610	0.5
72.00255	0.2
80.13094	0.2
111.57468	0.2
113.55929	0.2
123.17664	0.3
158.28152	0.3
201.02759	0.2
295.22836	0.4
357.69489	0.2
377.28836	0.4
483.31372	0.6
513.32098	0.7
531.33337	100.0
532.33685	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	531.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48474	0.3
59.01264	47.1
60.01596	0.6
60.99183	0.9
61.98696	0.9
69.40932	3.1
75.00771	0.4
78.29589	0.4
78.95803	0.6
123.08086	0.5
130.80377	0.4
133.58005	0.3
151.11273	0.5
163.11172	0.3
179.29976	0.4
189.12692	0.5
196.28474	0.4
241.60202	0.4
307.22632	0.4
321.22330	0.7
353.24530	0.6
369.28104	0.6
371.26010	3.5
371.32910	0.4
372.26071	0.5
377.28531	4.6
378.28909	0.7
383.96234	0.4
393.31851	1.9
395.29959	0.5
411.32587	0.5
437.30734	0.8
439.28552	1.1
455.31808	0.9
469.33447	3.6
470.33932	0.8
471.31055	0.7
472.31287	0.4
485.32718	0.5
487.34406	0.9
513.32306	1.0
521.93585	0.4
531.33405	100.0
532.33716	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73690	0.6
57.03317	2.3
59.01267	9.6
60.75484	0.7
65.03828	0.9
69.03349	3.2
70.08043	2.5
71.01244	1.3
71.04903	1.7
72.47696	0.6
78.95806	1.1
80.02565	1.0
80.96406	1.4
81.03340	1.4
83.04894	1.8
95.04933	2.9
96.95923	5.7
97.02830	2.5
97.06506	1.6
98.19869	0.9
99.04404	0.7
106.04145	1.2
109.06483	2.1
109.42818	0.6
111.08021	0.6
112.05167	0.8
112.90678	0.7
114.60986	0.6
121.06474	0.9
123.04462	3.1
123.05196	0.6
123.08073	1.8
125.05964	0.8
125.09642	7.1
126.09980	0.7
127.07572	1.0
130.06415	0.6
135.02917	1.8
135.04411	0.6
135.08087	3.1
137.05972	1.1
137.09634	3.6
141.05490	4.1
141.09140	1.8
141.12720	1.8
145.87872	0.7
149.09630	1.8
152.99469	0.7
153.09143	8.6
161.09631	0.7
162.10327	0.8
163.07462	0.7
163.11211	6.8
165.09161	1.0
165.12852	1.1
167.10754	3.1
168.24303	0.6
171.10231	13.7
172.10394	0.6
177.12756	1.8
178.09988	0.9
179.10677	2.2
179.14388	2.3
181.12331	2.2
185.11804	8.9
191.14381	9.6
193.12398	0.8
195.13873	7.2
197.11794	1.7
205.12344	6.9
207.10251	3.7
209.11819	5.9
211.13449	1.2
215.14429	0.7
217.15881	1.2
219.14005	0.6
223.13400	47.5
224.13730	3.5
225.11305	3.6
243.17467	1.3
245.19124	23.1
246.19453	1.6
255.12093	0.8
263.20090	0.9
271.17120	1.6
289.18158	95.0
290.18484	8.4
297.20694	0.8
307.19211	100.0
308.19580	8.6
325.20255	30.6
326.20642	2.8
341.21255	1.3
359.22192	1.1
388.43564	0.8
450.22507	0.9
495.31128	3.0
513.32214	4.8
531.33490	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	531.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01598	0.9
61.98736	0.8
65.82262	0.5
69.28025	5.3
75.00761	0.6
78.95778	1.0
80.96423	0.9
86.41405	0.4
94.97957	0.6
101.07395	0.5
119.52701	0.5
135.02972	1.0
145.99498	0.4
196.77931	0.6
250.64619	0.5
307.26523	0.6
385.73767	0.6
411.48038	0.5
471.35233	2.5
472.22662	0.6
472.35580	0.7
531.31073	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	533.3131
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
52.90469	0.4
56.70266	0.4
59.01263	38.5
61.98719	3.4
62.54836	0.4
64.01824	0.4
67.72065	0.4
71.01257	1.2
71.04902	1.5
71.56516	0.6
73.02819	0.8
75.00744	0.8
78.95772	0.8
80.09698	0.4
81.09240	0.4
83.04926	0.9
85.02850	0.6
89.02327	0.5
96.95872	0.6
119.04928	0.4
125.02367	0.5
135.02884	1.1
135.04442	0.6
137.02449	0.5
152.99538	0.9
209.11966	0.5
365.24911	0.4
367.30142	0.5
379.26416	0.7
415.32361	0.5
421.27582	0.7
425.27106	1.9
427.32590	0.8
439.28549	9.2
440.28967	1.3
441.30225	6.1
442.30405	0.9
455.27753	0.7
457.29855	2.5
459.31213	6.3
460.31760	1.1
471.31265	21.2
472.31476	3.1
473.28308	2.0
485.29169	1.2
489.32208	1.7
503.30243	16.4
504.30786	3.2
505.31772	0.4
515.30377	0.8
533.31354	100.0
534.31738	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3133
Annotation	Ganoderic acid L
Peak:m/z	Relative Intensity
55.01759	0.4
57.03337	7.7
59.01264	21.9
60.01607	0.6
60.99186	1.4
61.98727	1.9
65.03825	0.4
69.03342	0.4
71.01270	7.2
71.04896	0.6
72.01605	0.6
72.99196	2.5
73.02824	2.3
75.00757	1.2
78.95788	0.6
83.01251	0.9
85.02845	3.0
88.98693	1.1
89.02330	4.4
90.02699	0.4
93.03368	0.8
96.95923	4.4
98.20570	0.9
99.00788	0.9
99.04419	5.6
101.02361	5.6
107.04941	1.4
109.02860	1.2
113.02359	2.6
119.03407	1.1
125.02364	3.0
131.03462	1.2
135.00832	0.4
135.02959	2.0
135.04408	0.6
135.08055	0.4
137.02400	0.8
149.04494	1.1
151.03952	23.5
152.04285	1.2
161.04509	1.1
163.03906	0.5
165.01863	0.8
177.01900	0.5
179.10739	5.4
180.11124	0.5
191.05666	0.4
193.04974	0.5
220.63057	0.4
248.79504	0.4
257.08240	13.6
258.08536	1.2
303.05115	0.8
309.25909	1.1
363.26968	0.8
377.28485	1.1
381.31802	0.5
389.21823	0.9
401.24988	1.2
409.31421	0.7
419.13589	6.1
420.13794	1.1
423.29453	0.5
425.27029	2.4
427.32217	0.9
429.21539	0.6
439.28601	11.2
440.29001	1.8
441.30255	8.5
442.30582	1.2
443.31702	1.1
449.70389	0.4
453.30188	0.8
455.28070	1.0
459.31210	8.5
460.31635	1.2
471.31287	23.2
472.31546	3.0
473.28748	2.0
485.29144	1.2
489.32471	1.9
490.32996	0.5
503.30267	14.6
504.31018	2.4
515.30383	0.5
533.31323	100.0
534.31757	15.2
541.44324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74835	0.5
57.03330	1.9
59.01263	16.5
59.08166	0.5
60.99192	0.7
61.98708	2.8
70.71812	1.6
71.01270	4.7
71.04907	4.4
72.99209	0.9
73.02833	1.8
75.00771	1.9
77.19025	0.6
83.01279	1.6
83.04915	1.1
85.02838	2.0
87.00780	1.1
89.02349	1.5
93.03352	0.6
95.01306	0.7
96.04438	0.5
96.95917	14.0
99.00751	1.0
99.04440	0.9
101.02333	2.8
108.02051	0.6
109.02880	0.6
113.02349	1.2
116.92793	0.6
117.03382	0.5
119.03434	0.9
119.04942	4.1
121.02826	0.8
123.04463	1.4
123.08068	0.6
125.02362	3.2
125.03320	0.7
129.11977	0.5
135.02925	1.5
135.04431	1.3
137.02380	2.6
139.05035	0.8
141.01845	0.5
151.00304	0.7
161.04541	1.2
163.03938	3.6
165.01814	0.6
167.03448	1.9
177.01837	0.6
179.03430	0.9
193.05081	0.6
209.05775	0.7
209.97572	0.5
210.77361	0.6
225.05234	1.4
226.88985	0.5
227.06773	0.5
243.06679	2.4
253.04694	3.7
271.05856	1.4
287.05710	0.7
303.05331	1.4
321.22305	0.7
337.21750	0.6
341.21085	0.5
351.23459	1.6
371.20956	0.6
393.28336	0.7
395.29510	1.4
405.27847	1.5
407.29846	0.7
423.29141	10.7
424.29593	2.0
435.29050	1.4
437.27081	1.4
439.28522	1.1
441.30344	3.6
453.19543	0.7
453.30276	3.5
454.30365	0.9
455.27573	1.1
467.28439	1.7
469.30368	1.1
471.31348	8.8
472.31757	1.9
473.27182	0.6
485.29193	22.8
486.29404	4.2
489.32486	0.7
503.30341	0.9
515.19806	0.6
515.29700	0.8
533.31305	100.0
534.31659	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03997	0.2
59.01264	100.0
60.01598	0.8
61.98721	1.2
63.57454	0.2
71.06757	0.6
79.47915	0.2
83.36341	0.2
88.37492	0.2
113.02429	0.2
125.02365	0.3
135.02948	0.3
152.99486	0.2
223.67442	0.2
296.23364	0.2
309.39731	0.3
401.03345	0.3
407.29807	0.5
415.04715	0.3
439.32379	0.5
455.31943	1.1
473.32785	1.6
487.34488	0.3
515.30499	0.4
533.14746	2.6
533.31732	0.9
534.15289	0.5
534.34821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3494
Annotation	Agosterol F
Peak:m/z	Relative Intensity
59.01261	100.0
60.01596	0.9
61.98721	0.1
65.46596	0.0
70.64262	0.1
135.02939	0.1
152.99393	0.1
210.14635	0.0
256.95523	0.0
391.26724	0.1
462.72409	0.1
473.32849	1.3
474.32971	0.3
533.35950	0.6
534.35455	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3497
Annotation	Agosterol F
Peak:m/z	Relative Intensity
56.64766	0.1
57.03355	0.1
57.27129	0.1
59.01264	100.0
60.01605	1.2
61.98721	0.4
69.44677	0.6
69.45110	0.6
71.04920	0.3
78.95789	0.2
95.02967	0.1
108.09491	0.2
155.10754	0.2
173.47369	0.1
246.35820	0.1
252.92534	0.1
272.00204	0.1
407.29645	0.5
425.30911	0.4
441.30273	0.2
453.30081	0.6
457.29837	0.2
473.32843	8.0
474.33038	1.4
489.32468	0.3
533.31140	1.5
534.31897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
58.00473	1.2
58.02855	0.6
59.01266	23.1
70.71622	0.6
71.01271	13.2
72.99198	1.6
73.02840	1.5
74.02351	1.7
75.00759	0.6
80.04951	0.4
83.01273	1.3
85.02837	3.0
86.02367	0.8
87.00764	0.6
88.98717	0.4
89.02336	14.3
93.03374	0.3
95.01286	0.8
96.95913	0.8
97.03983	0.3
99.00796	0.7
99.05546	1.1
101.02347	9.8
104.04973	2.2
106.06529	1.8
107.01293	0.3
108.04457	3.8
109.02879	0.4
113.02357	4.8
116.05006	0.4
119.03429	4.0
122.06046	0.6
123.00812	0.3
125.02375	1.2
128.03447	3.8
129.03789	0.9
130.02928	0.3
132.04478	31.2
133.04831	1.1
134.06047	21.3
134.45857	0.3
135.02934	0.7
135.04506	0.5
135.05498	0.4
135.06398	0.5
137.02364	0.3
141.06522	0.3
143.03488	0.5
143.04549	4.9
144.04575	1.0
147.03172	0.4
148.03961	1.9
149.04477	0.8
150.05573	0.6
151.00305	1.2
152.00998	0.3
152.07104	2.5
153.06563	0.4
158.02443	1.1
158.06062	3.1
160.00696	1.2
160.03983	1.2
161.01001	0.3
161.04562	0.6
163.06039	0.3
167.04628	0.4
176.03487	7.5
177.03676	0.6
178.99898	0.4
179.04543	0.6
188.03464	2.4
189.04089	0.4
190.05061	4.1
191.01912	0.3
191.05376	0.6
202.05055	0.7
208.06085	0.5
209.11792	0.6
210.08902	0.7
211.09253	0.4
225.10341	0.4
227.11884	0.5
251.11923	4.0
253.09840	0.3
254.07846	1.3
255.08461	0.6
255.11441	2.2
271.41092	0.3
272.08914	1.2
273.09280	1.0
279.11444	13.8
280.11700	1.3
288.06564	0.5
289.07108	0.6
295.10931	3.2
296.11334	0.4
297.12466	0.7
298.08487	0.4
306.07767	8.7
307.08023	7.7
308.07541	1.7
313.10840	1.6
314.12497	2.5
323.10437	9.5
324.10730	1.1
337.12061	0.7
373.12985	3.8
374.13074	0.3
381.04990	0.3
388.24319	0.3
435.17770	6.2
435.23166	0.6
436.18158	0.5
459.17825	15.2
460.18201	1.9
475.17233	2.8
487.30569	0.8
497.09515	1.0
503.16830	100.0
504.17184	14.1
517.18433	7.5
517.31335	0.6
518.18677	1.0
534.31696	0.4
535.11505	0.8
535.19507	14.1
535.32684	8.6
535.60913	0.6
536.19690	2.8
536.33130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03330	3.5
58.00477	1.5
59.01262	100.0
60.01609	1.2
61.98720	2.4
63.96135	1.4
69.03348	1.8
70.70392	2.1
71.01267	30.2
71.04913	1.8
72.01605	0.7
72.99195	2.6
73.02833	29.9
73.98221	0.8
74.98978	1.0
75.00765	1.9
81.03341	0.7
83.01273	9.8
85.02843	5.8
87.00785	2.7
89.02334	18.1
89.60873	0.6
93.03369	0.7
93.54374	0.6
95.01322	1.9
96.95930	1.9
97.02853	1.0
99.00779	4.4
99.04469	1.0
101.02341	38.8
101.51932	0.6
102.02730	0.9
109.02915	0.8
113.02345	15.0
113.03068	1.0
117.97208	1.4
119.03413	6.3
119.04865	0.8
125.02377	8.1
131.03413	5.8
135.02864	1.0
135.04459	1.7
135.98294	2.9
136.01550	0.8
136.99133	0.7
137.02383	1.1
139.03935	0.7
143.03429	5.0
147.02927	0.8
149.02449	0.7
149.04500	14.0
151.00322	2.8
151.04001	0.8
161.04506	15.9
167.01753	0.7
167.03511	1.2
178.99849	1.3
179.03432	0.8
179.05646	1.6
191.05591	2.5
192.99629	6.7
194.00026	0.7
195.06732	0.7
203.05621	1.4
211.13417	0.9
221.06631	6.6
251.07846	1.6
285.49661	0.7
319.02884	4.3
367.03043	3.4
367.53064	1.0
373.13309	1.2
373.18591	1.2
401.27353	1.4
415.23825	1.9
424.26617	0.8
457.68610	0.8
475.21329	3.5
517.31848	1.4
535.10254	1.0
535.22083	1.2
535.24469	1.1
535.33344	17.4
536.33441	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
57.03336	2.1
58.00470	0.7
59.01262	29.1
60.01600	0.4
61.98717	0.9
63.35986	0.4
69.03318	0.6
69.51972	1.5
69.52398	1.2
70.65153	0.3
71.01266	12.5
71.04897	0.5
72.99187	1.5
73.02835	2.8
74.08902	0.3
75.00742	0.4
83.01263	1.7
85.02839	5.2
87.00756	1.0
87.04423	1.5
89.02335	8.4
95.01276	1.3
96.95914	1.2
97.06472	0.4
98.95500	1.0
99.00748	0.6
99.04391	0.9
101.02341	9.4
101.27995	0.3
109.02825	0.6
113.02346	4.7
115.45194	0.3
119.03404	3.3
119.04922	0.7
121.02889	0.4
122.03606	0.6
123.00796	0.3
123.04380	0.5
123.08066	0.4
124.01563	1.0
125.02358	4.2
125.09628	1.4
131.03369	0.5
134.03699	0.6
135.02904	0.3
135.04416	0.6
137.02383	0.7
137.09695	0.4
145.02870	0.4
149.99519	2.0
151.03932	0.6
152.01106	0.4
155.10741	0.7
161.04512	1.2
163.03992	0.6
164.01027	0.4
167.03416	0.6
168.00586	2.8
169.01248	0.4
171.10225	4.3
173.06120	0.3
178.02519	0.4
179.03465	0.7
179.05513	0.4
188.04527	0.3
193.05038	1.1
211.13226	0.7
225.11331	0.4
289.40353	0.3
315.01575	0.6
325.23904	1.1
329.46725	0.4
337.23932	1.2
355.24945	19.5
356.25342	1.9
373.26010	14.5
374.26395	1.6
405.95383	0.3
415.26996	0.5
473.32959	0.4
475.29379	0.5
487.30554	0.8
517.31622	1.5
517.40289	0.3
535.14709	6.2
535.31415	100.0
536.15009	0.7
536.31769	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	535.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55327	0.4
54.82137	0.4
55.01758	0.9
57.03343	2.6
58.00446	0.5
59.01266	21.4
61.98706	1.4
69.03342	0.5
71.01268	9.0
71.04906	1.1
71.57133	0.8
72.99194	1.1
73.02834	5.9
75.00763	1.0
79.95618	0.5
83.01279	1.3
83.86018	0.4
84.42731	0.4
85.02850	3.7
85.99981	0.4
87.00773	2.6
88.98676	0.8
89.02341	4.6
93.25420	0.4
95.01279	1.0
96.95908	1.7
97.02840	0.5
97.06462	0.6
99.00766	1.3
101.02347	7.0
109.02844	0.8
111.00746	0.6
113.02357	2.7
116.92773	0.7
119.03409	1.1
119.04927	0.9
121.02837	0.5
122.03657	1.0
123.04398	1.4
125.02348	3.2
125.09660	1.3
127.11190	0.7
134.03653	0.7
135.02899	1.4
135.04428	0.9
135.11685	0.5
137.02354	2.1
137.09654	0.8
145.30736	0.4
145.37956	0.4
151.00327	0.7
152.07115	0.7
155.10689	0.6
161.02368	0.7
161.04518	0.9
168.00618	0.7
171.10229	3.6
179.03491	0.7
179.10710	0.5
185.11765	0.6
193.05046	0.9
197.15456	1.0
211.13400	0.6
213.05293	0.4
229.14438	0.7
247.15341	0.5
271.42346	0.5
280.54199	0.4
289.07117	0.4
295.22781	0.5
307.10632	0.5
355.24927	4.0
356.25861	0.5
357.26624	0.7
371.24246	0.8
373.26010	23.6
374.26346	2.8
375.27530	1.5
407.29776	0.6
425.30881	0.7
431.26718	1.0
437.30173	0.6
449.27362	0.4
454.49359	0.4
455.31512	0.7
460.18927	0.9
461.07874	0.4
473.32739	1.1
474.32690	0.7
475.21957	1.0
475.28967	1.0
491.33551	0.5
501.32248	0.4
504.18018	1.3
517.31146	1.3
534.32416	0.5
535.31464	100.0
536.31781	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	535.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56830	0.2
55.01774	0.7
57.03329	1.6
58.00481	0.4
59.01262	62.4
60.01599	0.5
61.98722	1.3
62.40413	0.2
68.99702	0.3
69.03339	0.5
69.18772	0.2
69.80167	0.2
71.01269	10.4
71.04910	0.6
71.55928	0.4
72.99196	1.2
73.02832	3.1
75.00770	0.9
81.03349	0.4
83.01266	2.1
83.04947	0.4
85.02840	5.2
85.06518	0.2
87.00748	1.3
88.98713	1.8
89.02333	3.9
93.03336	0.5
95.01309	0.8
95.04918	0.3
96.95919	0.4
97.02859	0.6
97.06491	0.3
99.00787	1.4
99.04417	0.7
101.02341	8.3
107.04943	0.4
108.02105	1.3
109.02872	2.0
111.00813	0.9
113.02357	3.9
117.27665	0.2
119.03445	1.0
119.04978	0.3
119.08628	0.5
121.02890	0.5
122.03654	2.7
123.04441	4.3
123.08094	0.7
125.02357	1.4
125.09648	0.6
127.11234	0.3
129.01884	0.5
131.03413	0.2
133.10152	0.3
134.03610	0.4
135.02919	0.5
135.04463	0.7
135.11734	0.4
137.02357	1.1
137.09673	0.6
141.09224	0.3
143.03468	0.2
146.07274	0.3
149.02440	0.5
151.00307	0.3
151.03934	3.8
152.01091	0.9
153.09227	0.3
153.33167	0.2
155.10715	0.5
159.02914	0.4
161.02431	0.3
161.04504	1.7
161.09703	0.8
163.03966	0.5
167.03441	1.8
167.10741	0.5
171.10234	2.6
179.03419	0.4
179.05681	0.3
179.10742	2.0
193.04921	0.4
211.13385	0.4
215.80478	0.2
257.15451	0.3
273.07816	1.0
277.21851	0.8
285.09955	0.6
287.02008	0.4
289.07202	0.2
295.22931	0.3
315.01550	0.4
327.21820	0.5
355.24957	3.4
356.25189	0.5
362.19714	0.5
373.25998	10.7
374.26334	0.8
391.26654	0.4
393.28168	1.0
397.13614	0.3
407.29263	0.2
409.31296	0.9
411.29132	0.6
425.30862	0.7
427.32458	0.5
435.12988	1.2
439.27194	0.5
457.28214	1.0
459.31387	0.3
473.33041	0.4
475.34494	22.3
476.34814	2.8
491.19098	0.4
505.30740	0.3
517.30402	2.0
535.31366	100.0
536.31708	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96588	0.5
57.03330	1.3
59.01268	6.3
61.98734	0.4
69.03366	0.7
69.24869	5.4
71.01263	1.0
71.04925	1.0
73.02850	0.4
78.58823	0.5
80.02560	3.0
81.03337	3.1
82.71688	0.5
83.04913	8.5
84.02051	2.2
92.88219	0.4
95.04914	2.7
97.02853	1.9
97.06484	1.7
98.93729	0.5
99.04399	0.7
106.04131	0.6
107.05006	0.4
109.06432	1.1
111.08102	0.9
119.08562	0.5
121.06505	0.9
123.04443	1.8
123.08064	1.5
125.02438	0.5
125.05996	1.3
125.09644	4.3
127.07593	0.8
135.08090	4.3
137.05988	0.5
137.09637	2.6
138.06638	0.5
141.05521	2.8
141.09152	1.3
141.12805	0.5
149.06050	0.6
149.09644	0.5
151.11154	0.7
152.99567	0.9
153.09158	7.2
161.09653	0.5
162.10358	0.5
163.11237	9.9
164.11488	0.7
165.09106	0.7
165.12796	4.4
166.29062	0.4
171.10211	11.0
172.10562	0.4
175.11209	0.5
177.12840	0.9
178.10301	0.5
179.10735	0.6
181.12300	1.8
185.11777	5.2
191.10736	1.9
191.14357	5.6
192.14668	0.5
193.12239	0.4
197.11784	1.5
204.62424	0.5
207.10234	3.1
209.11815	100.0
210.12151	5.7
211.13351	1.2
217.15952	0.9
225.11333	3.2
227.12898	16.6
228.13219	1.2
243.17461	0.8
245.19142	14.7
246.19485	1.0
255.12466	0.9
263.20181	1.0
271.17111	1.3
289.18149	60.6
290.18436	5.9
307.19211	69.9
308.19525	6.8
325.20242	22.0
326.20517	1.8
345.20773	0.5
363.21881	1.1
455.31778	0.9
499.30710	2.6
517.31946	3.2
518.31940	0.6
535.32880	1.9
536.33362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04299	0.4
59.01263	100.0
60.01595	1.5
61.01675	0.4
61.98720	3.5
63.61253	0.3
71.01271	3.4
71.04906	1.3
71.56499	0.7
73.02823	2.3
78.95795	5.6
83.04896	0.3
85.02873	0.6
88.15114	0.4
89.02338	0.7
96.95889	0.4
96.96838	1.0
105.09031	0.3
105.24464	0.4
125.02375	0.5
129.03421	0.4
152.99530	9.9
153.99893	1.2
171.00639	0.4
172.86469	0.4
189.12759	0.4
288.18607	0.5
300.47632	0.4
321.22083	0.3
367.22708	0.5
379.26685	0.6
385.27499	1.0
393.24374	0.5
399.25406	3.7
409.27771	2.3
421.27756	2.5
422.27771	0.6
423.25616	0.5
425.27045	5.9
426.27118	0.6
437.26813	2.0
439.28644	3.8
441.26740	0.6
447.21454	0.5
448.21936	2.7
455.32300	0.7
457.29782	5.8
458.29837	0.8
473.32547	0.6
475.30719	74.8
476.31094	11.9
476.36319	0.3
499.30551	0.6
501.32303	2.6
502.32724	0.6
535.24982	1.0
535.32697	3.7
536.33307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3288
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
50.54422	0.7
53.95907	0.7
57.03345	1.1
59.01262	22.2
60.99184	1.1
61.88004	0.7
61.98716	17.5
69.03328	0.7
69.92336	1.2
69.92661	3.7
71.01277	3.8
71.04908	12.4
72.99187	2.2
73.02842	2.8
75.00771	1.3
78.41308	0.7
78.95811	1.5
79.95612	0.8
81.03345	1.1
83.01261	0.9
83.04910	2.8
85.02834	2.3
87.00768	1.4
87.04396	0.9
89.02331	1.8
93.03355	0.9
95.04906	0.9
96.95914	2.7
101.02358	2.1
105.01844	2.6
108.02062	1.7
109.02889	1.4
112.96762	0.8
113.02316	0.8
119.04936	0.9
119.08582	2.1
121.06503	0.9
125.02367	1.5
135.02930	4.2
135.04454	0.9
137.02376	0.9
152.01086	1.1
152.99496	2.3
153.01840	0.9
163.03926	1.1
189.12808	0.8
190.49899	0.7
223.30981	0.7
244.76762	0.7
257.19159	0.9
259.17093	1.2
289.19568	1.0
305.22797	2.9
343.20883	1.1
357.22165	1.0
371.27701	3.4
373.25192	4.1
373.29288	1.7
389.28543	7.6
390.28967	0.8
391.26328	2.1
392.26321	0.8
405.28052	1.5
407.29837	4.3
423.29114	2.0
425.30893	1.1
437.30615	2.1
439.28525	1.9
441.30139	1.4
451.28632	3.1
455.31744	26.5
456.32108	3.6
457.33536	1.0
473.33246	1.1
483.31421	6.1
484.31668	1.1
489.32275	6.5
490.32550	1.4
491.29028	1.3
499.30640	1.2
501.32352	100.0
502.32751	15.1
505.31824	2.0
517.31824	22.2
518.32312	3.6
535.22070	1.1
535.33313	24.4
536.32697	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49778	0.2
59.01263	100.0
60.01605	1.0
61.98719	0.7
66.74926	0.2
70.05953	0.9
75.00780	0.4
75.31055	0.2
78.23634	0.2
78.95787	0.3
96.95946	0.3
104.56995	0.2
127.62460	0.2
157.10741	0.2
164.79930	0.2
209.12030	0.3
227.12918	0.4
272.84686	0.2
289.18240	0.7
297.69543	0.3
304.81573	0.3
307.19342	0.5
495.92700	0.2
499.13562	0.3
535.26379	0.4
535.33813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01600	1.0
61.98728	0.4
69.37521	0.3
71.56716	0.3
74.08831	0.3
78.95796	1.2
102.58495	0.3
111.20618	0.2
130.82840	0.3
152.99507	1.6
153.14297	0.3
188.27785	0.2
204.74542	0.3
209.11731	0.4
225.84273	0.3
240.47304	0.3
289.18176	0.4
292.06940	0.3
307.19235	0.6
321.21051	0.3
475.34460	0.6
535.26459	0.5
535.34399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
59.70802	0.5
60.01600	0.9
61.98726	2.2
67.49558	0.6
69.40562	3.4
78.95805	4.0
82.83498	0.5
96.95905	0.9
148.93935	0.5
152.99516	5.6
166.59824	0.4
169.20357	0.4
216.15352	0.5
409.31342	0.9
475.34445	5.2
476.34933	0.8
492.16846	0.6
499.30670	4.0
500.31097	0.8
535.26123	2.6
535.34161	1.0
545.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68797	3.4
59.00676	3.3
59.01271	19.1
60.70268	3.4
61.98719	4.0
65.00205	5.2
65.99728	6.4
67.01790	4.0
71.01261	13.4
71.04918	26.9
72.99170	4.3
73.03695	3.3
73.13936	3.1
74.91364	3.0
77.17588	3.2
83.01262	6.6
83.02387	16.0
84.76748	3.2
85.02812	4.9
87.00783	3.7
89.02355	5.8
95.01276	6.5
99.00774	11.9
99.14633	3.6
101.02346	4.0
109.02864	17.4
109.99989	4.2
111.00778	8.5
121.02878	7.6
123.00810	15.9
125.02372	9.2
137.02412	8.2
139.00307	14.7
141.01874	6.8
144.79160	3.5
147.00867	3.7
148.01602	15.6
149.02357	10.9
150.03085	4.0
151.00314	13.7
152.01050	7.1
153.01869	14.8
161.02402	10.4
162.01923	8.4
163.00322	8.4
164.01053	4.5
165.01898	4.1
166.99815	20.8
169.01450	3.9
173.02463	4.5
176.01035	3.9
177.01874	9.9
178.01379	7.0
178.99808	14.2
179.03404	5.3
180.03064	6.1
189.01700	4.6
190.99773	5.6
191.03525	6.5
192.00613	15.6
193.01414	26.2
199.03891	4.0
202.01405	12.2
206.00867	7.2
206.99188	5.3
208.00119	4.3
215.03439	6.7
220.02441	6.5
227.03468	6.8
229.70461	4.4
243.02953	9.7
246.00580	6.2
255.03026	6.8
258.04230	6.1
259.02466	7.1
267.03040	3.4
271.02570	20.9
273.03995	3.6
283.02423	7.1
285.03964	5.3
287.01849	21.5
289.03476	4.2
299.02002	5.6
300.02734	5.6
301.03552	10.9
302.03519	3.9
310.03592	8.3
311.01944	9.7
312.05212	7.3
313.03275	4.5
315.01501	26.4
316.02176	13.6
317.02930	4.7
329.02884	13.8
333.02768	4.4
335.23886	10.3
338.03101	21.6
347.03796	4.8
355.03238	9.5
355.06885	17.5
356.04160	30.5
371.06287	9.3
373.08047	8.6
374.05322	4.2
385.23688	7.2
400.08826	15.5
401.26984	4.5
410.07330	7.5
421.26035	12.8
426.06940	4.8
463.08624	7.9
477.07849	4.1
478.07693	5.9
491.08575	5.4
509.09488	20.2
518.09424	47.6
519.09845	4.9
535.33026	77.9
536.10590	100.0
536.33173	39.4
537.10498	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	536.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68797	3.4
59.00676	3.3
59.01271	19.1
60.70268	3.4
61.98719	4.0
65.00205	5.2
65.99728	6.4
67.01790	4.0
71.01261	13.4
71.04918	26.9
72.99170	4.3
73.03695	3.3
73.13936	3.1
74.91364	3.0
77.17588	3.2
83.01262	6.6
83.02387	16.0
84.76748	3.2
85.02812	4.9
87.00783	3.7
89.02355	5.8
95.01276	6.5
99.00774	11.9
99.14633	3.6
101.02346	4.0
109.02864	17.4
109.99989	4.2
111.00778	8.5
121.02878	7.6
123.00810	15.9
125.02372	9.2
137.02412	8.2
139.00307	14.7
141.01874	6.8
144.79160	3.5
147.00867	3.7
148.01602	15.6
149.02357	10.9
150.03085	4.0
151.00314	13.7
152.01050	7.1
153.01869	14.8
161.02402	10.4
162.01923	8.4
163.00322	8.4
164.01053	4.5
165.01898	4.1
166.99815	20.8
169.01450	3.9
173.02463	4.5
176.01035	3.9
177.01874	9.9
178.01379	7.0
178.99808	14.2
179.03404	5.3
180.03064	6.1
189.01700	4.6
190.99773	5.6
191.03525	6.5
192.00613	15.6
193.01414	26.2
199.03891	4.0
202.01405	12.2
206.00867	7.2
206.99188	5.3
208.00119	4.3
215.03439	6.7
220.02441	6.5
227.03468	6.8
229.70461	4.4
243.02953	9.7
246.00580	6.2
255.03026	6.8
258.04230	6.1
259.02466	7.1
267.03040	3.4
271.02570	20.9
273.03995	3.6
283.02423	7.1
285.03964	5.3
287.01849	21.5
289.03476	4.2
299.02002	5.6
300.02734	5.6
301.03552	10.9
302.03519	3.9
310.03592	8.3
311.01944	9.7
312.05212	7.3
313.03275	4.5
315.01501	26.4
316.02176	13.6
317.02930	4.7
329.02884	13.8
333.02768	4.4
335.23886	10.3
338.03101	21.6
347.03796	4.8
355.03238	9.5
355.06885	17.5
356.04160	30.5
371.06287	9.3
373.08047	8.6
374.05322	4.2
385.23688	7.2
400.08826	15.5
401.26984	4.5
410.07330	7.5
421.26035	12.8
426.06940	4.8
463.08624	7.9
477.07849	4.1
478.07693	5.9
491.08575	5.4
509.09488	20.2
518.09424	47.6
519.09845	4.9
535.33026	77.9
536.10590	100.0
536.33173	39.4
537.10498	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	537.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
60.99189	16.8
65.00237	0.5
69.52436	0.7
69.52840	2.8
70.66956	0.5
71.01275	0.6
85.02852	0.4
88.98695	100.0
89.99039	0.9
99.00727	0.6
107.01306	1.3
108.02050	1.3
109.02851	1.7
121.02859	1.5
122.65942	0.4
134.67307	0.4
148.01559	0.5
151.00301	5.5
152.01025	1.7
153.01942	0.8
163.00291	1.5
169.01318	0.5
178.99840	3.4
187.03975	0.5
199.07596	1.0
227.03453	1.0
229.05034	0.5
243.02966	2.7
244.03494	0.5
245.04541	0.8
254.02107	0.8
255.03041	8.0
256.03378	0.7
271.02545	15.9
271.05481	1.0
272.02948	1.8
273.04047	0.9
283.02527	0.9
300.02805	33.6
301.03555	27.1
302.03943	2.2
315.07642	0.5
343.08386	0.4
343.52789	0.4
447.09399	58.8
448.03876	0.6
448.09799	8.2
483.45316	0.4
493.16684	0.5
537.16083	1.6
537.23773	0.7
537.32983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1623
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
55.01772	0.6
57.03339	0.6
58.81954	0.5
59.00991	0.8
59.01264	10.3
60.01588	0.6
61.98695	1.5
62.25203	0.4
64.10323	0.4
67.97946	0.4
68.80276	0.4
69.03340	4.4
71.01265	4.4
71.54304	0.4
72.99188	0.7
73.02853	1.2
75.00769	5.6
78.95823	0.5
81.03346	2.0
83.01273	2.4
83.04871	0.7
85.02835	2.3
87.00759	0.8
87.04412	1.2
88.98694	1.7
89.02336	3.5
93.03355	0.9
93.46720	0.4
95.01287	1.9
96.95927	0.9
97.02870	3.6
99.00743	0.7
101.02336	2.2
107.01284	1.4
108.02074	2.4
109.02855	2.1
113.02373	1.5
121.02805	1.1
123.00786	6.7
123.04458	0.9
124.01592	19.8
125.02369	58.2
126.02690	1.6
129.01822	1.1
131.03427	0.7
133.02945	0.5
134.03604	0.8
135.00787	1.8
135.02910	4.8
135.04419	0.8
136.01561	1.4
137.02367	3.9
139.03911	0.6
149.02385	0.5
149.99529	28.6
151.00334	2.6
151.03943	1.1
152.01135	2.9
153.01857	2.6
161.02332	0.6
161.04480	0.5
161.09647	0.8
163.00227	0.5
163.03899	0.9
164.01096	4.7
165.01868	1.1
165.03993	6.4
166.99774	0.8
167.03459	1.4
168.00592	59.4
169.01360	9.5
178.02586	0.6
179.10776	0.7
187.04076	0.6
189.02005	0.5
204.04189	0.7
227.03371	0.7
243.06592	1.5
283.13535	0.9
289.07132	0.5
309.15021	1.0
313.05722	1.2
327.16110	1.4
343.15796	0.9
345.16937	0.8
357.17038	0.6
371.15100	6.4
375.27533	1.3
382.20157	0.5
401.16238	3.7
407.81592	0.5
429.10309	2.1
447.09769	0.7
476.34821	1.3
477.23734	0.7
536.32056	5.3
537.16217	100.0
537.32434	6.3
538.16565	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12755	0.3
52.40437	0.3
57.03346	0.5
59.01257	8.3
61.98715	0.5
67.26901	0.3
69.03334	1.1
69.39053	2.7
71.01266	7.9
72.99194	0.7
73.02828	1.2
75.00772	1.0
76.81094	0.3
81.03334	0.4
83.01280	1.0
85.02840	1.5
85.27001	0.3
87.00796	0.4
88.98692	0.9
89.02335	11.6
91.01785	2.7
93.03352	33.4
94.03688	0.8
95.01308	0.5
95.04939	0.4
95.20232	0.3
96.95876	0.4
97.02841	1.4
99.00767	2.2
99.04458	0.3
101.02368	1.6
107.01273	0.4
108.02071	3.6
108.02747	0.5
109.02860	1.4
111.00781	0.4
113.02367	0.8
114.80061	0.3
115.03919	1.1
116.23844	0.3
119.05010	0.4
121.02897	1.5
123.00808	1.6
124.01585	1.4
125.02363	10.7
127.28763	0.3
127.97572	0.3
131.03419	1.2
134.03664	0.5
134.44841	0.3
135.00803	2.5
135.02899	0.6
136.09325	0.3
137.02370	100.0
138.02721	3.5
143.03481	0.4
149.02394	0.3
149.04433	1.9
149.99525	1.4
151.03944	0.4
152.01094	3.6
161.02394	0.4
163.03888	0.4
165.01880	0.4
165.03937	0.4
167.03531	0.5
168.00587	4.4
169.01401	0.8
191.05577	1.0
197.06073	0.6
199.07613	5.7
200.07962	0.5
210.79753	0.3
211.13406	0.3
219.60065	0.4
226.08105	0.3
233.06653	4.3
234.07214	0.4
243.06639	23.6
244.06979	1.9
293.08832	4.5
315.12244	0.4
331.06696	0.4
371.15143	0.6
401.15723	0.4
447.09384	0.4
468.98541	0.4
477.19025	0.6
489.19281	0.4
499.20520	0.4
537.16064	8.8
537.33838	0.6
538.16937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88656	0.1
59.01260	0.7
61.98709	0.3
62.06354	0.1
63.02317	0.1
63.97795	0.1
65.00199	0.7
65.03857	0.1
69.03352	0.2
69.40519	0.9
71.01266	0.5
71.23923	0.1
73.02837	0.1
75.00759	0.2
77.03867	0.2
80.02560	0.3
81.03324	0.1
85.02823	0.2
88.98688	0.2
89.02322	0.8
91.01786	12.1
92.02126	0.4
93.03354	0.6
95.01283	0.6
97.02850	0.1
99.00834	0.2
101.02363	0.3
107.01283	0.1
107.04944	0.3
108.02074	14.8
109.02891	3.6
110.03229	0.1
111.00802	0.2
119.03409	0.2
121.02854	0.7
121.20719	0.1
123.00794	4.9
123.04369	0.2
124.01540	0.4
125.02367	0.3
133.02872	0.2
134.03683	0.1
135.00803	13.2
136.01170	0.3
137.02367	4.3
138.02742	0.1
149.02359	0.1
149.04459	0.1
151.00377	0.1
152.01089	15.3
153.01721	0.9
160.53757	0.1
165.01830	0.1
165.03931	0.1
169.06487	0.1
177.01894	0.2
191.05663	0.1
197.06071	1.5
198.06371	0.1
199.07610	0.5
211.13359	0.1
213.05531	1.2
215.07104	0.9
225.05550	0.2
233.06677	0.3
241.05038	0.3
242.05843	0.2
243.06639	100.0
244.06975	6.7
247.34308	0.1
256.54489	0.1
283.23334	0.1
293.08792	0.5
345.16983	0.2
357.21017	0.2
429.05127	0.1
429.10507	1.9
430.10614	0.2
475.08728	0.2
536.32416	0.2
537.16144	8.9
538.16528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1989
Annotation	Tanegoside
Peak:m/z	Relative Intensity
52.56867	0.5
58.00492	0.6
59.01265	10.7
59.96138	0.6
67.66422	0.5
71.01265	9.6
72.99198	1.3
73.02817	0.7
75.00758	1.1
80.48898	0.6
83.01273	1.1
85.02837	2.5
87.00787	1.1
88.98662	0.7
89.02334	8.4
96.95901	1.1
99.59457	0.5
101.02341	4.8
108.02069	2.4
109.02856	16.9
109.03612	1.1
111.00770	0.8
113.02345	2.8
116.92742	0.7
119.03421	3.1
121.02882	3.1
122.03648	1.7
123.00827	1.1
123.04420	2.1
124.01562	1.5
125.02355	1.6
131.03407	0.7
135.02919	0.9
135.04422	1.7
136.01576	10.5
137.02409	2.9
145.02863	2.2
146.03658	7.9
147.04387	1.7
149.02408	0.9
149.04485	1.0
150.03142	0.8
151.00288	0.7
151.03938	13.0
158.03612	0.9
159.04413	2.1
160.05203	2.7
161.02403	0.9
161.04727	0.8
161.05995	4.3
163.03893	0.8
164.04741	2.3
165.05537	1.0
171.04495	0.8
172.05251	2.8
173.05992	0.9
174.03175	0.8
175.02518	0.7
175.03967	8.5
176.03300	0.8
176.04742	8.8
177.01944	0.7
179.05615	1.1
179.07053	7.9
180.04297	1.6
187.03917	1.4
188.04765	1.9
189.05511	5.8
190.06306	6.4
191.07082	13.3
195.06616	4.2
201.05525	0.7
203.07147	1.7
221.08246	0.6
223.07666	1.2
235.07672	0.7
239.07173	1.4
241.04953	0.8
251.07211	5.0
256.03827	1.0
261.05545	2.1
262.06314	1.3
263.07230	1.7
266.05838	2.5
266.09445	0.6
267.06668	12.8
268.07108	1.0
269.08337	1.2
271.09702	0.8
278.05908	1.3
279.06726	11.8
281.08224	2.7
282.09039	9.3
283.09683	2.2
289.07407	1.0
293.08008	1.4
294.09000	8.6
295.10938	1.2
296.10635	2.6
297.07758	5.9
297.11377	19.5
298.08517	0.6
298.11801	1.7
309.11456	2.4
311.09348	3.3
312.06479	1.1
312.10107	21.6
313.10431	1.9
315.08658	1.7
315.12433	1.7
321.11340	1.4
327.12430	100.0
328.08963	0.9
328.12750	9.1
329.10336	1.1
330.11203	4.0
339.12405	1.0
342.11124	1.5
345.09335	1.2
345.13489	22.6
346.13867	2.3
353.11551	0.6
357.13501	26.1
358.13828	2.1
360.12384	2.8
375.14566	26.8
376.14944	3.0
415.11368	0.8
537.19714	10.3
538.20300	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	537.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	27.4
60.01611	3.9
61.98722	11.7
70.69694	11.2
72.89446	3.5
76.85448	3.3
78.20669	3.0
78.95813	3.6
83.44073	3.0
88.98708	6.0
115.76657	3.6
124.36057	2.9
165.01862	3.1
182.72685	3.3
291.19220	4.2
309.20749	7.4
318.51929	3.0
417.73242	3.8
447.09253	3.8
453.30185	39.5
454.30563	9.8
461.33401	3.6
471.31271	4.0
499.30640	6.3
501.32300	100.0
502.32697	14.5
537.29034	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	539.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	20.9
61.60590	0.8
71.01270	20.5
73.02850	0.8
74.23459	0.6
81.18435	0.7
83.01330	0.8
85.02843	3.6
87.00816	2.7
89.02337	28.4
95.01296	1.6
96.66979	0.7
100.39176	0.8
101.02341	12.9
102.32239	0.7
113.02342	10.4
119.03414	8.0
125.02403	1.0
127.35637	0.9
131.03444	1.1
143.02513	0.7
143.03395	3.6
161.04523	2.8
179.05565	17.4
215.03293	1.4
221.06641	5.9
233.06647	4.3
292.64340	0.8
323.09918	1.9
341.10892	2.8
359.07678	1.5
377.08609	2.8
503.16296	100.0
504.16592	9.0
539.13953	55.3
539.22430	1.2
540.14337	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	539.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15399	0.5
55.01716	2.0
57.03294	1.3
59.01205	16.8
59.01532	1.2
62.40083	0.7
70.60933	1.2
70.61325	1.3
71.01268	19.6
71.01620	0.9
72.99123	2.2
73.02840	6.6
75.00703	1.2
78.46682	0.7
83.01264	5.0
84.00929	0.7
85.02833	9.9
85.99934	0.9
86.97810	0.6
87.00708	2.1
89.02337	8.5
93.03290	1.7
95.01236	1.4
96.95839	2.7
97.02818	0.7
99.00786	3.0
101.02348	17.0
107.28450	0.6
108.02017	0.6
109.02859	0.6
111.00737	1.5
113.02364	8.6
118.41494	0.7
119.03325	2.3
119.04845	0.7
121.02863	4.9
122.03648	5.5
123.00722	0.9
125.02312	1.1
129.01846	0.6
132.02115	0.6
133.02876	6.9
134.03575	1.8
135.02884	0.8
135.04349	1.1
136.01514	0.7
141.01814	1.1
147.04366	1.8
149.02380	28.2
149.05890	1.4
150.03162	43.5
151.03497	1.7
159.02855	0.7
161.04440	0.8
164.04729	5.7
165.05516	36.1
166.06291	6.3
167.07027	1.2
177.05438	0.7
179.05511	1.4
180.04153	2.0
181.08665	7.1
194.00858	1.6
195.06595	13.8
242.15741	0.6
270.08942	1.2
283.09723	1.3
314.11670	5.9
315.11993	1.4
329.13980	13.7
343.10208	0.9
343.14075	13.0
384.42084	0.7
393.24332	0.7
491.19324	100.0
492.19681	11.9
539.21466	20.7
540.21814	2.4
545.94946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62957	0.6
55.01760	1.7
57.03350	1.0
58.00486	4.6
59.01260	93.5
60.01572	0.9
71.01266	70.4
71.32220	0.7
71.32545	0.5
72.01594	1.0
72.99186	4.4
73.02843	3.5
75.00789	0.8
83.01283	2.9
83.24904	0.6
85.02837	12.5
87.00763	4.8
89.02333	100.0
89.67553	0.5
90.02682	1.2
93.03355	2.0
95.01285	3.2
96.95883	1.7
97.02790	0.5
99.00795	1.4
101.02345	39.2
102.02728	0.7
107.03414	0.7
108.02079	1.1
113.01537	0.8
113.02350	30.3
119.03409	33.9
120.03706	1.0
121.02856	4.8
122.03636	5.9
123.00687	0.7
123.04433	1.6
125.02342	1.5
131.03445	4.3
131.32509	0.5
133.02863	2.2
134.03604	1.0
135.04367	1.2
143.03429	6.9
145.02843	2.2
146.03665	0.6
147.04407	1.4
149.01245	0.7
149.02380	14.8
149.04436	3.9
149.05765	1.1
150.03162	52.2
151.03473	1.9
161.02321	2.4
161.04471	7.3
162.03186	9.0
163.03766	0.9
164.04776	3.0
165.05515	53.5
166.06314	9.5
167.07022	0.8
177.05505	5.8
179.05568	20.8
180.04198	4.5
180.05675	0.9
181.08635	4.9
195.06604	27.8
196.06912	1.4
221.16469	0.6
250.53746	0.7
250.98714	0.5
296.10001	0.6
314.11548	1.8
315.12219	0.9
316.02094	1.6
329.14053	5.5
343.14011	8.9
357.11694	1.0
357.55258	0.6
449.07092	1.4
473.00290	0.6
491.19342	49.6
492.19595	6.0
539.13495	0.7
539.21405	7.9
540.21588	0.8
544.49036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
59.01262	27.5
60.70388	1.4
60.99179	5.0
61.98700	7.9
69.03329	2.8
71.01267	28.7
71.56715	3.8
72.99206	4.2
73.02841	10.0
75.00758	6.0
80.96407	4.8
83.01263	5.2
84.46580	1.8
85.02832	11.4
87.00768	2.9
88.98695	34.4
89.02341	16.7
91.01785	3.4
93.03322	2.0
95.01270	4.6
95.04893	2.0
96.95938	2.5
97.02813	2.9
99.00770	5.7
101.02347	22.6
108.02084	11.2
109.02863	34.2
113.02359	10.9
119.03384	4.5
119.04924	3.4
121.02861	6.3
123.00772	5.1
123.04446	4.6
124.01568	5.7
125.02374	35.0
128.03409	2.1
131.03400	1.9
133.02853	2.7
135.00829	8.2
135.02910	7.5
135.04442	17.9
135.98218	2.5
137.02367	5.8
137.09584	1.7
146.19965	1.7
149.02399	15.4
149.04466	4.1
149.05956	2.0
149.98500	2.0
149.99504	11.7
150.03024	2.5
151.00302	16.9
151.03963	4.9
152.01123	12.6
153.01886	41.3
154.02176	5.5
155.02303	2.8
159.03069	2.2
159.04456	1.7
161.02437	2.3
161.04500	4.5
162.03099	2.0
163.03900	3.6
163.07539	2.5
164.04741	3.2
165.01855	2.3
165.05606	3.2
166.06299	11.7
168.00621	26.2
169.01341	4.2
177.01903	3.6
179.03415	4.0
181.05049	2.5
181.08653	6.2
193.05142	2.0
209.11255	1.7
223.06010	2.4
225.00876	2.0
265.35989	2.0
287.05624	7.2
289.07300	2.1
293.08755	5.9
300.02728	3.6
301.03409	3.2
315.07339	2.8
371.20590	8.1
377.29248	3.0
449.10565	4.8
479.24612	2.2
491.18939	2.8
497.59891	1.9
503.25076	90.3
504.25446	12.9
521.21429	2.3
539.14618	35.7
539.22614	100.0
539.34302	4.9
540.14832	7.5
540.22906	17.8
559.34753	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	33.6
61.98717	21.3
71.01254	6.9
78.95785	35.2
91.89119	4.6
129.09158	6.0
135.02927	10.0
135.55779	4.1
152.99522	44.5
167.24681	4.7
171.10272	6.5
178.38831	4.6
195.89754	4.4
197.11845	11.2
203.92986	5.1
206.63821	5.9
211.13364	17.5
217.00385	5.6
227.03145	5.3
229.60046	4.4
236.64636	5.1
250.52464	5.2
285.62967	5.4
293.21277	14.6
298.25729	4.6
311.22382	45.4
352.33261	5.7
371.63855	4.9
455.31870	9.7
501.32251	29.1
502.32819	5.4
503.34039	32.8
504.34103	5.8
539.25574	100.0
539.33417	9.1
540.26337	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	539.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.7
60.62633	1.3
61.98701	4.2
70.53647	4.7
78.95786	3.6
110.96862	1.2
152.99489	5.6
169.33511	1.1
174.81355	1.3
177.38518	1.4
183.13765	1.2
197.11807	2.4
211.13409	1.9
292.34879	1.8
293.21204	2.9
311.22308	8.1
346.33072	1.4
407.29477	3.5
441.33734	1.8
459.11874	1.3
485.32809	13.2
486.33099	2.0
503.33893	100.0
504.34171	15.4
539.25641	16.5
540.26404	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	539.3156
Annotation	Panduratin B
Peak:m/z	Relative Intensity
54.18539	1.1
54.97186	1.0
57.43982	1.2
59.01257	1.9
61.98702	3.1
66.51845	1.1
71.15829	1.6
71.16189	2.2
75.61894	0.9
86.04458	1.1
93.26196	0.9
97.94357	1.0
116.81059	1.0
141.54404	1.1
161.66335	1.0
299.08929	1.1
396.19016	1.2
501.32370	1.9
539.31555	100.0
540.31915	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	541.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
58.00486	0.3
59.01261	10.6
61.98728	2.5
68.99723	0.5
69.03333	1.1
71.01264	3.4
71.56554	0.5
72.99203	0.8
73.02834	2.2
74.61819	0.4
75.00758	1.4
81.03362	1.4
83.01283	1.4
84.76504	0.4
85.02840	4.0
87.00749	0.6
87.04417	0.4
88.98725	0.5
89.02345	1.2
93.03366	0.9
93.64220	0.3
95.01261	2.6
95.60176	0.4
96.95922	1.6
97.02836	0.6
99.00769	0.8
99.04444	0.4
101.02348	1.3
108.02077	44.3
109.02871	32.6
109.06487	0.7
110.03201	1.1
111.76631	0.4
113.02340	1.1
119.04926	0.8
121.02837	0.8
123.00798	3.1
123.04419	1.0
125.02357	2.3
130.45885	0.4
133.02870	0.4
135.02928	4.0
135.04456	3.2
137.02345	1.5
137.09633	0.5
139.11221	5.3
149.02325	0.6
151.03949	2.0
152.01091	56.8
153.01881	22.2
154.02182	0.7
159.04303	0.4
163.03928	1.8
165.01952	0.9
167.03517	0.6
171.10249	0.4
177.01826	0.4
179.03447	1.1
181.12300	2.1
183.10222	7.0
195.02855	0.6
197.11801	0.5
203.03523	0.4
225.11348	2.4
243.12378	1.5
261.35654	0.4
319.85876	0.4
323.18497	0.4
343.16092	0.4
373.15845	0.4
405.18719	0.4
479.19403	3.5
481.17148	3.9
497.20459	4.1
523.18445	2.7
541.19354	100.0
542.19672	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3164
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
51.34785	2.2
55.81033	2.2
57.03336	7.3
59.01263	61.2
61.98715	24.5
69.03345	2.6
70.21242	7.3
71.01270	22.3
72.99206	3.7
73.02847	6.4
75.00761	3.8
78.95804	3.0
83.01269	3.5
83.04933	3.6
85.02850	8.1
87.00760	5.8
88.98676	2.9
89.02350	10.5
96.95935	8.2
99.00818	2.6
99.04414	3.1
101.02349	13.3
113.02369	6.3
119.03458	3.9
125.02371	7.2
135.02882	17.5
137.02397	3.1
151.00322	4.0
161.04588	3.4
178.02467	2.8
198.12346	2.4
209.11787	3.3
215.05229	2.9
344.25372	9.8
435.42957	3.1
481.28589	11.3
499.29596	6.6
505.33893	9.8
541.31781	100.0
542.31842	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	543.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75959	0.1
59.01264	100.0
60.01587	0.9
67.92185	0.1
69.90623	0.1
71.57618	0.2
71.57962	0.1
76.77770	0.1
96.95913	0.3
236.71283	0.1
249.27716	0.2
295.02750	0.2
304.07510	0.1
344.05743	0.2
370.70874	0.2
471.35626	0.2
483.31464	0.7
484.31735	0.2
499.29211	0.2
525.40607	0.1
543.33795	2.2
544.33771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
69.65633	0.1
70.75218	0.4
71.01274	0.2
74.17630	0.1
79.95626	2.4
83.15438	0.1
96.95912	100.0
97.95854	0.4
98.19930	0.1
123.75777	0.1
128.82001	0.1
143.66953	0.1
151.00266	0.2
242.38741	0.1
255.03090	0.2
271.02618	0.4
278.97894	0.1
300.02835	0.7
301.03586	0.5
447.09503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	14.8
59.01263	50.8
61.91239	1.7
61.98719	15.5
65.00203	3.1
68.99703	3.2
69.03322	4.6
70.74512	6.7
71.01260	22.7
71.04910	1.9
72.99194	3.9
73.02834	6.3
75.00763	4.1
79.24123	1.7
81.03342	13.1
83.01266	11.0
83.04915	4.4
85.02861	6.2
87.00785	3.2
89.02338	24.3
89.03866	2.4
91.01746	2.7
93.03368	5.3
95.01294	4.2
95.04924	8.3
96.95901	37.5
97.02838	12.2
97.93787	1.9
99.00787	4.2
99.04420	8.9
101.02350	12.6
105.03367	3.9
107.01334	2.5
107.04910	2.0
108.02058	3.4
109.02871	12.5
113.02342	5.8
117.03269	2.4
119.04951	6.1
121.02863	7.9
123.00840	3.2
123.04430	9.5
124.01551	5.0
125.02358	86.1
126.02744	2.8
131.03392	2.5
131.04933	2.4
133.02859	10.1
135.00809	6.6
135.02931	5.1
135.04457	8.8
137.02365	49.1
137.09660	3.2
138.03151	6.4
139.03934	8.2
145.02843	2.6
146.03653	2.7
147.00793	2.5
147.04425	5.9
148.46390	2.7
149.02402	9.5
149.04465	8.0
150.03114	2.7
151.00351	5.8
151.03932	7.5
153.01781	2.7
157.06538	3.9
159.04456	7.8
161.02386	5.2
161.04568	4.1
161.05992	4.6
162.03096	2.2
163.00296	20.2
163.03937	4.1
164.00993	3.9
165.01880	34.0
165.12776	4.5
166.02618	4.9
167.03452	65.2
168.03658	2.2
171.04512	2.4
172.05234	3.9
173.02486	2.6
173.06003	5.2
174.03116	3.6
175.03986	7.1
175.07607	2.4
176.01015	2.7
177.01889	100.0
177.05414	3.5
178.02249	5.0
178.99791	2.5
179.03470	6.4
183.04486	3.3
183.13741	4.8
185.06012	4.6
187.03946	9.2
187.07689	2.7
188.04698	3.2
191.03476	3.3
191.14542	2.8
192.00461	3.3
193.12286	5.4
195.02931	2.3
199.03944	5.1
201.05510	9.1
202.06427	2.0
203.03494	8.7
203.07053	4.7
205.05038	16.9
205.06715	3.1
209.11836	4.9
211.04024	6.2
211.13371	14.6
212.04707	3.2
213.05484	6.1
214.02509	2.6
215.03484	10.4
219.06618	3.3
227.03392	5.8
228.04211	2.4
229.01433	2.3
229.05046	19.6
231.03003	12.7
233.04535	3.3
233.06622	3.6
237.11354	2.7
238.06372	2.9
239.03554	2.4
240.04272	3.8
241.16125	2.6
245.04497	5.1
247.06104	4.8
251.16594	4.7
253.09154	4.9
254.05821	2.6
255.02982	4.2
255.12387	13.3
257.04532	10.1
257.15454	4.6
259.02310	4.1
263.05594	18.3
263.12842	7.8
265.10910	7.8
271.02451	3.4
271.06171	3.9
271.13528	2.7
273.04153	5.2
273.14868	4.5
279.08850	3.8
283.02490	5.8
283.13495	5.8
284.03076	2.2
285.14951	6.5
289.07233	8.3
293.08740	11.4
301.03589	43.9
301.14606	4.5
302.03854	5.2
309.20703	9.3
313.14456	3.0
315.05048	9.1
315.16092	2.7
325.14291	2.3
327.15994	2.8
329.14032	6.7
333.06198	76.3
334.06613	7.7
337.18011	3.3
339.07181	2.9
357.13452	17.2
359.14557	3.1
361.16934	2.5
365.17657	3.0
371.15088	5.8
377.16019	2.6
379.18683	2.3
389.16714	4.2
395.18933	3.0
407.18979	4.4
423.18231	9.0
425.15988	6.9
433.16742	5.1
443.16940	5.5
447.09497	2.3
449.16174	7.1
451.17734	42.4
452.17902	3.9
465.19080	2.9
467.16965	5.1
469.19061	2.8
469.37552	2.2
477.15582	7.9
481.18723	9.5
485.23636	3.4
485.30713	4.5
495.16769	36.5
496.16959	6.7
499.19785	11.3
500.19382	2.8
501.17255	4.9
509.18286	28.8
510.18826	3.1
513.17688	5.7
526.24402	2.5
527.19519	17.4
528.19873	3.1
545.19556	7.6
545.33984	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10714	0.3
54.65654	0.3
57.03336	100.0
58.00485	0.4
58.03674	1.7
59.01263	36.5
60.01598	0.5
69.03353	0.9
69.53269	1.2
69.53686	1.7
71.01255	3.0
72.99187	0.4
73.02840	3.5
75.00748	0.4
79.95609	0.7
81.03342	5.1
83.01286	1.4
85.02841	3.7
87.00768	1.6
87.38762	0.3
89.02342	0.7
90.95772	0.3
96.95907	24.7
99.00769	0.6
99.04414	44.3
100.04768	1.3
101.02343	23.4
102.02697	0.4
103.03971	0.3
109.02866	0.7
121.02800	0.4
122.03651	0.7
123.09582	0.3
125.02364	12.2
135.04436	2.8
143.03419	1.2
148.05247	0.5
149.06042	1.0
163.03972	0.6
166.06290	10.0
167.07109	4.1
181.08650	17.4
182.09018	0.9
195.06602	1.4
209.08049	0.4
309.13467	1.1
312.12161	3.1
313.12646	0.5
327.14529	71.6
328.14865	6.1
369.15689	2.7
383.17239	2.1
401.18228	44.2
402.18500	3.7
443.14096	0.4
443.19516	3.9
483.22107	0.5
545.22479	32.0
546.22693	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	545.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
57.03340	1.1
57.98665	0.2
58.00488	0.3
59.01262	11.0
61.98714	1.4
69.03348	0.6
71.01267	7.4
71.04916	0.5
71.56380	0.3
72.99207	0.7
73.02820	1.2
80.02572	0.4
81.03371	0.6
83.01276	1.0
83.04922	0.5
85.02847	1.8
87.00777	0.9
89.02335	6.3
95.01288	0.6
95.04913	0.5
96.95911	2.7
97.02859	0.9
97.06504	0.6
99.00846	0.3
99.04446	0.2
101.02344	7.6
109.02870	0.3
109.06496	0.5
110.03637	0.2
111.08076	1.8
113.02351	3.5
119.03412	1.6
119.04928	0.2
123.04440	0.5
123.08075	0.8
125.02366	0.7
125.05963	0.5
125.09613	1.1
127.07623	0.2
133.02869	1.3
135.08105	0.2
137.09659	0.4
141.12781	0.5
142.02750	0.2
143.03456	0.8
149.04515	0.3
151.00272	0.4
153.12787	0.6
154.95251	0.2
161.04485	3.2
161.09627	0.3
162.10414	0.2
163.11235	2.9
165.09189	0.4
165.12801	5.6
166.09889	0.4
166.13120	0.3
167.03534	0.3
167.14362	0.3
169.12326	0.7
171.10196	0.8
175.11243	0.3
177.12817	0.3
179.05550	1.2
179.14352	1.5
181.12296	2.0
183.13745	0.4
185.11818	0.6
189.12932	0.3
191.14310	0.3
193.15935	1.9
195.13892	0.3
197.11804	8.3
198.12219	0.3
199.13382	0.5
207.10141	0.3
209.11823	2.0
211.13309	1.3
220.10358	0.2
221.11833	0.5
223.13358	2.1
225.11317	0.3
227.03406	0.3
227.12793	0.3
235.08321	0.6
239.22195	0.2
247.20692	6.6
248.21053	0.5
253.09317	29.0
254.09531	1.2
263.20291	0.6
265.18225	0.4
273.18677	2.2
274.18994	0.3
291.19714	71.7
292.20032	6.8
300.02802	0.3
309.20761	100.0
310.21100	8.2
380.09113	0.3
381.09854	0.5
389.16205	0.4
485.31064	0.3
527.15002	0.3
545.30157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71006	0.2
55.01772	0.8
57.03313	0.9
58.00467	1.1
59.01261	14.4
60.94585	0.2
61.98730	0.4
69.03354	1.3
70.17410	0.2
70.45104	0.4
71.01263	10.4
72.99196	0.6
73.02837	2.1
74.00163	0.2
81.03367	0.2
83.01261	1.1
83.04906	0.8
85.02845	2.4
87.00755	1.4
89.02334	9.6
91.03929	0.2
93.06992	0.4
95.01295	0.5
96.95918	1.2
97.02841	0.4
97.06480	0.3
99.00784	0.5
101.02344	11.6
108.77206	0.2
109.06504	0.8
111.08063	19.5
112.08403	0.6
112.36588	0.2
113.02350	5.2
113.03072	0.4
115.03892	0.2
119.03409	2.9
121.06475	0.2
122.38839	0.2
124.00664	0.2
125.02364	0.5
127.07564	1.0
131.03473	0.4
136.69505	0.2
137.02391	0.3
137.09659	0.3
141.09167	0.3
143.03442	1.2
149.04500	0.3
151.11211	0.8
153.09163	0.5
153.12798	1.9
161.04492	5.6
165.12875	0.3
167.10681	0.4
169.12288	7.6
171.10237	0.3
179.05573	1.7
179.10718	1.0
181.12337	0.9
183.13890	0.8
193.12340	0.4
197.11803	91.4
198.12140	5.3
199.13377	5.8
200.13728	0.3
200.31519	0.2
209.11852	0.3
211.13374	9.3
212.13797	0.6
227.12881	2.7
230.11516	0.3
230.63631	0.2
235.08235	0.7
247.17084	0.5
247.20767	0.5
253.09311	48.3
254.09639	2.2
263.20193	4.4
264.20401	0.3
265.18106	2.6
266.18402	0.2
273.18628	1.3
291.19714	25.8
292.20078	1.9
300.02731	0.3
309.20755	100.0
310.21127	8.9
320.07318	0.2
381.09280	0.3
433.20892	0.8
447.09607	0.2
484.98807	0.2
527.15186	0.3
527.28760	0.4
545.16760	0.4
545.29694	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42913	0.4
55.01771	0.5
57.03345	0.6
59.01263	43.1
60.01610	0.4
61.98720	2.4
63.87827	0.4
69.03356	0.8
69.74347	1.8
69.74760	0.7
71.01267	5.3
72.99210	0.5
73.02866	1.1
75.00834	0.4
79.95644	0.6
80.96426	0.4
83.01295	0.9
83.04910	0.6
85.02872	1.4
87.00787	1.0
89.02332	5.2
91.36367	0.4
95.01288	0.5
95.04966	0.6
96.95908	3.7
97.02878	0.4
97.06501	1.5
101.02343	6.0
101.02942	0.6
111.08034	0.8
113.02357	2.5
113.09664	1.6
115.07585	1.0
119.03438	1.4
119.04955	0.6
125.09662	0.5
130.80157	0.4
137.02354	0.6
141.09138	0.9
147.02946	0.4
149.09624	0.5
151.11366	0.6
153.12810	0.4
161.04488	2.4
165.12752	2.5
167.14349	1.5
179.05643	1.0
179.14398	0.6
180.11485	0.4
181.12308	2.4
183.13986	0.5
185.11781	0.8
193.12312	0.9
193.15877	0.6
195.13922	1.9
209.11761	0.9
211.13354	2.8
213.14995	0.6
221.15535	2.1
229.14470	0.7
240.13747	0.7
241.14447	0.6
247.20695	2.9
251.71654	0.4
253.09320	20.9
254.09555	0.8
263.20099	0.5
265.21689	0.9
273.18744	2.4
281.21320	1.6
289.17889	0.6
291.19714	31.1
292.20084	2.5
309.20764	100.0
310.21088	8.6
337.42917	0.5
359.75003	0.4
476.22891	0.4
485.28879	1.0
513.27081	1.0
545.29712	18.6
546.29926	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
57.03342	1.0
58.00482	0.4
59.01263	7.8
61.98719	0.6
69.03336	0.3
70.87648	0.6
71.01266	5.5
71.04911	0.8
72.99192	0.2
73.02828	0.8
78.95820	0.2
81.03379	0.3
83.01283	0.7
83.04935	0.3
84.04816	0.2
85.02828	1.3
85.06504	0.2
87.00774	0.7
89.02333	4.6
91.03903	0.2
92.99350	0.2
95.01305	0.6
95.04913	0.4
96.95902	0.8
97.02848	0.7
97.06476	1.4
98.03642	0.2
99.00790	0.4
99.04446	0.3
101.02340	6.4
111.08060	1.1
113.02338	2.9
113.05968	0.3
113.09623	1.6
115.07577	1.0
119.03414	1.3
121.06507	0.2
121.10143	0.3
123.08082	0.2
125.02332	0.4
125.06034	0.4
126.06734	0.4
127.07549	0.2
131.03391	0.3
133.02884	0.3
133.05020	0.2
137.09654	0.3
139.11215	0.6
141.09106	1.1
143.03372	0.5
151.11261	0.5
153.12790	0.3
154.09943	0.2
155.10677	0.4
161.04503	2.7
163.11232	0.5
165.12775	2.5
167.10736	0.5
167.14366	1.3
171.10188	0.5
175.11252	0.3
177.12784	0.3
179.05569	0.6
179.14389	0.4
181.12299	2.5
183.13849	0.8
193.12303	1.2
193.15984	0.4
195.13847	1.8
197.11784	2.1
209.11839	0.3
209.56955	0.2
211.13347	3.0
213.14996	0.6
221.15462	1.9
229.14517	1.0
229.19540	0.2
231.17413	0.3
235.08174	0.6
239.12875	0.3
240.13683	0.7
241.14452	0.7
247.20689	3.3
247.85344	0.2
249.18617	0.2
253.09309	20.7
254.09654	0.8
255.15999	0.2
263.20139	0.7
265.21689	0.4
273.18619	2.4
281.21170	1.6
291.19708	33.2
292.20013	3.4
309.20758	100.0
310.21103	7.9
311.22437	0.6
463.26212	0.2
545.29846	16.6
546.30060	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03325	2.1
58.00476	1.0
59.01264	26.3
60.27023	0.5
61.98478	0.6
61.98719	6.1
62.64512	0.5
62.81790	0.5
63.92295	0.5
69.03330	0.6
70.71293	0.5
71.01266	13.2
71.04922	0.6
71.49700	0.9
72.99171	0.8
73.02833	2.9
75.00751	1.0
79.68913	0.6
83.01266	1.2
83.04916	1.1
85.02838	3.2
87.00770	1.9
87.04377	0.6
89.02338	12.2
95.01304	0.9
96.95906	9.0
97.02874	1.2
97.06512	0.9
99.00773	1.4
99.04405	0.8
101.02341	12.7
109.06477	1.1
109.39790	0.6
111.08061	11.9
112.08429	0.7
113.02367	5.3
119.03412	2.7
119.04875	0.5
125.02360	2.1
127.07541	1.1
130.04147	0.6
131.03398	1.1
133.02858	2.9
135.04436	0.6
137.02347	1.2
137.09650	1.0
143.03404	1.6
149.04501	2.3
151.00298	1.5
153.12779	0.7
161.04494	5.0
165.01791	1.2
167.03484	0.7
169.12263	4.0
171.10190	2.3
178.99791	1.2
179.05530	1.9
179.10725	0.7
181.12265	1.8
183.13860	1.2
185.11588	0.6
193.12267	0.8
195.13904	2.9
197.11809	45.8
198.12157	2.4
199.13467	3.3
209.11873	2.9
211.11473	0.5
211.13359	14.3
221.15536	1.0
223.13361	1.0
223.16982	1.2
227.12863	1.2
229.19540	0.6
233.15392	1.2
235.08191	1.1
237.49646	0.7
247.20618	0.8
251.16589	5.4
252.16811	0.7
253.09317	48.3
254.09541	1.9
255.03006	0.8
263.20276	3.4
265.18069	1.0
271.02512	1.0
273.18723	1.6
291.19720	32.2
292.20007	2.0
293.08868	0.6
293.26926	0.6
300.02765	0.8
309.20764	100.0
310.21133	7.6
326.91183	0.6
333.06250	0.8
389.16339	0.8
391.04578	0.7
447.09271	1.1
485.29770	1.8
527.29071	0.9
545.30988	12.3
546.31476	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	545.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
58.00461	0.2
59.00962	0.2
59.01267	4.2
61.87830	0.1
61.98714	1.3
62.24548	0.1
69.03349	1.1
69.69744	0.6
69.70158	0.4
71.01266	1.5
71.04910	1.5
72.99187	0.3
73.02836	0.7
75.00730	0.2
81.03391	0.2
83.01272	0.3
83.04918	0.3
85.02834	0.4
87.00739	0.2
89.02338	1.4
93.03369	0.2
95.04909	0.2
96.95910	2.0
97.02845	0.5
99.00793	0.3
101.02361	0.9
107.04910	0.5
109.02853	0.3
111.04416	0.1
113.02345	0.4
119.03417	0.3
121.06490	0.1
123.04397	0.2
125.02370	0.9
130.08716	0.2
131.03413	0.6
133.02885	0.5
135.04448	0.4
137.02391	0.8
142.19138	0.2
149.04520	0.8
151.00247	0.2
151.03938	0.4
161.04539	0.3
165.01909	0.4
167.03487	0.2
175.03886	0.2
177.01855	0.3
179.03551	0.2
179.05525	0.3
185.00864	0.8
191.05553	0.5
209.11810	0.3
230.25922	0.2
253.09380	0.2
257.04602	0.2
267.65756	0.2
271.02551	0.2
283.02261	0.2
289.07214	0.5
300.02722	0.4
301.03546	0.5
303.01080	0.2
305.19788	0.2
309.20630	0.3
333.06168	0.3
349.25409	0.2
359.23724	0.3
359.27795	0.2
361.25339	0.9
362.25525	0.2
363.26929	0.3
365.28375	0.3
375.27075	1.2
376.27234	0.2
377.24747	0.2
377.28665	1.6
380.09125	0.3
381.10056	0.3
381.24414	0.5
391.26416	0.2
393.28018	0.6
395.29654	0.2
403.26422	0.5
405.24420	0.5
407.29709	0.5
409.27637	1.0
419.26025	1.0
421.27585	3.8
422.27887	0.7
423.25479	0.4
433.27444	0.7
434.27682	0.2
435.29199	2.3
436.29440	0.3
437.27264	0.8
439.28583	0.2
447.09286	0.2
451.18121	0.3
451.28433	0.8
453.30206	0.5
463.24777	0.3
465.26465	2.4
466.26883	0.5
479.28140	6.3
480.28302	1.0
483.27899	0.2
485.23508	0.1
485.29407	1.2
486.29623	0.3
495.27515	0.3
501.32306	0.3
512.08417	0.2
527.16125	0.5
527.30249	8.5
528.30414	1.6
545.31305	100.0
546.31641	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	545.3495
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01263	100.0
60.01593	0.8
60.49149	0.1
61.36034	0.1
61.98727	0.2
66.54721	0.1
70.88016	0.3
81.28880	0.1
89.01159	0.1
240.84021	0.1
290.55948	0.1
335.74432	0.1
366.08536	0.1
451.05273	0.1
485.32733	0.6
545.35101	1.3
546.35498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3498
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.00825	0.2
58.44774	0.1
59.01264	100.0
60.01594	1.0
61.98726	0.3
63.31007	0.1
68.98388	0.1
69.85770	0.6
69.86184	0.4
73.02834	0.4
76.43726	0.2
77.14177	0.2
87.24663	0.2
91.34575	0.2
96.27989	0.1
96.95925	0.7
103.54640	0.1
170.13258	0.2
242.43434	0.2
249.18739	0.6
253.09203	0.2
321.58612	0.2
390.02676	0.2
439.32178	0.4
470.32849	0.2
485.32834	15.4
486.33173	2.6
487.34708	0.4
491.27747	0.2
545.14832	0.8
545.35712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3497
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.17515	0.2
58.13026	0.2
59.01263	100.0
59.28539	0.2
60.01603	1.3
69.94730	0.2
72.24030	0.2
78.95786	0.2
84.32303	0.2
86.28842	0.2
87.47432	0.2
88.82248	0.2
96.95914	0.3
98.20597	0.6
100.59180	0.2
118.00632	0.2
315.12762	0.2
343.01059	0.2
348.26416	0.7
423.33041	0.2
432.54031	0.2
485.33078	0.4
545.35229	3.3
546.35638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20919	0.2
53.68868	0.2
59.01264	100.0
60.01598	1.1
61.98725	0.9
69.03341	0.3
70.73223	0.3
70.73558	0.6
71.01273	2.3
73.02853	0.5
79.95663	0.3
80.96424	0.4
83.01324	0.3
84.61757	0.2
85.02843	0.8
89.02345	0.8
94.68152	0.3
96.95924	3.1
99.00771	0.3
101.02351	1.6
113.02367	0.8
114.91591	0.3
121.02909	0.5
125.02409	0.6
137.02357	0.5
150.19870	0.2
159.02956	0.3
161.04514	0.9
165.01981	0.3
202.58821	0.2
211.13420	0.7
271.02509	0.3
290.18393	0.4
291.19357	0.6
307.19098	0.3
308.19583	0.3
309.20926	1.1
467.31873	0.3
485.31400	0.3
503.80197	0.2
516.16254	0.3
545.29065	0.8
545.35272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22906	1.9
51.23181	1.7
59.01261	100.0
59.96135	1.8
61.98710	4.0
69.68608	15.7
71.13795	2.1
83.00214	1.9
96.95898	5.2
143.47884	2.1
384.60513	2.2
455.31696	6.2
456.31985	2.6
485.32776	14.9
496.29343	2.3
506.99219	2.3
545.28534	24.3
546.28705	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	546.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61311	0.2
59.01265	1.1
61.98707	0.4
71.56994	0.4
71.57340	0.2
78.95790	6.4
124.00700	0.2
132.89787	0.2
140.01099	2.0
150.56982	0.2
152.99501	0.8
159.57703	0.2
196.03795	1.1
209.11963	0.3
214.04822	2.6
274.17322	0.2
314.74609	0.2
316.01385	0.2
349.27515	100.0
350.27872	11.2
350.32272	0.3
357.25894	0.2
546.32104	13.2
547.32330	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	547.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
57.23932	0.4
58.00465	0.6
59.01263	12.5
59.35893	0.4
60.75043	0.4
61.98735	0.4
65.55911	0.3
67.01771	0.6
69.03359	0.5
70.97726	1.0
71.01269	17.5
72.99201	2.1
73.02841	1.2
75.00757	0.8
79.95624	0.5
82.24179	0.4
83.01274	4.6
84.01604	0.4
85.02840	3.6
87.00768	32.7
88.41666	0.4
89.02329	1.1
91.68655	0.4
96.23975	0.4
96.95906	31.8
99.00786	1.0
101.02345	1.5
111.00777	7.5
112.98710	0.6
113.02345	2.3
113.55712	0.4
115.00280	53.8
116.00603	1.1
122.06025	0.6
125.02344	0.5
127.00291	1.4
129.01805	0.4
131.03450	0.6
135.02917	0.5
139.00298	14.5
150.74133	0.4
151.00313	0.5
157.01361	30.3
158.01744	0.9
161.04558	0.5
163.93405	0.4
166.70175	0.4
167.17235	0.4
174.01648	0.6
175.02429	100.0
176.02750	2.9
179.05557	0.5
204.06738	0.5
238.07576	0.5
251.08235	0.5
252.10379	0.5
259.84671	0.4
267.11359	0.8
271.02689	0.4
280.08524	2.0
281.08978	0.7
295.10892	5.2
297.12430	0.6
309.12427	0.9
323.10388	0.8
325.12061	1.8
327.13513	4.2
328.13797	0.4
339.09857	1.3
341.11526	0.6
353.11423	1.6
355.12985	0.5
369.10944	0.6
371.12518	11.1
372.12888	1.0
391.13113	1.8
397.10355	0.9
399.11777	0.9
401.13492	2.0
402.13791	0.5
409.14041	0.6
425.13821	0.5
429.13040	5.0
431.14554	2.0
435.12000	1.3
443.14395	0.9
449.13306	0.5
453.13202	0.9
467.14658	6.5
468.15033	0.6
485.15741	11.6
486.15955	1.8
487.13589	4.2
488.13986	0.9
499.13565	0.7
511.13821	1.9
529.15149	1.1
547.15814	2.7
547.23474	1.2
551.42352	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67503	0.4
57.03337	0.8
59.01262	13.0
67.01762	0.6
69.58656	2.9
71.01269	19.9
72.01638	0.4
72.99187	1.7
73.02834	1.9
75.00757	0.5
83.01272	6.1
85.02836	3.0
87.00770	40.8
89.02350	1.0
96.95917	5.8
99.00779	0.6
101.02350	0.7
109.02882	0.4
110.56709	0.4
111.00786	8.0
112.98703	1.0
113.02348	2.3
115.00283	62.2
116.00617	1.5
119.03380	0.5
122.05983	0.4
127.00313	1.5
130.91698	0.5
135.02963	0.4
135.04494	0.6
139.00307	16.5
157.01366	28.8
158.01698	0.8
161.02374	0.5
161.04402	0.6
163.53114	0.4
172.03954	0.5
175.02432	100.0
176.01381	0.5
176.02774	2.9
202.05003	0.5
251.08307	0.6
252.09119	0.6
253.09885	1.0
267.11465	1.5
271.02612	0.4
279.07962	1.0
280.08542	3.1
281.09155	0.6
283.11026	0.5
294.10251	0.7
295.10928	7.7
295.14090	0.9
296.11246	0.8
297.12531	1.2
299.02118	0.5
301.03757	0.5
309.12399	0.8
316.53851	0.5
325.12170	2.2
327.13541	3.6
328.13693	0.6
339.09921	3.4
353.11435	1.9
355.12833	0.6
369.10809	0.8
371.12576	10.6
385.14029	0.8
391.13065	1.2
397.10388	2.1
399.12082	1.3
401.13495	1.5
413.13779	0.5
429.13034	5.1
431.14447	1.2
435.11975	1.4
443.14630	1.2
449.13574	0.5
457.16434	0.6
466.61475	0.6
467.14771	6.4
468.15167	1.0
485.15735	10.1
486.16037	1.6
487.13641	3.8
499.14023	0.8
511.13681	1.4
529.14496	0.8
547.15405	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.4
58.00483	0.8
59.01260	14.4
69.03307	0.7
70.88290	1.9
71.01267	19.1
72.01593	0.7
72.99190	2.7
73.02830	1.8
75.00764	1.1
79.95608	1.2
83.01269	5.5
85.02837	3.3
87.00767	29.5
89.02332	1.5
96.95911	46.1
97.02807	0.9
99.00808	1.1
101.02343	2.6
106.51754	0.6
107.01360	0.7
109.02856	0.7
111.00780	7.7
112.98704	0.9
113.02374	4.2
115.00281	61.2
116.00631	1.3
119.03411	0.8
125.02381	0.8
127.00287	1.8
135.02921	1.6
135.04454	0.8
139.00291	15.9
140.00720	0.8
156.71205	0.5
157.01358	27.6
158.01772	1.1
161.04541	0.6
175.02434	100.0
176.02777	2.8
179.05498	0.7
203.01828	0.6
204.06604	0.7
267.11472	1.4
280.08606	1.9
281.09241	0.8
295.10938	6.6
297.12494	0.7
323.10645	0.8
325.11951	1.7
327.13571	4.7
339.09906	1.3
353.11603	1.8
355.13104	0.9
357.09842	0.8
371.12457	9.0
372.12790	1.1
391.13022	1.8
397.10593	0.8
399.12006	1.3
401.13745	1.3
429.13153	4.6
431.14899	0.9
435.12030	1.3
443.14545	1.1
467.14917	5.2
468.15106	1.0
485.15814	12.6
486.16019	1.4
487.13904	3.5
511.13446	0.8
547.15948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
61.98717	14.4
67.30717	0.7
69.70984	2.2
69.71402	2.8
71.01264	1.6
71.04906	2.3
73.02856	1.1
82.61325	0.8
85.02857	1.2
94.17020	0.8
96.95928	1.2
109.02888	1.0
134.98672	0.9
145.97380	0.7
150.30374	0.7
177.58958	0.8
189.01985	1.5
194.30008	0.9
213.18341	0.8
217.01573	2.0
231.13864	1.3
253.09447	2.2
257.15573	0.8
293.21442	0.9
293.46622	0.9
311.22336	4.3
312.22366	1.1
339.20001	0.8
395.25983	1.0
409.27597	3.7
421.27795	1.1
423.25427	5.5
424.26147	1.0
427.28555	5.0
428.28845	1.2
439.28610	62.8
440.28857	9.0
457.29672	54.0
458.30014	8.6
487.30835	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	547.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.3
59.01262	100.0
60.01605	0.7
61.98722	0.2
64.08378	0.2
69.03374	0.2
69.71437	1.0
71.01273	0.5
71.04892	1.1
72.99205	0.3
73.02821	0.3
83.04909	0.2
85.02838	0.3
98.03638	0.2
98.19807	0.4
109.06470	0.2
120.36647	0.2
147.08098	0.4
155.10703	0.2
219.13853	0.2
231.13768	0.2
245.93921	0.2
277.55719	0.2
277.58868	0.2
281.24097	0.2
281.80954	0.2
393.24335	0.2
395.25888	0.4
399.25330	0.3
409.27591	1.6
410.27734	0.3
411.29071	1.6
421.27478	0.6
423.29642	1.5
433.27881	0.3
437.26834	0.3
439.28601	27.4
440.28976	4.4
441.30176	2.6
442.30435	0.3
443.39664	0.2
451.28656	2.8
452.29022	0.6
453.26514	2.5
453.51859	0.2
454.26599	0.3
457.29575	0.8
467.28680	0.2
469.29678	11.1
470.30066	1.4
487.30771	3.2
488.31036	0.5
547.26239	0.2
547.33002	2.3
548.33331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
57.25985	0.1
59.00959	0.2
59.01260	3.9
61.98721	1.6
64.18697	0.2
69.03345	0.3
71.01271	1.2
71.04898	1.0
72.39754	0.1
72.99187	0.2
73.02827	1.1
75.00765	0.3
78.40782	0.1
81.03336	0.2
83.01275	0.3
85.02832	0.6
87.00755	0.3
88.98683	0.2
89.02321	1.2
93.03332	0.2
96.95918	0.7
97.02809	0.2
98.95527	0.3
99.00778	0.3
99.04430	0.4
101.02361	0.8
109.02858	0.4
109.06431	0.2
113.02364	0.4
115.00301	0.2
119.03468	0.2
119.04985	0.9
120.05157	0.2
121.06519	0.2
123.04430	0.2
123.08103	0.2
125.02375	0.9
131.03453	0.1
133.02872	0.2
135.02917	0.3
135.04430	1.8
135.08061	0.2
137.02348	0.4
139.00325	0.2
139.03978	0.2
149.04495	0.4
151.00378	0.4
151.03909	0.3
152.01097	0.3
161.02388	0.3
161.04469	0.3
161.09543	0.2
163.03940	0.9
165.01819	0.2
167.03458	0.4
175.02432	0.3
175.11304	0.2
177.01917	0.5
178.99806	0.3
179.03444	1.1
189.01891	0.3
191.05634	0.2
208.06143	0.1
209.51772	0.1
216.39804	0.1
217.01422	0.5
278.77057	0.1
285.04135	0.4
313.10947	0.6
349.25739	0.4
361.25540	0.9
363.27145	0.2
365.28680	0.3
367.26273	0.2
375.27084	0.4
377.28589	2.9
378.28879	0.4
379.26221	0.2
379.30402	0.3
383.29803	0.2
389.28943	0.2
393.27975	1.0
395.29706	1.4
397.27698	0.2
403.26733	0.2
405.28189	0.8
407.29767	1.1
409.27563	0.2
411.29105	0.7
413.30765	0.2
417.28046	0.4
419.11520	0.2
421.27536	2.3
422.27875	0.2
423.29172	1.2
425.30869	0.7
433.28030	0.2
435.29099	2.0
436.29297	0.3
437.26532	0.7
438.27399	0.2
439.28629	0.6
441.30112	0.5
449.27054	0.6
451.28827	0.3
453.30286	1.4
455.31781	0.2
467.28140	0.3
469.30023	0.2
481.29773	0.9
487.31009	1.5
503.30099	0.3
529.31805	7.9
530.32196	1.4
547.32910	100.0
548.33295	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	547.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
57.25985	0.1
59.00959	0.2
59.01260	3.9
61.98721	1.6
64.18697	0.2
69.03345	0.3
71.01271	1.2
71.04898	1.0
72.39754	0.1
72.99187	0.2
73.02827	1.1
75.00765	0.3
78.40782	0.1
81.03336	0.2
83.01275	0.3
85.02832	0.6
87.00755	0.3
88.98683	0.2
89.02321	1.2
93.03332	0.2
96.95918	0.7
97.02809	0.2
98.95527	0.3
99.00778	0.3
99.04430	0.4
101.02361	0.8
109.02858	0.4
109.06431	0.2
113.02364	0.4
115.00301	0.2
119.03468	0.2
119.04985	0.9
120.05157	0.2
121.06519	0.2
123.04430	0.2
123.08103	0.2
125.02375	0.9
131.03453	0.1
133.02872	0.2
135.02917	0.3
135.04430	1.8
135.08061	0.2
137.02348	0.4
139.00325	0.2
139.03978	0.2
149.04495	0.4
151.00378	0.4
151.03909	0.3
152.01097	0.3
161.02388	0.3
161.04469	0.3
161.09543	0.2
163.03940	0.9
165.01819	0.2
167.03458	0.4
175.02432	0.3
175.11304	0.2
177.01917	0.5
178.99806	0.3
179.03444	1.1
189.01891	0.3
191.05634	0.2
208.06143	0.1
209.51772	0.1
216.39804	0.1
217.01422	0.5
278.77057	0.1
285.04135	0.4
313.10947	0.6
349.25739	0.4
361.25540	0.9
363.27145	0.2
365.28680	0.3
367.26273	0.2
375.27084	0.4
377.28589	2.9
378.28879	0.4
379.26221	0.2
379.30402	0.3
383.29803	0.2
389.28943	0.2
393.27975	1.0
395.29706	1.4
397.27698	0.2
403.26733	0.2
405.28189	0.8
407.29767	1.1
409.27563	0.2
411.29105	0.7
413.30765	0.2
417.28046	0.4
419.11520	0.2
421.27536	2.3
422.27875	0.2
423.29172	1.2
425.30869	0.7
433.28030	0.2
435.29099	2.0
436.29297	0.3
437.26532	0.7
438.27399	0.2
439.28629	0.6
441.30112	0.5
449.27054	0.6
451.28827	0.3
453.30286	1.4
455.31781	0.2
467.28140	0.3
469.30023	0.2
481.29773	0.9
487.31009	1.5
503.30099	0.3
529.31805	7.9
530.32196	1.4
547.32910	100.0
548.33295	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	547.3288
Annotation	Quadrangularic acid F
Peak:m/z	Relative Intensity
53.77834	0.2
57.03336	0.4
59.01264	8.8
61.98722	2.0
71.01257	0.7
71.04900	1.1
73.02825	0.8
77.55359	0.2
78.95810	0.5
85.02875	0.4
92.09618	0.3
98.19823	0.5
101.02367	0.5
121.02890	0.3
125.02335	0.6
137.02296	0.3
175.11295	0.3
189.01903	0.6
211.27142	0.2
217.01364	1.0
229.70796	0.4
320.34497	0.3
327.05115	0.6
361.25305	0.7
365.28680	0.5
375.27130	0.4
377.28537	2.3
378.28848	0.3
379.26480	0.5
390.25714	0.3
391.26321	0.5
393.27704	0.5
395.29730	1.8
405.28049	0.6
407.29578	1.0
409.27368	0.3
411.29205	0.5
421.27676	2.1
422.27994	0.3
423.29053	1.0
424.29971	0.3
425.30804	0.8
435.29166	1.8
436.29175	0.4
437.27283	0.6
439.28503	0.6
441.30161	0.5
449.26810	0.5
451.28589	0.5
453.30234	0.9
469.29483	0.5
481.29819	0.7
487.31033	1.3
503.64813	0.3
529.18201	0.4
529.31818	9.0
530.32269	1.7
547.32880	100.0
548.33252	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72083	0.2
55.81034	0.1
59.01263	100.0
60.01600	1.0
61.98725	0.3
79.99215	0.2
229.64981	0.2
276.49472	0.2
297.34174	0.2
547.36633	0.4
568.36792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83186	2.5
59.01250	8.4
71.12418	5.6
74.22138	2.4
78.93617	2.4
124.42795	2.4
237.81831	2.4
487.34402	100.0
488.34961	17.5
489.35239	8.9
547.30219	92.5
548.30322	15.4
554.75488	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01600	0.9
60.02656	0.1
66.94496	0.1
69.45197	0.4
69.45612	0.9
73.72706	0.2
100.39509	0.1
101.76707	0.1
120.40660	0.1
121.28462	0.1
130.55255	0.1
146.79939	0.1
195.96205	0.1
277.99200	0.1
339.08691	0.1
487.34341	0.2
547.36523	6.8
548.36896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01593	1.0
61.98721	1.2
68.08279	0.4
71.57757	0.7
75.00768	0.5
78.95837	0.6
152.99539	1.4
186.15422	0.4
221.95934	0.4
467.85446	0.5
547.28772	0.9
547.36273	4.4
548.37158	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44660	0.3
57.46950	0.3
59.01263	44.7
60.01596	6.4
61.01688	6.2
61.98716	100.0
62.02026	0.4
71.49871	0.4
71.50213	0.4
78.95807	0.6
80.96387	0.3
85.02859	0.3
121.92079	0.3
123.28802	0.3
146.41570	0.3
146.44432	0.3
147.63231	0.3
152.99519	1.4
237.27243	0.3
266.64600	0.3
454.59271	0.3
470.32419	0.4
488.33484	0.5
548.31769	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	549.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.4
59.01262	9.1
61.98702	1.4
63.02270	2.1
65.00198	4.3
69.03323	0.9
71.01261	6.6
71.04924	0.7
71.57722	0.9
72.99187	2.2
73.02845	1.6
81.03360	0.7
83.01277	3.3
83.04936	1.0
85.02834	6.2
87.00764	1.7
89.02354	3.3
93.03350	4.1
96.95911	4.8
97.02837	0.8
98.95489	0.8
99.00753	1.0
101.02357	3.8
107.01292	8.3
108.02078	2.0
109.02837	2.8
111.04429	1.8
113.02339	2.0
116.92764	1.1
119.03407	1.6
119.04937	2.0
119.72051	0.8
121.02859	2.8
124.01574	1.5
125.02376	6.5
128.03450	0.7
131.03360	0.8
133.02885	1.0
134.03621	1.2
135.02905	2.6
135.04417	2.3
137.02379	2.2
143.04497	0.8
148.01613	1.0
149.04506	1.2
150.99139	1.4
151.00308	24.1
151.01532	1.3
151.03983	0.7
152.00954	2.5
155.03398	2.4
161.02348	0.8
161.04509	1.7
163.00317	3.2
163.03984	1.4
164.01071	1.4
166.02626	1.0
166.05026	1.5
169.01376	3.1
173.04512	8.5
174.04710	0.7
177.01828	1.0
178.99800	14.5
179.03357	1.3
179.05620	0.9
183.04433	1.1
191.05547	5.4
193.01317	1.0
193.05000	0.9
211.04036	1.5
211.55449	0.6
214.69997	0.7
215.03566	0.8
225.05617	5.2
226.02623	1.4
227.03482	4.0
229.05064	0.8
231.03207	0.8
243.03011	11.6
244.03619	0.8
254.02165	1.1
255.03020	26.1
256.03290	2.4
271.02521	54.8
272.02933	6.4
283.02585	1.3
287.01968	1.7
299.02197	1.2
300.02795	100.0
301.03513	47.9
302.03738	3.5
306.07620	2.6
311.10477	1.8
315.01544	1.5
316.02322	1.8
331.05908	0.8
343.01257	0.9
344.02621	1.1
345.03824	1.3
355.09366	1.1
367.02823	35.0
367.53018	9.5
368.03253	1.9
369.10663	2.0
370.36459	0.7
373.03668	0.8
387.10959	1.5
391.04449	0.9
417.02496	2.3
419.04092	1.0
440.05756	6.2
440.55774	1.4
461.07626	0.8
462.05170	0.8
463.03421	1.3
463.08957	4.6
487.31055	1.1
489.15256	1.1
505.09976	90.0
506.10236	12.2
534.13599	0.7
549.17358	2.2
549.31635	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28461	0.2
57.17292	0.2
59.01261	6.5
61.98716	0.8
69.32018	2.1
77.03851	1.8
86.90224	0.2
93.03380	0.3
98.19823	0.4
103.56741	0.2
121.02871	100.0
122.03216	3.4
127.71879	0.2
137.02397	0.2
147.04451	0.3
149.02473	0.2
153.63435	0.2
165.01883	53.9
166.02240	1.8
180.05783	0.6
181.06554	3.0
182.06902	0.3
191.82173	0.2
197.06055	2.1
207.04361	1.0
207.08250	0.3
223.03860	0.3
225.05553	1.5
251.07190	0.3
257.09726	1.1
285.09302	0.3
313.07288	1.4
329.08026	0.2
340.11182	0.2
357.06177	0.8
383.07590	0.5
407.66766	0.2
417.09903	1.7
418.10129	0.3
489.32669	0.6
503.34061	0.5
505.11389	1.7
506.11835	0.3
549.10486	30.8
550.10822	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78306	0.4
51.02338	0.4
55.01768	0.9
57.03335	50.6
58.03674	0.5
59.01262	100.0
60.01583	2.2
61.01677	0.6
61.98726	2.3
69.03339	14.6
71.01269	13.3
71.04911	0.4
71.36283	0.9
72.99194	0.6
73.02822	3.7
75.00745	0.6
78.95789	2.1
79.01756	2.1
80.96405	2.7
81.03332	2.7
83.01277	3.1
83.01708	0.4
83.04884	0.4
85.02837	9.4
85.99971	0.7
87.00789	1.4
89.02346	2.1
94.98003	0.7
95.01289	4.2
96.95910	1.1
97.02838	9.0
99.00786	1.7
99.04414	42.8
100.04733	0.8
101.02345	19.1
107.01286	9.6
108.02073	24.5
109.02925	0.8
111.00761	0.7
113.01624	0.7
113.02347	8.3
119.03436	0.5
121.02869	1.0
123.00783	2.4
125.02361	58.2
126.02692	1.8
135.00798	40.1
135.04460	0.8
136.01157	1.5
137.02361	1.2
143.03441	4.2
151.00307	5.6
152.01085	70.7
152.98505	0.5
152.99570	3.6
153.01430	2.8
159.02919	0.6
161.02414	0.5
161.04472	3.4
164.98576	0.5
177.01909	0.8
179.03442	0.4
185.15433	0.6
197.06084	0.9
215.07278	0.4
225.00780	1.3
242.05852	6.0
243.06633	95.2
244.06960	7.3
269.08206	0.9
285.07709	1.0
297.24316	0.5
299.25909	1.6
315.80795	0.4
345.30161	5.5
387.05820	0.7
387.10907	13.4
388.11047	1.2
405.11981	9.6
406.12381	1.0
425.32614	0.5
441.32227	0.6
447.13007	1.9
459.33588	0.9
461.31848	0.5
463.20956	1.5
471.31668	0.5
487.32483	0.5
488.33325	3.1
489.34384	31.8
490.34302	1.5
505.32086	0.5
506.33997	1.5
507.35443	13.1
549.19781	3.4
549.30334	1.6
550.19812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04303	0.7
59.01263	4.2
66.03848	0.7
69.87640	4.2
71.01279	4.1
72.99194	1.8
73.02843	0.8
85.02838	2.3
87.00782	0.8
89.02323	1.4
90.39189	0.7
96.95930	1.8
99.00785	2.0
101.02369	1.1
103.59524	0.7
104.80406	0.8
111.00785	2.4
113.02370	1.2
115.00266	1.6
122.06037	3.4
125.02382	2.1
126.39467	0.7
144.04555	1.2
146.06041	1.5
150.05481	1.4
151.00322	1.6
159.02934	1.1
160.03931	1.2
172.03976	3.0
174.05493	1.8
175.02551	1.3
176.07133	1.5
178.99902	1.0
190.05014	1.6
193.04990	1.1
202.05086	1.2
204.06668	6.1
213.06198	0.8
216.06665	1.2
229.04167	0.8
232.06071	1.3
238.11087	0.9
239.08235	0.9
241.09995	1.1
248.05597	1.7
251.11946	0.7
253.09862	0.9
253.13495	3.8
254.11707	1.1
255.11583	0.9
256.75900	0.8
267.07840	1.7
268.08844	1.1
269.09265	1.2
269.12952	1.0
280.08844	1.3
281.09250	2.1
281.12411	1.0
282.09952	1.3
283.10971	2.3
293.09409	0.9
295.10986	3.2
296.11673	1.8
297.12512	14.7
298.12869	1.1
309.12390	4.2
311.14102	1.3
321.04489	1.7
321.12195	0.9
323.10376	3.1
323.13831	1.2
325.12012	9.4
326.12427	1.0
335.10541	2.1
337.12170	1.5
339.13702	6.1
347.10614	0.9
351.09842	1.2
353.11484	6.1
355.13022	12.7
356.13181	1.4
363.13470	1.0
365.11505	1.0
367.13104	2.0
369.10834	2.9
373.13968	0.9
377.11490	1.3
383.12692	1.7
387.15323	1.3
393.14624	1.1
397.10547	2.8
399.12119	4.1
401.13541	3.0
413.12958	0.9
429.13080	5.2
431.14487	4.6
447.14258	1.6
455.15277	0.8
459.13965	0.8
483.69479	0.8
487.17194	1.0
513.15387	1.5
517.14917	1.2
531.16418	1.4
549.17407	100.0
550.10504	1.5
550.17950	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	549.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26694	0.3
59.01262	100.0
60.01608	1.0
61.98714	3.1
71.01276	1.3
71.04906	0.5
71.56445	0.4
73.02850	0.6
75.00784	0.4
78.95794	0.5
85.02885	0.5
89.02365	0.4
96.95924	0.7
99.04449	0.8
101.02362	0.8
113.02348	0.6
119.90734	0.3
134.67598	0.3
135.02940	1.2
143.86052	0.3
152.99570	0.3
207.25644	0.4
241.39604	0.3
255.17737	0.6
387.25568	1.2
405.27380	0.3
423.29938	0.5
453.30475	0.5
455.31638	1.7
471.31296	3.5
472.31931	0.5
487.30902	0.4
489.32538	5.8
490.32910	0.7
503.33878	0.8
549.30914	1.6
550.33710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80601	0.2
57.03347	0.2
57.30828	0.1
57.65979	0.2
59.01262	100.0
60.01610	0.6
61.98714	10.6
71.01264	1.4
71.04921	0.7
73.02856	0.4
75.00768	0.3
78.95805	0.5
84.99528	0.2
85.02853	0.7
87.04414	0.2
89.02347	0.3
89.36638	0.2
95.01295	0.2
96.95904	1.2
98.20556	0.5
99.00768	0.2
101.02363	0.7
107.41749	0.2
112.03679	0.2
113.02360	0.5
115.03851	0.2
125.02354	0.3
135.02960	0.5
135.04482	0.2
137.02385	0.4
143.03497	0.2
152.99567	0.6
159.02962	0.3
161.19241	0.2
221.98871	0.2
229.61098	0.2
339.23590	0.2
345.30255	0.5
387.25620	0.5
399.25320	0.2
423.29333	0.8
455.31937	0.8
471.31253	1.6
489.33167	3.0
490.33749	0.3
507.35498	1.2
508.68298	0.2
549.31360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01262	100.0
60.01608	0.9
61.98713	1.2
71.01263	0.9
71.04923	0.4
73.02833	0.3
75.00774	0.5
78.95797	0.4
83.01276	0.2
85.02838	0.5
89.02339	0.3
96.38749	0.1
96.95907	1.0
98.20521	0.3
101.02357	0.5
113.02396	0.4
125.02406	0.4
135.02911	0.4
135.04439	1.1
152.99536	0.4
163.03947	0.2
179.03448	0.3
181.05122	0.3
318.58856	0.2
405.28195	0.7
423.29163	0.7
441.26788	0.2
443.14908	0.2
465.29254	0.2
467.28281	0.2
471.31250	6.4
472.31824	0.7
487.31064	0.3
489.33496	1.6
497.29401	0.2
507.35812	0.3
515.30475	0.3
549.25031	0.4
549.32306	2.9
550.32813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57533	0.3
59.01264	95.3
60.01606	1.0
61.98736	0.7
70.34413	1.0
71.01261	0.4
71.04910	3.9
74.54909	0.3
78.95820	0.4
83.04946	0.5
85.02856	0.3
96.95956	0.3
97.06532	0.7
98.20481	0.3
109.63051	0.3
111.08074	0.8
111.95934	0.3
119.08574	0.5
120.97295	0.3
135.08112	0.4
137.09698	0.5
139.07504	0.3
145.47101	0.3
149.09676	0.4
152.99585	0.4
155.10706	3.2
171.11830	0.4
175.94026	0.3
207.14015	0.5
221.15385	0.3
233.15611	0.6
247.62000	0.3
257.15527	0.6
273.18887	0.4
286.19385	0.5
365.75403	0.4
377.25156	0.5
387.26743	0.5
389.24759	1.6
391.22778	0.3
405.23688	0.6
405.28214	5.5
406.28494	1.0
407.25998	3.0
408.26263	0.4
409.23969	2.2
410.24326	0.4
411.29282	0.4
421.27747	0.6
423.29120	19.6
424.29517	2.9
425.27112	2.3
426.27231	0.5
439.28580	1.0
441.30179	21.2
442.30411	2.8
485.29150	0.6
489.32318	100.0
490.32651	15.8
490.39999	0.4
549.34918	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	549.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	47.6
61.98709	5.9
71.01246	1.8
71.56783	1.5
72.54446	0.8
73.02819	1.3
78.95798	1.4
81.30750	0.9
82.10516	1.1
86.60564	0.9
94.98063	0.8
100.88412	0.9
101.02372	2.2
107.35986	0.9
145.02870	4.1
146.99767	0.9
152.99452	1.3
162.82979	1.0
255.36383	1.0
364.28326	1.0
405.28046	1.0
439.28345	1.2
471.31125	1.7
489.32278	100.0
490.32635	14.3
503.33850	24.7
504.34155	3.6
511.08670	0.9
549.30499	3.2
550.30005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28505	0.2
52.88850	0.1
59.01264	5.8
60.01598	0.8
61.01689	0.8
61.98715	100.0
62.98418	0.1
69.38140	1.3
77.34889	0.1
84.13584	0.1
89.22315	0.1
101.08813	0.1
102.64996	0.1
212.74977	0.1
225.11325	0.2
334.97330	0.1
407.23209	0.2
550.37848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03328	1.2
58.00474	3.2
59.01262	65.2
60.01596	0.9
61.98720	1.4
68.99721	0.5
69.03340	30.1
70.03657	0.5
71.01267	40.5
71.56178	0.5
72.01623	0.5
72.99191	3.9
73.02834	17.4
75.00761	1.3
79.01775	3.0
81.03342	5.1
83.01276	4.6
83.04907	0.6
85.02840	18.9
85.99953	0.5
87.00784	3.2
87.04415	1.0
88.98700	1.0
89.02335	24.7
93.03377	0.7
95.01279	6.1
96.95910	0.8
97.02849	23.1
99.00774	2.8
99.04401	0.8
101.02342	32.9
103.03910	25.9
104.04263	0.8
107.01291	14.6
108.02073	50.9
109.02885	13.4
110.03146	0.5
111.04410	0.5
113.02355	3.1
114.43297	0.4
115.03932	1.0
115.44414	0.5
119.03417	11.7
119.04882	3.0
120.03775	0.5
121.02867	3.1
123.00790	5.7
123.04403	0.6
125.02362	58.8
126.02711	1.9
127.03922	2.6
131.03413	1.2
132.37436	0.4
134.03671	0.4
135.00804	46.2
136.01175	1.3
137.02364	6.1
139.03949	0.8
143.03432	4.4
145.05008	3.9
149.02388	0.5
151.00296	4.8
151.03926	0.5
152.01086	100.0
153.01888	12.4
161.04491	0.7
163.04012	2.4
163.06065	15.1
165.01898	0.9
167.03410	0.5
169.06511	0.5
177.01869	0.6
179.03398	0.7
179.05589	2.0
197.06055	7.4
205.07150	2.0
213.05537	1.2
215.07098	0.7
229.07385	0.8
242.05830	1.4
243.06642	52.1
244.07014	3.6
247.08244	8.3
281.68359	0.5
283.13452	0.8
289.09552	0.6
289.20212	0.4
307.10376	6.5
308.10754	0.4
309.14838	0.5
345.17297	0.5
361.11539	0.6
371.14990	1.7
387.16699	0.4
443.12012	67.5
444.12418	7.7
551.20465	0.9
551.33398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1784
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
57.03358	0.3
59.01261	6.7
60.01625	0.2
60.99208	0.2
61.98711	1.0
65.00243	0.4
65.03873	0.2
69.03361	0.3
71.01264	2.3
71.04947	0.2
71.57089	0.2
72.99229	0.3
73.02863	0.5
75.00758	1.2
77.03899	0.2
77.06370	0.1
78.11151	0.1
78.95805	0.2
80.02603	0.5
80.96394	0.2
81.03386	0.4
83.01317	0.4
85.02837	0.8
87.00814	0.5
88.98700	0.9
89.02326	2.0
91.01784	11.0
92.02153	0.2
93.03344	0.8
95.01286	0.8
96.95908	0.6
97.02894	0.3
98.34549	0.1
99.00824	0.3
99.04441	0.1
101.02344	1.3
103.03971	0.2
107.01344	0.3
107.04913	0.7
108.02071	14.3
109.02880	3.5
110.03248	0.1
111.00798	0.1
113.02377	0.7
119.03449	0.4
119.04982	0.4
121.02874	0.9
123.00793	4.9
123.01656	0.3
124.01598	0.6
125.02357	1.2
127.04044	0.1
131.03513	0.2
133.02905	0.3
134.03677	0.3
135.00798	12.4
135.04471	0.3
136.01201	0.3
137.02367	4.2
143.03445	0.4
145.02838	0.1
145.05013	0.1
151.00333	0.4
151.03859	0.2
152.01083	14.9
153.01794	0.8
160.01611	0.3
161.02394	0.2
161.04504	0.3
162.03192	0.5
163.03981	0.6
168.00583	0.2
169.06541	0.2
177.01944	0.3
177.05524	0.4
178.02635	0.3
179.03360	0.2
179.03966	0.2
179.05589	1.8
179.07022	0.2
195.06613	0.2
197.06075	1.5
199.07574	0.4
211.13379	0.2
213.05577	0.9
215.07082	0.8
225.05571	0.3
227.07146	0.3
241.05046	0.3
242.05901	0.1
243.06636	100.0
244.06976	6.7
300.65564	0.1
327.16138	0.4
343.15424	0.4
345.17096	0.6
371.14920	1.6
405.02420	0.2
443.12006	0.9
490.32532	0.2
491.33557	0.4
507.28149	1.0
509.31100	0.2
533.31293	0.3
551.17590	8.1
551.31860	0.8
552.17847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99916	0.2
57.03328	0.4
59.01265	5.2
65.03854	3.1
67.71651	0.2
69.03339	0.4
69.47102	0.9
69.47530	1.2
71.01273	4.0
72.99200	0.3
73.02842	0.8
75.00748	0.4
85.02843	1.1
89.02333	2.9
90.13824	0.2
91.01801	1.0
93.03356	2.2
96.95918	0.3
97.02842	0.7
98.19749	0.2
99.00781	0.7
100.26025	0.2
101.02341	1.1
104.80212	0.2
107.02575	0.2
107.04930	6.9
108.02062	0.5
109.02861	7.3
111.00752	0.4
113.02379	0.5
114.93266	0.4
116.92786	1.4
117.29733	0.3
117.92768	0.8
118.92616	0.8
119.03428	0.3
119.04955	0.6
122.03667	0.7
123.08128	0.3
125.02391	1.4
133.02959	0.3
133.69073	0.3
135.00803	1.3
138.11681	0.3
149.02397	0.3
150.03181	0.7
151.03952	100.0
152.01073	1.0
152.04297	4.1
153.01851	0.8
160.86147	0.2
163.03929	2.1
164.04561	0.2
165.05534	0.7
167.03447	1.3
177.02144	0.3
179.05502	0.4
180.27237	0.2
185.62625	0.2
193.04988	0.3
200.67964	0.2
209.02986	0.5
222.31963	0.2
233.06609	0.3
257.08234	42.7
258.08612	2.8
273.07959	0.3
283.09521	0.3
341.13925	0.5
431.09473	0.3
507.28546	0.4
533.29858	0.4
551.17853	48.4
551.30109	3.0
552.18176	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	551.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.5
61.98721	0.3
63.02272	0.2
65.00217	0.6
65.03848	4.1
66.04167	0.2
67.01777	1.6
69.03335	0.2
69.43449	0.9
69.43856	0.5
71.01267	2.5
72.99197	0.2
73.02826	0.5
75.00753	0.3
76.10646	0.1
80.02576	0.2
81.03353	0.2
83.01264	0.2
85.02849	0.9
87.00790	0.2
89.02337	2.1
91.01789	22.9
92.02135	0.7
93.03362	0.4
95.01281	0.2
96.85119	0.2
97.02881	0.2
98.20626	0.3
101.02347	1.2
103.03909	0.5
103.61124	0.2
107.01295	0.3
107.04941	0.5
108.02065	2.0
109.02860	27.6
110.03214	1.0
113.02373	0.5
119.03392	0.5
119.04936	0.2
121.02874	0.6
123.04430	0.3
125.02380	0.9
125.03160	0.2
131.03409	0.3
133.02881	0.2
135.00806	76.4
136.01158	2.5
137.02388	1.0
149.02448	0.2
149.04503	0.4
151.03947	5.2
152.01054	0.4
153.01871	100.0
154.02213	3.8
161.04520	0.2
163.03967	0.6
163.06068	0.3
167.03381	0.5
167.11037	0.2
175.03951	0.4
177.01930	0.4
179.03528	0.2
190.06404	0.3
193.05026	0.3
199.07707	1.0
205.08687	0.2
210.85533	0.2
225.05513	0.2
243.06647	4.6
244.07011	0.4
257.08234	2.1
258.08667	0.2
259.02762	0.2
297.06488	0.2
307.10443	0.2
311.12991	0.2
341.13965	0.8
371.24622	0.2
389.25116	0.2
443.12021	5.8
444.12411	0.7
491.19437	0.3
507.28244	0.2
551.17853	1.9
551.31110	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	551.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
58.00468	3.1
59.01264	48.9
61.98706	2.1
69.61804	1.7
69.62220	3.5
71.01270	39.5
71.04893	0.8
72.99208	4.0
73.02834	3.2
75.00761	1.5
83.01276	1.5
85.02838	6.7
87.00764	2.4
88.98729	1.0
89.02338	57.8
90.02659	1.2
93.03351	1.3
96.95898	1.6
97.06498	1.0
99.00809	1.0
101.02345	7.2
107.01254	0.8
107.04916	0.9
108.02071	6.2
109.02855	2.2
113.02348	6.4
116.92777	5.6
119.03396	2.6
119.04939	2.0
120.99551	1.3
121.02869	1.2
121.06466	1.0
122.03696	1.1
123.00828	0.9
123.04446	3.9
124.01585	0.7
125.02368	2.0
125.09653	0.8
131.03427	7.5
131.04974	1.1
131.36349	0.7
134.03632	1.1
135.02916	1.7
135.04453	1.4
137.02362	4.5
138.03125	2.1
139.03940	1.0
145.02899	1.0
147.04381	0.9
149.02374	1.4
149.04497	12.2
149.05725	1.2
150.03143	0.8
151.00253	1.2
151.03926	4.4
151.11266	1.3
152.01086	12.2
152.04744	1.2
153.01767	0.7
153.05544	2.2
153.53189	0.7
159.04410	1.2
161.02429	0.8
161.04582	0.8
163.03961	1.5
166.02586	0.9
167.03452	26.9
171.10199	1.1
173.06023	0.7
174.03079	1.3
175.03957	7.7
176.04616	0.9
177.01891	1.3
177.05518	2.7
177.09250	1.3
178.02589	1.0
179.03375	1.9
179.05518	1.2
184.70911	0.7
187.03978	8.3
188.04716	2.5
189.05533	2.7
190.06363	3.2
191.07120	2.1
193.05040	2.7
194.05818	0.7
195.10257	1.8
197.11786	0.6
201.05498	1.1
201.11299	10.3
202.06256	3.2
203.03400	1.0
203.07101	3.9
204.04283	1.6
204.07727	0.9
205.05029	9.2
205.08598	1.7
206.05318	0.9
207.06615	1.6
217.08710	1.4
218.05812	1.5
219.06667	4.2
220.07381	8.4
221.07755	0.9
233.08185	1.1
234.08727	0.9
235.09827	8.2
294.05316	0.7
309.07562	1.1
310.08566	1.0
311.05801	0.8
313.10855	1.8
325.10562	0.9
341.10379	8.4
342.10681	1.2
355.11923	1.5
356.12778	4.9
357.13162	0.9
370.14630	1.3
371.11374	2.2
371.15115	2.8
372.15439	1.1
383.13477	1.0
386.13718	1.8
389.16019	3.8
389.25433	0.7
401.16125	100.0
402.16428	14.1
440.79028	0.7
447.25934	0.9
465.26984	1.3
507.28146	7.4
533.30035	1.7
551.21796	4.8
551.30914	12.1
552.22485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
58.00468	3.1
59.01264	48.9
61.98706	2.1
69.61804	1.7
69.62220	3.5
71.01270	39.5
71.04893	0.8
72.99208	4.0
73.02834	3.2
75.00761	1.5
83.01276	1.5
85.02838	6.7
87.00764	2.4
88.98729	1.0
89.02338	57.8
90.02659	1.2
93.03351	1.3
96.95898	1.6
97.06498	1.0
99.00809	1.0
101.02345	7.2
107.01254	0.8
107.04916	0.9
108.02071	6.2
109.02855	2.2
113.02348	6.4
116.92777	5.6
119.03396	2.6
119.04939	2.0
120.99551	1.3
121.02869	1.2
121.06466	1.0
122.03696	1.1
123.00828	0.9
123.04446	3.9
124.01585	0.7
125.02368	2.0
125.09653	0.8
131.03427	7.5
131.04974	1.1
131.36349	0.7
134.03632	1.1
135.02916	1.7
135.04453	1.4
137.02362	4.5
138.03125	2.1
139.03940	1.0
145.02899	1.0
147.04381	0.9
149.02374	1.4
149.04497	12.2
149.05725	1.2
150.03143	0.8
151.00253	1.2
151.03926	4.4
151.11266	1.3
152.01086	12.2
152.04744	1.2
153.01767	0.7
153.05544	2.2
153.53189	0.7
159.04410	1.2
161.02429	0.8
161.04582	0.8
163.03961	1.5
166.02586	0.9
167.03452	26.9
171.10199	1.1
173.06023	0.7
174.03079	1.3
175.03957	7.7
176.04616	0.9
177.01891	1.3
177.05518	2.7
177.09250	1.3
178.02589	1.0
179.03375	1.9
179.05518	1.2
184.70911	0.7
187.03978	8.3
188.04716	2.5
189.05533	2.7
190.06363	3.2
191.07120	2.1
193.05040	2.7
194.05818	0.7
195.10257	1.8
197.11786	0.6
201.05498	1.1
201.11299	10.3
202.06256	3.2
203.03400	1.0
203.07101	3.9
204.04283	1.6
204.07727	0.9
205.05029	9.2
205.08598	1.7
206.05318	0.9
207.06615	1.6
217.08710	1.4
218.05812	1.5
219.06667	4.2
220.07381	8.4
221.07755	0.9
233.08185	1.1
234.08727	0.9
235.09827	8.2
294.05316	0.7
309.07562	1.1
310.08566	1.0
311.05801	0.8
313.10855	1.8
325.10562	0.9
341.10379	8.4
342.10681	1.2
355.11923	1.5
356.12778	4.9
357.13162	0.9
370.14630	1.3
371.11374	2.2
371.15115	2.8
372.15439	1.1
383.13477	1.0
386.13718	1.8
389.16019	3.8
389.25433	0.7
401.16125	100.0
402.16428	14.1
440.79028	0.7
447.25934	0.9
465.26984	1.3
507.28146	7.4
533.30035	1.7
551.21796	4.8
551.30914	12.1
552.22485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.215
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
57.03339	1.6
59.01267	21.7
59.59308	0.4
60.01628	0.5
61.98724	2.7
69.03339	0.5
69.39424	3.9
71.01273	4.8
71.04922	0.8
72.99207	1.4
73.02839	5.0
75.00764	6.8
79.15303	0.4
81.03365	0.8
83.01269	5.1
85.02846	2.0
87.00784	0.8
87.04434	0.9
89.02345	1.6
93.03367	1.0
95.01266	0.5
96.95912	2.0
97.02864	0.7
99.00790	0.9
101.02338	3.2
108.02096	1.0
109.02882	1.6
113.02359	0.9
117.03388	0.5
119.04948	100.0
120.05300	4.3
121.02886	1.2
123.04450	0.6
123.08059	0.5
125.02404	2.6
130.92802	0.4
134.03642	0.8
135.02962	1.0
135.04416	1.2
137.02391	1.1
139.04054	0.7
139.07594	0.5
139.11224	4.5
143.03426	1.9
149.02344	1.2
151.00325	1.0
151.11214	0.6
152.01100	1.5
153.01819	0.9
161.04463	1.2
161.05969	0.5
163.03961	62.3
163.11290	0.8
164.04356	2.8
165.01840	0.6
165.09158	0.9
167.03529	1.1
169.12311	1.8
172.05318	0.6
178.99922	0.5
179.03421	0.6
179.03737	0.6
179.05580	9.3
179.10722	1.9
181.12292	2.3
183.02931	0.9
183.08528	0.8
183.10234	7.6
184.10468	0.6
187.03934	0.6
193.01411	0.6
197.06070	0.5
197.11794	1.2
199.13498	1.0
200.04572	0.5
207.10353	0.5
208.03760	1.2
211.13347	0.6
223.06097	3.6
225.11337	8.3
227.03654	0.5
227.07159	0.8
227.10608	0.5
228.04198	0.5
241.05061	0.6
242.05476	0.5
243.12447	5.9
249.11475	1.0
266.53833	0.4
267.12369	1.0
273.07745	0.8
283.13492	0.7
285.13605	1.1
291.12408	2.3
309.15063	8.2
310.15472	0.6
315.07050	0.5
315.60159	0.4
327.16144	3.1
345.17163	1.8
353.14029	6.6
354.14169	0.5
371.15097	18.0
372.15411	1.6
387.16696	7.3
388.16998	1.0
390.42780	0.5
428.75146	0.5
527.71124	0.5
533.20300	2.7
551.21429	36.4
551.30573	1.5
551.71570	0.6
552.21698	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	551.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92467	0.5
53.93759	0.6
57.03335	1.0
57.25820	0.5
59.01266	6.0
60.01583	0.7
61.98725	3.0
71.01268	1.3
71.04899	2.1
71.56850	1.1
78.95792	1.7
79.95623	0.6
81.03327	0.7
83.04909	2.3
84.02035	0.5
88.14766	0.5
95.04906	1.8
97.02847	2.6
97.06490	2.5
97.45246	0.5
99.00787	10.0
99.08028	0.9
109.06478	1.6
110.03653	1.0
115.07560	0.6
116.12672	0.5
123.04465	1.0
123.08077	1.2
125.06036	1.4
125.09626	6.7
127.07571	3.5
135.08078	1.3
137.09717	0.8
139.07547	0.8
141.05496	0.6
142.02632	1.3
153.12819	0.6
155.10690	0.9
155.14404	1.0
157.03265	0.5
160.38698	0.6
161.09634	0.8
163.11253	6.7
165.12891	0.7
171.10234	1.7
178.09999	0.8
179.10748	1.1
181.12303	10.3
185.11792	5.9
187.09760	1.4
191.14438	1.3
197.11836	6.5
199.13399	6.2
201.11298	1.7
207.10248	25.4
208.10535	1.1
209.11824	21.5
210.12132	1.3
219.13919	0.9
221.11880	0.8
223.13417	0.8
225.11320	39.2
226.11661	2.6
230.65558	0.6
237.11346	0.7
238.12097	1.8
243.12401	100.0
244.12694	5.9
245.19203	1.9
265.14502	0.7
279.19366	0.7
289.18130	8.4
290.18994	0.6
307.19223	35.2
308.19614	3.7
325.20245	27.5
325.24142	1.1
326.20627	2.4
365.23465	0.9
407.24365	1.1
409.22369	1.7
425.25562	3.7
471.31735	0.6
489.32520	1.9
507.33099	1.3
515.30200	1.2
533.31293	6.2
534.31732	1.2
551.32477	4.6
552.33130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
61.98703	2.4
71.57072	1.1
74.66944	0.5
78.95794	1.2
92.62870	0.6
96.95889	1.0
108.68743	0.6
110.02242	0.6
133.12750	0.6
145.49591	0.6
152.99542	0.6
171.10210	0.5
193.11156	0.6
264.29971	0.6
314.12122	0.7
451.12955	0.6
469.33304	100.0
470.33578	16.9
551.33643	73.5
552.34009	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	551.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
59.01264	15.0
62.16158	0.2
69.36863	0.4
69.37271	1.6
71.01270	2.7
73.02833	0.9
74.85404	0.2
83.01260	0.4
83.22279	0.2
85.02845	0.6
85.99993	0.2
87.00763	0.4
89.02335	2.5
90.38623	0.2
95.01273	0.3
97.46634	0.2
98.19798	0.3
101.02346	2.8
113.02359	1.2
119.03404	0.8
132.43083	0.2
133.05019	0.5
143.03398	0.4
161.04494	1.1
179.05528	0.3
216.50618	0.2
235.08241	2.7
237.22093	0.3
253.09325	12.6
254.09689	0.5
255.23323	100.0
256.23663	8.7
265.75525	0.2
292.64130	0.2
300.55399	0.2
305.18509	0.2
439.32205	2.4
440.32513	0.5
469.33289	1.9
470.33624	0.3
491.32352	0.8
551.33777	2.2
552.34265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59288	0.4
52.94564	0.3
59.01266	15.0
71.01279	3.1
71.24536	1.1
73.02824	1.1
78.91438	0.4
83.08851	0.3
85.02840	0.7
89.02335	2.8
101.02355	2.9
103.03973	0.4
113.02369	1.7
119.03392	1.2
133.05026	0.5
143.03535	0.4
161.04520	1.5
235.08253	2.7
253.09317	11.4
254.09647	0.7
255.23340	100.0
256.21039	0.8
256.23639	7.7
269.24933	0.4
395.48355	0.4
479.72174	0.5
491.32516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00257	0.2
58.00526	0.2
59.01267	1.3
61.98715	0.3
62.36728	0.1
77.99393	0.2
78.95792	7.8
152.99562	1.6
167.77307	0.2
168.04271	1.8
174.91039	0.2
224.06891	1.1
233.22778	0.6
242.08025	3.3
243.08455	0.3
246.07530	0.2
259.20676	0.5
275.20233	0.5
277.21774	100.0
278.22119	9.8
365.29434	0.2
390.56595	0.2
502.29520	43.4
503.29871	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	552.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45153	0.9
59.01267	23.0
61.98712	5.0
71.58181	1.3
78.95796	34.9
152.99547	5.5
168.04239	5.6
224.06958	11.8
242.07974	4.3
253.21764	97.3
254.22087	6.9
259.20786	1.0
277.21786	100.0
278.22128	8.8
309.20462	1.0
360.09357	0.9
361.55051	1.0
408.67865	1.0
478.29520	33.1
479.29785	3.9
502.29532	89.6
503.29922	14.1
574.06482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
59.01265	7.5
59.52303	0.4
59.77502	0.4
61.98721	4.2
68.99672	0.4
69.03339	2.5
70.77046	0.4
71.01260	2.6
71.57179	0.5
72.99203	1.0
73.02827	1.3
74.42778	0.4
74.74844	0.3
75.00767	1.1
75.29077	0.3
78.95792	0.7
81.03343	1.2
83.01282	1.2
84.39195	0.3
85.02844	1.4
87.00742	0.6
88.98699	0.5
89.02321	0.9
95.01271	1.6
96.95905	1.3
97.02857	3.0
99.00787	0.8
101.02354	2.0
107.01297	1.0
108.02074	2.9
109.02863	3.2
113.02364	1.0
116.92793	0.5
119.04954	0.9
121.02918	0.9
123.00782	5.1
123.04416	1.2
124.01590	19.7
125.02372	46.8
126.02708	1.4
131.03436	0.4
134.02621	0.4
135.02911	1.1
135.04446	1.8
136.04892	0.5
137.02362	3.5
139.03935	1.2
149.02428	0.6
149.99529	23.7
151.00356	2.7
151.03917	1.9
152.01117	2.5
152.99513	0.6
153.01863	2.1
160.05342	0.4
161.02397	1.3
161.04515	0.5
163.00311	0.8
163.03928	1.4
164.01094	0.5
165.01904	1.6
167.03465	1.9
167.14452	0.4
168.00594	57.0
169.01346	6.3
171.81519	0.4
175.04012	0.7
176.01196	0.5
177.01950	0.8
178.99835	0.5
179.03444	1.5
179.14792	0.4
183.13947	0.4
193.01494	0.5
193.05025	0.9
197.04489	0.5
199.07623	0.5
205.01385	0.6
209.11838	1.6
211.13423	0.8
242.35426	0.4
245.04572	0.5
285.03854	0.6
289.07227	1.8
299.40372	0.4
307.19299	0.6
316.02325	0.6
325.20267	0.9
331.24979	7.8
401.11279	0.6
403.17801	0.5
427.08841	1.4
445.09946	100.0
446.10345	10.5
463.09125	0.6
502.42386	0.4
517.31659	1.8
553.23242	4.1
553.30847	2.7
554.24225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96534	0.1
70.14017	0.3
70.14410	0.3
74.65674	0.1
79.95619	3.9
80.96421	0.3
95.95125	2.8
96.95908	5.3
139.87582	0.1
151.02776	0.1
251.05997	1.1
266.24164	0.1
300.47211	0.1
303.09174	0.2
317.10846	0.3
319.12271	1.7
331.12338	0.2
333.13922	0.3
354.20627	0.1
366.47678	0.1
411.18115	0.2
413.20120	0.7
439.17908	1.6
440.18201	0.2
460.80334	0.1
517.31812	0.6
523.23700	1.2
535.27155	0.2
553.28510	100.0
554.28815	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	553.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
61.98704	0.4
69.92954	0.3
69.93355	0.7
79.95625	4.3
80.96396	0.3
95.95127	3.0
96.95908	5.2
98.19863	0.2
137.02383	0.3
251.06038	1.0
301.54892	0.2
303.09125	0.3
317.10678	0.3
319.12201	1.8
320.12433	0.2
331.12198	0.2
333.13977	0.5
413.20090	0.5
414.19879	0.2
439.17908	1.4
440.18573	0.3
495.24902	0.3
523.23914	1.2
553.28497	100.0
554.28833	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	553.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
59.24095	0.4
61.98701	1.5
62.42749	0.5
71.01257	1.8
71.57105	0.8
77.16822	0.4
78.98474	1.7
79.95623	2.8
80.96409	18.3
85.02818	0.6
87.00739	0.6
94.97996	3.7
96.95930	0.8
101.28321	0.5
106.97965	1.0
122.97448	1.1
125.02347	0.6
132.89946	0.5
134.97490	1.0
138.67242	0.5
148.99051	1.7
152.98601	1.5
164.98503	3.3
171.77274	0.5
183.35503	0.5
185.12730	0.5
201.11320	0.7
203.00371	0.6
206.99583	0.7
208.86711	0.5
225.00787	4.6
226.24992	0.4
246.98264	0.5
253.21735	0.7
279.23376	1.9
285.51410	0.5
299.04642	1.1
407.33353	1.4
471.34882	100.0
472.35178	15.4
504.30981	1.8
553.26941	26.6
553.35272	79.7
554.27362	4.4
554.35596	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	553.3524
Annotation	Muscanone
Peak:m/z	Relative Intensity
54.08525	0.3
59.01250	1.0
61.80606	0.3
61.98713	0.7
63.96138	0.3
64.03139	0.3
66.41917	0.3
68.80117	0.3
69.45025	1.8
69.45446	0.8
71.01296	1.5
71.01630	0.3
73.02837	0.3
78.98473	0.8
79.95618	1.9
80.96410	11.2
85.02833	0.5
85.58669	0.3
87.00777	0.4
94.97980	2.7
97.02833	0.3
101.02358	0.3
122.97520	1.0
125.02327	1.0
127.47292	0.3
134.97498	0.8
148.99072	1.1
152.98582	1.1
164.98599	2.4
206.99644	0.5
225.00714	3.4
299.04395	0.8
407.33041	0.3
471.34879	100.0
472.28491	0.8
472.35220	15.7
553.26953	18.2
553.35266	68.3
554.27222	2.8
554.35315	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	553.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34873	0.3
56.45848	0.2
57.24060	0.3
59.01099	0.3
59.01355	0.7
61.77924	0.3
61.98801	0.4
71.01368	0.4
73.47385	0.3
77.55742	0.2
78.98575	0.4
79.95741	0.7
80.61863	0.3
80.96046	1.0
80.96564	4.7
94.98160	1.3
101.02459	0.3
105.25591	0.3
106.98106	0.4
122.97575	0.4
125.02544	0.4
127.47469	0.3
127.69455	0.3
134.97621	0.4
148.99222	0.5
152.98770	0.8
162.70663	0.3
164.98808	1.0
206.99930	0.4
215.09113	0.3
225.00737	1.7
229.67186	0.4
299.04794	0.4
317.05469	0.4
423.32623	0.4
471.34854	100.0
472.28302	0.6
472.35165	15.7
553.26880	9.9
553.35059	63.6
554.27319	1.4
554.35419	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	554.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52415	0.2
58.19770	0.2
59.01260	1.2
61.98711	1.2
69.95667	0.2
70.07472	0.8
71.01258	0.5
74.61263	0.2
78.95794	6.0
79.95609	0.4
80.96408	3.0
82.96004	0.3
83.01268	0.2
94.97980	0.8
106.97974	0.3
108.05067	0.2
122.97456	0.2
152.98436	0.4
152.99571	1.0
155.84860	0.2
164.98605	0.6
168.04242	1.1
201.11226	0.3
224.06856	0.7
225.00787	0.6
226.01094	0.2
242.07954	2.5
261.22369	0.3
279.23346	100.0
280.23697	8.5
280.26801	0.4
309.73486	0.2
345.39151	0.2
367.14612	0.2
421.38425	0.2
504.31082	39.9
505.31369	5.1
554.27112	4.6
555.27057	0.9
581.69489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67316	0.7
59.01258	2.4
60.26326	0.6
60.31646	0.6
61.98704	2.8
71.01250	1.1
74.54309	0.8
77.86451	0.7
78.95794	24.0
78.98435	0.7
79.95623	1.9
80.96413	10.5
85.02857	1.0
87.00780	0.8
94.97987	2.4
96.95982	0.7
98.20582	1.2
125.02399	1.2
126.27877	0.7
148.99007	1.4
152.98456	1.2
152.99535	3.1
164.98596	1.6
168.04256	4.0
169.75166	0.7
182.56970	0.8
207.44858	0.7
224.06926	9.1
225.00700	2.4
242.08000	1.7
245.96175	0.8
248.55066	0.7
253.81274	0.7
279.23352	100.0
280.23712	7.8
309.85913	0.7
407.36307	0.7
471.34488	1.6
472.35239	8.0
504.31079	76.4
505.31415	10.6
553.35291	1.0
554.27319	21.0
554.35553	6.3
555.27362	4.5
555.35577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99841	0.3
54.20535	0.2
59.01264	23.9
59.67171	0.3
63.96107	0.4
69.03364	0.3
69.40697	0.7
69.41110	1.9
71.01260	2.3
73.02828	0.8
74.32027	0.3
78.95794	18.6
78.98465	1.9
79.95618	2.8
80.96407	21.9
85.02825	0.7
87.00771	0.8
91.88431	0.3
94.97974	5.6
96.95921	0.3
97.02847	0.5
97.46420	0.3
99.00787	0.3
101.02355	0.9
106.97999	1.0
122.97477	1.2
122.98360	0.3
125.02389	0.9
134.97533	1.8
148.99028	1.8
152.98534	2.6
152.99559	2.3
164.98581	4.6
168.04277	3.3
182.99641	0.6
206.99684	1.0
224.06917	7.2
224.98686	0.5
225.00761	7.5
242.08018	1.2
243.01859	0.4
255.23323	100.0
256.23657	8.4
256.26352	0.4
299.04443	1.4
480.31049	70.7
481.31406	9.3
554.27356	3.2
555.28510	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33503	0.6
55.59031	0.6
59.01266	3.3
61.98703	2.4
66.90501	0.6
69.03344	0.7
69.44149	5.6
71.01272	1.3
73.02862	0.6
75.00762	2.0
83.01223	1.0
88.98695	1.3
89.02324	1.5
93.03349	3.8
95.01270	1.0
95.04948	0.9
96.95904	7.8
101.02350	1.0
108.02079	3.9
109.02855	3.1
113.02322	0.7
119.04921	1.0
121.02866	8.1
121.21531	0.6
122.03670	9.6
123.00790	0.6
123.04410	2.5
124.01607	0.7
125.02357	1.8
125.03296	0.6
132.02092	0.6
133.02917	2.9
134.03604	1.0
135.02916	2.8
135.04466	3.1
136.01622	1.4
137.02411	3.4
145.02916	0.7
147.04440	1.0
148.01587	0.7
149.02377	54.5
149.05954	1.5
150.03163	64.9
151.00276	0.9
151.03517	3.2
152.01120	3.7
152.14807	0.7
163.03931	1.5
164.04738	14.1
165.04131	2.8
165.05513	68.2
166.05939	2.4
167.03397	3.2
175.04016	1.1
177.02002	0.7
177.05510	0.7
179.03456	1.5
179.07083	1.5
180.04239	4.9
185.00954	0.8
195.06602	43.9
196.06935	1.6
203.53714	0.6
220.07237	0.6
226.08420	1.0
241.08813	1.0
255.06516	0.9
255.10388	1.1
263.22363	0.8
265.08823	0.8
267.10327	1.1
268.10965	0.6
269.08258	4.2
269.11850	2.3
270.08807	0.8
271.02530	0.8
281.08289	0.8
283.09781	2.0
296.10577	1.0
297.11411	10.5
298.08582	1.0
298.11978	2.2
299.02048	2.4
299.09326	2.7
299.12701	0.6
299.16583	0.8
300.02731	1.0
300.10040	2.5
301.03497	1.7
311.09320	3.6
311.12686	1.0
312.10065	1.2
313.10785	1.7
314.11691	5.6
315.12195	3.4
317.17529	0.7
325.10870	1.4
326.11649	2.2
327.12436	1.5
327.15994	0.9
327.22052	0.7
329.13998	13.3
330.14432	1.3
341.14069	7.9
343.15433	0.9
345.16983	0.8
401.13513	0.7
419.15198	1.1
431.14935	4.3
433.16760	3.6
434.16785	0.7
461.15948	1.5
462.16934	4.5
463.17621	1.3
477.19266	15.9
478.19714	2.4
482.61887	0.9
483.11829	0.8
489.19440	2.4
492.17981	2.0
507.20319	100.0
508.20627	17.3
525.20868	0.7
537.21252	0.8
555.22205	8.4
556.15222	1.6
556.22888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
59.01258	0.8
60.84589	0.3
62.92300	0.3
63.96117	1.1
65.33205	0.3
66.50653	0.3
69.03347	0.5
71.01264	6.5
71.12450	0.8
73.02819	1.4
77.55140	0.3
78.90703	0.2
78.98479	6.2
79.95617	9.0
80.96404	64.7
81.03351	0.7
85.02838	2.3
87.00781	2.0
94.97976	15.1
96.95911	1.2
97.02845	1.3
99.00787	0.7
101.02345	2.7
102.52202	0.3
106.97970	3.2
115.77946	0.3
118.94953	0.3
122.97484	3.0
125.02376	3.3
127.03893	1.0
134.97487	4.8
136.99095	1.4
148.99063	5.5
152.98573	6.1
162.56345	0.3
164.98572	11.6
165.98862	0.3
167.00111	0.4
185.57339	0.3
188.98610	0.3
203.57262	0.3
206.99644	2.4
225.00745	15.5
226.01045	0.4
255.23286	2.6
299.04468	3.1
308.71362	0.3
523.68268	0.3
555.28510	100.0
556.28821	15.1
556.37622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2854
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01269	0.5
61.36729	0.3
63.96126	0.9
68.07360	0.3
69.03323	0.5
69.31486	0.3
70.49501	1.0
71.01270	5.7
71.55501	0.4
73.02841	1.3
78.80501	0.3
78.98479	4.8
79.95618	7.8
79.96087	0.4
80.96409	55.9
81.03356	1.0
83.01280	0.6
85.02841	2.3
87.00774	2.6
94.97981	14.2
96.95921	0.6
97.02846	1.3
99.00774	0.4
101.02340	2.6
106.97982	2.7
113.02349	0.5
122.97489	4.1
125.02364	2.5
127.03951	0.9
134.97511	3.9
136.33681	0.4
136.99074	1.2
146.97540	0.4
148.99089	4.6
152.98564	6.2
164.98582	11.1
165.98929	0.5
182.99634	1.4
191.14763	0.4
206.99654	2.7
225.00739	17.9
226.01065	0.7
233.90758	0.4
243.01917	1.6
255.23317	3.0
273.13828	0.4
277.97943	0.4
299.04477	3.8
382.48300	0.4
472.62241	0.4
555.28534	100.0
556.28906	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	555.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01128	0.8
50.79576	0.8
50.92637	0.8
57.68294	0.8
59.01267	7.1
61.98724	4.1
71.01260	1.4
71.04906	1.0
71.57855	1.2
73.02794	0.8
75.00767	1.0
86.48409	0.8
89.02392	1.1
96.95908	1.9
99.07970	0.9
106.87627	0.8
116.70112	0.8
121.02927	1.1
125.02336	0.8
137.99185	0.8
140.31824	0.8
184.71739	1.1
256.39709	0.8
259.06421	1.0
308.22220	1.0
333.20615	0.9
407.29968	0.9
409.31494	1.3
469.29837	2.0
501.32397	9.3
502.32492	1.2
517.31818	8.5
518.31909	1.3
519.33356	100.0
520.33679	16.6
555.31329	20.4
556.31561	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	556.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48877	0.4
56.42919	0.4
61.98716	100.0
74.66927	0.5
82.43604	0.5
98.19839	1.1
115.13735	0.4
229.68750	0.5
276.19397	0.5
471.34866	10.9
472.35043	2.1
473.35229	0.6
474.35718	1.0
556.32642	63.5
557.33081	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	557.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49787	3.7
57.03336	6.2
59.01260	19.6
61.98716	9.1
62.88099	4.2
65.99713	8.7
71.01260	16.1
71.58700	4.4
72.99176	5.1
75.00757	5.5
76.23326	3.6
80.96423	6.8
83.01283	4.2
85.02841	20.3
87.00767	4.3
89.02323	9.9
93.00834	4.9
96.95898	4.9
101.02339	8.9
109.02859	6.2
113.02348	4.5
119.04940	100.0
119.33655	3.8
125.02377	7.0
125.98880	3.8
126.74623	4.0
134.03664	4.3
135.02908	17.8
135.04424	11.9
137.02411	4.7
148.62082	4.2
149.02377	5.1
150.03156	4.7
151.00327	14.1
163.02696	7.3
163.03967	93.6
164.04356	4.3
178.99858	8.6
179.03444	8.7
209.11801	11.4
219.14111	4.3
241.14456	6.6
242.02243	4.3
325.09363	17.1
329.14047	30.7
341.14169	10.6
443.12033	20.8
455.07703	5.2
466.22311	9.2
484.22998	7.4
557.18304	17.6
558.21710	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1468
Annotation	Cassiaoccidentalin A
Peak:m/z	Relative Intensity
51.40577	0.5
51.54014	0.6
55.01789	0.7
57.03318	1.2
59.01260	18.8
60.39708	0.5
61.98718	3.4
63.02288	1.0
65.00219	1.8
65.75986	0.5
71.01276	6.2
72.99197	0.9
73.02828	1.7
75.00761	1.1
83.01282	2.1
85.02843	2.1
87.00777	0.8
87.04411	2.8
89.02332	4.2
95.01285	0.9
96.95915	1.1
97.02839	0.9
98.19760	1.0
99.04426	0.6
101.02355	4.8
101.88013	0.5
105.92380	0.6
107.01280	4.0
113.02357	2.2
115.05440	0.6
119.03426	1.5
119.04968	0.8
123.00778	0.6
124.01557	1.6
125.02368	3.5
128.73755	0.5
131.04950	0.6
135.00789	0.9
135.04466	0.7
137.02348	0.9
142.71921	0.5
143.03394	1.0
143.04938	1.8
145.02867	0.8
146.03641	0.9
147.04449	1.1
149.02336	0.9
151.00304	14.2
151.03883	0.7
152.01033	1.3
157.02881	0.5
159.04485	2.2
161.02444	1.3
161.04472	2.4
163.00310	1.8
163.03903	1.0
164.01111	0.7
169.01343	1.2
171.04489	2.6
171.90334	0.5
173.02399	0.5
174.03246	1.6
175.03967	2.3
176.01114	1.0
177.01839	1.7
178.99825	10.3
179.03418	0.6
179.05524	1.7
183.04410	0.6
185.02571	0.7
187.03993	4.5
189.01903	1.2
191.03517	1.2
193.05156	0.7
199.03992	3.9
200.15240	0.5
201.01889	2.1
202.02667	1.1
203.03485	13.5
204.03947	1.2
209.11781	4.6
211.13388	0.9
213.01974	1.2
214.02728	3.5
215.03467	8.2
216.00659	0.6
217.01411	1.9
227.03502	0.8
227.12822	1.0
230.02248	1.5
231.02982	8.7
232.03413	0.5
240.04214	0.6
241.01459	1.6
242.02188	2.6
243.03021	12.0
243.06712	0.9
251.16519	2.6
253.09341	1.0
258.01831	3.1
259.02509	21.3
260.02844	1.3
263.07584	0.9
269.00790	0.6
269.04526	0.8
270.01721	4.3
271.02530	28.6
272.02927	1.9
273.50781	0.6
282.01807	1.0
286.01346	3.6
287.02032	38.2
288.02356	3.7
295.02551	1.3
298.01263	0.6
299.05927	0.5
301.03607	1.3
305.17749	0.7
311.02081	0.9
313.03415	0.6
314.00793	4.3
315.01526	86.8
316.02222	50.5
317.02911	8.5
324.06345	0.6
325.07086	1.6
329.03098	0.7
336.10519	2.6
336.60373	0.8
341.02997	1.2
377.06638	1.5
384.08426	0.6
395.07806	2.5
396.08203	1.4
412.08023	2.4
413.08902	5.4
414.09610	0.8
433.11328	0.7
454.14893	2.6
454.64777	0.6
461.07327	10.6
462.08124	100.0
463.08499	11.6
499.29486	0.7
550.20801	1.1
558.30969	1.1
559.14624	25.2
559.33972	5.2
560.15009	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	559.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37491	0.5
57.03327	1.9
59.01263	15.7
61.50146	0.4
61.98703	2.1
61.99009	0.6
63.02271	1.1
64.03904	0.5
65.00224	1.4
66.54054	0.5
69.03334	2.1
71.01268	7.1
71.56523	1.0
72.99196	1.2
73.02835	2.0
75.00777	2.0
78.95773	0.5
83.01278	2.5
83.04918	0.7
85.02856	3.0
87.00774	1.0
88.98663	0.9
89.02331	9.6
95.01258	0.6
95.04914	0.6
96.95905	7.4
97.02853	1.3
99.00785	1.4
99.04462	0.8
101.02340	4.7
107.01295	3.5
108.02050	0.6
109.02808	0.6
111.00789	0.6
113.02350	2.8
117.01833	0.5
119.03426	2.0
119.04929	0.8
121.02864	100.0
121.91282	0.5
122.03201	4.2
124.01595	0.8
124.68975	0.5
125.02360	5.9
131.03386	1.0
134.03641	0.6
135.02908	4.1
135.04468	1.2
137.02315	0.8
141.37512	0.5
143.03395	1.4
147.04404	0.6
149.04498	2.6
150.03209	0.5
151.00307	13.2
152.01131	1.4
153.01871	1.2
161.02330	0.7
161.04506	2.3
163.00359	0.6
163.04066	0.7
165.01768	0.8
167.03349	0.7
169.01428	2.4
173.04599	0.5
174.03284	0.6
175.04018	1.1
177.01761	0.8
178.99815	18.8
179.03368	1.0
179.05623	1.1
185.00948	0.9
187.07597	0.5
189.05547	3.3
189.67818	0.6
189.69711	0.5
191.05624	1.4
193.01428	0.6
202.02733	0.7
203.03506	1.5
203.07077	0.8
215.03514	0.6
217.04959	0.6
230.02213	0.7
231.06609	1.0
232.07265	1.0
233.06665	1.6
233.08556	0.8
243.02907	0.6
243.06616	1.0
249.70581	0.5
258.01764	1.2
259.02316	1.1
269.04605	1.2
271.02539	1.8
271.06320	0.6
286.01312	2.5
287.01959	0.8
293.08798	9.5
302.04532	0.7
309.07639	0.7
313.78412	0.6
314.00787	2.4
315.01450	2.7
316.02246	3.8
369.06192	3.4
375.07211	0.7
377.07275	2.4
377.14600	12.5
378.14951	1.4
395.07852	3.2
396.08231	0.6
403.17950	0.6
405.18179	0.7
411.93616	0.6
412.07983	1.2
413.08798	10.1
414.09033	0.9
433.10849	0.7
462.08029	2.6
496.51379	0.5
499.18182	1.7
499.29297	4.3
515.05365	0.5
517.30237	1.5
521.33728	0.8
523.34900	0.8
559.14685	21.3
559.31342	9.0
560.14795	3.8
560.30341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.8
59.01265	2.4
63.96122	1.2
69.03329	0.9
69.27166	1.3
69.27583	4.1
71.01264	8.1
73.02839	2.4
78.98478	7.0
79.95619	10.6
80.96407	70.8
81.03355	1.0
85.02844	2.9
87.00774	3.2
94.97979	17.4
96.95885	2.8
97.02836	1.9
100.21951	0.5
101.02332	3.2
106.97990	4.0
113.02348	0.5
122.97489	6.1
125.02364	4.5
127.03944	0.8
131.77280	0.5
134.97501	4.6
135.02921	0.5
136.99110	1.4
143.03387	0.7
148.99086	5.9
151.00264	0.5
152.98567	8.1
152.99698	0.8
164.98576	11.4
178.99945	0.5
182.99652	1.9
205.64571	0.5
206.99664	3.5
209.11789	3.8
225.00734	24.1
226.01112	0.9
243.01807	2.7
299.04486	3.3
317.05685	0.6
339.94620	0.5
497.08600	0.6
527.18146	2.4
559.20746	100.0
560.12427	0.8
560.21124	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	559.3284
Annotation	15(S)-HETE-biotin
Peak:m/z	Relative Intensity
50.42124	0.3
57.03325	0.6
59.01262	31.5
60.53499	0.2
61.98705	1.5
64.87189	0.2
65.00220	0.3
67.67914	0.2
71.01263	2.6
71.04890	1.3
71.56003	0.3
71.56395	0.4
72.99228	0.3
73.02841	0.8
83.01286	0.2
83.04910	0.3
85.02860	0.3
87.00783	0.3
89.02335	1.0
89.35030	0.2
99.04404	0.4
101.02357	1.0
113.02364	0.3
121.02927	0.2
125.02372	0.6
130.02452	0.2
131.31381	0.2
135.04420	0.3
151.00298	1.4
152.01031	0.3
161.04446	0.3
163.03830	0.3
169.01314	0.3
170.36411	0.2
178.73665	0.2
178.99826	0.8
209.11787	1.8
211.13403	0.4
253.09337	0.3
271.02539	0.3
282.01651	0.3
295.02695	0.4
299.01990	0.3
300.02936	0.4
315.01489	0.4
325.07254	0.3
336.10364	1.3
336.60721	0.3
341.03000	0.3
349.03452	0.3
353.06299	0.3
367.56866	0.2
377.28564	1.6
379.30582	0.3
389.28662	0.5
407.29691	2.6
408.29715	0.3
409.27551	1.0
412.07797	0.4
413.09052	1.3
425.30673	0.4
451.28638	9.1
452.28833	1.4
454.15005	0.4
469.29721	7.7
470.30072	1.0
499.29849	0.4
541.31732	4.4
542.32220	0.7
559.15131	3.6
559.32843	100.0
560.14868	0.7
560.33191	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	561.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.2
69.94145	0.5
69.94553	0.3
71.01263	0.1
79.95613	2.2
80.96407	0.5
82.95982	0.2
85.33185	0.1
87.00740	0.2
96.95909	100.0
97.95845	0.4
102.53682	0.1
111.00816	0.2
111.43294	0.1
119.89494	0.1
125.02394	0.2
151.00317	0.2
178.99762	0.2
224.12567	0.1
263.25266	0.2
271.02377	0.2
287.01923	0.2
316.02213	0.9
317.02960	0.2
463.08838	1.3
464.09338	0.2
542.90363	0.1
543.00562	0.2
560.20917	0.8
561.21320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1628
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
50.95476	1.4
57.03336	3.5
59.01266	72.5
61.98716	28.5
63.02280	7.0
65.00196	9.8
71.01266	17.1
71.56496	2.6
72.99208	3.0
73.02827	4.2
75.00766	5.5
78.85448	1.6
81.03337	1.6
83.01270	14.5
85.02839	9.6
87.00797	2.3
89.02338	11.2
93.03386	2.2
95.01299	2.3
96.95932	12.7
99.00759	2.7
101.02339	11.0
107.01303	20.9
109.02853	3.9
113.02333	5.6
119.03441	4.2
119.04972	3.0
121.02851	2.8
123.04475	2.7
124.01576	3.2
125.02367	23.4
129.01855	1.9
133.02876	3.1
134.03673	26.7
135.02866	2.4
137.02374	12.1
139.03964	3.6
146.03673	2.0
149.06007	6.8
151.00310	74.0
151.03874	2.1
152.01099	7.5
153.01836	3.0
153.12788	2.4
159.08060	2.5
161.02351	3.0
161.04492	4.1
161.05901	3.0
163.00261	2.1
163.03874	2.1
164.01013	2.4
165.01857	4.1
167.03522	3.2
169.01413	10.9
171.10184	4.2
174.03094	2.7
175.07535	3.8
177.01877	4.4
178.02643	20.1
178.99815	59.9
179.05569	2.6
180.00104	2.0
187.04071	1.9
187.07579	2.2
189.01843	2.4
189.05522	1.9
190.02719	1.9
191.05589	3.2
192.00577	2.7
193.01360	10.5
193.05032	45.8
194.05437	2.4
197.11818	2.3
199.13371	3.0
203.03429	2.7
203.07130	25.4
205.01324	7.6
207.02937	5.1
209.11813	5.6
215.12872	2.6
217.01460	2.1
219.02905	1.9
227.12791	7.9
229.14467	7.2
231.03058	2.0
231.06633	3.1
233.00931	4.1
233.08075	1.5
235.09940	2.6
239.03470	1.8
240.99231	2.0
241.05107	2.4
243.03087	2.5
245.08249	6.7
253.09335	6.7
255.03027	2.3
256.03806	1.9
259.02454	8.9
263.20285	7.4
267.03140	1.8
267.19696	4.0
269.08212	1.7
271.02545	2.9
281.04575	1.8
281.21289	4.4
282.05359	2.3
283.02689	10.4
284.03082	1.6
285.00510	1.7
287.01962	4.8
295.02502	3.6
296.03339	5.9
297.03799	2.9
298.01285	7.9
299.01981	18.4
299.09320	2.4
300.02631	3.4
307.19159	3.9
309.04233	2.6
309.07736	3.3
310.98544	2.9
311.02103	44.1
311.05637	4.2
311.09091	8.8
312.02698	15.8
313.03745	2.6
313.07108	12.3
315.05090	2.7
316.02164	3.5
317.02643	2.9
323.05679	2.1
325.03583	3.0
325.07150	4.1
325.20346	2.4
327.08801	11.1
328.09079	2.2
337.07303	9.4
339.01553	2.8
339.08710	5.8
340.02243	17.7
340.05847	2.2
341.02957	2.9
341.06662	11.7
341.10483	3.7
353.06750	7.0
353.10538	2.5
355.08334	60.6
356.08789	6.1
365.06729	14.4
366.07288	4.6
369.09888	25.7
370.10162	4.0
383.07797	88.9
384.08133	10.7
385.09418	2.8
387.10886	4.4
397.09344	40.4
398.09821	3.8
414.09549	9.0
415.10403	91.4
416.10751	10.0
463.08618	3.1
464.08624	2.4
499.20035	2.1
501.23569	1.8
501.31442	10.9
526.15942	1.6
561.16254	100.0
561.25653	10.2
562.16681	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	561.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66884	0.2
57.03332	0.5
58.00460	0.2
59.01262	9.8
61.98717	2.4
69.03351	0.3
70.20253	0.7
70.20672	0.4
71.01263	4.6
71.01615	0.3
72.99204	0.4
73.02830	1.5
75.00757	0.3
83.01267	1.8
83.04910	0.3
85.02832	1.9
85.03254	0.2
87.00757	0.3
89.02335	2.6
93.03364	0.5
95.01275	0.3
95.04885	0.2
96.95914	0.9
97.02853	0.7
99.00764	0.4
99.04405	0.3
101.02338	3.7
106.04150	0.5
107.01261	0.2
107.04924	0.5
109.02846	0.7
109.06485	0.3
111.00789	0.4
113.02348	2.1
116.45959	0.2
119.03448	0.9
119.04971	0.4
121.02882	1.4
121.06500	0.2
123.04469	0.3
125.02310	1.4
127.43461	0.2
129.01849	0.2
131.03424	0.4
131.22060	0.2
133.02882	1.2
133.10159	0.4
134.03661	38.2
135.03030	0.4
135.04050	1.0
135.11726	1.4
137.02370	8.2
138.02698	0.3
139.03958	2.6
143.03433	0.5
149.02415	0.4
149.06021	13.6
150.03159	0.7
150.06337	0.4
151.00276	0.4
152.00931	0.2
159.08063	0.5
161.02448	0.3
161.04538	1.2
161.09662	4.0
165.01906	0.6
167.03452	0.3
171.10199	0.3
177.12723	0.2
178.02667	28.6
178.99783	0.4
179.03215	1.6
179.05565	0.8
179.10736	5.4
180.10965	0.3
185.09593	0.3
191.05476	0.3
193.05029	100.0
194.05356	6.3
197.11815	0.7
201.12868	0.4
203.03493	0.3
203.10693	0.6
205.08603	0.4
209.11775	0.4
211.13283	0.3
223.09764	1.1
229.08682	0.6
231.10217	0.6
235.06020	0.4
245.11861	0.4
247.09717	0.6
253.09311	0.5
261.11362	0.3
265.10794	1.4
289.10928	0.8
301.03201	0.3
302.04495	0.2
307.11853	1.1
307.19284	0.2
316.01666	0.3
325.20166	1.8
325.37631	0.2
343.15662	0.3
357.26465	0.3
367.09647	0.3
367.14035	3.9
368.14172	0.5
415.09436	0.3
439.28629	0.4
455.28091	0.3
457.29431	0.2
499.19830	0.9
501.23926	0.4
501.30780	4.7
502.31009	0.5
519.31824	1.5
561.19495	3.7
561.29517	1.5
562.19904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21779	0.6
57.03330	1.6
58.00471	2.9
59.01263	66.0
60.01607	1.0
61.98721	0.8
62.71249	0.6
65.00195	0.7
67.42460	0.7
69.30280	6.3
71.01267	45.4
72.99190	2.2
73.02834	15.0
74.08035	0.6
75.00774	1.3
76.85627	0.6
83.01289	1.2
85.02836	6.7
87.00766	2.2
89.02335	100.0
90.02664	1.0
95.01259	0.7
96.95908	15.9
97.02829	1.5
99.00782	26.6
101.02345	36.0
111.00752	1.0
113.02358	7.1
119.03417	2.7
123.04409	0.7
125.02368	6.2
131.03426	19.2
135.04428	0.8
143.03418	2.9
149.04494	68.8
150.04802	1.4
151.00275	1.3
153.01901	0.8
161.04500	4.7
177.01877	0.7
191.05574	19.8
221.06679	7.4
228.57790	0.8
251.07724	6.4
252.63150	0.7
261.41782	0.7
293.08804	3.1
300.02719	0.7
301.03424	0.9
305.91205	0.7
311.09964	5.1
357.34763	0.8
447.09625	1.2
459.64139	0.7
475.20016	0.8
486.19183	0.8
499.97269	0.7
501.32156	4.7
561.25885	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	561.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.8
58.00476	2.9
58.69785	0.7
59.01262	64.7
59.70321	0.6
60.01595	0.9
61.49935	0.6
61.98714	1.7
63.16781	0.7
69.40691	4.0
69.41107	2.3
70.83593	0.6
71.01267	48.3
71.04879	0.7
72.01620	0.8
72.99189	3.7
73.02832	15.1
83.01286	2.2
85.02842	6.8
87.00759	2.2
89.02332	100.0
90.02660	1.7
93.03391	0.8
96.95899	19.6
97.02849	2.3
99.00774	27.5
99.04382	1.0
100.01134	0.8
101.02342	45.8
102.02674	0.7
109.02856	2.4
113.02345	7.1
115.03904	1.3
119.03407	5.2
119.04962	0.9
123.04397	1.0
125.02355	8.6
126.90292	0.8
131.03427	21.4
135.02899	1.3
135.04390	0.8
135.59085	0.7
137.02336	1.2
137.09711	1.3
143.03459	4.8
143.04376	0.8
147.02913	0.7
149.04489	92.9
150.04846	1.2
151.00348	1.4
159.04626	0.7
161.04491	6.3
179.03354	0.8
191.05579	21.4
221.06648	10.0
238.88351	0.7
251.03581	0.8
251.07738	6.5
268.18155	0.9
275.07874	0.9
289.07336	1.9
293.08850	5.0
300.02737	0.7
301.03705	0.7
311.09860	7.5
361.25522	0.8
363.23532	1.4
371.26404	0.8
405.26758	1.3
407.07928	1.2
427.28824	3.8
429.26395	1.0
443.28055	1.3
445.29974	1.0
489.29160	2.1
501.32562	3.0
515.34473	1.0
517.28644	1.4
533.34882	0.9
561.26801	1.4
561.34460	8.6
562.35657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27206	0.4
55.01789	1.1
57.03323	1.7
58.00507	1.4
59.01262	23.3
61.98715	2.6
69.03365	1.0
71.01264	16.6
71.04939	1.5
72.99225	0.9
73.02833	4.0
75.95429	0.3
80.02604	0.8
81.03386	1.7
83.01275	2.4
83.04910	5.0
84.02097	1.4
85.02837	5.2
85.03268	0.5
87.00800	1.5
89.02333	13.4
93.03397	0.7
95.01308	1.4
95.04950	1.6
96.95954	1.6
97.02873	0.9
97.06512	1.7
99.00804	1.5
99.04420	2.1
99.08098	1.0
101.02340	13.9
102.02669	0.4
107.04939	0.4
108.02079	0.4
109.02827	1.7
109.06502	2.2
110.03677	0.5
111.00852	0.5
111.08076	0.6
112.05232	1.5
113.02351	6.8
113.03065	0.5
115.07534	1.8
119.03442	3.7
119.04933	7.5
120.05264	0.4
121.02901	1.1
121.06566	0.5
123.00814	0.5
123.04465	0.7
123.08087	0.8
125.02338	2.3
125.06049	0.8
125.09625	6.4
127.07575	4.8
131.03404	2.1
133.02907	0.8
134.03658	7.4
134.04634	0.5
135.04437	1.1
135.08105	3.2
137.02376	2.7
137.09682	1.1
138.06828	0.5
139.03969	0.9
139.07593	1.4
141.01866	0.5
141.09193	1.2
143.03439	1.5
145.01833	0.4
145.02933	0.4
149.04532	3.5
149.05968	2.7
151.00310	1.0
151.03963	0.8
151.11256	0.7
152.00999	0.4
153.09145	23.9
154.09543	1.1
155.10750	1.7
161.02444	0.5
161.04518	4.8
161.09677	0.9
163.03949	5.5
163.11243	3.8
165.01840	0.4
165.12784	2.8
171.10213	32.3
172.10588	1.8
178.02670	5.4
178.09940	3.7
179.00031	0.5
179.05568	2.6
179.10721	2.1
181.12305	1.2
183.13834	0.5
185.11810	7.4
186.12097	0.5
191.05588	1.2
191.10728	2.1
191.14386	1.1
193.05022	18.6
193.06551	1.5
193.12222	0.6
194.05341	1.0
197.11810	11.2
199.13463	0.6
207.10292	1.2
209.11807	65.3
210.12125	3.5
211.13329	2.3
219.13841	0.9
221.06703	0.7
225.11215	0.4
227.12828	1.1
229.65880	0.4
235.08182	0.9
236.10582	1.4
237.11305	0.7
237.14893	0.4
238.12062	2.9
239.04141	0.4
239.16594	0.6
245.19112	3.2
246.19661	0.4
251.16376	0.6
253.09293	33.7
254.09630	1.7
263.20200	1.1
265.17953	0.5
271.02621	0.8
271.06015	0.6
271.16971	0.9
272.02710	0.5
279.19614	1.3
281.21249	1.0
289.18143	13.5
290.18375	1.0
297.20776	1.9
299.01910	0.6
300.02679	1.0
301.03607	1.8
302.04214	1.0
307.19199	100.0
308.19531	8.2
316.01706	0.6
317.02194	0.6
318.02682	0.5
325.20242	52.8
326.20654	4.5
327.21704	0.4
367.13815	0.9
381.22437	0.7
399.23792	1.4
407.19055	1.3
447.09445	0.8
459.90295	0.4
474.21033	5.5
475.21521	0.6
492.21970	0.4
499.19446	0.5
501.23337	0.7
501.30383	2.1
502.30670	0.6
543.28217	32.0
544.28583	4.8
561.16071	2.1
561.28912	16.5
562.28900	2.6
564.66150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01593	1.0
61.98714	0.3
64.85200	0.1
71.15935	0.3
78.32622	0.1
79.22099	0.2
96.95950	0.3
98.19753	0.2
102.49168	0.2
119.14513	0.1
120.83519	0.1
137.79303	0.2
175.79430	0.2
323.22760	0.2
373.29269	0.2
442.71249	0.2
501.32654	0.3
503.34018	0.2
561.35474	1.2
562.35443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36040	0.2
55.75150	0.2
59.01263	100.0
60.01600	1.3
61.98714	0.5
68.03258	0.2
69.09098	0.2
70.64260	0.3
70.64591	0.5
75.00771	0.5
78.95806	0.4
82.43862	0.2
93.62737	0.3
96.95906	0.5
107.03735	0.2
119.08563	0.2
179.40434	0.2
193.26932	0.2
202.71890	0.2
207.23781	0.3
219.03973	0.2
221.79158	0.2
365.27731	0.3
391.30383	0.8
392.30276	0.3
400.25247	0.7
457.33286	2.4
458.33774	0.4
463.36768	0.2
489.35129	0.3
501.32373	6.3
502.32846	1.2
561.34509	2.1
562.30121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01608	1.2
70.06863	0.6
75.00768	0.5
78.95799	1.3
96.95926	0.7
98.19820	0.2
152.99593	0.2
169.70540	0.2
196.03786	0.3
199.13431	0.6
255.50943	0.2
276.37256	0.2
279.19720	0.2
319.11023	0.3
347.26511	0.3
365.27042	2.7
409.31171	1.0
441.29901	0.2
471.31284	3.3
472.31723	0.7
473.82880	0.3
491.03131	0.2
501.32639	0.8
529.27997	0.3
561.34772	7.0
562.32257	2.4
589.17407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01598	1.0
61.98713	0.6
70.95085	0.3
70.95426	0.2
75.00772	0.3
77.75078	0.1
78.95811	0.2
86.42177	0.1
113.40323	0.1
114.45177	0.1
115.13769	0.1
267.04733	0.1
389.28687	0.5
453.30487	0.5
455.31662	0.2
471.31033	0.2
501.32288	5.0
502.32660	0.8
561.28149	0.5
561.35675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.6
61.98679	1.1
70.43769	0.8
70.44186	1.0
75.00763	2.2
78.95794	7.4
85.06451	1.0
91.66316	0.4
140.01091	3.0
152.99461	0.8
153.12724	0.5
155.14326	1.0
165.12698	1.3
181.12311	0.9
196.03737	1.0
199.13370	16.4
200.13719	0.6
214.04811	3.6
226.07632	0.4
279.19702	7.4
280.20178	0.4
347.25925	5.6
363.25677	0.8
365.27017	100.0
366.23090	0.8
366.27380	9.2
406.03275	0.4
487.34439	1.2
488.34875	1.5
562.31671	26.3
563.32587	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	563.1207
Annotation	Theaflavin
Peak:m/z	Relative Intensity
54.05417	0.9
57.03334	12.1
59.01261	6.7
65.03854	1.2
67.01740	1.3
69.03342	1.8
71.01266	3.5
71.37753	1.7
71.38082	0.8
75.00767	0.9
77.03876	1.1
81.03336	6.9
83.01276	11.2
85.02847	5.4
85.36047	0.9
86.81542	1.0
87.00751	1.2
89.02344	1.4
93.03359	5.6
95.01260	1.7
95.04915	9.6
96.95931	1.2
97.02859	8.0
99.04414	4.0
101.02342	1.7
107.04913	3.3
108.02077	1.0
109.02856	8.1
111.04425	2.1
113.05981	3.1
121.02816	3.4
123.00782	1.6
123.04443	4.0
124.01564	1.6
125.02361	68.2
126.02647	1.0
131.03375	1.2
133.02852	1.1
135.04420	3.1
137.02370	56.3
137.06029	1.2
138.02737	1.8
139.03944	4.9
143.04948	1.0
146.03719	1.0
147.04594	1.0
149.02350	2.5
149.04518	0.9
151.00314	2.1
151.03920	11.6
155.03438	1.2
157.06526	2.6
158.03603	1.2
159.04439	4.6
160.05263	2.7
161.02429	1.3
161.05957	1.2
163.00276	2.6
163.03917	2.3
164.01083	9.1
165.01891	21.0
167.03452	29.8
167.04889	1.9
168.03799	1.4
169.06575	2.3
171.04475	2.1
172.05241	8.2
173.04488	2.7
173.05998	7.9
175.03909	1.7
177.01918	3.3
179.03423	7.8
181.05048	11.1
181.06575	1.4
183.02864	1.6
183.04414	1.1
185.06027	8.1
186.06734	1.7
187.03960	7.2
188.04752	2.6
189.05542	9.1
191.03644	1.8
191.05560	23.0
195.04460	3.2
196.05223	2.7
197.02406	1.3
197.06007	3.6
198.03201	1.7
199.03999	3.5
201.05553	16.6
202.06284	4.5
203.03403	2.3
203.07083	3.4
204.04265	2.6
205.05090	2.4
205.99043	0.9
209.06136	1.4
211.03938	8.3
212.04732	4.4
213.01964	1.4
213.05542	23.6
214.02690	3.2
214.05859	1.4
215.03488	10.9
215.07074	1.1
216.04269	2.9
217.05064	9.7
221.06065	1.3
223.03946	2.9
223.07651	1.6
224.04689	2.1
225.05540	7.2
226.02722	2.2
227.03418	9.8
228.04242	6.0
229.05046	23.1
230.05670	2.7
231.03012	1.4
231.06618	7.5
235.03850	1.7
236.04637	1.8
237.05603	2.4
239.03542	2.7
239.07146	2.7
240.04279	5.3
241.05064	100.0
242.02245	4.1
242.05440	7.7
243.03061	8.2
243.06577	1.7
244.03725	2.9
245.04602	2.8
248.04872	1.1
249.05551	2.9
250.06294	1.2
251.03532	4.9
251.06908	1.8
252.04297	1.9
253.05116	11.8
254.05719	2.8
255.03053	2.4
255.06473	1.1
256.03809	3.2
257.04568	34.1
258.05090	4.1
259.06116	7.2
261.05630	1.9
262.06442	1.1
263.07196	2.2
264.04276	1.0
265.05035	3.5
265.08499	1.2
266.05795	1.6
267.03015	1.7
267.06680	3.3
268.03876	1.2
268.07169	1.6
269.04590	35.0
269.07773	1.8
270.05106	4.0
271.06180	3.7
275.07263	2.7
277.05078	3.2
278.05966	1.9
279.03482	1.2
279.06543	4.7
280.03940	1.9
281.04645	12.5
281.07831	2.2
282.05243	2.4
283.06320	1.9
283.13440	43.1
284.13870	4.2
287.05774	2.9
291.06644	4.8
292.07376	1.4
293.04706	3.1
293.08295	4.0
295.06131	1.9
296.07126	1.3
297.07733	2.9
299.05646	2.7
301.14520	12.8
302.05786	1.4
302.14813	1.5
303.06622	2.8
304.07346	1.5
305.04694	1.7
305.08163	2.6
307.06247	2.3
307.09793	1.3
309.07663	4.6
309.15082	3.8
311.09314	2.9
313.07315	1.1
315.06665	1.4
317.04538	2.3
317.08218	2.2
319.06061	2.4
321.07687	3.5
323.05542	1.3
323.09024	1.6
325.10760	1.6
327.12408	1.8
327.16000	3.3
333.03827	1.4
333.07678	4.0
335.05667	1.5
335.09332	3.3
337.07135	1.9
339.08795	1.9
345.08044	2.4
345.13388	2.4
345.17078	41.6
346.17569	2.7
349.07141	1.5
351.08881	2.8
353.10345	3.8
355.08432	1.7
359.05655	1.7
361.07230	3.7
363.04953	1.3
363.08853	6.0
365.06656	1.8
371.15018	18.1
371.19894	1.6
372.15247	1.9
375.08887	2.2
377.06662	4.0
379.08270	12.6
381.09863	3.1
389.06656	10.3
389.16129	2.5
395.07779	8.0
397.09332	8.4
401.06747	3.1
407.07785	18.0
408.08322	2.6
419.07672	6.3
424.08008	5.5
425.08798	19.1
426.09280	1.5
437.08902	3.0
473.12881	1.2
477.12033	1.5
479.10165	1.4
483.10791	2.2
501.11926	2.8
503.24905	1.6
503.32184	1.9
509.09045	1.2
519.12823	5.5
523.81049	1.0
527.10004	3.6
545.10876	12.5
546.11591	2.7
562.30865	1.6
563.12109	94.9
563.21057	12.4
564.12555	14.9
564.21417	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	563.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	12.9
59.01264	18.8
61.98708	2.2
65.03849	1.1
67.01764	1.3
68.99689	0.8
69.03342	3.0
71.01266	5.5
71.04900	0.7
71.57702	0.5
72.99168	0.6
73.02840	1.8
75.00740	0.7
80.02552	0.6
81.03357	7.5
82.61124	0.5
83.01273	10.9
83.04929	1.9
85.02842	10.9
87.00764	1.7
89.02313	3.0
93.03356	7.7
95.01276	1.5
95.04926	8.7
96.95911	2.4
97.02856	7.1
99.00774	0.8
99.04399	4.3
101.02346	4.1
107.01298	0.6
107.04950	2.8
109.02876	7.2
111.04427	2.2
113.02364	2.4
113.06005	2.9
118.66908	0.5
119.04923	1.3
121.02863	3.0
123.00774	1.8
123.04465	2.8
124.01565	1.7
125.02367	58.4
126.02687	3.1
127.03927	1.7
129.01904	0.9
131.03452	4.1
134.03662	0.8
135.04453	4.6
137.02373	55.5
137.06001	1.1
138.02776	1.9
139.03943	5.0
143.04889	0.6
145.02962	0.8
145.06485	1.0
146.03648	1.2
147.04474	0.8
149.02385	3.0
151.00293	2.3
151.03944	10.6
153.01886	0.7
155.03427	1.9
155.05003	0.7
157.06526	2.3
158.03697	1.0
159.04440	3.1
160.05266	6.2
161.02393	2.7
161.04459	1.4
161.05934	1.0
163.00267	1.8
163.03987	2.2
164.01105	6.9
165.01883	20.2
165.05560	0.7
167.03458	29.1
167.04887	1.5
168.03690	1.3
169.06487	1.3
171.03012	0.7
171.04503	0.7
172.05246	13.6
173.02428	0.9
173.04472	5.0
173.06010	9.5
174.03122	1.1
174.06764	1.1
175.04001	3.3
175.07713	0.8
177.01843	2.6
177.05588	0.6
178.02527	0.6
179.03462	7.5
181.05031	10.0
182.05165	0.5
183.03006	0.8
183.04498	2.1
185.02357	0.5
185.06061	5.6
186.03288	0.7
186.06740	2.3
187.03990	8.1
187.07616	1.1
188.04742	3.4
189.01935	1.1
189.05553	7.5
190.02582	0.7
190.05882	0.6
191.01932	1.9
191.03758	1.7
191.05582	49.2
192.05899	2.2
193.04999	0.9
195.04454	2.1
196.05267	1.8
197.02377	1.5
197.06050	4.3
198.03191	1.9
198.06689	0.6
199.03922	4.9
199.07666	1.0
200.04742	1.8
201.05557	14.5
201.09024	0.7
202.06323	6.4
203.03491	2.1
203.07059	3.0
204.04231	4.3
205.01408	1.1
205.05006	2.2
207.02907	0.9
209.06056	1.5
209.15359	0.8
211.03987	6.9
211.07564	1.2
212.04803	4.2
213.05562	21.7
213.07616	1.2
214.02731	3.9
214.05913	2.9
215.03497	11.4
215.06932	1.5
216.04231	3.7
217.01543	0.9
217.05031	8.1
221.06030	0.8
223.04019	2.1
223.07651	1.2
224.04747	2.0
225.05565	7.2
226.02689	1.9
226.06125	1.2
227.03497	10.7
227.06963	1.2
228.04239	6.6
229.05061	22.4
230.05580	2.5
231.02951	0.6
231.06593	7.4
232.07033	0.8
235.04088	1.5
235.07788	0.5
236.04753	0.8
237.05551	2.3
238.06329	0.9
239.03523	3.3
239.07141	2.4
239.14334	0.9
240.04358	4.8
241.05074	100.0
242.02217	4.8
242.05447	9.5
243.02989	8.0
243.06596	1.3
244.03758	2.1
245.04568	2.1
247.07657	0.8
248.04819	1.2
249.05653	3.0
250.06320	1.5
251.03584	3.2
251.07043	2.9
252.04228	2.0
252.07837	0.7
253.05061	11.4
254.05771	2.4
255.03015	1.8
255.06660	1.3
255.13896	1.3
256.03845	2.8
257.04578	31.6
257.15497	2.3
258.05093	4.7
259.06100	6.7
261.05704	1.0
262.06677	0.8
263.03500	1.1
263.07144	3.2
264.04242	1.3
264.07776	0.8
265.05109	4.6
265.08676	2.3
266.05765	0.9
267.02988	1.1
267.06689	3.5
268.03857	0.7
268.06897	0.6
269.04593	34.6
269.07889	1.8
270.05017	3.2
271.03333	0.7
271.06088	3.9
275.07101	0.8
277.05063	2.1
277.08701	1.5
278.05801	2.1
279.03387	0.6
279.06760	3.8
280.03693	1.7
280.07111	1.0
281.04648	13.0
281.08087	1.8
282.05072	1.3
283.06458	1.7
283.13446	87.1
284.13736	6.8
285.04184	1.1
286.04858	1.6
287.05457	4.2
290.05853	1.0
291.06741	3.1
292.07376	2.1
293.04572	2.8
293.08246	2.9
294.05356	1.2
295.06204	3.1
295.09424	0.9
296.06680	1.0
297.04156	0.8
297.07690	2.0
298.04828	0.7
299.05692	1.7
299.16412	1.1
301.05023	0.6
301.14508	28.7
302.05713	1.1
302.14844	3.2
303.06671	3.1
304.07236	1.2
305.04965	1.3
305.08289	2.4
306.05469	1.0
307.06122	1.7
307.09656	1.3
309.04266	0.8
309.07568	2.8
309.15082	7.9
310.15573	0.8
311.05972	1.1
311.09290	3.0
311.12958	1.9
315.06635	1.0
317.04675	1.2
317.08197	1.3
318.05136	0.7
319.06070	1.7
320.06674	1.8
321.04224	1.3
321.07574	5.2
323.05643	1.7
323.09064	1.2
325.10956	0.8
325.14401	0.7
327.12308	2.1
327.16055	8.6
327.21872	0.8
329.13965	1.7
331.06226	1.4
333.07724	3.2
335.05640	1.3
335.09335	3.2
337.07266	2.2
339.08923	3.1
341.13870	1.3
343.05978	0.7
345.07895	2.4
345.13443	5.4
345.17123	65.6
346.13605	0.7
346.17465	7.7
347.05676	1.4
348.06348	0.9
349.07138	1.3
351.08759	2.8
353.06561	1.2
353.10309	3.1
353.14154	1.5
355.08182	1.6
357.07397	0.9
359.05740	0.9
361.07297	3.6
363.04913	1.0
363.08792	3.7
365.06549	1.7
367.08368	1.5
371.05692	0.8
371.15009	22.9
371.20700	6.6
372.15448	3.4
372.21066	0.5
373.07153	1.1
375.08679	2.3
377.06607	3.6
379.03989	0.8
379.08353	9.0
380.08624	1.0
381.09885	2.3
383.07596	1.7
389.06763	7.4
389.15796	3.4
390.07080	1.2
391.07925	0.8
393.10043	1.5
395.07843	6.7
397.09454	6.7
398.10010	0.7
401.06577	2.0
406.06818	0.8
407.07742	13.6
408.08148	1.9
419.08014	4.5
424.08246	2.7
425.08835	15.8
426.09219	2.7
437.08923	3.6
457.13174	0.7
459.10696	1.0
477.11557	1.1
479.09882	1.6
483.11304	0.9
501.11923	2.3
502.11844	0.8
503.24765	2.8
503.32202	2.7
509.08994	0.8
517.11536	1.2
519.12732	5.2
520.13037	1.1
521.33563	1.0
527.09882	2.0
535.12512	0.8
545.10950	9.3
546.11316	2.1
563.11975	69.2
563.21149	18.7
564.12341	15.4
564.21509	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01978	0.8
55.01770	1.9
56.17624	0.8
57.03329	6.0
59.01264	38.3
61.98723	4.4
65.00212	1.0
69.03355	1.9
70.58390	2.2
70.58768	1.5
71.01266	40.8
71.04915	1.7
72.99202	3.1
73.02835	17.2
75.00764	3.9
78.35418	0.8
81.03337	2.0
83.01276	4.1
85.02842	18.9
87.00768	3.2
87.04411	3.1
89.02336	20.2
93.03372	2.6
95.01302	3.6
96.95895	6.6
97.02876	3.0
97.06520	1.0
99.00777	8.9
99.04427	1.1
101.02345	28.1
107.01349	0.7
107.04901	0.9
108.02097	4.2
109.02850	3.4
111.00790	1.0
113.01605	1.3
113.02353	12.2
115.03924	1.0
119.03440	2.6
119.04955	4.4
123.04472	3.9
123.08107	1.2
125.02368	7.0
131.03421	4.4
134.03619	1.7
135.02908	2.7
135.04446	20.1
136.04774	1.1
137.02348	5.7
137.09666	2.4
143.03426	2.1
148.04044	1.6
149.02422	1.2
149.04485	7.8
149.09564	1.1
151.00348	3.7
151.03957	2.8
152.01089	3.3
153.01761	1.1
159.02914	2.5
159.04349	0.7
160.05247	1.3
161.02454	1.3
161.04478	8.8
162.62445	0.8
163.03952	3.7
164.01134	0.9
165.01935	1.6
166.05031	1.0
167.03474	1.4
171.10210	3.2
173.04521	3.5
173.05994	1.2
177.01889	2.8
178.99884	2.1
179.03458	17.7
179.05629	0.9
179.10854	0.9
186.06918	1.0
187.03973	3.4
189.01941	0.8
191.01938	2.7
191.05579	10.0
193.05080	1.0
195.02910	0.8
197.04471	0.9
203.03540	1.2
205.05194	0.8
209.15475	7.8
210.15732	0.8
213.05591	0.9
217.01471	1.3
233.06662	1.3
241.05058	2.1
243.06717	1.0
253.09338	3.8
258.05215	0.8
268.03751	1.5
269.04636	4.6
269.17581	4.5
271.02512	1.2
283.13528	1.9
283.19220	2.4
285.04315	1.1
287.05722	4.4
289.07217	1.0
293.09000	1.8
295.11020	3.2
298.16452	0.9
299.02026	1.2
300.02856	1.5
301.03564	2.7
309.14987	1.6
309.20615	1.1
321.08948	2.1
327.15988	2.2
327.21808	8.1
328.22116	1.0
329.13977	1.2
345.10950	1.7
345.17117	8.2
371.15240	3.3
371.20776	11.3
372.21271	1.2
471.26379	1.2
485.18079	0.9
488.14819	2.8
491.19220	1.2
497.70425	0.9
503.25067	100.0
504.25467	14.3
504.32739	1.5
519.29187	1.3
532.13745	2.5
563.17645	8.5
563.28186	4.0
564.15814	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.7
56.40744	1.3
57.03330	4.9
58.00474	2.6
59.01262	54.2
61.98714	14.3
69.03384	1.7
69.55529	6.0
69.55943	3.7
71.01267	52.7
72.99193	4.3
73.02830	20.2
75.00768	2.4
83.01280	9.3
83.04903	1.5
85.02842	20.4
87.00762	4.4
89.02335	32.5
93.03364	4.9
95.01270	4.6
96.95914	15.3
97.02862	2.9
98.95493	5.9
98.96368	1.4
99.00798	7.8
99.04433	1.9
101.02341	42.2
102.02648	1.5
107.25008	1.2
109.02821	2.5
111.00814	2.6
113.02353	20.5
114.93317	4.9
115.03883	1.7
116.92781	3.5
119.03391	4.5
119.04897	6.8
119.55901	1.3
121.02847	2.0
123.04448	2.5
125.02386	8.8
129.01833	3.1
131.03438	6.4
133.02921	1.6
135.02898	3.6
135.04486	7.8
137.02390	7.8
143.03421	2.6
149.04504	5.6
150.03087	1.6
151.00270	3.6
151.04007	1.7
152.08070	1.2
159.02931	4.5
160.05205	1.9
161.04521	10.9
163.03923	6.1
177.01886	2.0
178.99686	1.6
179.03416	9.1
179.05634	1.4
187.03966	4.7
189.01950	1.9
189.05560	2.1
190.06360	1.7
191.05559	3.1
206.62131	1.4
209.15482	6.1
271.02448	2.0
281.08868	1.6
283.09619	2.0
301.03287	3.1
311.09409	5.5
326.11545	3.7
341.13989	15.1
342.14307	2.2
345.17151	4.5
350.73590	1.4
371.20767	26.8
372.21225	2.6
381.09702	1.4
463.08746	2.0
474.42731	1.4
503.25058	100.0
504.25534	13.3
510.59903	1.6
533.11871	1.3
563.22461	4.0
563.31146	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.36
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61771	0.1
52.66254	0.1
59.01262	100.0
60.01595	0.8
61.98716	0.8
70.77386	0.1
71.01271	0.2
72.99175	0.2
78.95784	0.2
85.02850	0.2
89.02324	0.2
152.99556	0.4
161.34225	0.1
369.02310	0.1
503.34305	0.4
563.27460	0.2
563.35870	1.8
564.36322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3601
Annotation	Fungicide K 99-5278B
Peak:m/z	Relative Intensity
50.58892	0.1
59.01263	100.0
60.01599	0.9
61.98705	0.5
69.38478	0.4
69.38901	0.5
98.19832	0.2
103.91916	0.1
172.15482	0.1
181.79788	0.1
190.30478	0.1
197.29434	0.1
425.29114	0.1
503.33945	0.7
563.35968	11.0
564.28204	0.2
564.36322	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	563.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01608	1.1
61.01661	0.3
61.98712	3.6
66.49215	0.3
75.00748	0.4
78.95779	0.3
83.01225	0.3
89.02347	0.3
96.95930	0.3
98.97437	0.3
115.64664	0.3
122.14075	0.3
136.57407	0.3
196.87856	0.3
215.81586	0.3
377.28491	0.3
408.97360	0.3
415.12894	0.3
437.30746	1.0
455.31860	2.0
456.32132	0.4
471.31064	0.6
483.31342	1.1
503.33911	37.8
504.34238	5.3
563.26990	1.1
563.35809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03872	0.3
56.97441	0.3
59.01264	100.0
60.01607	1.0
61.98721	2.5
63.23066	0.4
69.92198	1.0
69.92614	1.0
71.01298	0.3
72.99226	0.4
75.00776	1.5
96.95882	0.5
98.19906	0.4
155.50249	0.3
156.46646	0.3
158.29024	0.3
162.46994	0.4
176.07228	0.4
176.08707	0.4
209.84917	0.3
366.27515	0.6
503.34299	1.4
504.33643	0.4
539.52661	0.4
563.27985	0.7
563.36157	7.0
564.36328	2.0
585.57141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	18.6
60.01601	0.9
61.98717	100.0
62.98419	0.4
71.56474	0.5
71.56871	0.4
74.72036	0.4
77.15472	0.3
125.02355	0.5
181.04353	0.4
195.18481	0.4
211.39117	0.4
218.43782	0.4
233.32610	0.4
301.36649	0.4
359.25458	0.4
503.34424	0.5
504.34314	1.4
564.36517	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	565.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.8
62.75424	0.2
69.56892	0.1
71.01273	0.3
72.99205	0.2
75.00738	0.2
85.02837	0.2
87.57505	0.2
99.00803	0.2
99.92483	7.4
100.92538	0.5
113.67392	0.2
114.93321	0.3
116.92772	100.0
117.92780	5.1
119.04964	0.2
137.02406	0.2
150.46837	0.2
151.00334	0.5
155.83479	0.2
163.03949	0.2
166.02742	0.2
168.03052	0.2
175.64079	0.2
178.99829	0.4
194.01057	0.3
229.90738	0.2
246.61102	0.2
255.03032	0.3
271.02625	0.8
299.01962	0.2
300.02771	1.6
301.03473	0.9
340.04575	0.2
353.94922	0.2
382.95370	0.2
403.13977	0.2
447.09387	1.6
463.07330	0.2
547.01978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61663	0.3
58.00499	0.3
59.01264	8.0
59.33504	0.3
61.98737	0.4
63.02280	1.4
65.00211	1.8
65.03842	3.4
65.49155	0.3
68.02940	0.3
71.01270	3.8
71.57837	0.5
72.68343	0.2
72.99194	1.0
73.02826	0.8
81.33401	0.2
83.01271	1.8
85.02842	1.0
87.00824	0.2
89.02340	3.8
91.01810	0.6
93.03345	3.3
96.95930	0.6
97.02882	0.3
99.00826	0.5
101.02335	1.8
103.03915	0.4
107.01296	3.4
107.04933	6.9
108.02075	0.7
108.05281	0.4
109.02856	6.8
110.03215	0.3
113.02373	0.5
115.00285	0.3
116.92807	0.3
119.03400	0.5
121.02856	0.5
121.13921	0.3
124.01625	0.4
125.02367	1.2
127.03990	0.3
130.83853	0.2
133.01353	0.8
133.02885	0.5
133.04980	0.7
135.00818	1.1
135.04454	3.0
136.04828	0.3
137.02354	1.0
145.02905	0.5
149.02341	0.7
150.03160	0.8
151.00333	12.2
151.03943	100.0
152.00827	0.4
152.04289	3.5
153.01848	1.2
153.05441	0.4
163.03973	2.5
163.06093	0.5
165.05493	0.3
167.38144	0.3
169.01352	1.8
175.03952	0.8
177.05428	0.4
178.99825	15.4
179.03323	1.8
180.00177	0.7
183.04520	0.3
185.06050	0.4
187.03999	0.9
189.05585	0.6
190.06303	0.5
191.03481	0.3
193.01378	1.1
193.05072	0.3
195.04543	0.4
198.03227	0.3
199.43422	0.3
202.06310	0.5
203.06985	0.4
205.05031	0.9
211.04047	1.4
212.04596	0.4
213.05548	1.4
219.02946	0.9
219.06776	0.3
220.07426	0.8
223.03975	0.6
227.03423	0.7
229.05113	2.8
230.42387	0.3
235.09778	0.6
239.03534	4.6
239.15292	0.2
240.04015	0.6
241.05099	2.4
249.05595	0.3
250.56670	0.3
251.03603	0.7
255.03035	0.7
257.08228	38.1
258.08630	2.7
267.03018	5.0
269.04190	0.3
284.03384	0.3
285.04288	0.6
317.04611	0.4
319.05936	0.3
333.03876	0.4
341.10321	1.0
345.04059	0.4
347.05441	0.4
356.12836	0.8
357.04062	0.4
359.05511	0.4
361.03397	0.4
365.06543	0.5
371.15320	0.7
373.03403	0.3
375.05200	4.0
376.05566	0.6
391.04468	0.4
393.06268	2.3
401.03207	2.3
401.16104	11.1
402.16504	1.4
403.04599	2.5
419.04187	2.6
420.04672	0.4
421.05746	8.1
422.06036	0.7
429.02606	0.6
431.10049	1.0
432.10159	0.4
437.05295	0.3
447.03641	4.6
448.03879	0.6
465.04681	7.9
466.05057	1.3
505.26083	0.7
519.05988	0.5
537.06464	0.3
547.05463	2.7
548.05371	0.5
565.06580	4.7
565.19287	40.2
566.06305	1.0
566.19641	6.1
585.88251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2797
Annotation	Aristophyll A
Peak:m/z	Relative Intensity
50.32691	4.4
59.01264	56.9
61.98718	47.0
67.12982	4.4
71.45242	10.2
79.95636	4.8
82.99219	4.6
95.61343	4.5
96.95908	23.0
120.95757	5.6
197.14697	4.5
213.39835	4.7
253.09259	22.1
261.17136	5.0
293.21234	44.9
521.29541	17.3
565.28204	100.0
566.28534	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	565.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
56.31767	0.6
57.03321	1.0
58.00471	3.0
59.01263	100.0
60.01617	0.8
61.98707	2.0
63.08852	0.6
69.03341	0.7
70.71452	1.6
71.01270	47.9
72.99194	3.6
73.02831	3.3
74.10913	0.5
83.01282	3.0
85.02838	7.5
87.00788	1.7
89.02336	72.3
95.01292	0.9
96.95923	2.6
98.95499	1.2
99.00760	4.8
101.02345	32.8
101.23338	0.6
109.02878	1.0
113.02353	11.9
119.03420	10.4
119.04990	0.6
121.02904	0.8
125.02335	3.7
129.01830	2.9
131.03424	57.0
132.03787	1.5
135.02922	1.5
135.04507	0.9
137.02394	0.9
143.02365	0.8
143.03371	2.8
147.54620	0.6
149.04495	60.9
150.04840	1.8
161.04507	4.1
165.05525	0.6
173.04553	0.9
174.01755	0.7
177.02089	0.6
178.76604	0.5
178.99893	0.7
179.05586	12.8
179.07173	0.8
191.05580	34.5
192.05940	1.1
221.06725	3.7
251.07822	4.7
281.08698	0.8
293.08716	0.7
299.02332	0.8
300.02957	0.7
311.09885	4.6
342.23279	0.6
361.16953	1.1
373.22354	4.9
374.23105	0.7
404.95642	0.6
463.93082	0.7
505.26663	9.8
506.27396	1.4
565.19312	0.6
565.28845	1.2
566.11365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03324	2.6
58.00472	2.9
59.01264	80.0
61.98730	2.2
62.59817	1.0
69.36709	3.6
69.37128	6.4
71.01269	67.0
72.01617	1.9
72.99197	4.7
73.02836	19.2
75.00765	4.5
83.01277	3.5
85.02843	12.6
87.00759	3.2
89.02335	100.0
90.02670	1.3
93.03385	1.1
96.95911	2.2
97.02840	1.9
98.20509	1.9
98.70249	1.0
99.00778	33.2
101.02345	46.4
102.01847	1.7
105.69051	1.0
108.02125	1.2
109.02880	1.8
113.02348	14.3
115.06921	1.0
119.03425	5.0
119.04971	1.8
121.02885	1.4
125.02370	7.5
131.03424	21.5
135.02922	4.2
135.04439	1.8
137.02382	1.2
143.03433	2.8
149.04489	62.4
150.04820	1.4
151.00330	1.8
151.16142	1.1
159.02977	1.1
161.04483	9.1
168.55020	0.9
177.01959	1.1
178.99818	1.2
179.03490	2.7
179.05513	2.6
191.05577	16.2
221.06642	5.9
251.07751	10.7
272.02908	1.1
293.08719	2.8
300.02914	1.4
301.03223	1.3
311.09836	4.4
373.22394	28.1
374.22763	3.5
385.12955	2.0
505.26675	84.6
506.26999	12.7
565.16492	1.6
565.29761	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.2
57.03335	3.2
58.00465	1.1
59.01264	47.5
60.01595	0.9
61.98720	6.6
64.02059	0.3
66.27306	0.3
68.69129	0.3
68.99715	0.5
71.01268	34.6
72.01603	0.4
72.99210	2.3
73.02837	11.7
75.00758	1.4
76.72932	0.4
78.95809	0.4
81.03348	0.4
83.01273	6.8
83.25755	0.4
84.02058	0.4
85.02842	18.7
86.00003	0.6
86.03178	0.7
86.15710	0.4
87.00768	2.5
89.02331	7.8
93.03365	0.5
95.01292	3.1
96.95924	1.0
97.02825	1.2
98.19838	1.0
99.00784	5.3
99.04392	0.5
101.02345	26.5
102.02659	0.6
103.73170	0.4
109.02846	0.6
111.00796	3.8
113.02354	13.7
116.92752	0.9
119.03398	2.6
119.04878	0.5
125.02368	2.2
129.01849	1.3
131.03392	0.5
133.02853	0.5
135.02936	0.4
135.04443	0.6
135.11694	0.5
137.02367	1.1
141.01822	0.5
143.03423	1.6
149.04501	0.9
159.02901	2.1
161.04480	7.9
171.13861	3.5
179.05548	0.9
313.24286	0.5
316.82260	0.4
328.95190	0.4
343.28638	5.3
344.29236	0.6
347.17523	0.4
416.30222	0.4
433.28152	4.5
434.27863	0.5
459.53210	0.4
505.33923	100.0
506.34219	17.9
565.23352	0.6
565.32361	11.8
566.32587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.8
57.03326	2.4
58.00483	1.1
59.01263	44.6
60.01604	0.5
61.98721	2.8
67.14407	0.5
69.03336	0.8
70.94547	0.5
70.94885	1.1
71.01269	32.3
72.99189	1.7
73.02834	11.2
75.00739	1.0
83.01274	6.2
85.02840	18.2
85.99977	0.6
86.54877	0.5
87.00773	1.6
89.02335	8.3
95.01289	3.7
96.95901	0.6
97.02877	1.0
97.06570	0.5
99.00785	4.2
101.02342	24.7
101.85320	0.5
102.02669	0.6
111.00769	2.6
113.02351	13.3
119.03439	3.1
121.10156	2.6
125.02322	1.2
129.01884	1.3
131.03445	0.5
137.02313	0.5
141.01845	0.8
143.03429	1.6
159.02885	2.1
161.04507	9.7
179.05540	1.2
185.15388	1.8
316.40131	0.5
343.28580	4.3
345.07300	0.5
381.13025	0.5
449.15192	0.5
465.92834	0.5
487.31570	0.5
505.33926	100.0
506.34219	11.4
565.29443	0.8
594.55469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97764	0.1
55.70767	0.1
57.03329	0.3
59.01265	3.4
60.01597	0.2
61.98716	100.0
62.98415	0.2
63.65828	0.1
65.03850	0.4
70.33483	0.5
71.01271	0.7
72.99210	0.2
73.02825	0.2
75.00771	0.5
81.03365	0.1
83.01288	0.4
83.04911	0.2
85.02868	0.4
86.59941	0.1
89.02353	0.5
91.65578	0.1
93.03364	0.3
96.95933	0.3
99.00789	0.2
101.02371	0.4
107.04933	0.8
108.02095	0.3
109.02872	1.5
116.92759	0.7
119.04940	0.8
120.99568	0.2
123.04514	0.2
125.02370	1.5
134.03693	0.2
135.02966	0.5
135.04428	0.7
137.02394	0.6
151.00331	0.4
151.03949	9.0
152.01086	0.2
153.01849	0.2
161.02438	0.1
161.06075	0.2
163.03995	0.6
164.01060	0.2
165.01923	0.2
165.05511	0.2
167.03496	0.2
178.02689	0.2
178.99931	0.1
179.03511	0.5
185.06024	0.2
197.91078	0.2
228.07571	0.2
229.49158	0.1
255.06680	0.1
271.06314	0.4
272.06583	0.7
273.07764	3.2
438.37518	0.1
504.26074	0.2
505.26175	0.2
506.25891	0.9
537.99670	0.1
565.44263	0.2
566.16162	2.1
567.16699	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	566.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	9.3
60.01597	1.2
61.01691	1.4
61.98716	100.0
62.98417	0.1
70.64198	0.4
79.07636	0.1
79.29480	0.1
79.95625	0.3
95.95179	0.1
96.95892	0.7
98.27415	0.1
103.69421	0.1
107.27362	0.1
113.93468	0.1
116.92809	0.1
118.73280	0.1
219.06104	0.1
264.44714	0.1
266.92203	0.1
284.31039	0.2
485.33151	0.2
522.29877	1.3
523.29730	0.2
565.36859	0.2
566.28906	5.6
566.37054	0.9
567.28534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	17.0
61.98705	1.2
63.82529	0.3
69.32348	2.4
69.32751	0.6
78.95787	6.4
79.96803	0.4
80.11278	0.3
80.96370	0.8
88.98714	0.5
110.70715	0.4
152.99510	1.1
168.04222	1.2
224.06828	0.5
242.08005	2.3
267.23331	100.0
268.23682	8.3
283.07040	0.3
323.25494	0.4
471.34753	1.9
472.35196	0.6
485.32687	0.9
492.31042	37.8
493.31357	5.4
493.96634	0.4
566.27032	1.4
567.32971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52445	0.2
57.03336	0.2
59.01260	3.8
61.39093	0.2
61.98712	3.6
61.99013	0.3
65.03844	3.7
69.03331	0.1
70.58733	0.5
71.01265	0.8
72.19177	0.1
72.99181	0.2
73.02838	0.3
75.00766	0.3
81.03371	0.3
85.02844	0.4
89.02350	0.7
91.01790	0.6
93.03362	0.3
95.01289	0.2
96.95890	0.9
97.02866	0.2
99.92474	0.3
101.02334	0.4
107.01264	0.2
107.04929	6.6
108.02085	0.4
108.05282	0.3
109.02853	11.1
110.03194	0.3
113.02337	0.2
116.92760	3.2
117.92784	0.3
118.30003	0.2
119.04945	1.1
120.99527	0.5
121.02879	0.7
122.03648	0.2
123.04406	0.2
125.02358	1.4
133.02873	0.5
135.00821	1.1
135.02927	0.6
135.04422	0.6
137.02367	0.4
145.02907	0.5
149.04463	0.2
150.03152	0.4
151.03938	100.0
152.01100	0.3
152.04279	4.0
153.01834	0.8
161.02364	0.2
163.03951	5.1
164.04326	0.2
165.01802	0.3
165.05537	0.3
167.03494	0.3
179.03453	0.5
179.05518	0.2
180.03987	0.2
193.05183	0.3
194.05469	0.2
195.06677	0.2
205.05206	0.2
253.05096	0.2
255.06549	1.3
273.07724	37.8
274.08026	3.1
288.64819	0.2
297.11322	0.3
314.02884	0.1
346.64722	0.2
405.09763	0.5
449.21823	0.2
507.32864	0.8
537.21216	0.2
549.15863	0.2
567.17236	24.1
567.25421	1.2
568.17596	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03331	0.5
59.01266	7.0
61.98716	2.9
67.01796	0.4
68.99712	0.9
69.03344	1.3
71.01270	2.0
72.99201	0.8
73.02840	1.1
75.00762	0.8
79.01775	0.4
81.03355	2.1
83.01286	1.1
85.02843	1.6
87.00778	0.7
89.02354	1.0
93.03352	4.7
93.94389	0.3
94.03709	0.3
95.01283	6.9
96.95922	2.2
97.02865	1.3
99.04391	0.4
101.02352	2.2
105.03377	1.0
107.01298	5.8
107.04974	0.6
108.02109	0.4
109.02866	2.5
111.00791	0.7
111.04442	0.6
113.02362	1.2
119.03400	0.5
119.04906	0.7
121.02859	2.6
123.00807	6.0
123.04443	1.3
124.01586	3.5
125.02367	14.5
126.02710	0.5
133.02910	1.1
134.03624	0.5
135.00793	0.7
135.02927	0.6
135.04442	1.8
136.01578	0.4
137.02377	12.7
138.02728	0.6
139.03928	0.4
141.01865	1.6
143.03406	0.3
149.02371	1.7
149.99533	42.4
151.00316	23.1
151.03891	1.6
152.00873	0.6
161.02419	0.8
161.04492	0.7
163.00330	1.8
163.03967	1.1
165.01878	4.1
165.05479	0.3
166.99832	0.5
167.03400	1.4
167.99168	0.7
168.00607	12.9
169.01390	11.5
170.01695	0.5
175.00330	0.4
176.01007	0.3
177.01886	1.3
178.99802	0.6
179.03493	1.5
181.01401	0.6
183.59380	0.3
191.03442	0.7
193.01402	5.5
193.05011	0.4
195.05070	0.4
200.01213	1.3
205.01366	0.7
211.02429	0.3
229.53859	0.3
239.48802	0.4
242.04417	0.3
243.06602	0.7
259.06012	0.6
287.22412	0.5
289.07205	0.4
371.15228	0.4
374.22443	0.4
431.11768	0.4
441.10318	0.7
449.27438	1.6
459.11551	100.0
460.11865	10.8
462.06946	0.4
507.18909	0.3
507.33475	0.4
567.26935	3.2
568.27753	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	2.8
59.01265	37.8
61.98718	19.3
69.81213	16.0
71.01276	25.8
71.74210	2.5
72.99191	6.3
75.00757	11.1
80.96389	3.4
85.02863	7.3
87.00769	3.6
88.98714	4.5
89.02341	22.2
93.03324	3.3
95.01285	4.6
96.95911	11.3
98.19827	6.3
99.92503	7.0
101.02365	8.6
109.02854	4.1
110.82750	2.6
111.92091	3.2
113.02356	7.0
116.92772	100.0
117.92770	7.0
119.03448	8.0
119.04962	6.6
123.04472	4.0
125.02357	11.1
135.02916	9.3
135.04410	6.6
137.02390	6.5
139.03917	12.1
149.04422	3.3
150.10254	3.1
151.00308	5.8
151.03975	4.1
155.94638	3.0
161.02411	4.5
162.03127	3.2
174.01625	11.8
179.03433	6.8
179.05566	3.4
193.04984	3.6
195.06569	3.2
269.07996	5.3
271.02673	3.2
299.09412	4.4
300.02322	3.0
311.09241	6.2
314.11670	9.2
315.08768	3.2
315.12180	5.7
326.11673	6.6
329.13974	34.4
341.14102	17.7
345.09830	3.5
345.22726	5.4
399.25409	3.3
405.15900	3.5
567.15851	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	567.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
60.89939	0.9
61.98719	2.2
63.96124	1.0
71.01273	6.8
71.57469	1.1
71.57833	1.1
72.99190	1.5
73.02831	1.7
73.73371	0.9
78.95777	3.8
78.98483	5.2
79.95618	8.2
80.96411	60.7
85.02831	1.9
87.00766	2.6
92.15067	0.9
94.97991	14.2
96.95885	1.4
97.02834	2.1
101.02332	2.3
101.89497	0.9
106.97995	2.3
122.97488	4.5
125.02370	3.5
126.78510	0.8
127.03920	1.4
134.97523	3.0
136.99046	1.3
139.92603	1.0
148.99054	5.0
151.00285	1.2
152.98535	5.6
152.99619	1.7
153.91360	1.0
164.98586	9.7
178.99890	1.4
182.99644	1.8
206.99686	3.2
225.00735	15.5
225.02751	1.4
242.58487	0.9
243.01942	1.2
245.04372	2.6
245.41653	1.0
267.23322	2.8
299.04599	3.7
450.12292	1.5
482.26190	3.0
566.38696	1.1
567.28583	100.0
568.29047	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3314
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
59.01194	1.4
61.07299	0.4
61.98656	11.6
71.57945	0.8
78.95773	0.5
96.95843	1.7
104.00358	0.4
122.80524	0.4
171.10152	0.5
188.99419	0.5
349.57346	0.4
485.32843	100.0
486.33231	17.1
514.13135	0.5
567.33185	73.2
568.33588	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	567.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.5
59.01258	4.7
61.98714	7.1
66.36420	0.8
69.45416	9.0
71.01295	1.1
76.51531	1.0
80.02567	2.7
81.03366	3.1
83.04914	8.3
84.02078	3.6
95.04919	1.7
96.95895	1.8
97.02843	2.4
97.06476	1.8
109.06499	2.6
123.04431	2.9
123.99970	1.0
125.09675	5.3
127.07599	1.5
135.08080	3.5
137.09679	2.3
141.05498	2.6
153.09171	8.0
163.11250	9.7
165.12769	5.5
171.10216	12.2
172.10565	1.1
177.09212	1.0
177.12895	1.5
181.12347	1.6
185.11848	6.5
191.10718	1.8
191.14423	6.2
207.10329	2.8
209.11827	100.0
210.12141	6.1
211.13280	1.5
225.11401	3.4
227.12889	21.7
228.13132	1.4
245.19174	16.3
246.19299	1.2
265.25348	1.3
271.17096	1.9
289.14865	1.1
289.18158	62.4
290.18515	4.6
307.19226	83.8
308.19504	7.9
325.16632	2.1
325.20261	27.5
326.20602	3.0
329.59088	1.2
345.20630	1.7
363.21863	1.3
499.30679	2.9
517.31769	4.3
518.32422	1.2
535.32788	4.1
552.80377	1.0
567.30243	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	568.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.3
57.03328	0.2
59.01260	4.9
60.01610	0.3
61.98714	100.0
62.98402	0.2
69.48986	1.2
71.01266	3.0
72.01595	0.3
73.02837	1.1
75.00784	0.2
78.95820	0.2
83.01292	0.6
85.02842	1.5
87.00787	0.2
87.04405	4.8
89.02325	0.9
95.01290	0.3
96.95930	0.3
97.02880	0.2
99.00787	0.6
101.02348	2.2
102.02678	0.3
111.00790	0.2
113.02351	1.2
119.03442	0.2
125.02375	0.4
135.04419	0.2
137.02318	0.2
143.03423	0.1
149.04543	0.2
151.00323	0.2
161.04530	0.7
178.99829	0.2
201.91370	0.1
209.11836	0.5
211.13371	0.2
244.15686	0.1
297.81149	0.2
315.01501	0.3
345.30212	0.2
346.30377	0.3
421.20752	0.4
507.35400	2.7
508.35748	8.5
509.26270	3.0
509.36139	0.6
568.26495	0.2
569.28729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32749	0.1
55.01769	0.4
57.03332	0.5
57.27508	0.1
59.01263	14.5
60.01602	1.0
61.98715	100.0
63.99101	0.1
65.00230	0.1
69.03358	0.2
70.13988	0.4
70.14368	0.3
71.01266	6.9
72.01601	0.6
72.99208	0.3
73.02831	2.0
74.03180	0.2
75.00758	0.4
78.95812	0.3
83.01270	1.4
84.01620	0.2
85.02843	3.7
86.03177	0.5
87.00779	0.3
87.04408	3.0
89.02348	0.9
95.01294	0.4
96.95900	0.3
97.02892	0.2
99.00771	1.1
101.02341	5.3
102.02699	0.7
111.00806	0.5
113.02349	2.7
113.03068	0.1
114.02705	0.4
119.03429	0.3
119.47654	0.1
125.02373	0.7
131.03391	0.3
133.02888	0.3
135.02916	0.2
135.37389	0.1
137.02396	0.2
141.01732	0.1
142.74667	0.2
143.03429	0.3
151.00322	0.3
152.99446	0.2
159.02930	0.5
161.04512	1.9
162.04880	0.4
168.04309	0.1
171.10301	0.2
178.02675	0.2
178.99805	0.3
209.11806	1.2
211.13445	0.2
271.02469	0.2
287.01950	0.2
288.08725	0.1
299.25894	0.2
300.26462	0.4
314.34372	0.1
315.01422	0.2
345.17029	0.2
345.29926	0.8
346.30554	1.2
372.14453	0.2
374.14410	0.2
377.21799	0.8
463.09027	0.2
507.35446	6.3
508.35806	22.5
509.25674	0.3
509.36081	1.6
568.29724	0.3
569.27435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.1
61.98717	3.4
69.76366	0.8
69.76777	0.4
71.01269	0.5
78.95811	0.5
79.95634	2.9
80.96411	0.3
89.02330	0.2
95.95142	2.2
96.95912	36.8
97.22849	0.2
98.95519	0.3
101.02322	0.3
110.39844	0.2
131.23523	0.2
134.74548	0.2
197.74672	0.2
267.05450	0.2
314.67404	0.2
335.11743	1.2
443.78348	0.2
455.17386	0.6
521.26062	0.2
539.23236	0.6
569.27979	100.0
570.28302	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03336	1.2
58.00499	0.3
58.66191	0.3
59.01259	10.5
59.69219	0.3
61.98714	83.9
62.98439	0.4
69.03341	0.9
69.11829	0.3
70.88362	0.3
71.01263	10.6
71.56334	0.4
71.56723	0.4
72.01630	0.3
72.99189	0.8
73.02836	4.2
74.62598	0.3
75.00756	0.7
77.04443	0.3
77.40154	0.3
78.95783	0.8
81.03309	0.3
83.01279	1.6
85.02851	4.1
87.00792	1.2
87.04406	100.0
88.04725	1.6
89.02335	5.5
93.97329	0.4
95.01315	0.5
96.95915	1.5
96.96867	0.4
97.02850	1.3
99.00788	2.5
101.02349	6.3
102.02699	0.6
106.35625	0.4
109.02832	0.8
113.02360	2.6
115.03918	0.9
115.68732	0.3
124.01577	0.4
125.02357	2.2
131.03395	1.0
134.03647	0.4
135.04485	0.6
137.02390	0.7
143.03426	0.7
145.12303	0.7
149.04507	1.3
151.00290	0.4
152.01105	0.4
159.02911	0.6
161.04495	1.3
163.47420	0.3
171.10204	0.3
178.02689	0.7
209.11792	0.9
211.13393	0.4
233.06653	0.8
289.16562	0.6
293.08771	0.4
307.17371	0.4
344.12814	0.4
345.16837	0.6
356.12830	0.4
371.14987	0.4
377.21750	2.4
421.20883	6.1
422.21146	1.2
439.22049	0.6
508.35718	1.7
509.26132	52.4
509.35306	2.4
510.26361	6.8
569.28094	3.0
570.27991	0.7
575.10272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.301
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
63.23648	1.4
71.01266	6.4
78.98470	6.2
79.95638	7.8
80.96410	62.2
85.02837	3.5
87.00738	1.7
94.97984	18.0
101.02348	2.6
106.97981	1.7
113.02384	1.4
122.97443	2.7
125.02372	3.6
134.97495	4.3
148.99083	6.2
152.98541	6.4
159.95053	1.5
164.98573	13.9
206.99696	2.7
224.98654	2.1
225.00729	17.5
299.04312	2.3
313.15274	1.7
569.30121	100.0
570.30518	13.1
598.46649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41210	0.3
57.51671	0.3
58.72650	0.4
59.01243	0.5
61.98687	0.6
63.47622	0.3
71.57835	0.4
71.58242	0.6
122.96181	0.4
139.13358	0.3
171.20421	0.3
210.12048	0.5
318.08752	0.4
318.15619	0.4
397.98325	0.4
487.34381	100.0
488.34720	16.4
488.41916	0.8
569.34705	69.0
570.35010	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
61.98713	0.6
69.28552	0.8
69.28976	2.4
77.11369	0.2
80.91563	0.7
88.77953	0.3
91.03921	0.3
113.31736	0.3
124.30389	0.3
129.19231	0.3
161.16710	0.3
263.04538	0.3
307.19507	0.3
363.05356	0.3
414.66116	0.3
487.34366	100.0
488.29211	0.4
488.34711	13.9
569.34674	68.2
570.35022	12.2
571.33905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.9
59.29868	0.1
61.98714	100.0
62.98418	0.2
64.74326	0.1
69.52171	0.8
71.01290	0.3
73.02869	0.1
83.01289	0.1
85.02856	0.1
89.02330	0.2
95.01301	0.2
96.95903	0.2
101.02364	0.2
103.34801	0.1
109.02849	0.1
123.77110	0.1
125.02383	0.1
133.01375	0.1
135.04427	0.2
137.02354	0.1
148.11046	0.1
150.03114	0.1
151.00333	0.1
161.04579	0.1
209.11859	0.2
291.33267	0.1
306.62088	0.1
361.68628	0.1
509.36310	0.1
510.36224	0.7
570.28204	0.2
571.29047	0.1
577.26263	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
60.01557	0.1
61.98717	100.0
62.98423	0.1
66.54136	0.1
69.03333	0.2
71.01264	0.2
71.06834	0.3
75.00780	0.1
85.02859	0.2
87.04406	1.1
88.04720	0.1
89.02344	0.2
92.71381	0.1
101.02341	0.2
125.02386	0.2
135.03006	0.1
135.04411	0.2
155.78024	0.1
161.02330	0.1
209.11896	0.1
216.08058	0.1
217.06561	0.3
422.47778	0.1
509.35983	0.2
510.36676	0.4
570.28528	0.2
571.28491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43763	0.9
57.03335	4.0
58.72336	0.9
59.01264	4.5
69.03334	4.1
71.01262	2.3
71.32983	1.6
75.00761	12.2
81.03341	3.3
83.01292	2.8
85.68573	0.9
89.02340	3.0
95.04915	2.2
96.95891	1.9
97.02845	3.4
99.00769	1.4
99.04424	1.5
101.02400	1.1
109.02852	1.4
119.04948	1.5
121.02856	1.4
123.04425	2.2
125.02364	18.9
135.02928	17.7
135.04507	1.6
136.01538	0.9
137.02373	18.4
137.78822	1.0
139.03979	1.4
149.02377	2.1
149.06078	1.0
150.03125	1.4
151.03995	2.2
159.08122	1.4
163.03995	2.7
165.01863	12.5
165.05524	1.6
167.03450	22.0
169.06400	0.9
171.04440	1.2
172.05321	1.5
173.06015	3.0
175.03938	1.5
179.03450	1.7
185.00888	3.0
185.06035	2.8
187.07639	2.7
196.05380	2.0
197.06052	16.6
198.03165	1.3
198.06462	1.7
199.03981	4.3
199.07492	1.5
200.04752	2.7
201.05550	3.4
203.03574	1.6
208.05305	0.9
211.03958	1.8
212.04761	1.3
213.05547	6.6
214.02660	1.1
214.06346	3.1
215.03758	1.8
215.07111	37.6
216.07457	2.7
217.05045	13.9
223.04091	1.3
224.04680	2.0
225.05576	20.7
226.02658	1.7
226.06052	3.0
227.03471	11.3
227.07053	1.4
228.04320	6.3
229.01347	2.7
229.05002	2.3
236.04865	1.3
237.05611	2.2
239.03304	1.5
239.07088	1.2
241.05107	16.2
242.05612	2.8
243.06641	59.6
244.06978	3.8
248.10394	1.1
251.03526	2.6
251.06917	1.0
253.05133	5.0
253.08910	1.2
254.05801	1.5
255.03070	1.4
255.06575	6.6
256.03748	1.6
257.04382	1.3
259.06094	4.2
261.05533	1.2
263.03531	2.6
263.07141	1.4
264.04160	1.6
265.05087	3.5
266.05710	1.1
267.02969	2.6
269.04611	7.1
271.06168	10.3
275.07443	1.1
277.08859	1.8
279.06665	2.6
281.04605	1.7
281.08060	1.5
283.06204	5.9
287.05664	19.6
295.09695	2.0
297.04160	3.2
297.07462	1.1
301.08636	1.2
303.06644	2.5
304.07599	2.3
305.08029	4.2
307.06015	1.1
309.04321	1.5
315.05121	27.4
316.05463	2.4
319.09818	1.9
321.07730	1.7
323.09235	3.6
327.05069	4.2
329.08072	1.1
331.06094	1.5
337.10916	1.3
347.09314	4.1
349.07288	3.5
363.08429	1.8
367.08325	3.9
373.07016	2.6
381.09671	1.6
385.14572	1.1
389.06720	2.6
391.08292	12.5
392.08557	2.0
407.07535	1.6
409.09360	36.3
410.09610	4.6
417.06299	2.5
418.06161	1.1
433.07843	3.7
435.07257	17.3
436.07800	1.8
453.08359	100.0
454.08563	11.6
553.10101	1.4
571.10986	30.2
571.20251	1.7
571.29639	2.0
572.11456	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	571.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.9
58.66153	1.2
59.01264	7.4
61.98711	5.1
66.51680	1.3
69.03348	2.5
71.01265	5.0
72.99170	1.5
73.02836	1.3
75.00761	6.8
80.96393	1.4
81.03348	2.7
83.01260	3.3
85.02828	4.1
87.00734	1.4
89.02316	4.2
93.03345	3.3
95.04920	2.4
96.95897	6.3
97.02840	4.4
99.00751	1.7
99.04423	2.4
101.02303	1.7
106.55364	1.7
106.78905	1.7
108.02028	1.7
109.02881	3.1
113.66490	1.2
117.01839	1.4
121.02853	2.4
122.03609	3.4
123.04453	3.6
124.29524	1.4
125.02364	24.1
130.24628	1.4
135.02913	16.0
135.04411	3.7
137.02379	18.9
139.03922	3.7
149.02393	7.7
150.03163	22.5
151.03906	4.7
152.01064	2.9
159.04437	1.7
161.02345	2.6
163.03934	2.7
164.01056	1.7
164.04712	2.3
165.01891	14.6
165.05501	20.3
167.03447	24.3
172.05174	1.5
173.05991	4.0
177.01793	1.5
177.33138	1.4
179.03429	4.0
185.00873	3.0
185.05981	2.4
187.07576	3.9
195.06610	17.0
196.05229	1.6
197.04434	2.0
197.06059	18.9
198.06488	2.5
199.03902	3.9
201.05508	3.4
203.03394	1.8
213.05527	9.9
214.06438	2.4
215.03621	2.3
215.07111	42.7
216.07425	1.8
217.05055	17.5
224.04640	2.5
225.05553	27.2
226.05945	1.7
227.03525	11.6
227.07033	2.7
228.04135	6.3
229.01376	2.3
229.05020	3.3
231.06584	1.6
237.05516	3.9
240.04312	2.1
241.05046	14.4
242.05608	2.2
243.06638	64.4
244.07008	4.2
251.03572	1.9
253.05055	10.5
253.09006	1.6
254.05653	1.8
255.02910	1.7
255.06578	4.9
259.06122	4.2
263.03577	2.0
265.05115	5.4
267.02936	2.0
269.04538	3.7
271.03064	2.3
271.06061	13.6
281.04620	1.5
283.06161	8.6
283.09128	2.0
285.04193	1.8
287.05609	20.6
289.07135	2.2
295.09885	2.4
297.03986	4.4
297.07550	2.1
300.02634	2.2
303.06549	2.3
304.07501	2.7
305.08279	2.4
307.06039	2.4
315.05121	25.8
315.08502	1.1
316.05402	2.3
323.09235	3.0
327.05182	4.0
330.11179	3.1
337.10782	2.3
345.07550	1.5
345.13409	18.0
347.09286	4.5
349.07220	2.3
357.13498	4.8
363.08685	2.2
365.10464	1.8
367.08200	5.6
373.07288	2.9
375.14542	3.0
381.09836	2.1
389.06699	2.5
391.08093	13.2
391.12393	1.6
409.04007	1.5
409.09360	31.3
410.09689	4.3
417.06082	3.0
421.80872	1.6
433.07846	5.9
434.08490	1.8
435.07220	19.0
436.07260	1.6
453.08350	100.0
454.08789	10.7
493.18631	3.2
523.19910	13.1
533.25958	2.8
571.11047	37.3
571.21411	6.0
571.29938	2.5
572.11481	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.3
61.36819	1.2
71.14320	4.0
72.99207	2.0
73.02837	4.0
75.00762	16.7
77.77158	1.2
82.16096	1.4
87.00766	5.5
89.02331	5.0
104.14247	1.3
117.01849	8.3
119.04938	43.3
120.05279	2.1
135.02916	85.6
136.03264	2.0
145.02869	2.7
157.28694	1.3
163.03947	100.0
164.04279	3.2
212.06233	1.4
224.74597	1.2
239.09726	1.2
281.06717	29.1
282.07178	2.3
561.11548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01283	2.0
69.03354	2.1
69.63863	4.3
71.01270	1.4
72.99235	0.5
73.02856	0.5
75.00790	1.1
85.02883	1.2
89.02345	0.9
91.52525	0.5
93.03361	4.0
95.01321	0.6
96.95932	2.6
99.00791	0.6
101.02341	0.8
102.29509	0.5
105.03374	0.8
108.02093	0.9
109.02887	1.4
119.04961	1.2
121.02869	5.0
122.03654	13.3
123.00829	0.7
123.04444	2.2
125.02377	2.1
128.94618	0.7
132.02089	0.8
133.02907	2.1
134.03636	1.2
135.02917	1.4
135.04460	4.0
136.01617	2.4
137.02382	3.3
139.03891	0.7
149.02377	25.0
149.06000	1.5
150.03166	100.0
151.00354	0.5
151.03767	5.3
151.07590	0.6
151.99800	0.6
152.01161	0.6
160.01578	1.8
160.04044	0.7
161.02324	1.0
163.03967	1.1
164.04755	5.3
165.05518	91.2
166.05888	3.2
167.03485	0.8
167.07098	2.0
168.73909	0.5
179.03439	1.0
179.10909	0.7
180.04268	6.4
180.07880	2.7
181.04953	1.8
186.84854	0.6
195.06601	49.2
196.06952	2.0
197.06039	0.9
208.07533	1.0
209.07899	0.7
211.04065	0.7
212.04784	3.9
213.05486	0.8
215.07135	1.1
217.04913	0.6
224.04472	0.7
225.05576	1.6
226.06299	0.6
227.03429	1.4
228.04237	2.6
231.10307	1.1
241.05107	0.9
241.08641	0.8
243.06580	2.1
243.10251	0.7
251.07143	0.8
253.05006	0.9
256.03772	6.0
265.05029	1.1
267.06628	1.2
268.07132	0.7
269.08194	2.3
271.05887	1.0
271.09894	2.9
279.06833	0.7
283.09790	2.9
287.06039	0.8
287.09250	1.8
297.07693	3.9
297.11252	1.1
299.09180	2.3
299.12717	1.2
310.08594	1.1
311.09326	7.4
312.09949	1.4
313.10535	0.6
314.07861	0.9
315.05219	0.8
315.08698	4.7
316.09601	1.0
317.09457	0.6
326.11578	2.4
327.08673	8.3
327.12372	5.2
328.09204	1.0
328.12714	1.4
329.10254	2.3
329.13965	2.7
330.11115	15.4
331.11624	2.0
342.10977	1.7
343.11740	1.6
344.12579	1.4
345.13498	61.0
346.13861	5.4
357.13498	21.2
358.13693	2.6
373.11899	0.6
375.14505	6.3
376.14429	0.8
385.15173	0.9
404.12646	0.7
409.09116	0.7
449.15845	0.9
453.08453	2.8
493.12378	0.9
493.18854	10.7
494.18863	1.8
523.19824	43.5
524.13208	0.6
524.20203	6.4
541.20850	1.0
553.21167	0.7
571.10602	1.7
571.21307	10.3
571.29279	3.7
572.21460	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.6
58.13446	0.5
59.01267	2.5
61.98713	2.5
69.44019	2.3
69.44447	2.0
71.01272	1.3
73.02835	0.5
75.00764	0.7
85.02856	0.7
89.02381	0.5
93.03350	3.7
96.95898	2.3
99.10609	0.4
101.02362	0.8
105.03389	0.5
106.44749	0.5
108.02048	0.7
109.02851	1.0
110.43723	0.5
111.00809	0.7
119.04965	1.1
121.02885	4.9
122.03651	14.1
123.00815	0.5
123.04523	0.7
124.01575	0.8
125.02377	1.4
132.87976	0.6
133.02914	2.2
134.03685	0.7
135.02917	1.4
135.04439	2.2
136.01584	1.1
137.02385	2.1
139.00264	0.8
139.03851	0.6
149.02380	20.3
150.03160	93.3
151.03531	3.7
161.02361	0.6
161.04442	0.5
163.03926	1.1
164.04718	3.5
165.05516	100.0
166.05847	4.4
167.07045	1.7
177.01904	1.1
179.03394	0.7
180.04243	6.1
180.07817	1.0
181.05025	1.1
193.04990	0.7
193.08652	0.5
195.06596	72.6
196.06944	3.8
208.07414	0.9
209.08061	0.7
212.04762	2.7
212.06541	0.4
226.06274	1.0
227.03500	1.1
228.04222	1.9
231.10333	0.9
239.07176	0.6
241.05048	0.8
243.10194	0.7
252.04193	0.6
253.08827	0.5
256.03806	3.8
257.04251	0.7
259.09830	0.7
267.06604	1.0
269.08209	1.0
271.09756	2.2
283.09738	0.9
284.03796	0.6
285.04214	0.7
285.07599	1.1
287.09286	1.3
297.07825	3.0
299.09268	1.1
310.08533	0.8
311.09250	6.4
312.09793	1.6
315.08829	3.4
325.10757	0.7
326.11499	1.9
327.08887	7.0
327.12454	1.3
330.07541	0.9
330.11169	10.5
331.11398	1.2
342.11066	2.1
344.12701	0.6
345.13483	51.3
346.13788	4.8
357.13504	20.3
358.13751	1.7
370.23175	0.5
375.14508	7.4
376.14804	0.8
423.24606	0.6
453.07745	0.8
493.18802	1.0
502.21747	0.5
523.19580	2.6
541.20825	0.8
571.11658	0.9
571.21692	6.8
571.28906	1.0
572.22839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2905
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.75502	0.5
59.01254	1.2
61.98701	0.9
64.93714	0.5
70.05554	0.5
71.01250	0.8
71.57027	0.6
75.00770	0.8
77.07494	0.5
78.95793	54.9
87.00761	0.5
89.02357	0.6
96.96862	11.0
112.47219	0.6
135.02919	2.4
152.99521	53.6
153.99782	0.9
171.00633	0.8
223.00116	1.7
241.01204	27.6
242.01575	0.9
242.89191	0.9
255.23320	68.4
256.21039	0.9
256.23630	5.9
259.02319	0.8
282.74811	0.7
283.13470	0.7
315.04904	7.8
391.22565	4.1
571.28998	100.0
572.20715	1.1
572.29291	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	37.2
61.98699	1.9
64.20402	0.5
66.32228	0.5
71.01266	3.1
73.02840	1.1
78.95765	1.0
80.02592	0.6
81.03350	1.2
83.01263	1.1
83.04903	3.7
84.02075	0.6
85.02827	0.6
89.02341	3.6
89.27180	0.5
96.95875	0.7
99.00784	1.7
101.02354	2.0
108.78091	0.5
113.02268	0.5
121.02860	0.5
125.02336	1.7
125.09678	0.5
131.03375	0.7
135.02864	0.6
135.08029	0.6
137.02383	0.8
149.04510	3.5
163.11223	2.9
165.12787	1.4
171.10229	4.3
181.12364	0.5
191.05638	0.6
191.10750	0.8
198.56889	0.5
209.11812	100.0
210.12131	5.7
227.12888	13.0
247.13452	1.5
265.14478	0.9
289.07327	0.6
308.62381	0.6
375.21606	0.7
401.23874	0.9
475.27188	1.2
493.28281	1.3
571.27527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.6
59.01265	2.2
61.98713	8.9
63.99141	0.8
65.00189	0.4
69.03343	0.8
70.20126	1.2
71.01263	1.0
72.99185	0.2
73.02815	0.4
75.00755	0.8
80.02572	0.5
81.03342	0.4
82.89418	0.2
83.01265	0.7
83.76477	0.3
89.02349	1.2
90.98483	0.6
91.01788	11.9
92.02106	0.4
93.03336	0.2
95.01272	0.9
96.95889	1.7
99.00803	0.3
101.02341	0.5
107.01285	0.3
107.04951	0.5
108.02071	15.4
109.02887	3.8
113.02332	0.5
119.04906	0.5
120.55366	0.2
121.02879	0.7
122.03682	0.5
123.00801	5.6
123.04414	0.3
124.01587	0.8
125.02348	3.6
135.00803	14.4
135.02896	1.5
135.04475	0.3
136.01149	0.6
137.01378	0.5
137.02367	5.1
137.03340	0.5
138.02716	0.3
149.02310	0.4
151.00285	0.6
151.03955	0.3
152.01082	16.8
153.01874	1.2
157.32430	0.2
163.03941	0.3
164.01067	0.4
165.01903	1.4
176.04544	0.3
178.99823	0.3
179.03452	0.6
191.03540	0.3
197.06033	1.6
199.07590	0.8
209.11786	0.6
213.05537	1.1
215.07011	0.7
241.05096	0.5
242.05638	0.3
243.06638	100.0
244.04234	0.6
244.06972	7.0
271.06152	0.3
273.15048	0.7
287.05597	0.3
287.16824	0.4
293.08829	1.2
309.15097	0.3
312.31885	0.3
315.16104	0.8
333.17407	0.3
367.19232	0.3
394.25919	0.5
401.46274	0.3
427.17657	4.7
428.17679	0.4
429.10522	2.4
442.64523	0.2
537.16229	31.5
538.16541	4.4
567.83356	0.3
573.23389	7.8
573.32092	0.4
574.24030	0.7
589.16516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01262	8.4
60.66097	0.2
61.98713	0.7
67.07074	0.2
69.03343	0.3
71.01260	1.4
71.58892	0.3
72.99220	0.2
73.02835	0.6
75.00762	0.5
77.03858	0.3
78.95827	0.2
83.01287	0.2
83.04937	0.3
85.02842	0.4
87.00783	0.3
89.02332	1.1
89.89621	0.2
93.03358	0.3
96.95913	0.7
97.02836	0.3
99.00766	0.2
101.02348	0.9
101.11531	0.2
103.03924	0.5
108.02107	0.3
109.02820	0.3
113.02360	0.4
115.94319	0.2
119.03422	0.3
119.04960	0.2
121.02869	100.0
122.03191	3.6
123.04413	0.2
125.02378	1.2
131.03455	0.4
135.02913	0.8
135.04434	0.7
137.02383	0.5
143.03410	0.2
145.02902	0.2
151.00279	0.3
151.03848	0.2
152.01060	0.3
161.02452	0.2
161.04514	0.2
163.04012	0.3
163.06033	1.2
165.01854	0.3
178.99774	0.2
179.03484	0.4
199.09778	0.2
205.07010	0.2
210.47815	0.2
249.11346	0.2
271.13730	0.2
299.01996	0.2
300.02698	0.2
307.10388	0.5
375.27396	0.2
391.16339	0.8
529.26733	0.5
555.22198	0.3
573.23999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
57.03360	1.4
58.00483	2.5
59.01263	100.0
60.01605	1.6
61.98718	23.4
63.87477	0.6
71.01268	47.1
71.04002	0.6
71.58034	0.7
72.01589	1.0
72.99191	4.7
73.02827	5.8
75.00789	0.6
79.27939	0.6
83.01288	2.5
83.04897	0.6
85.02844	10.8
87.00777	3.0
89.02336	74.9
89.75465	0.6
90.02692	1.2
95.01309	2.0
96.95933	1.0
99.00779	5.5
101.02345	37.3
113.02352	15.0
119.03415	17.4
125.02386	2.9
129.01932	1.3
131.03423	42.2
132.03745	0.8
143.03395	4.0
149.04491	37.7
150.04829	1.1
161.04503	7.6
171.19579	0.7
179.05576	13.8
191.05585	25.1
192.05901	0.9
199.46794	0.7
209.11948	1.4
211.13478	0.7
221.06665	1.7
251.07823	2.2
291.19778	3.6
293.09052	1.1
381.22891	3.5
513.27063	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	574.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56403	0.1
59.01262	0.7
60.31108	0.1
61.98714	100.0
71.01279	0.3
73.97065	0.1
78.13508	0.1
78.95788	0.2
89.02324	0.3
101.02339	0.2
131.03458	0.2
149.04510	0.1
152.99608	0.1
209.11880	0.4
250.77545	0.1
402.96344	0.1
514.28320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16531	0.6
51.63648	0.6
53.13978	0.6
57.03334	1.8
59.01262	16.2
59.49777	0.6
61.98715	4.8
63.02269	1.3
64.22419	0.6
65.00211	4.5
68.99693	2.3
69.40850	0.6
71.01264	5.0
71.56639	0.7
72.99188	1.2
73.02830	1.6
75.00758	0.9
76.12357	0.6
78.95800	2.2
79.49552	0.7
81.03376	0.8
83.01270	5.1
83.04916	0.9
85.02831	2.4
86.92393	0.6
88.98685	1.0
89.02305	3.4
93.03352	0.6
95.01292	0.6
96.95905	1.0
99.00798	0.8
101.02366	3.7
107.01295	7.0
109.02857	1.4
113.02363	1.0
119.03355	1.1
119.04919	0.9
121.02870	1.8
123.00909	0.6
124.01581	6.1
125.02373	13.5
133.02861	1.5
135.00819	0.9
135.01854	0.7
135.02832	1.4
135.28601	0.7
137.02383	1.9
149.02373	2.0
149.99472	1.2
150.03131	0.8
151.00311	26.3
152.01038	2.7
152.99539	1.0
153.01787	0.9
159.04462	1.0
159.08142	0.8
160.01598	1.8
161.02408	2.2
163.00331	1.5
163.03958	1.1
165.01874	2.1
165.05513	1.0
167.03455	1.3
169.01355	2.9
172.05180	0.9
174.03165	1.2
175.07571	0.9
176.01071	0.7
177.01903	4.8
178.99825	11.0
179.05502	1.8
179.06952	0.8
180.00209	0.8
185.05902	0.8
187.00308	2.0
187.03960	1.0
187.07553	3.6
189.01869	6.0
189.05524	2.0
191.03496	1.2
191.07123	1.6
193.01431	3.2
200.04701	0.9
201.05461	0.8
203.07097	2.2
205.01395	11.0
205.08711	1.4
208.00197	0.8
209.11848	4.2
211.03937	1.0
211.13478	0.7
213.05452	1.0
214.99846	2.1
215.03598	1.5
215.07092	8.0
216.00594	0.7
217.01410	29.9
218.01848	2.3
219.02956	0.8
219.06561	5.0
224.04814	0.8
227.03442	1.2
229.05098	4.2
230.02168	1.8
230.05769	1.5
231.06627	6.3
233.00911	10.7
234.01611	1.0
239.03546	1.2
240.04230	1.6
241.05038	2.1
242.99384	1.6
243.03032	1.1
247.06076	1.0
251.44725	0.8
252.04265	1.5
253.05070	0.9
253.08748	0.8
254.02229	1.5
255.02979	0.8
257.04584	1.9
257.08258	1.0
258.05148	1.1
258.98895	2.7
259.02652	3.2
259.06122	7.9
265.05112	0.8
267.03082	1.8
268.03775	4.4
269.04501	1.4
269.08087	1.0
270.01923	1.0
271.02509	1.4
276.06546	2.0
277.07187	1.0
279.02985	0.8
281.04709	0.8
281.08295	1.3
282.05411	0.9
283.09808	0.9
284.03073	0.7
285.04062	3.4
287.02002	0.8
293.08231	0.8
295.02502	2.5
295.09799	1.6
296.03342	8.1
297.04068	1.2
297.07678	3.2
298.01282	0.7
299.02139	0.9
309.04068	1.1
310.04803	1.5
311.01804	1.2
311.09494	3.9
312.02872	2.1
313.03711	1.2
313.07211	2.7
315.08719	1.1
321.07861	1.3
323.02115	1.9
323.09210	1.3
324.02832	4.1
338.04416	1.0
339.01642	1.1
339.08804	9.8
340.02289	10.4
340.08746	1.2
341.02939	2.1
341.06686	4.2
342.07492	4.8
349.07321	1.7
351.01532	5.8
355.07028	2.9
357.10107	0.8
365.06573	2.4
367.08298	48.1
368.01740	30.1
368.08566	4.3
369.02121	2.8
383.07663	1.9
384.08282	1.1
385.09448	3.2
393.06265	2.6
411.07278	49.5
412.07620	4.5
423.13037	4.1
449.11060	2.4
515.30481	2.2
531.15240	3.0
557.13196	1.4
573.02472	0.7
574.32556	4.2
575.14160	100.0
575.32928	2.6
576.14551	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	575.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05566	0.4
54.28838	0.4
55.01768	1.3
57.03325	0.9
57.42081	0.4
58.00476	2.9
59.01263	100.0
60.01595	0.9
61.02858	0.5
61.98728	3.0
62.74911	0.5
69.81416	0.7
69.81821	1.8
71.01268	38.2
72.01580	0.6
72.99200	4.5
73.02851	4.1
78.95804	0.7
83.01279	2.0
85.02849	7.6
87.00793	1.6
89.02335	59.0
89.93398	0.5
90.02712	0.7
95.01307	1.2
97.02851	0.8
98.19790	0.5
99.00768	2.7
101.02342	28.0
113.02351	12.6
114.02680	0.6
119.03411	15.7
125.02400	1.7
129.01907	1.4
130.24840	0.4
131.03427	48.4
132.03767	1.2
143.03436	4.9
149.04494	30.0
150.04877	0.7
161.04485	5.1
161.94806	0.5
179.05580	14.8
191.05602	19.6
192.06020	0.8
213.98801	0.5
221.06665	1.4
251.07816	1.9
293.08789	0.5
383.24524	1.8
515.28638	5.8
516.29297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
57.03333	0.3
59.01263	16.2
69.87464	0.2
71.01264	3.1
71.57295	0.3
72.99194	0.3
73.02828	0.7
74.78112	0.2
83.01270	0.4
85.02847	0.6
87.00777	0.4
89.02332	2.6
94.28121	0.2
99.00738	0.3
101.02349	2.7
102.18312	0.2
103.03981	0.2
113.02359	1.3
115.03946	0.3
119.03396	0.8
133.04938	0.5
137.29272	0.2
145.57932	0.2
152.99501	0.4
161.04506	1.3
179.05518	0.4
235.08234	1.9
253.09323	14.0
254.09674	0.5
261.22522	0.2
279.23334	100.0
280.23688	10.5
299.77106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88114	0.1
59.01263	0.7
61.09317	0.1
61.98717	100.0
62.98419	0.3
66.75153	0.2
69.58259	0.1
69.94247	0.3
69.94668	0.5
71.01272	1.0
73.02829	0.4
78.98483	0.8
79.95621	1.4
80.96412	7.7
85.02839	0.2
87.00786	0.3
94.30699	0.1
94.97987	1.8
97.02880	0.2
98.20439	0.3
101.02330	0.3
106.98007	0.5
122.61285	0.1
122.97498	0.4
125.02396	0.3
126.26257	0.1
134.97536	0.6
148.99071	0.8
152.98552	0.6
164.98593	1.4
206.99620	0.2
225.00772	1.6
230.56985	0.1
254.09740	0.2
256.10114	0.1
277.21738	1.5
278.22147	2.2
278.25021	0.2
279.22357	1.3
280.22769	0.6
299.04654	0.4
577.27002	11.9
587.10919	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97813	0.1
59.01255	0.3
59.61736	0.1
61.98716	100.0
62.98427	0.2
70.64664	0.3
71.01268	0.1
80.13045	0.1
80.96381	0.6
94.98008	0.1
106.12444	0.1
125.02374	0.1
225.00859	0.2
277.21912	0.2
278.22235	0.3
279.22501	0.2
308.98126	0.1
379.28543	0.2
577.27142	0.8
603.68854	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	21.2
60.01619	0.1
71.01261	0.2
78.95795	7.1
80.09887	0.1
83.04939	0.2
97.06490	0.2
122.98504	0.2
127.07586	0.2
128.73141	0.1
152.99516	1.6
168.04250	1.6
224.06918	0.9
229.67694	0.2
233.22739	0.3
242.08017	3.5
259.20795	0.4
275.20251	0.4
277.21771	100.0
278.22116	9.6
306.09845	0.1
415.94147	0.2
502.29507	41.7
503.29843	6.0
517.25519	0.2
576.25586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	0.5
60.99195	0.2
61.98717	18.2
70.40951	0.2
70.87215	0.7
71.01270	0.7
76.82478	0.2
78.95796	7.3
78.98486	0.6
79.95635	1.0
80.96409	5.6
87.00775	0.7
88.00301	0.6
88.98714	1.0
89.02335	0.5
94.97470	0.2
94.97997	1.4
96.46035	0.2
101.02378	0.3
108.10938	0.2
121.02873	0.8
122.00049	0.3
122.03195	0.3
122.97450	0.5
129.01730	0.2
134.97514	0.6
140.01117	2.8
148.99072	0.4
152.98515	0.4
152.99568	0.7
158.06737	0.2
164.98598	1.0
177.96384	0.2
191.03502	0.8
192.03777	0.3
196.03879	1.4
214.04849	3.2
225.00768	1.3
261.18594	0.7
277.21808	0.4
278.19064	0.3
299.04498	0.4
307.37509	0.2
347.25958	8.8
348.26294	1.1
349.27478	0.5
379.28607	100.0
380.28940	11.1
441.40292	0.2
576.33191	14.4
577.26514	8.6
577.33875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1363
Annotation	CHEBI:68333
Peak:m/z	Relative Intensity
57.03334	15.3
59.01257	2.2
65.52689	0.5
69.03339	0.5
70.32590	1.1
70.32973	1.7
71.01271	1.2
75.00767	0.8
81.03354	1.9
82.28765	0.5
83.01266	3.7
89.02330	1.5
93.03360	1.9
95.01333	0.6
95.01922	0.5
95.04938	0.8
96.95916	0.9
97.02850	3.2
98.19939	0.5
101.02341	0.5
107.04943	1.3
109.02858	16.0
117.01814	0.6
119.04960	0.8
121.02892	2.6
122.03630	1.2
123.04432	11.6
125.02364	100.0
126.02699	3.9
133.02861	3.1
135.02029	0.5
135.02959	2.1
135.04446	1.9
137.02374	17.7
139.03969	2.6
146.03661	1.1
147.04442	0.9
149.02374	5.5
149.04453	0.9
150.03159	0.9
151.00293	0.6
151.03951	10.4
151.05122	0.4
152.04370	0.6
157.86023	0.7
159.04477	2.3
160.05194	1.0
161.02386	23.6
161.05983	3.9
162.03221	3.1
162.04366	0.5
163.00270	1.4
163.03935	3.7
164.01109	3.9
165.01866	3.5
167.03433	1.3
173.06039	0.9
175.03957	8.2
175.07622	1.3
177.01872	4.3
177.05510	1.1
179.03445	3.6
184.05101	0.5
185.02524	0.6
185.05980	1.1
187.03941	5.6
188.04718	2.3
189.01797	0.7
189.05638	0.9
199.04057	0.8
199.07567	0.8
201.05569	1.4
202.06274	0.9
203.03540	1.2
203.07104	7.7
204.03659	0.6
205.01393	1.7
205.05063	6.3
211.04019	1.2
215.03455	0.9
215.07108	0.7
217.05081	1.8
219.03093	0.6
221.08192	1.5
225.05698	0.6
227.03546	1.4
227.07248	1.1
228.04152	0.9
229.05048	2.0
230.05714	0.7
231.03058	0.8
241.05125	0.6
243.03033	2.6
245.04575	3.1
245.08214	8.9
246.08656	0.7
247.06261	0.7
255.03036	4.6
256.03809	3.0
257.04556	1.8
269.04614	1.6
273.04010	4.1
281.04642	2.4
283.02554	1.0
285.04083	1.3
287.05643	7.2
289.07245	40.8
290.07562	3.4
297.04178	0.8
297.07520	0.7
299.05673	6.6
315.08591	0.6
329.06815	0.9
339.08932	1.7
381.10016	1.2
407.07776	32.5
408.07877	4.0
425.08859	15.2
426.09134	1.8
451.10480	9.7
452.10706	1.4
559.12909	1.3
577.13489	8.0
577.21503	0.4
578.13654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.137
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
57.03080	1.3
57.03336	12.6
65.37522	0.7
71.54755	1.1
81.03353	2.7
83.01260	4.2
93.03358	1.6
95.04934	1.9
97.02856	4.6
100.77650	0.6
107.04935	1.3
108.02073	0.7
109.02869	16.4
116.31055	0.7
117.03386	0.7
121.02877	3.0
123.04437	12.7
124.01567	0.7
125.02364	100.0
126.02711	2.8
133.02908	4.3
135.00845	0.6
135.02913	1.0
135.04449	2.3
137.02385	17.4
138.03053	0.7
139.03938	2.8
145.02890	1.6
146.03690	1.3
147.04474	0.8
149.02382	6.2
149.04503	0.7
149.05846	0.8
151.03944	11.5
153.01999	0.7
159.04443	3.1
160.05130	1.1
161.02388	27.2
161.06020	4.7
162.03090	3.2
163.00328	1.4
163.03966	3.5
164.01128	4.7
165.01872	5.8
167.03435	1.2
173.05954	1.0
175.03941	9.4
177.01874	5.3
177.05598	1.3
179.03470	4.2
185.06102	1.2
187.03984	7.8
188.04752	3.1
189.01900	0.9
191.03520	0.9
199.04037	1.6
201.05687	1.7
202.06328	1.5
203.03484	1.6
203.07086	8.3
204.07303	0.7
205.01434	2.9
205.05026	5.9
211.03976	1.6
212.04652	1.3
215.03456	1.5
217.05101	1.8
217.08746	0.8
221.08157	1.7
227.03571	1.5
227.07147	1.2
228.04201	1.4
229.05095	2.6
231.06572	1.1
235.08147	1.1
243.02991	2.7
243.06596	1.2
245.04556	5.0
245.08191	11.8
247.06148	0.9
255.03026	9.0
256.03790	4.7
257.04535	2.1
269.04660	2.0
271.06003	1.1
273.04120	6.0
281.04636	2.9
283.02582	1.7
285.04123	2.6
287.05685	11.4
288.05930	0.9
289.07245	69.4
290.07587	5.2
297.04401	0.8
299.05707	6.6
300.06119	0.9
327.32578	0.9
328.21762	0.7
329.06711	1.4
331.08292	1.2
339.08746	5.0
381.09903	2.5
407.07785	65.0
408.08017	6.3
425.08871	26.8
426.09219	3.1
434.71838	0.8
449.08771	0.9
451.10446	16.8
452.10864	2.1
559.12866	1.3
577.13568	9.8
578.13812	1.3
602.28644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1359
Annotation	Procyanidin B1
Peak:m/z	Relative Intensity
52.06660	0.3
57.03336	13.2
59.01255	4.6
65.03852	0.4
65.46915	0.3
65.85597	0.3
69.03339	1.5
69.16139	0.4
71.01258	2.3
71.34949	0.8
72.99204	0.4
73.02861	0.4
76.59474	0.3
79.95642	0.4
80.02581	0.4
81.03378	1.7
83.01276	4.4
85.02846	0.8
89.02322	2.9
93.03355	1.8
95.01289	0.9
95.04931	2.1
96.95908	9.4
97.02851	3.8
99.00769	0.8
99.04424	0.5
99.57932	0.3
101.02338	1.2
102.98514	2.0
105.03393	0.4
107.04929	1.4
108.02075	0.9
109.02856	16.4
110.03197	0.6
113.02348	1.0
117.03359	0.7
119.03470	0.4
119.04957	0.5
121.02882	3.6
122.03667	0.6
123.00819	0.7
123.04432	10.1
124.01553	0.4
125.02360	100.0
126.02715	3.4
131.03485	0.4
131.04958	0.7
133.02884	3.3
135.02870	0.5
135.04478	2.2
137.02367	20.7
138.02754	0.6
139.03918	2.5
143.04985	0.6
145.02866	1.2
145.06548	0.4
146.03685	0.8
147.04401	1.0
149.02386	4.1
149.04472	1.0
150.03117	1.1
151.03946	11.5
152.04362	0.5
158.03667	0.6
159.03333	0.4
159.04439	2.1
160.05220	0.9
161.02380	24.3
161.06010	3.7
162.03105	1.9
163.00252	1.8
163.03951	2.7
164.01105	4.1
165.01859	4.9
166.02605	0.4
167.03394	1.5
173.05995	0.9
174.03139	0.4
175.03961	6.8
175.07553	0.8
176.01044	0.4
177.01888	4.3
177.05469	0.6
178.02519	0.4
179.03464	3.5
184.05280	0.3
185.00880	0.9
185.05968	0.7
187.03978	5.8
188.04691	2.8
189.01897	0.5
189.05489	0.4
191.03365	0.4
193.05000	0.5
195.86166	0.3
197.06056	0.5
199.04060	0.5
201.05516	1.1
202.06288	1.0
203.03476	1.8
203.07109	7.4
204.07492	0.5
205.01413	2.6
205.05013	6.2
205.12340	0.4
208.30342	0.4
211.03996	0.9
212.04799	0.8
213.05609	0.9
214.02606	0.4
215.03432	1.2
215.07031	0.4
217.05038	1.5
217.08746	0.5
219.02977	0.6
221.08133	1.4
225.05423	0.5
227.03452	1.1
227.07144	1.3
228.04132	1.2
229.05048	2.3
230.05870	0.7
231.02962	1.0
231.06624	0.5
240.04332	0.4
241.05051	0.5
243.02969	1.7
243.06680	0.9
244.03587	0.5
245.04564	3.4
245.08180	10.8
246.08351	0.4
247.06104	0.6
253.05136	0.6
255.03020	4.6
256.03751	2.6
257.04541	1.6
269.04645	1.5
271.06226	0.8
273.04086	3.7
274.04358	0.5
281.04666	2.2
283.02487	1.3
285.04034	1.8
287.05664	6.9
288.05963	0.5
289.07227	52.8
290.07602	4.2
297.04309	0.8
299.05658	6.2
300.05994	0.5
315.08945	0.7
316.02295	0.7
328.05820	0.5
329.06665	1.0
339.08783	3.0
341.06665	0.5
357.09360	0.4
381.09952	1.9
397.18655	0.5
407.07767	35.1
408.08173	4.3
425.08841	16.8
426.09103	2.2
451.10437	10.1
452.10663	1.0
463.08850	1.0
479.07822	0.4
492.09589	0.4
499.22391	0.4
517.22992	0.9
517.31677	0.8
559.12457	0.7
577.13501	6.0
578.13776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	15.2
69.03330	0.8
69.64462	5.0
75.24861	0.8
77.01046	0.7
81.03359	1.9
83.01270	4.6
93.03361	2.0
95.04930	1.7
97.02858	4.5
98.20586	1.5
104.20413	0.7
106.22940	0.8
107.04919	2.2
109.02855	17.9
113.56167	0.8
117.03334	1.5
121.02888	3.7
122.03646	1.8
123.04430	13.1
125.02365	100.0
126.02715	3.3
133.02887	3.7
135.04449	1.3
137.02380	17.9
139.03923	3.2
146.03641	1.3
149.02365	6.0
150.03116	1.4
151.03951	11.4
159.04410	3.1
160.05254	1.3
161.02383	27.8
161.06036	3.0
162.03000	2.6
163.00279	1.6
163.03896	3.4
164.01080	4.2
165.01862	5.3
167.03500	1.6
173.06053	0.9
175.03966	8.2
175.07632	1.7
177.01880	5.9
177.05382	0.9
179.03458	4.7
185.06023	1.0
187.03986	7.0
188.04663	2.7
189.01917	1.0
189.05586	1.2
201.05501	1.7
202.06244	1.0
203.03284	1.3
203.07144	10.1
205.01431	3.2
205.05086	6.2
213.05386	1.1
215.03500	1.1
217.05013	1.8
219.02956	1.0
221.08133	1.8
227.03526	1.2
227.07048	1.5
228.04268	1.4
229.05064	2.6
231.02954	1.0
243.02930	2.1
245.04587	5.5
245.08206	12.3
247.06078	1.2
255.03006	9.6
256.03702	4.4
257.04449	2.5
269.04501	2.2
271.06161	1.2
273.04065	4.4
281.04587	3.3
283.02518	1.6
285.04086	2.3
287.05655	8.5
289.07245	62.5
290.07635	3.8
297.04083	1.5
299.05643	5.5
300.21432	0.9
329.06705	1.9
339.08704	3.1
381.09842	1.8
407.07788	59.1
408.08127	6.3
425.08820	24.7
426.09296	3.0
451.10443	15.0
452.10666	1.6
559.12256	1.2
577.13574	8.8
578.14026	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	15.8
58.93602	0.5
65.03855	0.6
69.03333	0.8
69.13963	0.5
70.06393	1.9
81.03350	2.2
83.01275	4.3
88.73838	0.5
89.03846	0.8
93.03353	2.3
93.39954	0.5
95.01286	0.9
95.04929	2.4
97.02859	4.2
107.04921	1.4
108.02058	0.8
109.02862	22.8
109.03616	1.2
117.03377	1.1
121.02879	4.7
122.03639	1.3
123.04430	14.3
124.04835	0.6
125.02362	100.0
126.02709	2.1
131.04942	1.2
133.02852	5.0
135.02911	0.6
135.04445	2.8
137.02371	19.5
138.03001	0.7
139.03926	2.8
145.02879	1.6
146.03728	0.8
149.02376	5.7
150.03111	1.6
151.03932	13.0
159.04488	3.8
160.05280	1.0
161.02377	26.7
161.06038	3.7
162.03139	3.0
163.00331	2.4
163.03946	3.0
164.01128	4.5
165.01886	4.5
167.03445	1.6
173.06020	1.7
174.03253	0.9
175.03964	9.7
175.07512	1.4
177.01895	5.4
177.05585	1.7
179.03458	3.6
185.06056	0.8
187.03983	7.6
188.04698	3.2
189.05457	0.8
199.03981	1.5
199.07614	0.9
201.05698	1.3
202.06436	1.4
203.03513	1.5
203.07106	10.2
205.01428	2.6
205.05017	6.9
211.04015	1.3
212.04773	0.7
213.05586	1.5
214.02765	1.3
215.03435	1.3
217.05080	1.5
219.03069	0.9
221.08195	1.8
225.05566	1.1
227.03458	2.1
227.07159	2.0
228.04250	1.1
229.04967	3.7
229.08777	0.6
230.05801	1.0
231.03105	1.1
231.06538	0.9
243.02960	2.5
245.04544	5.4
245.08202	9.4
255.03015	10.3
256.03711	4.3
257.04465	2.7
269.04593	1.9
271.06174	1.2
273.04095	3.7
281.04642	3.5
283.02512	1.8
285.04108	2.2
287.05658	9.1
288.06000	0.7
289.07242	56.8
290.07675	3.3
297.03983	0.8
297.07480	0.7
299.05688	5.8
329.06839	1.4
331.08185	0.6
339.08899	3.2
381.09991	1.6
382.10141	0.8
394.71356	0.5
407.07770	54.2
408.08090	6.2
425.08859	22.8
426.09372	3.0
451.10403	11.4
452.11041	1.1
460.63705	0.6
559.12262	1.2
577.13666	8.5
578.14355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75983	0.4
57.03336	13.0
65.03862	0.7
68.99687	0.5
71.32530	0.9
81.03358	1.8
83.01281	4.8
89.03877	0.4
93.03371	2.2
95.01270	0.7
95.04916	2.0
97.02856	4.5
105.03348	0.6
107.04938	1.4
108.02090	1.2
109.02857	19.2
110.03201	0.7
117.03387	0.8
119.04955	0.9
121.02858	3.2
122.03678	1.3
123.04432	14.9
124.04749	0.6
125.02361	100.0
126.02663	3.1
131.04953	1.6
133.02888	4.8
135.02913	0.9
135.04474	2.4
137.02374	19.4
137.44682	0.5
138.03001	0.7
139.03932	3.2
143.05013	0.5
145.02853	0.7
146.03712	1.0
147.04459	1.0
149.02373	5.7
149.06065	0.4
150.03142	1.4
151.03952	13.7
152.04295	0.8
155.71428	0.4
157.06485	0.6
159.04456	3.4
160.05232	1.2
161.02377	29.5
161.06006	5.1
162.03073	2.7
163.00334	1.9
163.03944	4.0
164.01093	4.4
165.01897	5.1
166.02313	0.5
167.03439	1.7
173.02357	0.5
173.06114	1.1
174.03130	0.8
175.03960	11.3
175.07591	1.6
176.01176	0.5
176.04308	0.6
177.01900	6.6
177.05519	1.6
178.02477	1.0
179.03467	4.5
185.06039	0.9
187.03979	7.3
188.04726	3.5
189.01898	1.2
189.05441	1.0
190.02664	0.5
191.03484	0.5
193.04988	0.6
199.04066	0.8
199.07596	0.8
201.05534	1.9
202.06322	1.5
203.03468	1.6
203.07115	9.5
204.07564	0.6
205.01407	3.0
205.05049	7.0
211.04051	1.2
212.04755	0.9
213.05565	1.4
214.02632	0.8
215.03409	1.4
217.05077	1.7
219.03134	0.6
219.06641	0.5
221.08206	1.4
225.05589	0.8
227.03435	1.9
227.07143	1.6
228.04332	1.1
229.05025	3.9
230.05675	1.0
231.02927	1.0
239.03563	0.6
241.04993	0.6
243.03027	3.1
243.06625	1.6
245.04576	5.9
245.08226	11.5
246.08592	0.8
247.06160	1.6
253.05038	1.6
255.03018	9.5
256.03748	6.4
257.04584	2.5
269.04517	2.5
271.06317	1.3
273.04196	4.3
281.04514	3.2
282.01788	0.9
282.04855	0.5
283.02582	1.5
284.03448	0.5
285.04227	2.7
285.07214	0.5
287.05692	9.2
288.02872	0.7
288.06094	1.0
289.07233	60.7
290.07614	5.1
297.04233	1.4
297.07520	0.6
299.05643	6.2
300.05832	0.8
329.06671	1.7
339.08768	4.2
357.09930	0.5
381.09695	2.3
389.06735	0.7
407.07782	61.7
408.08087	7.6
425.08856	24.3
426.09229	2.9
433.09467	0.5
450.09225	0.8
451.04138	0.7
451.10419	14.7
451.20410	0.6
452.10745	1.5
467.09885	0.6
559.12732	1.3
577.13599	7.5
578.14075	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	14.7
62.01619	0.9
71.44350	1.4
80.26308	0.7
81.03326	2.0
83.01282	4.4
93.03355	2.1
93.06316	0.8
95.01218	0.8
95.04909	2.2
97.02847	4.2
98.11170	0.8
106.39587	0.7
107.04896	1.4
108.02057	1.6
109.02153	1.1
109.02862	20.1
111.04422	0.8
117.03352	0.9
119.24870	0.7
120.87290	0.8
121.02853	3.8
122.03671	1.2
123.04445	13.0
124.01514	0.9
125.02357	100.0
126.02682	2.6
131.04959	0.8
133.02850	4.6
135.04411	2.4
137.02362	21.4
139.03912	3.4
142.13176	0.8
143.92345	0.8
145.02890	1.1
146.03632	1.6
148.83278	0.8
149.02420	4.8
150.03152	1.4
151.03947	11.6
159.04485	3.9
160.05139	0.8
161.02370	26.3
161.05992	4.7
162.03017	2.5
163.00308	2.3
163.03951	3.6
164.01080	4.3
165.01837	3.7
167.03407	1.1
170.73354	0.7
174.03096	1.2
175.03955	11.2
175.07582	1.3
177.01872	5.6
177.05457	1.2
179.01982	0.9
179.03476	4.6
187.03975	7.5
188.04666	2.4
188.86203	0.7
193.05115	1.1
199.03990	1.3
201.05504	2.1
202.06299	1.3
203.07042	8.1
205.01328	2.5
205.05003	7.0
211.03951	1.4
211.95557	0.9
213.05557	1.4
215.03392	1.5
217.05034	1.7
217.08728	0.9
221.08163	1.7
227.03485	2.6
227.07057	1.7
228.04198	1.7
229.05020	3.3
243.02998	2.0
245.04587	4.1
245.08183	11.4
246.08589	0.8
247.06097	1.1
252.33572	0.8
253.04941	1.0
255.03008	7.2
256.03708	4.8
257.04544	2.5
269.04501	1.6
271.06100	0.9
273.04092	4.3
281.04501	3.4
283.02386	1.0
285.04065	2.5
287.05682	9.2
289.07230	63.8
290.07559	5.3
297.04172	1.2
299.05673	6.2
329.06766	1.4
339.08759	2.1
381.09665	2.6
389.06885	1.1
407.07782	52.3
408.08014	6.4
425.08844	22.3
426.09189	2.8
451.10443	13.8
452.10342	1.3
459.17630	0.7
559.12561	1.6
577.13617	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	577.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	13.8
59.00992	2.8
59.01262	31.1
59.56054	1.8
61.98706	4.0
63.02261	6.8
65.00201	15.7
69.03348	2.8
69.64977	12.6
71.01263	13.7
72.99187	7.4
73.02813	4.6
75.00765	8.8
81.03353	2.9
83.01269	12.7
85.02818	7.6
87.00746	3.8
88.13855	2.1
89.02350	11.0
93.03353	3.4
95.01273	4.6
96.95905	23.8
97.02825	3.2
99.00758	5.1
99.04399	3.3
101.02357	10.1
107.01286	20.1
108.02045	3.1
109.02840	7.7
111.00809	3.3
113.02322	6.3
118.97913	1.8
119.03400	3.6
119.04906	5.2
121.02848	5.0
123.00790	2.9
123.04432	2.0
124.01598	9.0
125.02366	71.1
126.02680	2.8
131.03387	2.0
133.02859	2.0
135.02895	3.0
135.04387	4.1
137.02386	11.9
140.11935	2.1
147.04488	2.7
147.06590	2.8
149.02313	5.4
149.04425	3.6
150.03152	3.9
151.00307	99.8
151.11217	1.9
152.01103	33.7
153.01804	8.1
153.02927	2.1
154.02557	1.8
159.04440	2.7
161.02341	4.9
161.04460	3.3
161.09770	2.9
163.00275	5.4
163.03883	4.4
163.07597	3.5
164.01073	3.3
165.01793	7.3
165.05457	4.7
167.03412	3.1
169.01358	14.0
174.03137	2.3
177.01823	6.4
177.09109	1.9
178.99825	100.0
179.03206	4.2
179.05502	3.2
180.00125	4.1
181.01385	2.8
187.03954	2.7
189.01883	8.6
189.09087	6.2
190.02594	1.9
191.03368	6.1
192.00639	4.5
192.99767	3.1
193.01389	36.5
193.08569	3.0
203.03404	4.2
205.01369	10.2
205.08612	3.8
206.02007	4.0
207.02885	5.8
207.10115	2.7
215.07019	5.4
217.05032	2.2
217.08661	5.8
219.02937	8.1
227.03320	2.6
229.05022	1.9
231.02994	5.3
231.10275	2.8
232.03682	2.8
233.04478	4.4
233.08116	5.5
241.08842	2.5
243.02829	3.1
243.06549	7.6
245.00967	1.8
245.04321	2.1
245.08217	2.2
247.02396	2.8
253.05128	2.2
255.02931	4.5
256.03818	3.2
257.04602	2.5
257.08075	2.2
259.02539	9.9
259.09869	2.6
269.04602	12.5
269.11755	2.0
270.05087	3.0
271.02469	3.2
273.07507	3.3
275.01953	4.5
283.09641	3.3
285.04077	3.6
285.11243	2.6
287.05533	1.7
287.09338	11.1
288.02786	4.0
289.03339	2.7
289.06891	2.2
295.09671	5.1
297.04172	11.2
297.11322	5.0
298.04715	4.5
298.08029	2.1
299.01730	2.8
299.09174	8.3
301.03574	14.4
301.10944	3.1
307.09705	4.2
311.09189	11.0
313.07486	1.9
313.10791	10.6
315.08887	2.4
315.12350	7.7
323.09247	11.7
325.03564	3.4
325.07349	2.6
325.10797	8.6
326.04306	5.6
326.07910	3.4
329.10159	3.8
331.11816	6.0
339.08701	5.3
340.09647	3.5
341.10376	39.8
342.10916	4.2
343.08197	2.7
343.11993	4.5
351.08679	6.8
355.06573	2.5
357.09793	15.9
358.10049	4.4
359.11386	46.5
360.11874	4.2
368.08832	4.2
369.09879	91.2
370.10229	9.9
385.09378	2.9
386.10303	15.7
387.10919	71.1
388.11047	5.9
407.07504	2.7
413.08746	4.1
421.07739	2.2
431.09967	9.2
487.09659	2.1
487.16150	26.0
488.16022	3.0
505.17157	13.0
515.15582	14.6
517.31049	9.3
531.15289	2.6
533.16797	51.8
534.17419	9.2
577.15460	94.2
577.30774	4.2
578.16144	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	577.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47392	0.9
53.04831	0.9
57.03336	8.4
59.01262	25.5
61.98730	1.5
63.02271	5.6
65.00203	11.7
68.99688	1.2
69.03319	1.2
69.21881	11.8
71.01271	9.8
72.99185	6.0
73.02830	2.3
73.45766	0.8
75.00770	3.0
81.03340	2.5
83.01272	11.1
85.02859	4.9
87.00759	1.7
89.02341	5.9
93.03346	2.0
95.01277	4.3
95.04943	1.5
96.95896	5.6
97.02827	1.4
99.00777	4.2
101.02377	6.1
107.01289	23.3
108.02121	2.1
109.02859	6.3
111.00784	3.3
113.02350	3.8
119.03465	1.2
119.04930	1.8
120.99567	5.9
121.02851	4.2
123.00777	3.0
123.04422	1.9
123.53295	1.1
124.01563	6.8
125.02367	63.5
126.02657	3.6
127.16348	0.9
133.02927	1.4
135.02879	1.9
135.04404	3.0
135.08031	1.5
137.02371	11.4
143.03490	1.0
146.03629	1.3
147.04477	1.3
149.02350	3.6
149.04463	2.4
150.03191	1.2
151.00302	94.8
151.03830	2.7
151.11261	2.2
152.01105	25.5
153.01820	2.5
159.04433	1.5
160.90276	1.0
161.02374	2.9
161.04454	1.4
161.09659	2.9
163.00342	3.0
163.03996	3.1
163.07527	1.6
164.01099	2.8
165.01843	4.3
165.09026	1.1
166.02507	1.1
167.03392	2.9
167.20761	1.1
169.01370	12.2
174.03188	1.0
175.03926	2.3
177.01897	4.8
177.09113	2.2
178.99811	100.0
179.10718	2.5
180.00148	6.0
181.01364	1.4
187.03961	2.4
187.07622	2.7
189.01935	6.4
189.09163	5.3
190.02687	2.0
191.03485	4.7
192.00612	4.2
193.01393	34.9
193.05034	1.6
193.08647	4.2
194.01755	1.5
197.09738	0.9
199.07664	0.9
201.05629	1.1
203.03467	5.8
203.07208	1.1
205.01384	7.9
205.08629	1.6
206.02104	3.9
207.02945	5.7
207.10208	2.4
209.00928	2.4
211.03979	1.3
213.09164	1.0
214.02415	1.1
215.03532	2.3
215.07106	2.0
217.01407	2.7
217.05023	2.1
217.08694	4.0
218.02151	1.0
219.02986	9.0
224.04752	1.2
225.05516	1.7
227.03519	2.1
229.04973	2.0
230.02135	1.8
231.02988	4.1
232.03722	4.4
233.04498	3.3
233.08263	2.1
241.05109	2.3
243.02953	4.3
243.06644	5.0
245.00992	2.6
245.08035	1.4
247.02489	3.2
253.05002	2.0
255.10313	2.9
256.03662	2.2
257.04422	1.8
259.02426	10.1
261.04132	1.3
269.04575	8.9
269.07614	1.4
270.05261	1.6
271.02408	3.6
271.09842	3.3
272.03140	1.2
273.04263	2.2
273.07675	2.9
273.11084	1.0
275.01974	3.6
283.05984	1.1
283.09802	3.7
285.04236	1.6
285.11240	1.6
287.02121	2.4
287.05942	1.8
287.09274	11.1
287.12537	1.5
288.02707	3.5
289.03717	1.9
289.07217	2.7
295.09906	2.4
297.04126	7.9
297.07516	2.1
297.11301	4.1
298.04782	3.0
298.08157	2.1
299.09296	7.8
301.03564	16.0
301.10693	1.6
305.04462	2.5
307.09784	4.0
311.09323	7.2
313.10910	6.5
315.08755	4.3
315.12436	3.7
323.09402	8.0
325.03558	3.0
325.07382	2.0
325.10696	6.2
326.04257	4.4
326.07983	3.4
327.08508	1.3
329.03229	1.4
329.10257	3.5
331.11710	6.0
339.08743	4.9
340.09442	3.3
341.06198	2.4
341.10336	42.4
342.10703	5.0
343.08270	2.3
343.12076	2.6
351.08783	4.5
355.06909	2.4
357.09805	17.2
358.10361	2.5
359.11383	35.2
360.11896	2.4
368.09033	2.8
369.09848	67.1
370.10349	7.4
377.89380	1.2
385.09222	3.2
386.10120	9.1
387.10907	59.6
388.11377	6.2
397.18588	1.3
407.08084	1.5
413.08856	5.1
421.07404	1.3
430.09253	1.7
431.09952	10.4
437.31052	1.4
453.30029	1.9
457.15375	2.6
469.29694	1.4
487.16034	7.8
488.16360	1.5
505.17108	9.6
515.15735	10.1
516.16174	2.0
517.23242	1.5
517.31787	16.4
533.16797	38.2
534.17236	5.2
577.15698	94.2
578.15826	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	577.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79848	1.0
55.32784	0.9
57.03320	3.0
59.01262	85.3
61.98727	7.2
63.02279	7.4
63.83099	0.9
65.00202	11.4
68.32526	0.9
70.16547	4.3
71.01272	7.1
72.99179	1.1
73.02831	2.1
75.00752	1.5
76.66154	0.9
78.95773	1.3
83.01277	11.9
85.02828	4.7
87.00769	1.6
88.98696	1.6
89.02335	4.9
93.03379	1.4
95.01281	1.8
96.95931	5.2
101.02349	5.2
107.01283	23.5
109.02841	2.1
111.00763	1.3
113.02352	2.8
116.92772	2.3
119.04910	2.4
121.02876	1.0
123.04396	1.5
124.01538	2.4
125.02361	21.9
126.02670	2.0
128.90088	1.8
129.01875	1.1
131.03394	0.9
133.02875	1.3
134.03720	1.1
135.02893	2.1
135.04425	3.7
137.02353	4.1
141.12225	1.0
145.02982	1.0
146.03677	6.0
147.08075	3.3
148.81093	1.1
149.02324	1.7
151.00304	92.4
152.01103	8.6
153.01796	2.4
157.06514	1.2
159.04466	2.4
160.05261	1.3
161.02357	2.3
163.00250	2.2
163.03963	1.3
164.01074	2.1
165.01859	2.4
167.03387	1.5
169.01393	12.9
171.10205	1.2
173.06001	1.6
174.03128	1.4
175.07619	11.7
177.01845	4.4
178.99817	100.0
179.03406	3.4
180.00131	4.2
185.06036	2.0
187.03822	2.2
191.01898	2.1
191.07173	1.3
193.01384	5.2
199.03883	1.4
201.01878	3.4
203.03479	3.2
203.07005	1.0
207.02910	1.5
207.10291	2.4
209.11723	1.8
211.03952	1.1
217.01360	1.3
219.06488	1.8
225.05528	2.2
227.03458	2.2
228.04234	1.1
229.01459	3.6
230.02095	1.1
231.02959	3.1
239.03505	1.5
240.04260	2.3
241.05133	1.3
243.02934	1.8
245.04317	1.0
245.08168	1.7
253.05069	1.7
253.08853	1.5
254.05673	1.4
255.03036	3.2
255.06531	1.0
255.10365	1.7
256.03638	3.1
257.00885	3.8
257.08203	2.1
265.08551	1.9
267.02942	1.3
267.06653	1.8
267.10257	1.5
269.04541	2.1
269.08023	1.2
269.70801	1.2
270.01752	1.8
271.02414	4.6
271.09787	1.2
272.03253	1.1
275.01947	8.0
280.03879	1.2
281.04620	3.4
281.08228	3.2
283.02631	6.7
283.09653	3.0
284.03094	1.1
285.04504	1.1
285.07712	3.4
285.26501	1.0
286.01025	1.1
287.02283	1.0
287.05481	1.4
289.03561	7.1
289.07202	3.1
293.08282	2.3
297.03891	1.6
299.02005	1.4
299.09241	3.9
300.02740	2.6
308.03055	1.6
309.04037	4.0
309.07681	4.0
311.02069	7.6
311.05530	1.9
311.09128	6.5
312.02628	1.4
313.07135	1.9
316.02054	1.1
321.03928	1.3
322.04843	1.9
326.07889	1.0
327.04843	2.0
327.08783	38.9
328.09134	3.7
337.07233	10.5
338.07748	1.6
339.08798	3.1
341.10297	2.7
343.04550	2.0
343.08435	1.3
353.06647	2.5
355.08282	83.0
356.08673	8.8
359.11343	2.0
369.09821	18.4
370.10178	2.7
385.09286	1.8
387.10898	64.4
388.11371	9.6
399.06937	1.3
407.07782	1.9
413.08801	2.9
431.09799	1.3
501.14127	46.9
502.14468	6.9
515.15576	2.8
517.31934	6.2
533.16772	1.3
533.29602	3.3
545.12939	2.5
577.15649	25.5
577.32550	7.0
578.15833	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	577.1578
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.17688	0.8
57.03335	4.5
58.00472	1.3
59.01263	16.7
59.01717	0.8
61.98701	3.3
63.02274	2.4
65.00204	3.6
69.03336	2.4
70.97554	1.7
71.01273	14.1
72.99187	1.1
73.02837	6.8
73.03175	1.1
75.00776	1.9
79.95634	1.1
83.01282	7.5
83.14852	0.9
85.02849	5.2
87.00774	0.9
89.02338	6.7
93.03352	1.2
95.01276	2.2
96.95283	1.8
96.95914	30.8
97.02850	2.1
99.00784	1.2
99.04414	1.6
101.02334	9.1
107.01293	8.1
107.04899	0.9
108.02086	11.2
109.02865	8.0
111.95493	0.7
113.02338	4.7
119.03400	2.6
119.04923	3.8
120.99565	2.1
121.02849	2.1
121.06532	1.4
123.04427	2.0
124.01586	2.0
125.02368	29.2
133.02841	1.4
133.06537	1.2
134.03629	2.7
135.02916	1.4
135.04446	5.1
135.08092	1.3
137.02376	6.6
137.05988	1.5
149.04535	0.9
151.00319	42.2
151.03934	2.9
152.01105	26.0
153.01888	7.5
159.04433	1.0
161.02361	2.4
161.04497	2.5
161.09621	0.9
163.00279	0.9
163.03949	3.4
163.06129	2.1
163.07581	2.3
165.01871	1.9
167.03458	1.8
169.01399	4.4
173.09650	1.0
175.02431	1.0
175.03941	1.9
177.01988	4.0
178.02739	1.6
178.99829	46.4
179.03391	3.3
179.05486	1.5
180.00179	2.5
181.01434	1.2
189.09137	1.1
191.03456	1.1
193.01401	16.8
193.05067	7.1
193.08574	1.6
194.01830	1.0
194.73268	0.8
201.09248	0.9
202.92282	0.8
203.07243	0.9
205.01392	3.3
205.05113	0.9
207.03067	1.2
211.04008	1.8
211.13416	2.3
213.05605	1.0
217.05019	1.1
219.02905	2.4
227.03494	1.0
229.08644	0.9
233.04507	1.3
233.07904	1.0
239.03481	1.9
243.06648	1.2
245.04604	1.6
255.02991	1.2
263.05536	1.6
269.04501	4.1
271.02484	1.1
271.05139	0.9
273.07822	2.6
283.02682	1.5
284.03369	1.0
285.04074	4.5
285.07199	1.4
287.09244	2.1
289.07220	3.9
291.08835	13.6
292.09335	1.8
301.03644	1.7
313.07294	16.7
314.07327	1.2
315.07129	5.3
316.02225	2.0
316.51831	1.0
341.10294	2.0
343.08176	1.7
357.05890	1.3
359.11362	3.3
369.09924	12.1
370.10367	1.2
371.20773	4.6
386.10083	1.8
387.10944	100.0
388.11218	11.2
407.07843	2.4
413.08923	3.0
437.14493	4.0
517.26013	12.9
518.26483	1.4
533.16589	5.3
534.17200	1.5
559.14282	5.2
577.19641	20.6
577.30933	3.1
578.19946	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	577.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
58.00447	0.3
59.01261	100.0
60.01593	0.7
60.99179	0.9
61.40286	0.3
61.98724	3.2
63.02279	4.6
65.00207	6.5
65.92702	0.3
68.99708	0.4
69.33189	0.3
70.72173	0.9
71.01267	3.6
72.76568	0.3
72.99200	0.8
73.02836	1.7
75.00764	0.7
81.03363	0.4
83.01268	6.3
85.02827	1.6
87.00744	0.3
89.02333	1.9
92.02556	0.3
93.03371	0.4
95.01292	0.8
96.95909	5.1
97.02908	0.4
99.04391	0.4
101.02338	2.2
101.02942	0.3
107.01289	13.1
107.04938	0.5
109.02889	0.7
113.02373	0.9
119.03423	0.5
119.04931	1.1
119.08598	0.8
120.70519	0.3
121.02892	0.4
123.00844	0.5
123.04433	0.3
124.01597	1.1
125.02362	11.9
126.02717	0.7
133.02899	0.6
133.06473	0.4
134.03662	0.4
135.04460	1.9
136.01678	0.4
137.02357	2.0
141.01849	0.3
143.08630	0.6
145.02873	0.5
145.06548	0.5
146.03683	3.0
147.04399	0.5
147.08063	1.9
149.02432	0.6
151.00299	49.6
152.01080	4.4
153.01813	1.3
155.08624	0.3
157.06506	0.7
159.04457	1.0
159.08058	0.4
161.02406	0.7
161.04504	0.5
161.05864	0.3
163.00357	0.8
163.03941	1.0
164.01088	0.7
165.01865	1.0
165.05511	0.6
167.03391	0.6
168.00580	0.8
169.01370	7.3
171.08134	0.4
173.06044	1.0
173.09659	0.4
174.03210	0.4
175.07597	6.0
177.01863	1.7
178.99812	58.4
179.03288	1.2
180.00140	3.1
181.06573	0.4
183.04488	0.5
183.11703	1.0
185.06035	0.5
187.03973	0.4
188.04845	0.4
189.01880	0.4
189.05415	0.5
191.03404	0.4
192.00574	0.6
193.01349	1.5
193.04973	0.8
197.05998	0.8
199.03793	0.5
201.01878	1.8
201.05548	0.8
201.09239	0.4
202.02565	0.6
203.03520	0.7
203.07100	1.5
207.10158	1.7
208.05190	0.5
209.06006	0.5
209.11787	0.4
210.06763	0.3
211.03973	1.0
212.04662	1.1
213.05482	0.6
213.09221	0.7
214.02687	0.4
217.01367	0.5
217.08527	0.4
223.07632	0.7
224.04726	1.0
225.05418	0.8
225.08965	0.4
227.03528	1.1
227.10867	0.6
229.01398	2.2
229.04984	0.8
230.02144	0.6
230.05800	0.5
235.09618	0.5
236.04720	0.4
237.05539	0.6
237.09140	0.6
239.03531	1.0
240.04329	0.8
241.05009	1.2
241.08688	1.0
242.05399	0.5
243.02986	0.6
243.06798	0.4
251.06944	0.5
252.04361	0.8
253.04924	2.2
253.08696	0.9
254.05908	0.6
255.02969	1.9
255.10278	0.7
256.03757	1.5
257.00974	3.0
257.08313	0.6
258.01556	1.2
259.09689	1.0
264.04224	0.9
265.08740	0.6
267.02957	0.3
267.06631	1.6
268.07404	0.6
269.04605	0.8
269.08221	0.9
271.02512	1.4
271.09775	1.7
274.01135	0.7
275.01831	0.4
278.05804	0.5
279.03232	0.4
280.03842	0.7
281.04575	2.0
281.08194	2.3
282.05197	0.6
282.08792	0.7
283.02585	3.9
283.09744	1.7
284.03073	1.0
285.04413	0.5
285.07724	1.6
286.01474	0.8
289.03641	4.6
289.06961	0.6
293.04984	0.6
293.08392	1.5
295.02628	0.4
296.03638	0.4
296.07016	0.7
297.04123	0.7
298.01172	1.1
298.04532	0.5
299.02182	0.4
299.05823	0.7
299.09210	2.6
300.02850	0.8
301.11023	0.5
309.04080	2.9
309.07755	2.2
310.04483	0.5
310.08408	1.0
311.02072	4.0
311.05566	0.9
311.08984	2.8
312.02661	1.1
312.06247	0.5
313.07321	1.4
314.00699	1.1
314.08090	0.7
315.01584	0.8
315.05054	0.6
316.01880	0.8
321.04080	1.0
322.04758	1.2
323.05270	0.5
325.11078	0.4
326.04425	0.5
327.08786	37.9
328.09070	3.7
337.07220	7.7
338.07648	1.0
339.08682	2.4
339.21252	0.9
340.05670	0.7
341.10324	1.7
343.04611	1.4
343.08331	0.6
351.08899	0.5
353.22748	1.0
355.08282	39.1
355.24374	1.6
356.08475	3.9
357.22388	0.9
361.32144	0.4
368.09058	1.9
369.09827	15.2
370.10245	1.3
371.15305	0.5
371.27527	1.8
373.25415	1.0
381.55643	0.4
385.25345	1.0
386.09958	0.7
387.10907	39.4
387.27380	0.8
388.11188	4.5
391.26605	1.0
403.26419	3.0
405.28030	1.0
407.25766	0.7
417.24426	1.0
421.27649	0.6
425.30469	0.6
427.28607	1.0
430.08942	0.6
435.29150	0.4
437.30658	6.2
439.28876	2.0
443.31519	1.1
451.28537	2.3
453.30176	11.9
454.30627	0.8
455.31781	7.8
469.29648	7.3
470.29999	0.7
473.32748	4.6
481.29672	0.9
487.30612	3.2
497.28925	1.2
499.30704	0.6
501.28174	0.6
513.28149	0.9
515.15613	3.5
516.16174	0.6
517.31781	48.6
518.32104	4.0
531.24524	1.0
533.16919	0.7
533.28876	0.5
577.15613	3.5
577.34320	2.5
578.15625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.6
58.00477	2.6
59.01261	56.6
60.37824	1.2
67.07064	1.3
69.03333	1.6
69.88647	2.3
69.89055	5.8
71.01270	43.9
72.99187	3.4
73.02831	12.9
75.48386	1.2
83.01263	2.9
83.56221	1.2
85.02847	6.7
87.82503	1.3
89.02334	100.0
90.02673	1.8
90.92406	1.2
96.95909	3.1
97.02838	4.2
98.20514	1.3
99.00774	32.8
99.04473	1.3
101.02342	35.3
109.02833	7.4
110.32267	1.2
113.02357	7.1
114.50082	1.4
119.03389	2.9
119.04923	1.2
119.91470	1.1
121.02902	2.2
123.04406	5.0
125.02367	40.4
131.03445	14.5
135.02905	4.2
135.67612	1.2
137.02383	6.7
143.03423	5.5
149.04488	67.7
150.03162	1.4
150.04869	2.0
151.03934	4.6
161.02409	8.9
161.04501	6.3
161.05847	1.2
165.01857	3.5
175.03941	3.1
177.01930	1.9
179.03415	2.3
191.05573	15.8
203.07138	2.3
205.04990	2.0
221.06645	12.6
229.05042	1.3
245.08211	3.1
251.07683	5.0
281.08694	1.5
287.05676	3.1
289.07217	14.3
290.07834	1.6
293.08789	8.3
311.09875	16.5
312.10376	1.6
327.08807	2.4
407.07632	11.1
408.08224	1.7
425.08835	5.8
438.42932	1.3
451.10129	3.1
577.13318	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	577.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88196	0.4
59.01261	1.3
60.48238	0.3
63.96134	2.0
69.03342	1.0
71.01266	10.4
71.33768	0.5
71.34122	0.6
72.99193	0.4
73.02835	2.4
78.98475	8.3
79.95206	0.2
79.95618	14.9
80.96406	100.0
81.03329	1.2
83.01250	0.5
85.02825	4.3
87.00771	3.4
94.97980	24.6
95.01250	0.3
96.95906	1.5
97.02854	2.9
99.00774	0.7
101.02335	3.8
106.97999	4.9
111.31188	0.4
113.02334	0.8
122.97485	7.7
125.02376	5.3
127.03899	1.2
134.97496	6.7
136.99075	2.3
146.97498	0.5
148.99078	8.5
152.98578	10.4
164.98582	16.0
165.98911	0.7
167.00197	0.7
176.60954	0.3
182.99638	4.0
188.98679	0.4
206.99651	3.8
225.00735	26.1
226.01016	0.8
243.01787	2.5
264.08554	0.5
277.21744	2.7
278.22232	0.4
299.04465	3.3
577.26971	81.7
578.27234	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02065	0.3
59.01262	3.0
63.96117	1.0
69.03341	0.3
71.01266	7.0
73.02833	1.5
78.95801	0.8
78.98478	5.5
79.95623	8.8
80.96409	62.4
81.03361	0.6
81.08267	0.2
81.96350	0.4
83.01296	0.4
85.02840	2.6
87.00768	2.6
91.03918	0.3
94.97982	14.7
95.01266	0.4
96.95918	1.2
97.02836	1.2
99.00802	0.7
101.02359	2.1
106.97987	3.1
113.02343	0.4
122.97495	3.2
125.02379	2.4
127.03938	0.8
134.97505	4.8
136.99071	1.8
146.97597	0.3
148.99078	5.2
152.98557	5.4
164.02475	0.3
164.98579	10.6
165.98932	0.3
167.00142	0.6
206.99689	2.4
225.00740	14.1
226.00984	0.7
229.70808	0.3
242.08022	0.6
257.80377	0.3
277.21750	1.6
279.23343	16.1
299.04489	2.9
331.60306	0.3
365.90891	0.3
504.31058	7.3
577.26984	100.0
578.27289	17.4
578.36603	0.5
578.40778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01263	100.0
60.01598	1.0
61.98714	9.9
71.01272	0.5
71.58882	0.3
72.99216	0.5
73.02834	0.3
75.00763	0.9
78.95813	1.9
85.02825	0.4
90.75613	0.3
96.95905	0.3
125.02375	1.5
137.02403	0.5
142.69481	0.3
152.99550	0.9
161.02408	0.4
165.02002	0.3
170.69673	0.3
171.00548	0.4
183.13248	0.3
274.54285	0.3
289.07306	0.6
290.15561	0.3
407.07950	0.5
467.27783	0.3
469.29834	0.8
487.31149	0.5
489.32483	0.5
517.31842	5.8
518.32092	0.9
577.35083	1.6
577.94830	0.4
578.31921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24737	0.1
56.66029	0.2
59.01261	100.0
60.01591	0.7
61.98724	1.0
62.10924	0.1
66.48525	0.1
71.43404	0.2
71.43775	0.3
75.00763	1.4
78.95794	0.5
94.80527	0.1
105.34589	0.2
125.02380	0.3
171.00575	0.2
174.12628	0.2
221.83939	0.1
277.18289	0.6
295.19263	0.4
407.29910	0.2
425.30872	0.7
443.31754	0.5
487.30670	0.3
501.32303	0.2
517.31940	0.6
577.34320	1.3
578.32172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17061	0.5
57.03355	0.6
57.36674	0.4
59.01262	100.0
60.01608	0.9
65.00212	0.9
69.23212	1.8
69.23631	3.4
71.01309	0.7
73.02828	0.5
74.80609	0.4
75.13176	0.5
83.01288	0.9
96.95938	0.8
107.01308	2.5
119.08591	1.1
125.00072	0.7
125.02380	1.9
135.04407	0.6
143.08597	0.8
151.00310	7.6
169.01436	1.2
175.07607	0.7
178.99808	8.0
183.11739	1.2
185.06183	0.6
289.03558	0.8
311.02036	1.0
327.08786	4.2
337.07416	0.6
339.21307	0.7
353.22809	0.8
355.08337	4.9
355.24554	1.3
356.08981	0.6
356.25177	0.6
357.22211	0.8
369.10001	1.6
371.27600	1.8
373.25549	1.5
387.10983	4.4
387.27118	1.8
388.11276	0.6
388.27618	0.7
391.26694	0.9
403.26474	2.6
405.28232	0.9
421.27768	1.4
425.30713	0.8
427.28696	0.7
435.29080	0.6
437.30527	7.2
438.31461	0.9
439.28665	2.3
443.31931	1.2
453.30154	12.1
453.36035	0.8
454.30872	1.8
455.31857	7.2
456.32321	1.3
457.30167	0.6
469.29645	5.9
470.30313	1.0
473.32959	4.2
474.33170	0.6
487.30640	2.7
499.30920	0.7
513.28992	0.6
517.31781	35.0
518.32135	5.6
518.37976	0.5
570.25165	0.5
577.33978	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.5
59.01263	100.0
60.99194	1.4
61.98714	1.3
62.78363	0.6
65.00224	1.0
69.03323	0.8
69.77743	2.1
69.78161	2.2
71.01264	7.6
71.04910	0.8
72.99214	1.2
73.02843	1.7
75.00771	3.0
83.01275	1.6
85.02851	2.7
86.02391	1.3
87.00764	1.2
89.02341	8.0
93.03393	1.6
95.01252	0.8
96.00835	1.0
96.95907	8.5
98.19868	0.9
99.00801	1.9
101.02349	4.6
102.01601	0.7
107.01311	1.2
109.02869	2.5
113.02375	2.0
113.03514	1.5
119.03385	1.3
119.04940	1.6
123.04456	1.6
124.01581	1.1
125.02367	14.6
126.02764	0.7
128.20200	0.9
128.40199	0.7
130.50113	0.7
131.03452	1.7
135.02989	1.0
135.04448	1.5
137.02353	6.1
149.04483	4.0
149.31755	0.8
151.00351	3.5
151.01378	0.7
151.03946	2.3
151.52698	0.7
152.01166	1.2
153.01828	2.4
153.42508	0.8
157.01555	0.7
161.02411	2.2
161.04480	0.9
163.06110	2.1
177.01894	1.5
177.86736	0.7
178.99870	4.9
179.03442	1.9
181.04947	0.8
191.05478	0.8
193.01437	1.1
203.06963	1.1
206.16147	0.9
243.03149	0.9
245.01048	1.0
251.62608	0.8
255.03021	1.0
267.54028	0.8
271.02573	0.8
285.00787	1.1
288.49072	0.8
289.07336	3.9
371.61273	0.8
385.24976	0.7
391.26682	1.2
403.26578	1.3
405.28165	1.2
407.08005	1.7
417.05649	1.3
422.04745	1.6
433.07693	1.3
437.30698	4.4
439.28842	1.8
451.28601	4.1
453.30246	8.0
454.30539	0.9
455.31903	5.0
468.10330	0.7
469.29556	8.1
470.30112	1.4
473.33109	2.4
487.30524	1.5
490.08603	1.2
497.29230	1.5
517.23816	1.9
517.31805	48.6
518.32184	8.4
557.06866	0.8
561.30811	0.9
571.07990	0.8
577.34839	6.6
578.33923	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	577.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.5
59.01263	100.0
60.99194	1.4
61.98714	1.3
62.78363	0.6
65.00224	1.0
69.03323	0.8
69.77743	2.1
69.78161	2.2
71.01264	7.6
71.04910	0.8
72.99214	1.2
73.02843	1.7
75.00771	3.0
83.01275	1.6
85.02851	2.7
86.02391	1.3
87.00764	1.2
89.02341	8.0
93.03393	1.6
95.01252	0.8
96.00835	1.0
96.95907	8.5
98.19868	0.9
99.00801	1.9
101.02349	4.6
102.01601	0.7
107.01311	1.2
109.02869	2.5
113.02375	2.0
113.03514	1.5
119.03385	1.3
119.04940	1.6
123.04456	1.6
124.01581	1.1
125.02367	14.6
126.02764	0.7
128.20200	0.9
128.40199	0.7
130.50113	0.7
131.03452	1.7
135.02989	1.0
135.04448	1.5
137.02353	6.1
149.04483	4.0
149.31755	0.8
151.00351	3.5
151.01378	0.7
151.03946	2.3
151.52698	0.7
152.01166	1.2
153.01828	2.4
153.42508	0.8
157.01555	0.7
161.02411	2.2
161.04480	0.9
163.06110	2.1
177.01894	1.5
177.86736	0.7
178.99870	4.9
179.03442	1.9
181.04947	0.8
191.05478	0.8
193.01437	1.1
203.06963	1.1
206.16147	0.9
243.03149	0.9
245.01048	1.0
251.62608	0.8
255.03021	1.0
267.54028	0.8
271.02573	0.8
285.00787	1.1
288.49072	0.8
289.07336	3.9
371.61273	0.8
385.24976	0.7
391.26682	1.2
403.26578	1.3
405.28165	1.2
407.08005	1.7
417.05649	1.3
422.04745	1.6
433.07693	1.3
437.30698	4.4
439.28842	1.8
451.28601	4.1
453.30246	8.0
454.30539	0.9
455.31903	5.0
468.10330	0.7
469.29556	8.1
470.30112	1.4
473.33109	2.4
487.30524	1.5
490.08603	1.2
497.29230	1.5
517.23816	1.9
517.31805	48.6
518.32184	8.4
557.06866	0.8
561.30811	0.9
571.07990	0.8
577.34839	6.6
578.33923	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	577.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
58.61676	0.6
59.01262	57.5
60.01575	0.7
60.76909	0.6
62.43079	0.7
69.03327	2.8
70.40051	1.4
70.40445	1.6
71.01266	2.8
71.52273	0.7
73.02838	1.1
75.00741	0.8
82.20354	0.6
85.02795	0.7
89.02301	1.6
93.24789	0.7
94.00694	0.7
96.95921	1.7
97.02866	1.1
98.50346	0.7
101.02318	1.4
107.80817	0.8
109.02842	1.9
112.57435	0.6
113.44650	0.7
122.04736	0.6
123.04417	1.2
125.02364	11.7
126.36272	0.6
129.18510	0.7
135.02913	0.8
135.04486	0.9
137.02333	2.0
151.03929	1.1
161.02365	2.4
164.93121	0.7
167.03383	0.8
185.01015	1.3
197.45424	0.6
198.01303	0.7
205.12291	0.9
236.75110	0.6
245.08153	1.0
255.03018	0.8
287.05505	0.8
289.07248	5.0
303.21109	1.1
392.27408	0.7
407.07703	3.5
421.27448	0.8
425.08694	1.6
433.27481	2.9
435.25232	1.1
439.28473	1.9
451.10629	0.9
451.22293	1.2
451.28568	19.2
452.28867	2.3
465.26624	1.9
467.28198	1.0
469.29593	10.5
470.29916	1.5
487.30969	3.2
513.28625	2.8
517.31781	100.0
518.32068	17.7
577.13977	1.6
577.33917	1.9
578.33405	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27792	0.7
59.01262	18.1
64.85950	0.7
69.71334	1.6
69.71752	3.2
71.01254	2.6
80.96413	0.9
82.64901	0.6
89.02316	1.8
101.02353	2.0
113.02339	1.3
143.96086	0.6
209.11754	2.0
235.08122	1.2
253.09346	13.0
281.24902	100.0
282.25284	10.1
293.21179	1.9
372.74948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92546	0.2
53.28395	0.2
59.01265	19.0
62.60788	0.2
63.38321	0.2
70.33332	0.5
70.33743	0.7
71.01270	1.2
73.02853	0.2
78.95321	0.3
78.95789	6.1
78.98475	0.9
79.95622	1.3
80.96409	10.1
81.96371	0.2
82.95983	0.9
85.02830	0.3
87.00774	0.5
91.46571	0.2
94.97993	2.1
98.19836	0.3
106.98009	0.3
122.97508	0.5
125.02348	0.6
134.97472	0.5
148.99051	0.7
152.98512	0.5
152.99529	1.1
164.98584	1.2
165.01822	0.2
168.04294	1.4
197.12770	0.2
212.81772	0.2
224.06938	0.9
225.00703	1.7
226.01065	0.5
242.08014	2.2
261.22137	0.3
269.48444	0.2
279.23340	100.0
280.23697	10.0
288.29874	0.2
299.04526	0.3
382.61768	0.2
504.31088	38.1
505.31433	5.8
505.38904	0.3
519.28253	0.3
578.27283	13.4
579.27106	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	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34407	0.2
59.01264	25.0
60.01580	0.3
61.98698	0.5
62.96294	0.3
70.59283	0.6
70.59615	0.6
78.95792	21.4
79.95640	0.3
80.96399	1.5
93.14765	0.2
122.98433	0.4
131.14006	0.3
151.00317	0.3
152.98500	0.3
152.99548	3.3
164.98561	0.6
168.04259	3.6
224.06929	10.0
225.00909	0.4
225.07237	0.3
242.07957	2.2
242.19725	0.3
261.22125	0.5
277.21802	0.5
278.36646	0.3
279.23337	100.0
280.23682	9.2
306.68103	0.3
457.17743	0.3
504.31064	70.0
505.31387	11.3
505.38980	0.4
578.27258	0.7
579.28528	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2095
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03341	0.4
59.01260	1.4
71.01265	2.1
73.19143	0.3
83.01324	0.3
84.02092	0.3
85.02845	1.7
89.02354	0.8
93.03311	0.3
95.01286	0.7
95.04958	0.3
101.02371	0.9
108.02113	0.3
109.02872	1.9
111.00842	0.4
111.64883	0.2
113.02359	0.6
117.20447	0.2
119.03481	0.3
119.04932	0.5
121.02865	0.9
123.00787	2.5
123.04433	0.6
124.01584	0.3
125.02412	1.2
133.02788	0.4
135.02901	0.3
135.04454	0.3
137.02377	10.6
138.02895	0.5
139.00323	0.5
139.03967	0.5
147.04469	0.3
149.02397	1.0
150.03200	0.7
151.00311	18.9
151.03883	1.8
152.01147	1.5
152.04736	2.3
153.01872	0.5
153.05534	0.4
154.02663	0.5
159.03073	0.3
159.04431	0.5
161.04527	0.5
163.03961	0.8
164.04756	0.6
165.01866	1.3
166.02667	63.2
167.03279	4.2
175.04031	1.4
177.00439	0.4
177.01883	3.1
177.03348	0.4
177.05444	0.4
178.02664	0.7
179.03445	1.0
181.05026	77.6
182.05353	3.4
184.03735	0.8
188.04779	0.3
189.05591	0.3
190.02588	0.3
190.06326	0.9
191.03467	0.8
192.04228	1.1
193.05038	0.9
195.02991	0.6
205.05064	1.1
205.08655	0.6
206.05649	0.4
207.06581	1.5
209.04559	0.6
217.05099	0.3
218.05876	0.3
219.06610	0.3
220.07338	0.3
224.03137	0.4
233.08075	0.3
235.06015	0.3
237.58286	0.2
269.04590	0.3
301.07175	0.4
314.08084	0.4
329.10272	0.5
341.10489	0.3
344.09174	0.3
357.09988	0.6
359.11435	1.9
360.11710	0.4
369.09924	0.4
371.14990	0.6
372.12320	0.3
387.10916	16.5
388.11255	1.7
402.08322	0.5
402.13263	7.8
403.13684	0.7
417.15628	100.0
418.16000	13.1
418.20657	0.3
519.31567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31486	1.4
57.03325	5.0
59.01262	36.6
61.98714	9.1
67.63474	1.5
71.01263	7.4
71.57893	2.2
72.99191	1.9
75.00768	10.7
78.95779	2.8
81.03358	2.8
83.01237	1.4
88.98698	7.1
89.02332	9.2
93.03342	1.8
96.95921	3.5
97.02836	1.8
97.06474	2.3
101.02318	8.6
109.02853	2.9
113.02395	3.7
123.04433	4.8
125.02356	16.5
125.09664	1.7
137.02405	7.6
137.09694	1.9
145.02916	1.9
151.03925	6.1
152.04257	2.0
156.78818	1.6
161.02402	2.8
161.04512	2.4
163.00343	1.7
163.11255	4.8
165.01929	3.9
165.12813	2.1
179.05475	1.8
185.11769	4.6
191.14426	8.0
197.05702	1.8
207.10185	2.0
209.11943	1.7
225.11333	2.3
237.11356	6.1
245.19115	13.5
253.09308	40.8
254.09653	2.4
271.17001	2.9
289.07101	3.1
289.18155	91.2
290.18451	8.9
307.19202	100.0
308.19519	7.8
417.22830	3.2
453.30313	2.3
457.33411	2.7
474.21234	1.6
519.33514	18.7
520.33435	2.3
525.27057	6.7
543.28119	7.4
559.01917	2.0
579.25909	26.7
579.35278	4.5
580.26331	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	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.6
59.01259	34.7
61.98713	13.4
66.49710	2.3
71.01266	7.0
71.56623	3.2
73.02824	2.9
75.00748	9.3
81.03370	2.7
83.01264	4.0
85.02833	2.9
87.00787	3.1
88.98701	4.9
89.02320	9.8
96.95908	7.4
97.02842	2.3
101.00507	2.0
101.02334	5.6
109.02849	5.2
113.02330	2.6
121.02961	2.3
123.04456	7.6
125.02356	21.0
125.05941	2.0
125.09612	2.6
126.02748	2.8
135.02908	3.4
137.02376	14.7
149.02267	2.6
151.03931	10.1
161.02347	4.1
161.04518	3.3
163.00229	2.4
163.11177	3.6
164.01015	2.0
165.01843	8.8
171.38708	2.0
175.03943	2.4
185.11786	3.8
191.14388	7.3
199.03969	2.4
203.07117	3.0
237.11290	5.8
245.19154	17.6
253.09293	38.0
254.09578	2.9
289.07294	5.7
289.18137	90.3
290.18484	9.5
307.19193	100.0
308.19446	8.0
308.26816	2.1
367.11871	3.2
417.22543	3.1
509.19476	2.1
519.33508	13.7
525.26959	6.5
543.28467	6.5
544.29395	2.7
579.26056	31.7
579.34503	4.3
580.26489	5.1
604.00134	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66923	1.1
55.01762	1.9
57.03322	4.2
57.73664	1.2
59.01261	21.9
61.98711	3.7
65.50774	1.2
69.03330	2.0
69.24709	2.9
69.25101	13.9
71.01269	37.3
72.99178	2.5
73.02836	12.3
75.00769	3.0
83.01265	3.9
85.02835	14.9
87.00776	3.0
89.02335	17.3
95.01297	2.0
96.95906	6.0
97.02848	3.0
98.19747	2.7
98.95467	1.8
99.00787	8.9
101.02344	25.4
109.02863	2.4
111.00819	2.4
113.02350	12.1
115.00291	1.4
115.03921	1.6
117.01811	1.3
121.02836	1.6
123.00758	1.2
124.09228	1.5
125.02365	8.0
131.03398	2.7
135.02899	9.8
135.04475	4.1
137.02301	2.2
137.09572	1.8
143.03461	1.8
149.04495	3.7
150.03163	2.0
151.00330	3.9
159.02933	3.2
161.04480	7.9
163.03928	1.7
165.05524	1.5
166.02670	9.7
167.03394	1.5
175.02484	3.3
177.01877	2.0
179.03442	5.0
181.05022	13.9
195.06541	2.0
225.15004	1.4
233.06647	2.8
237.05666	1.9
259.02554	1.7
291.07605	1.5
291.70425	1.3
293.08759	3.3
299.05640	1.7
367.20697	1.4
374.05762	1.4
387.11096	1.8
387.20306	15.2
417.15662	19.7
418.15964	2.4
469.28580	1.5
518.32007	3.2
519.24634	100.0
519.32166	7.9
520.24969	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	579.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66923	1.1
55.01762	1.9
57.03322	4.2
57.73664	1.2
59.01261	21.9
61.98711	3.7
65.50774	1.2
69.03330	2.0
69.24709	2.9
69.25101	13.9
71.01269	37.3
72.99178	2.5
73.02836	12.3
75.00769	3.0
83.01265	3.9
85.02835	14.9
87.00776	3.0
89.02335	17.3
95.01297	2.0
96.95906	6.0
97.02848	3.0
98.19747	2.7
98.95467	1.8
99.00787	8.9
101.02344	25.4
109.02863	2.4
111.00819	2.4
113.02350	12.1
115.00291	1.4
115.03921	1.6
117.01811	1.3
121.02836	1.6
123.00758	1.2
124.09228	1.5
125.02365	8.0
131.03398	2.7
135.02899	9.8
135.04475	4.1
137.02301	2.2
137.09572	1.8
143.03461	1.8
149.04495	3.7
150.03163	2.0
151.00330	3.9
159.02933	3.2
161.04480	7.9
163.03928	1.7
165.05524	1.5
166.02670	9.7
167.03394	1.5
175.02484	3.3
177.01877	2.0
179.03442	5.0
181.05022	13.9
195.06541	2.0
225.15004	1.4
233.06647	2.8
237.05666	1.9
259.02554	1.7
291.07605	1.5
291.70425	1.3
293.08759	3.3
299.05640	1.7
367.20697	1.4
374.05762	1.4
387.11096	1.8
387.20306	15.2
417.15662	19.7
418.15964	2.4
469.28580	1.5
518.32007	3.2
519.24634	100.0
519.32166	7.9
520.24969	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	579.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18987	0.3
59.01248	0.7
63.96110	0.9
64.85258	0.3
69.03317	0.4
71.01269	6.7
71.91126	0.3
73.02827	1.8
78.95784	0.4
78.98481	5.6
79.95619	10.9
80.66062	0.3
80.96406	65.3
81.03340	1.0
81.96303	0.3
83.01260	0.6
85.02846	2.9
87.00758	2.7
94.97979	15.0
95.01324	0.4
96.95906	15.6
97.02845	1.7
99.00787	0.5
101.02343	2.4
106.97999	3.1
113.02413	0.3
122.97494	4.6
125.02357	3.5
127.03986	0.7
134.97501	4.5
136.99066	1.3
146.97505	0.4
148.99078	6.2
152.98564	7.1
152.99669	0.6
164.98575	11.4
167.00233	0.6
182.99669	2.2
188.98483	0.3
206.99658	3.1
225.00737	17.4
226.01076	0.8
243.01790	1.4
243.47073	0.3
245.04346	0.3
253.21870	0.3
279.23361	3.1
280.23865	0.5
299.04501	3.2
579.28534	100.0
580.28870	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	579.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.3
63.96113	0.7
69.03344	0.7
69.57742	2.8
71.01272	6.9
72.99223	0.4
73.02838	1.4
78.95793	1.8
78.98478	4.3
79.95623	9.3
80.96409	62.1
81.03342	0.9
83.01283	0.6
85.02852	2.8
87.00755	2.8
94.97983	14.0
96.95913	28.2
97.02857	1.4
99.00771	0.8
101.02346	2.2
106.97943	1.8
109.56184	0.4
113.02369	0.6
113.28164	0.4
122.97498	3.7
125.02350	3.0
127.03915	1.1
134.97505	4.9
136.99063	0.9
146.97510	0.5
148.99080	5.4
152.98523	5.7
152.99529	0.7
164.98581	11.8
188.98796	0.5
194.93790	0.5
201.60730	0.4
203.47670	0.4
206.99637	2.6
225.00745	18.3
245.04279	1.0
253.21866	0.5
255.76424	0.4
277.21753	0.7
279.23325	2.3
299.04388	3.9
343.01367	0.8
404.96310	0.4
481.26007	1.1
579.28546	100.0
580.28906	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23949	0.1
55.63092	0.1
59.01263	1.8
60.01598	0.3
61.01683	0.3
61.98714	100.0
71.01276	0.5
73.02815	0.2
78.95786	1.0
78.98502	0.2
79.95625	0.4
80.51093	0.1
80.96416	2.7
80.98061	0.2
81.95213	0.3
81.96332	0.2
82.95995	2.1
82.96833	0.4
85.02847	0.2
94.97979	0.5
96.97577	0.5
101.02389	0.3
105.89392	0.2
106.97959	0.1
122.97466	0.2
124.97089	0.2
125.02364	0.3
127.03993	0.1
134.97507	0.2
137.02321	0.2
141.18077	0.1
141.50169	0.1
148.44589	0.1
148.99052	0.1
152.98476	0.3
152.99536	0.5
154.98129	0.3
164.98543	0.3
166.98141	0.3
168.04301	0.2
225.00746	0.4
226.00940	0.1
227.00479	0.5
277.21780	4.7
278.19037	0.3
278.22113	5.6
279.22409	3.6
280.22675	2.4
502.29367	1.0
503.29825	0.6
504.29999	1.4
505.30377	2.8
579.27118	7.5
580.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.1
59.01265	26.2
60.01567	0.6
60.99174	1.5
61.98720	6.1
68.85799	0.5
70.14076	1.2
71.01253	1.1
71.04908	20.6
73.02850	0.5
83.01237	0.5
83.04922	0.8
85.02826	1.8
85.06468	0.7
89.02304	0.5
96.95886	0.7
97.06484	1.1
98.19817	0.6
102.59242	0.5
109.02885	0.6
113.02319	0.8
122.95998	0.5
125.02359	3.9
133.02837	0.6
134.03633	0.9
137.02342	2.0
151.03917	1.5
153.76979	0.6
161.02385	0.7
161.96620	0.6
175.02420	0.6
178.02606	0.9
255.17651	0.7
264.29465	0.6
289.07230	0.9
289.19687	2.8
305.19504	0.8
305.22821	4.1
319.24304	1.7
319.54449	0.5
345.17090	0.6
371.27328	1.4
373.25284	0.6
375.27155	1.0
385.27615	0.6
387.26987	1.9
388.26523	0.6
389.24829	1.2
389.29099	0.9
391.30148	10.5
392.30441	1.7
405.27933	9.0
406.28314	1.2
407.30099	2.4
409.31235	1.8
417.22900	0.9
419.29797	1.0
421.31503	0.9
423.29102	10.7
424.29507	1.4
425.30780	5.7
426.30801	0.8
437.30899	0.7
439.32327	2.2
441.29977	1.0
453.30322	0.8
457.33319	47.5
458.33591	7.4
471.31070	1.1
489.32266	12.9
490.32724	1.9
501.32159	5.2
502.33081	1.0
519.33356	100.0
520.33643	17.8
579.26923	1.3
579.35413	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.3
59.01263	100.0
60.01597	1.1
61.98714	1.4
68.49078	0.1
70.45489	0.6
71.01284	0.1
75.00761	0.6
91.24031	0.1
96.95935	0.3
97.64722	0.1
97.67461	0.1
109.02872	0.2
119.08611	0.2
123.04449	0.3
123.35326	0.1
125.02341	0.9
135.02852	0.2
135.19928	0.2
137.02374	0.3
151.03905	0.4
152.67310	0.1
161.02475	0.2
187.25545	0.1
208.88016	0.1
289.07269	0.3
308.53833	0.1
355.51959	0.2
357.26031	0.4
369.59531	0.1
387.26938	0.3
389.28519	0.2
391.30502	0.2
405.28204	0.4
409.31271	0.3
417.22794	0.5
418.23947	0.2
423.29077	0.6
427.32327	0.9
428.32422	0.2
439.32108	0.6
457.33289	3.3
458.33325	0.3
471.31085	0.2
475.34384	3.5
476.34689	0.6
493.36279	0.1
501.32224	0.3
519.33643	1.0
579.27325	0.7
579.35437	17.7
580.35864	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	579.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.1
59.01262	85.7
60.01585	1.3
60.99186	2.7
61.98714	8.0
71.01246	1.1
71.56528	1.3
75.00747	5.7
78.95795	1.0
79.95631	0.9
81.03348	1.0
83.01257	1.4
85.02823	0.7
88.98698	2.1
89.02335	1.9
93.03337	0.6
95.04878	0.9
96.95896	2.8
97.02861	0.8
109.02850	2.4
119.08563	2.1
122.03635	0.9
123.00809	0.9
123.04391	2.4
123.08040	0.8
125.02365	12.4
125.77312	0.6
126.02656	1.3
135.04466	0.8
137.02365	6.6
146.03645	0.8
151.03958	4.3
161.02342	1.7
164.01160	1.0
165.01857	4.9
167.03456	1.4
168.00793	0.7
175.07587	2.3
177.01933	1.2
179.03419	1.1
203.07152	1.0
204.29173	0.7
259.20459	0.8
269.04407	0.7
289.07172	1.3
338.56680	0.7
341.10605	1.1
357.25897	1.3
359.23627	0.9
367.11938	0.9
373.24963	1.3
373.28854	3.3
375.26950	2.1
377.24878	1.7
379.29727	0.8
387.26859	1.2
391.30002	5.7
392.30444	0.9
393.27890	4.7
405.28116	1.7
407.29688	3.1
409.31223	12.0
410.31274	2.5
417.23099	1.8
423.29083	1.5
425.30835	1.2
427.32355	1.7
441.30225	5.5
453.30280	4.2
457.33337	14.7
458.33563	1.6
471.31155	4.3
483.30591	1.0
501.32422	1.9
519.33368	100.0
520.33661	15.3
579.26263	10.4
579.35535	17.3
580.26532	2.7
580.35626	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74994	0.3
57.03330	0.3
57.75107	0.3
59.01265	100.0
60.01608	1.2
61.98722	4.5
61.99023	0.5
71.01279	2.1
71.56578	0.4
72.99207	0.6
73.02838	0.8
75.00781	1.2
78.95767	0.3
85.02860	1.2
87.00761	0.5
88.98727	0.4
89.02355	1.3
96.05176	0.3
96.42868	0.3
96.95930	1.3
101.02364	1.0
108.02114	1.0
109.02855	0.9
113.02367	0.9
116.92841	0.3
117.01878	1.1
119.04948	0.7
120.99682	0.3
123.04485	0.5
125.02390	1.1
134.03687	0.4
135.02943	0.6
135.04440	1.5
137.02393	0.7
142.99442	0.3
146.29340	0.3
149.04501	0.6
151.00377	0.5
151.03999	0.5
152.01129	1.1
153.01923	0.6
161.04564	0.4
163.04002	0.8
165.01839	0.4
170.45650	0.3
177.01949	0.4
179.03674	0.3
195.02991	0.3
203.05640	0.3
207.05171	1.0
341.06726	0.5
341.27170	0.5
345.17035	0.5
357.26740	0.3
371.15195	1.1
389.87460	0.3
426.22513	0.4
499.19275	0.4
519.31964	3.3
535.31390	0.4
579.16498	0.5
579.26202	4.0
579.35840	11.6
580.26550	1.0
580.36224	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	580.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	15.6
59.13052	0.1
61.98710	1.0
70.70420	0.1
71.05405	0.2
71.05748	0.2
78.95789	8.9
79.95667	0.2
80.96396	0.4
96.95281	0.3
96.95909	5.1
96.96864	0.4
97.95840	0.3
98.95499	0.5
99.92452	0.4
115.91954	1.1
116.92770	1.2
118.41304	0.2
132.67607	0.2
150.97986	0.2
152.99522	2.4
168.04242	1.3
168.71152	0.2
171.00661	0.8
172.95421	0.2
178.88403	0.2
179.89166	1.4
180.89955	1.1
195.06560	0.1
196.89442	2.1
205.90700	0.3
224.06868	0.8
225.43753	0.2
235.91901	0.3
236.92648	1.0
242.08002	2.3
243.54424	0.1
260.19229	0.2
278.93832	0.3
281.24893	100.0
282.25250	8.9
282.28506	0.2
310.96387	0.2
473.14124	0.3
482.26367	0.2
506.32584	35.0
507.32916	4.5
521.28815	0.2
525.35004	0.2
533.15698	0.2
539.96802	0.2
545.16455	0.2
563.17474	0.3
580.28943	0.3
581.18311	3.9
594.20093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47314	0.5
55.28047	0.5
59.01264	21.6
61.98712	1.4
69.32999	3.2
69.33423	2.2
77.91434	0.6
78.95792	23.6
79.95622	0.8
80.96439	1.3
83.74500	0.6
96.95284	1.1
96.95909	18.5
96.96553	0.9
96.96841	1.0
98.19777	1.1
98.95470	0.7
110.17345	0.6
115.91981	2.0
116.92749	1.8
152.99506	4.5
164.98663	0.6
168.04256	4.3
170.91341	0.5
171.00520	0.9
179.89191	1.0
180.89946	1.2
196.89468	2.7
224.06966	8.7
235.91847	0.7
236.92595	1.3
242.08008	2.5
253.15880	0.6
255.23309	0.8
256.26599	0.6
256.29239	0.6
281.24902	100.0
282.25262	9.5
335.28018	0.6
343.01526	0.7
357.11066	0.6
424.68332	0.6
466.32590	0.6
483.27390	0.7
506.32605	71.4
507.33005	8.9
580.28882	1.9
581.18378	5.5
581.27411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76469	0.8
59.01256	4.0
70.54626	0.8
71.01273	1.7
72.99207	0.9
75.00751	1.4
89.02332	1.5
91.12333	0.8
98.19776	1.8
99.92475	6.9
101.02354	1.9
113.66805	0.8
116.92767	100.0
117.92770	5.6
119.04932	0.9
121.02806	0.7
125.02396	1.2
131.07930	0.9
149.02319	0.9
150.03220	1.3
151.00266	1.9
153.01862	1.9
163.03915	1.4
165.05540	2.1
178.99837	1.3
191.01959	0.7
195.06651	1.1
211.66251	0.7
217.97923	0.8
236.87854	0.8
245.31654	0.8
271.02618	3.2
287.02130	2.5
315.01633	0.9
316.02243	8.9
317.02985	2.1
354.28674	0.7
385.00031	0.8
463.08826	10.6
464.09268	1.7
473.18213	2.4
473.85123	0.8
496.36826	0.8
502.26279	1.0
545.00427	5.4
546.00177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
57.03334	7.6
58.00477	0.7
59.01260	11.8
61.98715	4.4
65.29807	0.4
68.99685	1.3
70.87268	0.4
70.87595	0.7
71.01266	11.5
72.99188	3.0
73.02837	1.4
75.00758	5.1
79.95625	1.3
80.96397	0.5
83.01273	2.3
84.02055	1.7
85.02838	71.6
86.03169	1.5
87.00763	1.9
89.02330	6.0
93.03359	0.8
95.01229	0.4
96.95912	3.4
99.00732	0.6
101.02345	2.5
103.00275	1.5
107.04928	0.5
108.02055	1.0
109.02869	1.0
111.00793	4.3
113.02367	1.1
115.00295	1.1
116.15295	0.4
116.17961	0.4
116.92716	0.7
117.01788	0.5
119.04934	1.1
120.99594	0.7
125.02350	1.0
129.01860	8.6
131.03487	0.4
133.01352	4.4
134.03650	1.3
135.02910	7.5
135.04443	1.5
137.02370	1.1
145.01309	0.6
147.02921	5.1
149.02209	0.4
149.06018	0.5
151.00316	0.7
151.03937	2.8
152.01102	1.4
153.01888	0.6
160.03976	0.4
160.05209	0.9
161.02451	0.6
163.03955	1.2
165.05553	0.6
172.05257	1.7
173.00906	2.4
173.05989	0.7
177.01819	0.6
178.02538	0.4
179.03343	0.9
179.05579	0.9
186.06841	0.5
187.03960	1.2
191.01939	36.3
192.02318	1.1
193.04967	1.4
194.05270	0.6
199.04095	0.6
200.04964	0.4
201.05603	0.6
202.06367	0.7
209.03009	100.0
210.03404	2.6
227.03531	1.7
228.04225	1.4
283.13464	10.8
284.13925	0.7
299.16574	0.8
300.02933	0.5
301.14621	3.0
309.14960	2.1
327.16034	2.5
329.13968	0.6
345.17139	6.6
346.17477	0.8
353.14014	0.6
371.14993	6.6
372.15112	0.6
372.33426	0.4
445.18726	3.0
463.19586	0.7
477.17258	0.6
477.31079	0.5
520.30450	1.3
521.32227	1.9
537.20929	0.6
537.29156	3.0
581.19495	3.9
581.28094	12.1
582.19232	0.7
582.28326	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96051	0.5
55.01761	1.4
57.03334	5.4
57.72641	0.5
58.00462	1.1
59.01263	32.9
61.66232	0.5
61.98717	9.9
65.00190	1.2
67.61642	0.6
69.03339	2.0
69.31183	4.0
69.31594	1.0
69.49019	0.5
71.01269	28.4
72.99212	2.4
73.02830	4.1
75.00410	0.4
75.00766	3.3
78.95795	1.0
79.95649	0.7
81.03343	1.6
83.01276	4.6
83.04932	0.6
84.02053	1.0
85.02841	42.6
86.77448	0.6
87.00771	2.3
89.02334	28.4
93.03355	21.3
94.03700	0.8
94.86053	0.5
95.01270	1.9
96.95908	3.5
97.02872	2.7
99.00793	1.8
101.02343	9.9
103.00273	0.7
107.01285	1.7
107.04923	1.7
108.02080	2.1
109.02867	1.4
111.00780	2.7
113.02357	6.1
114.00919	0.5
114.95252	0.5
116.92787	0.8
118.95022	0.5
119.03428	1.7
119.04900	1.3
121.02869	100.0
122.03204	4.0
123.04433	1.2
125.02355	13.9
125.80157	0.6
129.01874	2.9
131.03424	5.1
133.01349	1.2
133.02884	2.1
134.03677	9.7
135.02965	2.5
135.04445	1.7
136.01622	2.0
137.02376	30.0
138.02715	0.8
139.03917	1.6
143.03424	1.4
146.78970	0.5
147.02936	6.5
149.02437	0.9
149.04501	8.3
149.06020	2.5
149.99496	0.8
151.00293	5.4
151.03973	1.7
152.01057	0.6
152.99536	1.0
153.12759	0.8
160.01570	0.6
161.02351	1.1
161.04492	3.6
163.00337	0.8
163.03967	1.1
164.01204	0.5
165.01888	0.8
167.03384	0.7
168.00664	0.6
169.01419	1.0
171.13864	0.6
173.00909	1.1
173.04521	1.0
177.01920	1.6
178.02676	6.7
178.99831	2.5
179.03409	2.1
179.05592	0.9
183.10237	1.9
184.78720	0.6
188.04700	0.6
191.01938	17.7
191.05566	3.6
193.05043	11.9
197.06001	3.7
197.11807	1.4
199.07591	1.9
201.14949	1.6
209.03003	14.0
209.04890	0.9
211.13437	2.4
213.01755	0.5
213.81329	0.5
221.06731	0.5
225.11276	1.3
226.02721	0.5
227.03613	1.1
227.07132	25.9
228.07466	2.0
233.06725	1.8
243.03062	1.5
243.12431	1.5
255.03014	2.1
271.02557	7.0
281.06656	6.0
293.08838	15.8
294.09277	1.2
299.01834	2.8
300.02774	9.1
301.03583	11.6
309.14984	0.7
327.16116	1.1
345.17010	2.4
359.28024	3.2
361.03479	0.6
371.15091	2.3
377.03098	0.7
387.16666	2.0
393.02615	0.8
405.02628	1.9
413.11032	8.3
415.12543	13.4
416.12891	1.0
417.02487	1.6
433.01917	0.9
445.18881	2.5
447.09372	7.6
449.27621	0.9
463.19873	1.3
485.05435	0.8
521.33466	11.5
526.87201	0.6
537.29047	2.2
543.05811	1.3
549.19983	0.6
563.21729	1.5
571.05103	3.1
581.20203	1.7
581.29230	5.7
582.28314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33952	0.2
59.01262	100.0
60.01596	0.8
61.43534	0.3
69.39196	2.5
71.01288	0.4
74.15776	0.3
74.71304	0.2
78.91833	0.2
95.10966	0.3
99.92492	0.7
103.98745	0.3
116.92762	12.0
117.92796	0.9
121.02857	1.2
125.02335	0.3
147.04434	0.6
161.04466	0.6
190.06284	0.4
199.57793	0.3
219.00620	0.3
255.10431	0.4
269.08240	7.0
270.08527	0.6
271.09891	0.6
281.08206	0.9
283.09729	2.2
284.10233	0.3
295.09778	0.3
296.10596	0.3
298.12430	0.5
299.09338	4.7
300.09622	0.4
309.11481	0.3
310.12082	0.3
311.09317	7.0
312.09436	0.6
314.11652	10.1
315.11938	0.9
325.10913	1.1
326.11646	6.7
327.11884	0.6
329.13992	46.8
330.14270	4.2
341.13992	27.1
341.18472	0.3
342.14252	2.7
359.15076	1.2
389.16119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2255
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
52.65984	1.0
53.85203	1.0
55.01759	2.9
57.03327	1.8
58.00485	2.4
59.01264	44.1
61.98732	1.1
70.08170	1.0
70.11530	4.9
71.01270	32.1
72.99197	3.5
73.02834	3.9
75.00762	7.6
83.01275	5.3
85.02842	11.2
85.99964	2.3
87.00771	3.4
89.02334	16.4
93.03357	1.5
95.01279	3.1
96.95926	1.4
98.19868	1.2
99.00779	4.4
99.92459	1.1
101.02342	17.4
109.02838	2.8
111.00751	2.1
113.02355	8.1
115.00311	1.4
115.03935	1.7
116.92767	9.5
119.03397	8.1
121.02870	1.6
123.00819	8.8
123.04418	1.4
124.01598	3.2
125.02386	6.0
135.02919	14.6
135.04485	2.6
137.02374	2.4
138.03157	19.3
139.03937	2.9
143.03404	3.2
149.02386	1.8
150.03195	1.5
151.00336	3.1
151.03960	1.5
153.05515	13.6
157.74730	1.3
159.04536	1.6
161.04543	1.3
165.01817	1.8
165.05505	1.3
175.02452	2.0
175.03947	3.1
177.01872	1.7
178.99786	1.5
179.03339	1.3
187.03966	3.8
188.04781	1.4
189.05617	1.7
202.06345	4.4
203.07043	2.6
217.05086	1.4
219.06703	1.2
221.08199	3.0
223.06146	1.9
233.08153	9.6
239.10861	1.4
241.05154	1.8
255.06628	1.1
283.09753	1.4
293.04703	1.4
297.07858	1.1
299.09244	1.6
301.07068	1.1
309.07477	1.2
313.07181	2.8
313.10770	1.1
325.07230	1.5
326.07809	1.1
327.08759	2.8
327.12354	1.3
328.09625	1.8
329.14108	2.8
340.09610	2.9
341.10153	1.9
343.11942	2.0
344.09036	1.9
344.12659	3.8
355.12015	4.9
356.08853	1.9
357.13559	1.3
358.10687	8.5
359.11276	9.3
359.15021	8.1
371.11331	8.5
373.12939	14.2
374.13208	1.4
386.13718	2.6
389.12399	7.2
401.16046	3.6
404.14838	9.0
405.15494	4.0
411.27094	1.2
419.17389	28.6
420.17703	2.5
445.11447	1.5
463.12906	1.5
521.20374	21.5
522.20758	1.8
566.19910	3.6
581.22485	100.0
582.22925	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	581.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67105	1.2
51.31197	1.5
57.03338	2.4
58.00485	3.6
59.01263	92.1
61.98732	7.1
69.46780	9.5
71.01269	67.8
72.99207	6.6
73.02839	3.9
75.00761	3.6
83.01275	3.5
85.02837	17.0
87.00780	4.3
88.01984	1.2
89.02335	100.0
90.35989	1.4
95.01289	2.8
95.81762	1.3
96.95922	4.5
97.42221	1.2
99.00778	1.9
99.92525	3.0
101.02346	36.1
113.02352	26.3
115.00285	5.2
116.92764	17.1
117.92754	1.3
119.03410	39.4
124.07592	2.8
125.02380	4.4
129.01871	1.4
131.03429	6.8
133.01355	14.1
135.02922	4.3
135.04488	4.1
137.02365	1.4
143.03421	8.6
145.02866	2.0
147.02943	2.0
149.04506	4.1
151.00365	3.0
151.03949	4.9
155.88936	1.5
161.04475	12.1
179.03809	1.9
179.05569	34.6
191.01981	4.9
209.02922	1.6
210.29622	1.4
224.04855	2.0
255.10336	4.2
266.05859	1.6
269.11908	2.1
271.02634	1.6
279.05414	2.0
283.09827	24.5
283.12927	2.3
284.10159	2.3
287.14041	5.6
295.09860	4.0
296.10715	2.2
297.11298	1.3
298.12192	3.8
299.12683	1.4
300.02728	3.9
301.03528	4.1
310.08203	1.3
310.12003	1.9
311.09296	53.4
312.09665	4.3
325.10760	6.5
326.11621	42.1
327.12192	3.0
341.14005	62.1
342.14362	6.8
447.09756	3.0
521.33246	3.0
581.18158	2.3
581.27631	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	581.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81184	3.8
57.03313	4.4
59.01262	48.1
61.59541	3.4
61.98716	100.0
66.78244	4.2
71.01257	14.3
71.58165	5.7
75.00755	10.2
78.93233	4.1
80.75612	3.5
80.96424	4.1
85.02847	18.5
85.94391	3.9
89.02302	8.9
96.95910	24.8
101.02341	9.5
106.71297	3.8
125.02380	11.0
133.02901	6.7
135.02913	7.7
137.02364	10.4
149.02435	4.1
154.61113	4.2
161.02423	4.7
161.04446	5.3
178.02708	5.2
191.02090	5.1
209.11824	6.5
223.13550	4.4
233.11531	5.0
253.09349	23.7
291.19662	41.9
309.20743	65.7
389.88303	4.9
521.17755	6.0
530.61377	5.3
545.29022	5.5
581.27753	81.9
581.35876	5.7
582.27985	16.7
608.25861	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	581.2746
Annotation	Aralionine A
Peak:m/z	Relative Intensity
57.03331	9.3
59.01262	40.0
61.98712	85.4
69.03335	8.4
70.46101	30.4
71.01254	10.8
81.84986	9.0
85.02838	16.7
96.95895	23.2
135.02936	8.8
135.04439	14.6
136.17206	8.0
137.02361	11.7
144.35138	8.0
161.06036	7.8
179.03355	12.0
182.91933	7.7
197.11794	21.9
215.40149	9.1
250.04352	8.1
253.09254	23.9
309.20648	47.4
481.47256	8.7
483.04117	10.7
521.33972	13.3
559.19025	9.6
581.27484	100.0
582.27783	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37400	2.1
59.01257	26.0
60.35419	2.0
61.98712	53.0
69.72308	14.6
71.01263	5.3
72.52347	2.3
75.00751	3.3
85.02858	2.5
96.95899	13.7
101.02322	3.0
125.02360	2.3
137.02365	5.2
165.01901	2.8
195.13904	2.9
211.13434	2.5
253.09294	23.7
291.19724	22.0
309.20767	100.0
310.20969	8.3
409.16431	3.2
506.70898	2.5
537.29059	4.8
545.21729	5.0
545.29755	79.5
546.30310	15.6
581.27661	64.2
581.36816	3.1
582.27667	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	581.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01254	1.3
61.98712	1.7
67.95468	0.4
69.03341	0.9
70.15749	0.8
70.16149	0.8
72.98131	0.3
81.03338	0.5
83.01272	4.2
83.04948	0.4
93.03348	1.5
95.01288	1.0
95.04926	1.0
96.95921	1.9
97.02856	3.9
107.04915	1.1
108.02067	1.3
109.02859	8.5
109.06516	0.5
111.00788	0.4
121.02866	3.3
122.03658	6.4
123.00823	0.8
123.04447	8.8
123.08159	0.3
124.01572	1.0
125.02357	3.2
135.04453	4.0
137.02371	18.7
138.03017	1.2
139.03926	3.0
145.02896	0.7
146.03670	1.0
147.04448	0.8
149.02377	8.8
149.05963	1.0
150.03134	1.0
151.03938	11.5
152.04626	1.1
154.02673	1.1
159.04437	1.5
160.05186	0.3
161.02397	4.2
161.06041	4.8
162.03195	2.5
163.00305	8.4
163.03983	2.2
164.01099	4.9
165.01898	2.5
165.05515	2.2
165.09154	1.0
165.12791	0.9
174.03181	0.6
175.03975	1.7
176.01068	0.6
177.01883	3.2
177.05527	1.8
178.02696	2.7
179.03448	3.5
185.06067	0.5
187.03889	1.8
188.04677	0.5
189.05452	0.7
190.02760	0.4
191.03525	0.8
191.07181	0.4
197.06068	0.4
199.04034	0.4
201.05540	1.1
202.06332	1.2
203.03467	0.5
203.07143	2.8
204.04320	0.5
205.05051	6.4
213.05501	0.7
215.07132	4.2
217.05069	0.4
219.06540	0.5
220.03796	1.3
221.08211	1.0
229.04988	0.7
231.02931	1.2
231.06543	0.4
233.08107	0.4
243.06592	1.0
247.06114	4.4
248.06636	0.5
257.08148	1.2
265.14371	0.5
275.09161	0.7
275.16455	0.4
276.85895	0.4
277.17914	0.5
289.18219	0.6
289.21924	0.4
299.16510	0.7
301.07199	3.2
303.16061	0.7
317.17462	0.5
317.20981	0.6
327.16092	1.6
331.22736	1.8
333.20694	2.2
345.17175	2.9
347.14871	0.8
361.16675	6.8
362.17218	1.2
371.14984	2.0
389.16104	9.6
389.20947	0.7
390.16455	1.3
403.17804	1.0
429.22867	2.6
430.23303	0.5
459.23907	0.5
463.28326	0.4
512.20697	4.4
513.20697	0.7
519.27667	1.6
537.28662	3.3
538.29175	0.6
563.26660	1.9
581.27679	100.0
582.28015	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	581.2767
Annotation	Aralionine A
Peak:m/z	Relative Intensity
57.03335	0.7
59.01259	0.5
61.98714	1.5
69.03357	0.7
69.27443	0.9
69.27856	3.2
83.01273	4.2
93.03339	1.6
95.01266	0.8
95.04944	0.8
97.02848	4.0
98.19771	0.8
108.02057	1.3
109.02859	6.9
109.06458	0.6
119.04906	0.4
121.02875	2.7
122.03658	6.5
123.00790	0.8
123.04438	7.7
124.01577	0.9
125.02360	3.3
125.41462	0.4
133.02861	0.4
135.04456	3.0
136.05240	0.5
137.02373	17.4
138.03125	0.8
139.03917	2.8
145.02881	0.8
146.03661	1.1
147.04428	0.5
149.02367	7.3
149.05966	1.1
150.03152	0.7
151.03944	10.2
152.04720	0.8
154.02701	1.0
159.04446	1.4
161.02414	3.7
161.06035	3.4
162.03142	2.1
163.00325	6.9
163.03938	1.9
164.01080	4.6
165.01860	2.6
165.05511	1.4
165.09140	1.2
165.12775	0.6
173.05959	0.5
175.03972	1.7
175.07487	0.5
176.01131	1.1
177.01881	2.4
177.05466	1.4
177.61353	0.4
178.02711	2.5
179.03423	2.9
187.03923	1.2
188.04712	0.7
189.05435	0.7
191.03412	0.7
191.07158	0.4
197.30884	0.4
201.05551	1.2
202.06268	0.8
203.03445	0.7
203.07112	3.5
205.05034	6.9
205.08510	0.5
213.05576	0.9
214.05992	0.4
215.07127	3.2
216.14853	0.5
219.06583	0.7
220.03751	1.2
221.08211	1.7
229.05171	0.8
231.02919	1.3
233.08209	0.7
243.06549	0.8
245.08244	0.4
245.11868	0.5
247.06146	3.7
247.09727	0.6
257.08258	0.9
263.12958	0.7
275.09348	0.9
288.06262	0.5
293.21326	0.5
299.16595	0.5
301.07193	3.2
302.07993	0.4
315.19748	1.0
327.16159	1.3
331.22800	1.9
333.20810	2.1
343.15567	0.7
345.17178	2.3
347.14911	0.5
361.16669	6.1
362.17261	1.9
371.15048	1.0
375.21820	1.0
389.16147	10.1
390.16675	1.0
398.13770	0.5
403.17654	1.1
424.74750	0.5
429.22900	2.7
512.20593	5.5
513.20593	0.9
519.27679	1.6
522.05420	0.5
526.13983	0.5
537.28766	2.5
538.28906	0.8
563.26630	2.2
564.26910	0.7
581.27661	100.0
582.27979	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	581.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01241	0.5
61.30807	0.4
69.03334	0.8
79.42401	0.4
83.01261	4.2
93.03345	1.5
95.01299	0.6
95.04918	1.1
97.02845	2.9
97.05688	0.4
98.20571	1.1
107.04924	0.6
108.02069	1.8
109.02853	8.5
121.02885	2.6
122.03633	5.6
123.00832	0.7
123.04437	10.4
124.01585	0.6
125.02351	3.6
130.70377	0.4
135.04442	3.0
136.01579	0.6
136.05130	0.6
137.02365	15.6
138.03094	0.8
139.03925	2.9
145.02872	0.9
146.03705	0.8
147.04483	0.7
148.05188	0.5
149.02377	8.1
149.05983	1.0
150.03096	1.4
151.03957	8.3
152.04716	0.9
154.02632	0.9
159.04428	1.5
161.02391	3.9
161.06020	4.1
162.03166	2.6
163.00294	3.9
163.03984	2.1
164.01100	4.9
165.01888	4.2
165.05557	2.2
165.09151	0.9
165.12773	0.8
173.05959	0.9
175.03931	1.5
176.01053	0.5
177.01839	2.1
177.05553	2.1
178.02661	2.0
179.03476	2.4
187.03998	1.8
188.04683	0.8
189.05431	0.4
191.03494	0.6
191.06996	0.8
201.05466	1.3
202.06276	0.9
203.03481	0.7
203.07152	2.5
204.04202	0.5
205.05048	6.2
207.13718	0.7
213.05435	0.5
215.07146	2.5
220.03802	0.9
220.66844	0.4
221.08214	1.2
223.13452	1.3
226.06242	0.5
229.04860	0.8
231.02968	1.5
239.07152	0.5
243.06602	0.6
245.08012	0.5
247.06136	4.1
263.16693	0.4
301.07257	2.0
303.16269	0.7
315.19498	0.6
327.00192	0.5
327.16061	1.4
331.22720	1.1
333.20859	2.4
344.06384	0.5
345.17099	2.0
347.15286	0.7
361.16702	5.0
362.17258	0.8
371.15097	1.0
375.21878	0.7
389.16132	8.0
390.16748	0.7
403.17877	0.7
429.22833	3.4
430.23300	0.6
487.34384	1.0
512.20331	4.3
513.20544	0.8
515.95642	0.5
519.27515	1.3
537.28986	2.4
563.26593	1.9
581.27649	100.0
582.27991	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	581.2766
Annotation	Aralionine A
Peak:m/z	Relative Intensity
55.01767	0.4
57.03328	0.9
69.03326	0.9
70.03137	1.2
81.03323	0.4
83.01277	4.2
93.03344	1.4
95.01281	1.0
95.04906	1.0
97.02848	3.8
103.66024	0.4
107.04947	0.4
108.02040	1.3
109.02860	7.8
111.00759	0.7
121.02866	3.5
122.03651	7.0
123.00744	0.6
123.04453	7.4
124.01541	1.1
125.02364	3.8
125.97000	0.3
129.06848	0.3
131.04964	0.4
133.02866	0.6
135.04443	3.7
136.01598	0.5
136.05138	0.4
137.02368	19.0
137.27878	0.3
138.03061	0.8
139.03947	3.0
145.02901	0.7
146.03656	1.3
147.04411	0.8
149.01230	0.6
149.02380	8.4
149.06004	1.1
149.07848	0.5
150.03136	1.0
151.03946	10.0
152.04601	0.9
154.02611	1.1
159.04422	1.7
160.05196	0.6
161.02386	5.1
161.06010	3.0
162.03146	2.2
163.00299	6.6
163.03987	1.8
163.11174	0.4
164.01094	4.8
165.01872	5.0
165.05518	1.3
165.09152	1.0
165.12791	0.5
172.64706	0.3
173.06033	0.7
175.03938	1.5
175.07663	0.7
176.01094	0.5
176.04568	0.4
177.01886	2.8
177.05597	1.7
178.02696	2.3
179.03465	3.4
185.05913	0.4
187.03960	1.7
187.07541	0.5
188.04678	0.8
189.01907	1.0
189.05411	0.6
190.02657	0.8
191.03479	2.0
199.03986	0.4
201.05511	1.5
202.06287	1.0
203.03378	0.5
203.07127	2.8
204.04182	0.5
205.05040	6.2
206.05489	0.5
213.05452	0.9
215.07106	2.7
217.01346	0.6
219.02962	0.5
220.03831	1.0
221.08182	1.4
221.15289	0.4
229.05052	0.8
231.02937	1.4
243.06665	0.6
245.08333	0.5
247.06149	3.6
247.13301	0.4
255.06610	0.5
257.08340	0.5
275.09229	0.7
293.21292	0.5
301.07312	2.4
303.16342	0.7
315.19684	1.0
327.15921	1.1
331.22717	1.6
333.20688	1.8
333.24350	0.6
341.06656	1.5
345.17078	2.3
347.15042	1.0
361.16638	6.2
362.17197	1.3
371.15109	1.1
375.14728	0.6
375.21704	0.8
389.16119	9.8
390.16437	1.4
403.17471	0.8
419.24368	1.0
429.22922	2.8
459.24084	0.5
512.20752	3.9
513.20532	0.7
519.27515	1.4
537.28467	2.4
538.29681	0.6
563.26270	2.0
581.27643	100.0
582.28015	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	581.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.7
57.03322	3.8
59.01262	35.7
61.98709	3.8
66.11574	1.9
71.01264	50.9
71.44339	1.7
72.99171	4.6
73.02831	16.8
75.00766	17.5
83.01262	9.4
85.02830	20.4
87.00774	6.3
89.02332	16.5
95.01286	4.1
96.95914	14.6
99.00795	8.8
101.02340	29.7
101.49731	1.7
107.01332	3.8
109.02862	2.8
113.02348	18.8
115.00304	5.5
119.04917	2.7
121.02872	5.2
123.01017	1.8
125.02341	9.3
131.03410	3.0
135.02916	22.1
135.04480	2.2
137.02373	2.8
143.03419	5.4
149.04433	2.3
151.00302	6.8
159.02933	4.1
161.04523	15.3
163.03946	3.7
165.01868	6.1
169.01393	2.2
175.02428	11.0
178.99797	5.3
193.01352	4.0
389.21881	100.0
390.22336	9.1
406.18805	1.8
427.06949	2.2
500.09854	3.0
521.26147	41.3
522.26514	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	581.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.8
56.24616	0.7
57.03336	1.1
58.00474	0.8
59.01267	16.6
61.94990	0.7
61.98710	2.0
69.03352	1.4
70.43249	1.7
70.43648	1.3
71.01266	31.0
71.20627	0.6
72.99196	2.0
73.02832	10.1
75.00764	2.6
81.03350	0.9
83.01247	4.1
85.02842	11.4
87.00772	1.9
89.02338	13.9
91.43273	0.6
95.01279	1.4
96.95898	1.0
97.02850	1.6
99.00764	6.4
101.02347	20.5
109.02827	1.2
113.02351	10.1
115.03905	1.6
116.92725	0.7
119.03427	1.1
125.02381	4.6
129.01895	0.9
131.03389	1.7
134.03673	1.0
135.02914	2.0
137.02350	1.3
143.03415	1.7
147.11786	1.0
149.04469	2.5
151.00302	2.1
151.03842	1.0
155.04778	0.8
159.02893	2.0
161.02461	1.0
161.04504	6.8
165.01848	1.0
175.02429	0.7
178.99815	1.6
193.05023	2.2
195.06560	0.9
233.06651	2.7
293.08911	2.2
387.20261	0.8
389.21835	13.1
390.22089	1.2
419.13693	1.2
435.03363	1.2
521.26141	100.0
522.26538	13.4
581.09094	1.0
582.10168	1.1
599.48077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.0
61.98706	0.8
63.96122	0.9
69.03321	0.5
69.25026	3.5
71.01265	7.2
73.02835	1.3
78.98483	5.7
79.95620	8.7
80.96407	65.9
81.03368	0.5
85.02836	2.5
87.00775	2.4
88.98688	0.6
94.97984	15.8
95.01271	0.8
96.95913	1.3
97.02850	1.5
99.00742	0.5
100.52554	0.3
101.02361	3.3
106.98003	2.8
113.02345	0.5
122.97499	5.6
125.02345	3.1
127.03928	1.0
134.97505	4.8
136.99062	1.1
148.99072	6.1
152.98576	8.0
164.98573	14.0
167.00122	0.6
182.99692	2.7
206.99699	3.1
225.00746	20.3
226.01111	0.5
243.01846	2.3
281.24942	3.3
299.04523	2.9
317.05347	0.5
461.38699	0.4
469.33160	0.6
528.40106	0.4
553.31213	0.4
581.30096	100.0
582.30530	13.4
582.39709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18306	0.1
56.03590	0.1
59.01265	1.0
61.01683	0.2
61.98714	100.0
62.60689	0.1
62.89946	0.1
62.98410	0.1
63.72038	0.1
69.33894	0.1
69.94386	0.6
71.01297	0.1
78.95795	0.7
80.96397	0.4
81.95197	0.2
82.95985	0.9
82.96850	0.1
90.06260	0.1
93.33212	0.1
96.97550	0.1
101.65130	0.1
125.02374	0.1
137.02379	0.1
152.99533	0.4
154.98198	0.1
156.52859	0.2
279.23328	3.3
280.23672	3.5
281.24005	2.2
282.24246	1.4
400.12228	0.2
469.33368	0.1
485.32822	1.1
486.33548	0.3
504.31168	0.9
505.31622	0.5
506.31525	0.6
507.31845	2.1
508.31799	0.2
581.26868	2.3
582.28076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40034	0.6
55.01757	2.8
57.03336	7.1
57.77024	0.5
58.00480	1.1
59.01263	50.5
60.01577	0.7
61.45258	0.6
61.98706	2.8
68.95237	0.6
68.99680	0.6
69.03338	1.0
69.46666	0.5
71.01267	42.1
72.99184	2.6
73.02835	10.9
75.00755	2.6
75.02820	0.6
79.95590	0.9
83.01278	5.7
85.02838	32.6
85.99996	1.7
87.00765	30.8
89.02336	11.4
95.01259	3.5
96.95889	2.2
97.02872	0.9
98.19836	1.5
99.00774	4.8
101.02345	23.1
101.03011	1.1
109.02851	0.9
111.00774	4.4
111.04360	0.6
113.02358	12.5
113.09660	1.0
119.03403	2.8
119.04948	1.0
121.02911	0.7
123.07983	0.8
125.02341	1.5
127.11220	1.2
129.01839	4.0
131.03383	1.4
133.01398	0.7
133.02805	0.9
134.03661	10.0
135.02902	1.8
137.02357	4.3
137.09633	3.5
139.03984	0.8
139.11174	1.3
143.03442	1.0
147.02895	1.6
149.04637	0.6
149.06029	3.5
151.00266	0.7
152.01068	0.9
153.12784	1.3
155.10724	3.7
157.06650	0.6
157.12270	2.1
159.02914	5.5
159.04163	0.9
160.05154	0.8
161.04504	8.8
169.01439	0.8
169.12314	1.0
176.04689	0.7
178.02670	6.7
179.03348	1.2
179.05554	2.6
183.10201	2.3
187.03975	1.7
191.01958	6.7
191.05615	5.1
193.05045	21.4
194.05368	1.2
195.06560	0.8
201.14941	6.9
209.03035	9.1
225.11325	2.2
230.15211	3.0
243.12419	2.0
245.17572	0.9
255.02977	1.1
283.13513	1.2
299.16589	2.1
309.15033	1.8
327.16199	4.1
328.16525	0.8
332.57715	0.7
345.16992	5.3
359.28091	57.0
360.28372	5.3
361.29449	1.0
371.14999	2.3
387.16586	2.7
431.30200	5.4
435.03586	1.1
521.33398	100.0
522.33746	13.0
581.09393	0.7
581.21631	3.1
581.29694	5.4
582.09619	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	581.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	2.8
57.03342	10.5
59.01263	53.4
61.98711	14.3
68.99680	1.0
69.03336	1.4
69.21082	1.1
71.01267	35.8
71.58819	1.8
72.99203	4.1
73.02831	8.7
75.00763	14.9
81.03302	1.1
83.01283	8.6
84.02064	2.0
85.02843	46.8
86.03192	1.2
87.00773	16.2
88.98724	2.4
89.02333	14.5
93.03370	1.5
95.01281	2.1
96.95911	10.8
97.02810	1.3
99.00784	3.9
101.02341	22.6
107.04919	3.7
108.02086	1.6
109.02855	3.4
111.00776	4.8
113.02359	13.5
113.14600	1.1
115.00233	1.1
116.92752	1.5
117.01833	1.6
119.03406	3.5
119.04918	3.0
120.99553	1.6
121.02847	1.4
123.00741	1.3
123.04443	2.8
124.01585	2.1
125.02374	6.3
129.01884	6.4
131.03430	2.4
133.02908	2.9
134.03653	5.6
135.02925	29.0
135.04469	3.3
135.99077	1.2
137.02448	6.4
137.03342	1.1
137.09686	2.0
139.03882	1.1
145.02873	1.5
147.02924	5.9
149.99559	2.7
150.03188	2.2
151.00301	2.6
151.03902	1.9
153.01923	1.7
155.10724	2.5
159.02910	3.5
160.01591	1.6
161.04494	6.7
161.05846	1.3
163.03946	2.2
165.05478	1.1
168.00584	4.2
169.01392	2.3
172.05377	1.3
173.04523	1.9
177.01823	2.6
178.02666	2.8
179.03452	1.5
179.05519	2.1
187.03902	2.0
191.01938	13.4
191.05545	3.7
193.05043	4.5
197.06024	1.3
201.14931	5.1
209.03020	6.3
211.13350	2.1
212.62943	1.2
220.60887	1.2
223.08273	3.2
230.15240	2.0
241.01428	2.5
243.02939	1.1
257.00922	1.8
269.01160	1.3
283.13480	5.5
285.00464	8.5
299.02075	1.4
299.16653	1.7
300.02829	1.8
301.03592	2.1
301.14713	1.5
309.15024	7.2
317.17792	1.6
327.16006	8.3
331.64438	1.2
333.04059	1.4
343.15717	1.8
345.17065	6.6
353.14053	4.9
359.28079	35.0
360.28378	2.8
371.15131	3.0
375.27515	5.8
377.03171	1.9
389.02802	1.7
389.21793	3.2
406.03262	2.2
407.17252	1.5
431.29929	3.0
434.03049	8.7
435.03610	7.8
443.19043	1.8
445.13000	2.0
445.18732	22.2
446.19080	3.5
447.09518	1.2
463.19717	3.8
519.33856	1.2
521.33417	100.0
522.33850	15.3
560.71814	1.5
563.21533	1.8
581.09808	19.2
581.18469	4.1
581.27618	6.8
582.09723	2.7
582.23138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67217	0.4
53.03370	0.3
59.01264	22.7
61.98710	0.8
70.96680	0.9
71.01257	0.6
78.95792	21.4
78.98483	0.6
79.95610	1.2
80.96411	6.2
82.95982	0.7
94.97980	1.7
106.98036	0.4
109.27010	0.3
135.72900	0.4
148.99001	0.5
152.28065	0.4
152.98593	0.4
152.99559	3.3
164.98576	1.3
168.04265	3.1
182.59613	0.3
224.06937	9.4
225.00731	1.4
240.52707	0.4
242.08023	1.5
283.26471	100.0
284.26794	9.1
472.41519	0.4
508.34183	75.3
509.34521	11.3
523.31091	0.5
582.30438	10.0
583.30548	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	583.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73428	0.2
50.98521	0.3
51.04557	0.3
54.82670	0.3
56.76791	0.3
59.01254	0.8
59.18135	0.3
59.97143	0.2
60.71345	0.3
63.96111	0.9
69.03329	0.4
71.01262	7.6
73.02837	1.7
78.98478	6.5
79.95616	12.0
80.96403	72.9
81.03326	0.8
83.01263	0.3
85.02837	3.1
87.00768	3.7
91.03921	0.3
94.97974	17.4
96.95882	0.8
97.02837	1.3
98.20559	0.8
99.00749	0.5
101.02327	2.6
106.97992	3.6
115.34393	0.3
116.04470	0.3
122.97489	3.6
125.02359	2.4
125.13360	0.3
127.03894	0.9
134.97507	5.9
136.99060	1.6
139.73886	0.3
144.17427	0.3
146.97462	0.4
148.97957	0.4
148.99075	6.3
152.98566	6.8
160.94676	0.3
164.98570	13.2
165.12804	0.4
167.00117	0.7
179.36406	0.3
188.98547	0.5
190.02667	0.3
206.99692	3.1
225.00728	18.6
226.01112	0.5
273.65128	0.3
283.26498	2.4
291.19595	1.5
299.04416	3.5
309.20743	0.4
494.94153	0.3
583.31641	100.0
584.31909	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	584.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23992	0.2
58.37622	0.2
59.01262	1.5
61.98714	100.0
62.98396	0.2
71.01270	0.8
71.56561	0.2
72.19068	0.1
73.02833	0.3
78.95820	0.3
83.01260	0.3
85.02844	0.6
87.00773	0.2
89.02336	0.4
93.03374	0.2
96.95903	0.4
101.02361	0.7
109.02864	0.2
113.02380	0.2
121.02877	0.4
125.02364	0.7
126.02712	0.2
135.02939	0.4
135.04448	0.4
137.02338	0.2
151.00395	0.2
158.06024	0.2
161.02473	0.2
163.03931	0.2
165.05444	0.3
167.03377	0.2
178.99850	0.3
180.04173	0.2
195.06648	0.2
209.11798	0.2
243.02826	0.2
283.13675	0.2
301.03574	0.3
361.30215	0.2
433.73886	0.2
463.57507	0.2
477.30505	0.2
503.34213	0.8
523.34595	0.8
524.35529	0.6
583.29559	0.5
584.21613	0.2
584.30408	0.9
585.34167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92875	0.3
57.03332	1.1
57.15277	0.3
59.01264	14.2
60.01591	1.5
61.01678	1.8
61.98716	100.0
69.90010	0.3
71.01278	0.8
71.55939	0.5
74.02356	0.4
75.00756	0.4
83.01324	0.4
85.02873	0.4
87.11069	0.3
89.02344	0.3
89.40230	0.3
96.95928	1.8
101.02340	0.4
101.49398	0.4
109.02868	0.7
113.04113	0.3
119.04903	0.3
121.02909	0.5
121.35313	0.3
123.04494	0.5
125.02380	4.9
128.03461	0.9
134.03647	1.1
135.02939	0.9
135.04445	0.7
137.02399	1.2
137.38684	0.3
139.03958	0.4
143.04588	1.1
151.00291	0.5
151.03966	0.8
161.02388	0.9
163.03943	0.6
165.01927	0.3
167.03485	0.6
175.03917	0.5
177.01891	0.6
178.02667	0.7
178.99792	0.6
179.03444	0.5
193.05046	1.8
243.03006	0.4
254.07855	0.6
270.08612	0.6
271.08847	0.4
272.09018	1.2
300.09952	0.4
311.09396	0.4
312.09692	0.4
315.12054	0.9
316.12408	0.5
317.12714	0.7
327.12091	0.6
328.12469	0.4
329.13998	1.1
330.14362	3.0
331.14636	2.5
332.14774	2.1
341.14053	0.7
342.14423	1.4
343.14725	1.2
344.14841	0.9
390.16824	0.4
391.16687	0.4
530.53973	0.4
563.37964	0.3
584.27753	1.7
585.27747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03335	1.6
59.01262	13.2
69.87500	3.7
71.01263	1.6
72.99167	1.2
73.02842	9.5
83.01258	1.1
85.02850	2.0
95.01241	0.6
101.02347	1.7
104.80688	0.7
109.02869	1.0
117.03349	1.5
119.04943	18.4
120.05332	0.8
123.04462	0.8
125.02380	4.1
131.03416	13.0
133.02890	1.1
135.02919	1.6
135.04488	0.7
137.02396	0.9
138.20999	0.7
145.02861	5.1
149.04492	100.0
150.03175	0.9
150.04843	2.8
151.03990	0.9
153.09705	0.6
161.02356	1.5
161.05890	0.7
163.03951	38.2
164.04314	1.6
165.05539	1.3
167.35928	0.6
177.01929	0.9
195.06612	0.8
203.07047	0.9
289.07248	3.4
290.07611	0.6
295.08243	11.3
300.51572	0.7
301.92392	0.7
312.73810	0.6
423.10825	1.6
423.16418	0.9
449.08698	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	585.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96313	0.2
54.14032	0.2
55.87004	0.2
57.03375	0.2
59.01324	2.3
60.94001	0.2
61.98429	0.8
61.98775	12.4
71.01339	1.2
71.57961	0.5
72.99255	0.3
73.02875	0.3
73.82509	0.2
75.00819	0.3
78.95847	0.2
79.83580	0.2
83.01334	0.4
85.02913	0.7
86.15470	0.2
87.00834	0.4
89.02396	0.6
93.03404	0.4
96.95900	1.3
97.76270	0.2
101.02418	1.0
109.02900	0.3
113.02432	0.4
119.04967	0.3
121.02966	0.2
123.04456	0.4
125.02438	0.6
132.02193	0.8
135.02933	0.3
135.04434	1.5
137.02362	2.4
145.02950	0.5
147.04518	0.3
149.02470	0.4
149.06087	0.7
150.03227	0.6
151.04034	0.8
157.05086	0.6
160.01608	3.1
161.02399	0.8
161.04562	0.2
163.04012	0.4
165.01900	0.3
165.05458	0.5
167.07103	3.1
174.03342	0.3
175.03978	0.5
178.02675	0.2
178.99924	0.4
179.03571	0.5
179.05719	0.2
179.07175	0.6
180.08005	0.6
181.08783	0.5
187.03993	0.3
188.04947	0.3
191.07288	0.3
193.05090	0.5
193.08687	0.2
195.06641	0.5
200.04849	0.5
208.07437	0.5
209.08191	0.5
211.03983	0.5
212.04773	6.8
212.06792	0.4
213.05370	0.7
221.06129	0.2
221.08162	0.3
223.05998	0.4
223.07906	0.3
225.05437	0.4
225.09264	0.3
226.02740	0.6
226.06252	1.2
227.03542	1.4
228.04288	4.8
231.10269	2.2
239.03432	0.3
239.07230	0.7
240.04376	0.8
240.07739	0.3
241.05112	0.8
241.08740	0.7
243.10335	1.7
244.03691	0.2
251.07170	0.4
252.04347	0.5
253.05026	0.7
253.08728	0.3
255.03094	0.3
255.06561	0.3
255.10391	0.9
256.03815	10.5
256.11111	0.3
257.04202	0.7
259.09766	1.0
265.05322	0.3
266.05969	0.4
267.06650	2.5
268.07245	0.5
269.08218	3.5
269.62973	0.2
270.05560	0.5
270.08789	0.6
271.02441	0.3
271.09830	5.5
272.10309	0.5
279.06741	0.8
281.08307	0.8
282.09036	0.9
283.09802	2.2
284.07092	0.4
284.10342	0.2
285.07822	1.7
285.10684	0.3
286.08408	0.3
287.09308	2.7
288.09720	0.3
289.07202	0.2
297.07748	6.3
298.08334	1.1
299.09265	2.9
300.03046	0.3
301.03665	0.3
309.07690	1.0
310.08521	2.2
311.09305	15.0
312.09958	5.1
313.10657	0.6
314.08536	1.0
314.11603	1.0
315.08817	9.9
315.12119	0.5
316.09122	1.1
325.10867	1.7
326.11658	4.4
327.08807	14.7
327.12180	1.3
328.09076	1.5
329.10236	2.0
330.11136	28.2
331.11490	2.8
340.09610	0.7
341.10410	2.0
342.11136	4.3
343.11609	0.4
344.12640	2.2
345.13480	100.0
346.13818	11.1
356.12637	0.6
357.13501	31.2
358.13815	3.8
359.15057	5.6
360.15405	0.5
371.10504	0.4
371.15027	4.7
372.15213	0.5
375.14597	4.8
376.14929	0.5
389.16034	0.2
400.59634	0.3
408.78461	0.3
483.49677	0.2
524.35083	0.6
525.35681	0.6
555.22565	2.6
556.22937	0.3
585.23267	9.0
586.23578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64629	0.5
53.25850	0.6
57.03319	0.9
59.01271	1.0
66.47412	0.5
76.88167	0.6
77.61365	0.5
81.27888	0.5
111.08051	1.7
115.54855	0.5
121.37239	0.5
123.87929	0.5
125.09609	1.3
127.11184	1.3
140.46745	0.5
151.11183	1.3
153.12776	3.2
153.61819	0.6
155.10667	0.9
156.11620	0.6
163.11131	0.5
165.12746	1.3
167.10724	0.9
169.12334	0.8
177.12666	0.7
179.14413	2.0
179.36584	0.7
181.12318	2.7
195.13853	2.7
197.11836	1.5
205.12483	0.7
207.13852	1.3
211.13472	0.6
215.12854	1.2
223.13432	2.5
227.12889	1.1
228.13655	0.8
229.69740	0.7
243.78156	0.5
246.45392	0.6
247.20668	3.4
273.18671	2.1
275.20291	1.0
291.19733	25.3
292.20041	2.7
293.21304	33.5
294.21490	2.7
309.20776	100.0
310.21161	10.1
390.91299	0.6
475.34198	1.2
567.40607	7.2
568.40723	1.4
585.41748	4.7
586.41681	1.0
591.91296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.2
59.01262	9.8
61.98713	0.8
66.39297	0.2
67.18183	0.2
70.73710	0.4
70.74036	0.2
71.01273	2.5
72.99202	0.4
73.02843	0.5
78.95772	0.4
81.22077	0.2
83.01260	0.3
84.00249	0.2
85.02845	0.9
87.00752	0.4
88.98618	0.2
89.02322	2.7
96.95884	0.6
97.02786	0.2
97.06484	0.4
101.02340	3.5
113.02358	1.6
113.06056	0.3
116.69611	0.2
119.03409	0.7
122.64523	0.2
123.13852	0.2
125.02372	0.8
125.05973	0.5
135.02861	0.3
148.08847	0.8
149.09592	0.3
150.10403	0.6
151.11191	0.3
161.04518	1.6
163.11180	0.7
165.12799	12.0
166.13104	0.4
171.10135	0.5
175.11255	0.6
176.11974	0.4
177.12672	0.3
179.05556	0.4
197.11839	0.3
209.23624	0.2
217.15965	0.6
228.01898	0.2
235.08171	0.4
247.20697	6.7
248.20955	0.5
253.09320	15.5
254.09726	0.5
273.18622	4.3
291.19717	100.0
292.20068	8.7
295.10364	0.3
300.65872	0.2
332.03452	0.2
497.82828	0.2
527.28418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1578
Annotation	Cassiaoccidentalin C
Peak:m/z	Relative Intensity
57.42780	0.4
59.01270	3.6
61.98697	0.5
63.02272	1.9
65.00214	4.0
65.03828	0.6
68.99691	1.8
70.91202	0.9
71.01263	1.8
73.02856	0.5
76.67257	0.5
81.90750	0.4
82.95293	1.0
83.01276	3.7
85.02835	0.9
85.91674	0.4
88.98688	0.7
89.02348	0.8
93.03340	1.3
93.82909	0.5
95.01270	1.0
97.02833	0.5
101.02328	0.8
105.03384	0.5
107.01299	7.0
109.02843	0.8
117.03458	0.5
118.09913	0.5
119.04913	0.6
120.00425	0.5
121.02860	2.0
123.00790	0.8
124.01581	1.4
125.02362	4.7
134.03625	1.1
135.04457	0.9
137.02383	6.7
145.06644	0.5
149.02347	1.1
149.04395	0.6
151.00310	24.9
152.01105	6.9
153.01663	0.5
159.04416	0.9
161.02379	2.1
161.05991	1.1
163.00287	1.1
164.66946	0.5
165.01878	2.1
165.05568	1.0
169.01369	2.1
173.02290	0.6
173.06009	0.5
174.03151	1.5
175.07544	0.6
177.01852	0.9
178.98224	1.0
178.99821	19.1
179.03424	2.6
180.00061	0.6
180.23248	0.5
185.02519	0.7
185.06061	1.0
187.04036	0.6
187.07529	0.5
189.01866	1.1
189.05499	1.1
190.99771	0.7
191.03441	0.7
192.00592	2.0
193.01396	24.5
193.08624	1.0
194.01657	1.1
197.06030	0.7
203.03455	1.2
203.07123	2.0
205.01459	2.9
206.02077	0.9
207.02928	4.4
208.00098	1.9
209.08134	0.9
211.03838	0.9
212.04727	0.6
213.05557	0.8
215.03586	0.7
215.74150	0.4
217.01401	0.8
217.05057	1.5
217.08566	0.8
221.08157	4.3
222.08707	0.6
223.04115	0.5
224.04784	0.7
224.07709	0.5
225.05641	0.5
227.03496	0.7
229.05138	0.6
231.06609	1.9
233.00874	4.8
233.04483	0.7
234.01497	0.9
234.05388	0.9
235.02440	1.0
239.03590	0.6
240.04222	1.0
241.05081	0.7
243.02959	0.8
245.00926	0.8
245.08168	1.5
249.05359	0.8
249.07707	8.0
250.08199	0.7
251.07219	0.8
253.05022	1.4
253.08881	0.9
255.03149	0.7
256.03812	0.7
259.02536	2.8
261.07654	1.4
264.04245	0.7
265.08609	0.7
267.03018	1.6
268.03833	1.1
269.04544	0.9
269.08316	0.8
271.02673	1.0
272.03238	0.6
273.07690	1.5
278.06039	0.6
279.03214	0.5
279.06564	0.5
280.03934	1.0
281.04721	1.2
281.08112	1.1
282.05420	0.8
282.08881	0.6
283.02603	2.1
283.09885	0.8
284.03079	0.7
285.00662	1.3
285.07919	1.1
287.02072	1.0
293.04861	0.7
293.07974	1.1
295.02493	2.1
295.06177	1.4
295.09470	0.6
296.03418	0.8
297.04153	0.9
297.07660	2.1
298.01202	2.5
298.04645	1.2
299.01843	0.7
299.09201	0.9
308.03119	1.1
309.03989	2.5
309.07724	4.2
310.04776	1.0
311.02066	13.2
311.05389	0.7
311.09341	1.9
312.02844	2.8
312.99832	1.3
313.03482	1.3
313.07098	2.7
315.01590	1.0
315.08685	0.6
321.04214	0.8
321.07791	2.0
323.05637	1.2
324.02887	1.3
325.03406	1.8
325.07233	4.6
326.07837	1.7
327.05182	0.7
327.08728	2.3
328.02042	0.6
337.03497	2.1
337.07239	7.8
338.07883	1.0
339.01572	6.6
339.08560	4.2
340.02200	3.9
340.05994	1.9
341.06711	8.8
342.07220	1.3
343.04575	1.7
347.05643	0.9
349.07318	1.3
351.08865	2.2
353.02789	1.1
353.06720	10.3
353.10446	0.9
354.07150	1.3
355.08365	11.8
356.08685	0.8
357.09827	0.9
364.02588	1.2
365.06723	9.2
366.07590	2.6
367.00854	1.7
367.04727	0.7
367.08414	3.2
368.01718	5.1
368.05551	2.1
369.05933	2.7
369.10074	3.5
370.10443	0.8
371.04074	2.0
371.11398	1.4
372.08432	0.7
373.09302	1.9
379.08084	1.0
381.05762	3.5
382.06641	1.1
383.07776	11.6
384.08511	5.2
385.09348	1.1
393.06238	14.3
394.06662	2.4
396.08002	0.6
397.09399	8.8
398.09821	1.0
399.03326	5.2
399.06812	0.6
399.11542	0.7
400.07971	1.6
410.06747	0.6
411.07251	8.0
412.07507	0.8
413.08661	2.2
414.09363	0.6
415.10361	1.6
425.08878	53.5
426.09247	6.2
439.08945	4.7
442.09030	2.1
443.09808	4.9
481.73782	0.6
487.12695	3.1
501.14093	0.9
519.15070	0.9
529.13763	0.8
531.15131	4.1
543.15631	0.8
546.11914	1.4
547.14923	2.6
548.15631	0.7
557.13055	2.6
561.16272	0.9
571.14746	1.0
589.15735	100.0
590.16071	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49890	0.5
53.88088	0.4
54.43122	0.4
59.01262	27.3
61.98716	1.7
62.98142	0.5
63.02277	1.3
65.00206	1.4
69.81139	0.5
70.28943	1.7
71.01262	2.1
73.02824	1.0
75.00748	0.6
83.01273	1.8
85.02849	0.7
87.00731	0.8
89.02341	1.7
95.01255	0.9
96.95888	1.9
97.02814	0.5
98.02347	0.5
101.02331	1.3
107.01289	3.4
109.02856	0.9
113.02341	1.3
115.03918	3.6
119.04939	0.7
121.02872	0.6
123.00765	0.8
124.01575	4.0
125.02367	2.4
133.25606	0.5
135.00862	0.5
135.02902	0.9
135.04413	1.2
137.02319	1.4
145.67451	0.5
149.04480	0.7
151.00308	7.8
152.01094	8.6
153.01707	0.5
159.02899	0.5
161.02367	0.8
161.04480	0.8
163.00291	0.8
163.03960	0.8
165.01831	0.6
169.01407	1.4
171.10136	0.6
176.01079	0.6
177.01880	1.1
177.42441	0.5
178.99812	5.2
179.03403	1.1
188.04796	0.6
192.00620	1.6
193.01242	0.7
199.04018	0.9
200.04843	0.7
203.03403	0.9
205.01292	0.7
211.03928	1.4
217.08710	1.4
217.38193	0.5
220.96939	0.5
227.03488	5.3
228.04237	1.1
239.03491	5.9
241.05028	0.5
247.02429	3.3
255.02968	1.6
256.03793	26.8
257.04108	2.8
265.14523	1.1
267.02960	0.6
267.06799	0.5
267.98059	0.4
269.04611	3.0
269.08142	0.5
271.02469	0.9
271.06253	1.1
279.06635	0.5
282.01834	0.8
283.02649	0.7
283.09784	0.8
284.06915	2.8
293.08322	0.7
295.02521	14.0
295.05948	0.5
296.02841	1.4
297.04047	2.4
297.07709	2.3
298.04663	0.6
299.05493	1.1
301.03467	2.6
309.04041	1.6
311.09323	6.7
315.01529	0.6
316.02142	0.9
317.02896	0.7
323.05667	0.7
325.10947	0.7
326.04407	2.0
327.05167	18.0
328.05597	1.4
329.06577	1.2
337.07275	0.9
338.07858	1.1
339.08762	7.2
340.09357	0.7
340.23965	0.5
341.06693	4.3
342.07193	0.6
353.10269	0.7
355.08261	2.8
367.08432	2.6
369.10071	0.7
370.10632	10.7
371.11087	1.4
383.07794	0.7
398.10159	1.2
411.07278	6.0
412.07486	0.6
423.29050	0.5
442.09134	6.6
443.09811	7.0
444.10135	0.6
463.08768	0.9
469.29810	0.9
473.11029	0.8
483.31372	0.8
487.30896	1.2
499.31049	2.4
521.45422	0.5
589.15692	100.0
590.16034	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	589.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84669	0.3
59.00990	0.8
59.01262	8.6
61.98714	3.3
68.99693	0.6
69.40433	3.6
70.47909	0.4
71.01277	1.6
72.99190	1.2
75.00757	17.2
87.00774	0.8
89.02322	2.5
96.95901	0.5
96.99239	0.6
99.00784	1.4
101.02332	0.5
109.02866	1.6
110.00024	0.4
113.09653	0.5
117.01863	1.1
117.03282	0.4
119.04939	0.7
121.02885	1.0
123.04427	0.6
132.02107	1.4
133.02879	31.1
134.03737	2.0
135.02919	42.4
135.04446	16.6
136.03267	1.3
136.04797	1.0
137.02357	3.7
139.03931	0.8
145.02921	1.0
147.04463	2.8
148.05220	0.6
149.02391	1.0
149.06003	2.0
151.03966	1.1
152.99696	0.4
161.02390	100.0
162.02745	5.2
163.03958	5.4
163.87872	0.4
171.10162	0.6
173.02379	0.9
173.05989	0.8
175.03963	1.6
177.05423	0.6
178.02667	1.1
179.03452	14.0
180.03818	0.7
181.12253	0.6
189.05568	0.5
191.03462	3.6
195.13870	0.4
211.13297	0.6
219.02983	17.6
220.03331	1.1
229.14426	0.5
231.02986	0.5
235.06024	2.4
237.04044	0.8
253.09320	1.8
261.04123	0.5
275.20197	0.7
279.05151	88.8
280.05475	5.5
291.19717	4.3
293.21268	7.4
294.21646	0.9
297.06229	5.9
309.20773	22.4
310.21146	2.8
367.58875	0.4
390.10962	0.4
427.24030	1.3
453.22910	0.7
471.23569	1.1
488.34653	0.5
529.24561	1.8
589.26263	4.0
590.27185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04667	0.2
68.96369	0.2
70.07301	1.1
72.99197	2.1
75.00762	100.0
76.01081	1.2
78.95810	0.5
96.68779	0.2
244.40366	0.2
277.21710	0.7
374.84659	0.2
397.08936	0.2
471.23767	0.4
489.73950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21423	0.7
57.62482	0.7
59.01262	12.9
59.02147	0.7
61.98706	2.2
69.03334	0.9
69.29649	5.9
69.30054	1.7
71.01275	4.3
73.02822	1.0
75.00745	2.0
87.00764	0.7
89.02331	4.4
101.02332	4.6
111.08796	0.7
113.02329	2.4
116.54682	0.7
119.03441	0.8
135.02927	3.5
135.04433	1.9
155.53105	0.9
161.04503	2.2
186.94478	0.7
195.13841	7.9
223.13402	6.4
246.77184	0.7
253.09319	35.1
254.09566	1.7
256.13290	0.8
275.20285	5.7
293.21283	100.0
294.21637	9.1
427.23935	1.0
492.22284	0.8
493.22507	0.9
529.30280	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	590.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85440	0.1
59.01263	0.7
61.98717	100.0
62.98449	0.2
69.12457	0.1
69.12870	0.1
71.01284	0.3
71.57553	0.1
71.57924	0.1
75.00769	0.3
78.95821	0.2
80.96428	0.2
83.71469	0.1
89.02334	0.2
96.95948	0.1
101.02338	0.2
113.02434	0.1
125.02374	0.2
131.03452	0.1
135.02963	0.4
152.99594	0.2
163.03973	0.2
165.12776	0.2
200.64546	0.1
204.40298	0.1
253.09431	0.2
254.09714	0.1
255.09711	0.1
291.19681	0.5
292.20093	1.0
293.20563	0.6
294.20737	0.4
311.23837	0.1
322.43726	0.1
341.23447	0.1
358.17761	0.1
410.24319	0.1
444.23709	0.2
454.23224	0.1
472.24689	0.1
590.33636	0.2
591.25073	0.4
591.33472	0.2
608.97473	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67850	2.2
57.03333	12.1
60.67473	2.4
71.55672	3.6
72.01257	2.6
81.03365	4.8
83.01270	7.0
84.05836	2.5
93.03368	5.8
97.02827	3.8
99.00774	4.8
109.02866	19.6
111.00765	18.8
112.89127	2.5
115.37524	2.6
119.04951	3.3
121.02869	7.0
123.00781	10.4
123.04438	10.0
124.01534	4.4
125.02366	98.8
125.62083	2.3
129.70869	3.0
133.02843	11.8
135.02876	4.9
135.04378	4.2
136.01518	2.6
137.02373	34.7
138.03130	10.8
139.00243	16.7
141.01863	14.6
147.04439	3.8
149.02412	13.1
150.03094	4.5
151.00288	14.3
151.03908	10.6
153.01888	13.5
159.04469	6.4
161.02390	35.6
162.03098	3.1
163.00278	16.7
163.03976	13.7
164.01009	10.2
165.01871	14.6
166.02591	8.7
167.03366	8.5
173.02356	3.0
173.06020	3.0
175.00337	4.6
175.03967	21.7
176.01129	3.8
177.01872	100.0
178.02216	2.9
178.99799	4.7
179.03461	5.1
185.02237	3.0
187.03954	9.7
188.04675	4.1
189.01945	5.2
189.05556	4.5
190.02658	3.9
191.03424	6.4
192.99709	3.7
193.01291	3.1
193.05103	4.1
199.03958	7.2
201.01857	6.8
201.05449	4.9
203.03461	14.4
205.05049	4.2
207.02939	2.6
213.05530	6.2
215.03453	4.4
217.01480	4.2
217.04993	9.9
219.03011	6.4
225.05644	2.7
227.03419	5.1
229.04933	3.6
231.02948	6.0
241.05013	7.0
243.03001	22.6
245.04527	8.1
245.08150	3.4
247.05847	2.9
255.03032	11.2
256.03839	5.2
257.04602	7.2
259.02481	19.5
259.06180	3.6
261.03989	9.6
269.04556	7.4
271.02441	6.4
272.03116	4.7
273.04059	6.4
283.02618	7.9
285.04068	15.0
287.02328	3.8
287.05637	11.9
289.03769	5.9
289.07272	8.7
295.01993	2.9
298.04285	2.7
299.05707	3.3
301.03558	10.3
302.03958	2.8
303.05045	32.8
304.05658	6.4
313.03476	4.2
325.03616	3.7
327.04895	6.2
329.06784	4.7
395.07755	3.2
407.07870	5.9
421.05606	21.5
422.06326	6.7
423.07324	21.0
425.08801	7.0
439.06857	40.5
440.07019	5.7
441.08023	8.0
465.08270	9.5
466.09238	3.1
591.11646	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	591.1732
Annotation	acacetin-8-C-neohesperidoside
Peak:m/z	Relative Intensity
51.67194	0.3
55.01747	0.4
57.03331	0.9
58.20437	0.3
59.01263	4.5
59.90092	0.3
61.98714	0.7
63.02271	1.6
65.00205	2.2
68.99691	0.4
69.35781	3.8
71.01273	4.0
73.02825	1.3
76.71664	0.4
83.01274	2.2
85.02838	1.6
87.00774	0.9
88.98685	1.3
89.02333	3.7
93.03355	0.5
95.01296	1.7
96.95908	0.6
99.00773	1.4
101.02325	2.7
107.01295	4.4
108.02054	0.9
109.02874	0.7
111.00777	0.9
113.02378	0.6
119.04929	0.5
119.30531	0.4
121.02840	0.7
123.00805	2.2
124.01597	3.4
125.02373	5.0
133.02843	0.6
135.00819	0.7
135.04430	1.8
136.01567	0.6
137.02362	2.9
139.00288	0.4
149.02396	3.6
149.04510	1.8
149.05675	0.3
151.00308	16.6
152.01099	7.7
152.02312	0.4
153.01814	0.5
161.02357	2.5
161.04547	0.9
161.06010	0.4
161.09694	0.5
163.00368	2.4
163.03928	1.7
164.01099	10.4
164.04758	1.8
165.01805	1.4
165.05362	0.5
167.03490	0.6
169.01367	2.0
169.04985	0.5
171.04359	0.4
173.02438	0.4
175.03995	0.6
177.01917	1.7
178.99817	18.2
179.03406	1.4
179.05598	0.5
179.07068	1.4
179.10719	0.8
180.00119	0.9
181.04993	0.5
189.01883	3.8
190.02647	1.7
190.99846	1.0
191.03473	0.8
191.07092	0.6
192.00616	4.0
193.01404	9.7
194.01822	0.6
194.76982	0.4
195.02954	0.4
199.04021	0.4
203.03513	1.9
203.07127	0.6
205.01390	6.4
206.02097	1.6
207.03008	0.7
208.03746	5.3
215.03343	1.0
215.07060	0.5
217.01437	1.6
218.02229	4.0
219.02988	2.7
221.01161	0.6
221.04694	0.5
221.11777	0.5
223.06131	13.5
223.09641	0.5
224.06381	1.2
227.03491	0.6
230.02158	0.5
231.02974	2.3
232.03667	0.7
233.00916	1.5
234.01682	0.8
243.03036	1.4
245.00938	4.4
246.01631	0.7
247.02530	1.9
255.02951	0.4
257.04593	2.0
259.02527	3.5
260.03201	0.5
263.09402	0.5
264.10001	0.6
268.03769	1.0
269.04715	0.5
270.01682	1.6
271.02625	2.5
272.03329	0.6
277.03534	1.4
283.06378	0.5
283.09598	0.6
287.02036	3.0
287.09296	0.4
288.02710	1.1
289.03644	0.9
289.07211	0.6
291.05099	1.5
295.02554	0.4
296.03354	0.4
297.07645	1.0
298.01218	0.9
299.01990	2.8
300.02505	0.6
301.03577	0.7
311.09268	1.6
313.07178	0.6
313.10858	0.5
314.00687	1.0
315.01489	1.4
315.08710	1.2
316.02176	1.0
316.05780	0.5
317.03113	0.6
327.05090	3.4
327.08588	0.6
328.05853	0.5
329.03284	0.7
329.10330	1.6
339.08731	1.0
341.06696	0.6
345.10031	0.6
346.28058	0.4
357.09839	1.2
359.11420	11.9
360.11850	1.6
367.08145	0.7
367.14099	0.7
369.19260	0.6
370.10565	2.9
371.11435	1.7
383.03680	0.4
383.07938	0.6
385.09561	0.8
388.11639	1.2
395.07599	0.6
399.11050	0.9
411.07211	1.1
413.09192	0.9
415.10403	4.2
416.10910	1.0
426.09692	0.8
427.10333	1.4
444.10678	4.3
445.11423	10.4
446.11636	1.2
503.31677	0.4
529.12555	0.5
531.24811	4.3
591.17297	100.0
592.17670	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	591.2492
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
53.09126	0.3
59.01260	1.7
61.98717	4.5
63.96115	1.1
69.03355	0.6
71.01271	6.7
71.15742	0.6
73.02845	1.9
75.00766	0.5
78.98481	4.8
79.95264	0.2
79.95625	10.7
80.96410	61.2
81.03352	1.0
83.01278	0.8
85.02849	2.4
87.00779	2.3
89.02338	0.3
94.97982	14.1
96.95897	1.8
97.02858	1.6
99.00764	0.5
101.02334	2.8
106.97985	2.9
111.08080	0.4
113.02363	0.4
122.97501	5.5
125.02376	3.1
126.02713	0.4
127.03923	1.0
134.97530	4.1
135.02858	0.4
136.99109	1.0
137.04292	0.3
143.03510	0.3
146.97534	0.4
148.99074	5.5
152.98573	7.5
152.99681	0.3
164.98581	10.4
167.00137	0.5
181.12370	0.3
182.99663	2.4
206.99693	2.8
225.00748	17.6
226.00998	0.7
243.01799	1.9
263.85071	0.3
291.19705	1.8
292.19778	0.3
299.04431	2.8
485.83221	0.3
583.77209	0.3
591.24939	100.0
592.25287	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	591.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
57.14899	0.4
59.01263	4.9
60.89189	0.4
61.98716	4.6
63.96110	1.2
67.14980	0.4
69.03355	0.7
69.54295	1.7
69.54725	2.2
71.01264	7.1
71.37226	0.4
72.99158	0.5
73.02837	1.8
73.50945	0.5
78.95779	0.4
78.98481	5.7
79.95621	13.0
80.96405	65.9
85.02829	3.5
86.66291	0.4
87.00765	7.6
88.98666	0.6
89.02364	0.6
94.97379	0.9
94.97979	14.4
96.95901	1.8
97.02855	1.7
99.04428	0.6
101.02322	2.9
106.97978	2.8
119.04914	0.6
119.28166	0.5
122.97507	3.3
125.02361	4.3
134.97498	5.2
135.02888	0.9
136.28952	0.4
136.99078	1.1
148.99054	4.7
152.98561	5.7
155.32954	0.4
164.98567	10.9
165.12817	1.2
172.65387	0.5
187.43315	0.5
206.99684	2.1
225.00732	18.1
226.00858	0.6
250.33696	0.6
291.19733	1.9
299.04459	3.5
361.50360	0.5
465.31088	0.5
487.32416	0.6
503.33472	0.7
505.33963	0.5
591.24890	100.0
592.25262	15.3
592.33691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2492
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
51.18481	0.2
53.03407	0.2
59.01259	0.8
60.99247	0.2
63.96124	1.1
69.03339	0.5
71.01263	5.1
71.11982	0.5
72.99181	0.2
73.02833	1.7
78.98030	0.4
78.98477	5.6
79.95621	9.3
80.96405	53.9
81.03349	0.8
83.01257	0.5
85.02836	2.3
87.00762	2.0
94.97981	12.9
95.01294	0.3
96.95908	0.9
97.02840	1.5
99.00772	0.6
101.02337	2.3
106.97983	3.0
113.02354	0.4
122.97489	5.2
125.02371	3.4
127.03906	0.9
134.88675	0.2
134.97501	3.6
136.99081	1.6
148.99072	5.3
152.98573	7.2
164.98575	10.1
165.12784	0.8
167.00104	0.3
179.00179	0.3
182.99666	1.8
206.99667	3.0
225.00745	19.3
226.01045	0.6
243.01756	1.9
245.01360	0.2
247.20642	0.4
273.18573	0.4
291.19656	1.6
299.04468	2.6
317.05310	0.4
415.46500	0.3
530.45465	0.2
591.24902	100.0
592.25238	17.0
592.32977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.4
61.98708	0.4
63.96125	0.9
67.53204	0.3
69.03346	0.8
69.38409	2.7
69.38812	0.5
71.01270	5.6
72.99213	0.4
73.02842	1.7
78.98479	4.6
79.95625	8.1
80.52721	0.3
80.96411	52.0
81.03369	0.4
85.02846	2.2
87.00768	2.3
94.18382	0.3
94.97983	13.0
96.95911	1.2
97.02861	1.6
99.00785	0.7
101.02345	2.7
106.97984	2.8
109.06406	0.3
122.97489	4.9
125.02369	3.0
127.03936	0.8
134.97507	5.0
136.99078	1.1
146.97566	0.5
148.99089	5.6
152.98576	7.2
163.03864	0.4
164.98575	10.1
165.12796	0.9
179.00217	0.5
182.99673	2.2
200.72351	0.4
206.99658	3.3
225.00752	20.0
226.01155	0.5
243.01822	2.4
249.42685	0.3
262.76520	0.4
291.19720	2.1
299.04477	3.4
309.20682	0.4
315.37149	0.3
317.05707	0.5
332.77463	0.3
581.60468	0.4
591.24933	100.0
592.25220	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2624
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.44164	0.4
53.16038	0.4
61.37325	0.4
70.48647	0.5
70.48991	1.4
78.76054	0.4
81.44343	0.4
86.66758	0.4
98.26584	0.4
102.08146	0.4
104.45235	0.4
160.23601	0.5
198.02599	0.5
328.79819	0.5
373.18045	0.4
443.22653	1.4
445.19714	1.0
445.25150	0.7
456.23114	0.9
457.20557	0.5
458.21173	0.8
459.22052	1.7
460.22403	0.7
471.21118	1.0
471.25833	1.9
472.22525	1.8
473.23285	0.8
476.90778	0.4
482.21194	1.4
485.19888	1.4
487.26031	2.8
487.31332	0.6
497.23587	3.8
498.23669	0.7
499.21530	2.7
500.22263	12.0
501.22504	1.7
504.21606	0.8
513.23029	0.6
514.24316	0.9
515.24622	100.0
516.24976	18.5
516.32806	0.9
518.23328	0.7
519.24152	0.5
547.27460	0.8
548.26654	0.5
559.23688	4.5
560.23999	1.1
591.27148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	3.0
59.01262	79.9
61.98709	2.2
64.73395	1.4
69.03345	2.7
71.01268	72.5
71.56002	1.6
72.01595	1.8
72.99185	5.0
73.02828	9.9
75.00779	2.2
78.32285	1.4
83.01279	4.8
85.02841	14.1
87.00760	5.1
88.98692	1.6
89.02335	82.5
95.01292	2.6
96.95897	6.6
97.02809	1.6
98.95531	1.5
99.00760	4.1
99.04417	1.5
100.06659	1.2
101.02341	68.6
107.01266	1.9
109.02769	1.2
112.87072	1.3
113.02351	27.5
119.03417	33.3
119.04871	2.3
122.05631	1.4
125.02370	14.3
131.03442	8.1
135.02838	3.0
135.04436	1.6
137.02318	5.1
143.03458	11.9
149.02370	2.4
149.04462	4.6
151.00343	6.3
153.01816	2.0
161.02359	2.8
161.04506	22.9
161.13258	1.5
163.03995	1.7
165.01851	1.3
177.01929	2.2
178.99791	3.6
179.05573	100.0
180.05937	2.4
187.11215	2.2
205.12250	3.8
205.92963	1.2
221.06662	28.8
229.12450	2.5
241.80611	1.6
242.02319	1.8
243.02869	1.6
249.11301	5.0
255.02922	2.0
271.02475	4.4
285.04132	1.7
288.54221	1.4
289.07425	2.8
291.12476	1.5
299.01962	5.5
300.02759	5.7
301.03488	9.3
323.10199	1.4
341.10852	3.4
367.15555	1.6
429.17639	6.2
430.18124	1.8
447.09354	9.5
524.60706	1.4
531.20959	2.4
547.27087	2.1
591.13293	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87125	0.9
50.89719	0.8
57.03329	2.7
59.01262	38.4
60.99189	1.8
61.98708	3.3
69.03342	2.3
70.70568	0.9
70.70916	3.0
71.01266	10.9
71.04918	1.3
72.99183	1.6
73.02830	7.3
83.01260	1.6
85.02840	4.3
88.98653	1.0
89.02329	3.5
95.04947	0.9
96.95911	2.0
101.02342	6.1
109.40097	0.9
113.02341	3.8
119.04933	2.6
121.02892	1.1
123.08080	1.4
125.02354	3.9
135.04436	2.3
135.08061	3.0
137.02354	1.4
149.02342	1.0
151.00291	2.7
152.01050	1.1
159.02870	1.0
161.04430	3.2
163.04008	2.9
166.02620	2.5
175.11169	1.4
177.01764	1.2
178.99884	1.1
179.03410	1.3
181.05017	2.4
183.11876	0.8
190.53369	1.0
192.32420	1.1
205.04965	1.6
205.12169	1.2
223.06000	2.1
296.02930	1.5
297.02875	1.2
301.03491	1.1
303.05344	1.0
357.22229	1.3
361.25494	1.5
373.25403	4.8
375.23206	6.3
375.27234	1.2
377.25339	2.0
385.25284	2.5
387.23529	2.2
391.26410	7.5
392.26657	1.2
393.24374	3.7
399.23911	3.3
401.25067	1.4
402.25714	2.2
403.21808	1.8
403.26535	20.3
404.27029	2.9
405.24503	4.3
407.25940	4.2
409.27512	4.7
413.08008	1.6
417.15665	2.7
417.24088	1.7
419.26074	6.4
420.26529	3.2
421.27609	19.7
422.28033	1.3
423.25388	3.5
435.25330	4.9
437.27048	13.3
438.27310	2.6
439.28555	10.8
441.26517	1.7
451.28574	1.6
453.26663	12.7
454.27173	1.9
457.29709	5.7
469.29529	1.1
471.27649	4.7
483.27603	32.0
484.27969	4.8
501.28665	100.0
502.28995	17.2
507.20847	1.4
531.29187	61.0
532.29761	10.6
547.27643	1.3
591.16278	9.8
592.16656	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	591.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45537	0.8
55.42449	0.7
57.03322	3.3
59.01262	100.0
61.98724	4.6
69.03333	1.9
70.88140	1.0
70.88486	1.7
71.01266	17.7
72.99173	1.3
73.02841	6.5
74.97652	0.8
75.00767	1.5
77.40485	0.7
78.95786	3.1
79.95609	0.8
82.95318	3.9
83.01273	3.6
83.02376	1.3
84.95006	1.2
85.02838	9.6
87.00752	1.8
88.98758	0.8
89.02345	5.8
95.01287	2.1
96.95918	1.4
97.02875	1.9
99.00755	3.2
101.02352	11.0
113.02355	11.5
115.03929	0.9
119.03410	1.2
121.10099	2.4
124.01492	0.9
125.02406	4.9
131.03415	1.1
135.02896	1.2
135.04433	0.8
137.02383	0.9
143.03421	4.6
149.04553	1.7
152.01103	0.8
152.99503	1.6
159.02924	1.0
161.04509	3.8
177.01871	1.1
178.99696	1.0
185.00877	1.0
185.15451	2.8
209.11798	2.3
311.06720	0.7
343.28540	2.3
439.30600	1.5
457.31729	1.4
487.32858	49.1
488.33142	6.1
505.33948	11.8
506.34161	1.9
531.28308	1.6
547.34772	3.2
589.31171	0.8
591.17694	1.1
591.26862	2.4
592.35437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.9
61.98716	100.0
71.01283	0.3
71.56553	0.1
78.98504	0.1
79.36626	0.1
79.95630	0.4
80.96410	2.1
80.96854	0.2
94.48956	0.1
94.97997	0.4
125.02406	0.3
147.10399	0.1
148.99132	0.2
152.98566	0.2
164.98611	0.3
178.99809	0.1
200.37045	0.1
209.11795	0.3
225.00829	0.5
229.19601	0.1
295.22092	0.2
309.20886	0.2
330.50656	0.1
337.79337	0.1
395.28165	0.4
460.43814	0.1
512.22656	0.1
592.24969	1.1
593.26288	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	592.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	29.0
61.98714	3.8
69.30080	4.7
71.01269	1.0
78.95792	14.2
79.95625	2.8
80.96416	8.2
85.02826	0.6
87.00737	0.6
94.97993	2.4
102.15883	0.5
111.08144	0.7
113.09612	0.6
114.64221	0.5
116.78690	0.4
122.97451	0.6
125.02351	1.2
152.85985	0.5
152.98486	0.7
152.99535	5.5
164.98605	0.7
167.10724	0.5
168.04262	3.0
179.14354	0.9
182.99710	0.4
195.13884	13.2
196.14450	1.8
205.12280	0.8
205.16011	0.8
211.13412	2.2
223.13400	9.2
223.15500	0.3
224.06921	1.7
224.13795	0.8
225.00740	2.6
228.13690	0.9
231.21133	0.9
242.07999	5.9
256.13242	1.4
265.21732	1.0
275.20230	6.7
293.21283	95.4
294.21622	7.3
300.02762	0.6
307.22861	1.5
312.02826	0.8
313.03577	0.9
362.20096	0.5
447.21597	3.2
484.89102	0.5
497.26959	0.5
518.28961	100.0
519.29358	11.7
532.30634	1.0
592.24603	1.2
592.33398	0.9
593.26208	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	593.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	12.4
70.09409	4.6
70.09803	4.9
75.41292	2.3
81.03343	3.8
83.01281	5.2
93.03370	2.8
95.04926	2.2
97.02875	6.1
109.02852	18.2
110.69097	2.0
121.02887	7.4
123.04441	12.9
123.05188	2.0
125.02370	100.0
126.02661	3.0
131.04950	2.2
137.02382	20.5
149.02383	12.4
151.03995	18.4
159.04431	3.5
161.02364	4.4
162.03140	2.8
164.01102	5.5
165.01884	4.5
167.03386	2.7
175.04018	11.4
175.07619	2.9
177.01892	98.2
178.02248	4.8
179.03419	5.1
179.70805	2.2
187.03999	6.1
188.04541	2.7
193.05066	2.0
193.40724	2.3
201.05595	3.2
203.07121	8.6
205.05075	6.0
214.02737	2.3
215.03377	2.4
229.05064	3.8
231.03145	3.0
243.03122	5.1
245.08147	11.7
255.02968	9.8
256.03793	6.4
257.04486	3.2
273.04135	3.2
278.25470	2.3
281.04584	3.6
285.04004	4.0
289.07245	59.1
290.07684	3.8
303.05139	8.5
305.06522	3.8
315.05038	2.5
339.08932	4.0
382.16461	2.3
390.63406	2.2
407.07791	63.3
408.08170	9.6
425.08920	33.2
426.09412	4.5
467.09735	8.1
593.13239	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	593.1316
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
51.29958	1.0
57.03338	11.5
59.01272	1.2
69.74229	3.9
69.74636	2.7
81.03372	2.4
82.41096	1.0
83.01299	3.0
93.03366	2.9
95.01286	2.1
95.04912	1.7
97.02879	3.4
107.04908	1.0
109.02858	16.2
111.00847	1.1
111.04401	1.1
121.02887	5.2
121.89250	0.9
123.00822	2.7
123.04446	10.6
124.01599	1.8
125.02367	100.0
126.02715	4.1
133.02853	2.5
135.02908	2.4
135.04439	1.9
137.02376	23.6
138.03166	1.4
139.03951	5.2
141.01903	1.5
147.04443	2.3
149.02397	6.6
150.02968	1.1
151.03966	9.0
159.04451	2.6
161.02390	10.9
161.05980	1.8
163.00264	1.4
163.03976	3.1
164.01146	4.0
165.01892	10.0
166.02678	1.3
167.03444	7.9
170.60260	1.0
175.03975	9.0
177.01900	58.8
178.02321	4.1
179.03479	5.8
186.29919	1.1
187.03972	5.7
188.04715	2.0
189.05502	1.2
191.03351	1.5
199.04082	1.4
201.05505	2.0
202.06325	1.1
203.03499	1.4
203.07149	4.9
205.01424	3.1
205.05025	4.4
211.04042	1.8
213.05556	1.4
215.03516	2.6
217.05028	1.9
219.02953	1.0
219.06549	2.3
221.04526	1.9
221.08296	1.2
227.03413	1.8
229.05121	4.4
243.02948	3.4
243.06650	1.1
245.04582	5.5
245.08211	6.3
254.31577	1.3
255.03029	11.6
256.03836	5.2
257.04602	3.4
261.03998	1.7
261.07675	1.5
269.04507	2.1
273.04163	6.0
281.04633	2.2
283.02548	5.0
285.04129	4.8
287.05658	4.2
289.07254	44.6
290.07590	3.3
297.04160	2.5
297.07706	1.1
299.05688	1.9
303.05145	7.7
305.06738	32.4
315.05182	2.6
339.08701	2.5
341.06976	1.3
386.08377	1.0
388.00308	1.0
407.07800	37.3
408.08078	4.7
423.01480	1.4
423.07233	29.1
423.12552	2.1
424.07529	2.4
425.08820	21.2
426.09396	1.6
441.08322	7.0
467.09924	13.1
468.10147	1.4
500.57834	1.1
575.12567	1.7
593.13007	12.0
594.13843	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	593.1524
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
65.00210	0.6
67.18424	0.3
69.24001	0.6
69.24409	3.0
83.01274	0.7
87.56155	0.4
91.01785	0.4
93.03349	1.3
107.01275	2.2
109.02883	0.8
112.05152	0.3
132.02087	0.5
135.00809	1.2
139.01408	0.3
139.80629	0.5
143.04950	0.7
151.00301	2.3
157.06540	0.6
159.04401	0.6
163.00316	2.6
164.01067	0.5
165.01869	0.4
167.04970	0.6
169.06560	0.5
171.04425	0.5
174.03195	0.3
178.99809	0.4
183.04472	0.8
185.06059	1.8
187.03981	2.4
189.05521	0.8
190.99835	0.4
197.06056	1.1
199.03978	0.8
211.03983	2.0
213.05569	1.5
214.02695	0.6
215.03503	0.5
227.03493	27.2
228.03893	1.7
229.05067	10.1
230.05371	0.7
239.03462	1.4
240.04315	0.7
240.96916	0.3
241.05147	1.7
243.03325	0.4
255.03009	46.6
256.03595	7.2
257.04599	7.1
258.04736	0.5
267.02991	1.2
282.53711	0.4
283.02646	0.5
284.03311	75.5
285.04065	96.8
286.04407	8.4
327.05145	1.2
593.15204	100.0
594.15570	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	593.1527
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
59.01254	0.5
63.02283	0.3
65.00222	0.5
66.88755	0.2
70.44077	0.3
70.44479	0.4
75.00758	0.4
83.01279	0.4
89.02299	0.2
93.03366	0.8
93.80857	0.2
95.01339	0.2
107.01312	0.5
109.02857	0.6
117.03378	0.5
121.02828	0.4
123.04420	0.4
125.02372	1.4
126.02617	0.2
133.03011	0.2
135.00768	0.4
135.02917	0.5
137.02364	0.5
143.04944	0.2
151.00261	1.0
153.01869	0.2
154.04146	0.4
155.04955	0.4
159.04433	0.6
163.00356	0.4
165.01839	0.4
167.05017	0.2
169.06541	0.7
171.04330	0.3
173.02362	0.2
177.01881	0.8
178.99817	0.2
179.03439	0.3
179.43320	0.2
183.04472	1.6
184.05214	0.2
185.06029	0.7
187.03955	0.6
195.04486	0.2
199.03941	0.3
201.05461	0.4
211.03961	1.2
213.05565	0.7
214.02713	0.5
215.03516	0.3
227.03496	2.4
229.05055	0.5
239.03517	0.4
241.05049	0.3
243.03076	0.5
255.03009	22.7
256.03400	2.2
257.04608	0.5
260.82629	0.2
269.04562	0.7
281.04599	0.4
283.02521	51.2
284.03046	6.9
285.04080	100.0
286.04425	8.1
289.07343	0.4
297.04144	0.8
298.04861	0.3
299.05728	0.3
305.06812	0.7
307.06253	0.5
309.04041	0.3
327.05136	3.5
328.05466	0.4
351.05197	0.3
367.02689	0.5
371.97095	0.2
387.07251	0.2
407.07428	0.2
423.07147	0.4
431.03864	0.4
431.09860	9.4
432.10052	1.2
446.08615	11.1
447.09360	20.7
448.09842	2.6
473.11014	0.5
533.31317	0.2
593.15204	32.6
594.15540	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	593.265
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03318	0.4
59.01260	0.8
63.96109	0.6
69.03346	0.6
70.69430	0.7
70.69804	0.5
71.01272	5.7
73.02832	1.6
78.98482	4.5
79.95625	33.5
80.96409	50.2
81.03371	0.5
83.01275	0.4
85.02839	2.0
87.00779	2.3
94.97989	11.4
96.95915	0.8
97.02853	1.0
99.00781	0.5
101.02335	2.4
106.97982	2.6
113.02356	0.5
116.37969	0.3
122.97492	4.5
125.02367	3.7
127.03904	0.6
134.97499	3.4
136.99062	1.3
143.03391	0.4
148.99077	4.3
152.98576	6.3
161.04529	0.7
163.00261	0.3
164.98590	10.0
179.00092	0.5
182.99706	1.9
187.24066	0.3
188.98611	0.5
195.13860	0.4
206.99664	3.0
225.00742	19.1
226.01068	0.7
241.00218	1.0
243.01894	1.9
293.21298	0.6
294.29028	0.3
299.04510	3.9
313.03568	0.8
315.03986	1.0
317.05548	0.5
371.06784	1.6
385.08136	1.2
399.09705	1.2
405.70056	0.3
413.11240	1.3
420.98819	0.3
427.13031	0.6
441.14853	0.4
449.99286	0.3
455.16147	2.4
481.17545	0.5
487.97485	0.3
495.19351	2.0
496.19550	0.4
523.18665	1.0
524.19928	0.5
593.26477	100.0
594.26855	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	593.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34187	0.3
59.01250	1.4
61.98718	1.9
63.27560	0.3
63.96114	0.6
68.83479	0.3
69.03324	0.3
71.01269	4.9
71.05754	1.0
73.02840	1.3
75.00712	0.4
75.12565	0.3
78.98485	4.6
79.95255	0.5
79.95621	31.7
80.96406	49.6
81.03342	0.6
82.95983	0.9
83.01254	0.4
85.02836	2.7
87.00763	2.3
93.97254	0.4
94.97982	11.1
96.95901	1.3
97.02853	1.4
101.02334	2.4
106.97984	2.2
109.13480	0.4
122.97492	3.0
125.02340	2.4
127.03907	0.5
134.97504	3.6
136.99042	1.9
148.99088	4.8
152.98564	5.1
157.20058	0.3
161.04486	1.2
164.98581	10.2
178.99901	0.7
195.13858	0.6
206.99704	3.2
215.38966	0.4
225.00731	13.0
226.00966	0.7
241.00250	2.6
293.21216	0.5
299.04550	2.6
315.03925	0.8
327.87769	0.4
341.05585	0.6
356.00870	0.4
371.06619	2.6
385.08136	1.0
394.78616	0.4
399.09698	1.6
413.11481	1.7
427.13132	0.4
441.14447	0.6
455.16043	2.4
481.17902	0.5
495.19171	2.4
523.18542	1.0
524.19080	1.1
593.26410	100.0
594.26709	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	593.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48231	0.3
50.65341	0.3
54.07648	0.3
59.01265	0.7
63.96127	0.9
69.03343	0.6
71.01271	5.6
71.33552	0.5
72.13435	0.4
73.02846	1.6
78.98475	3.7
79.95621	30.9
80.96405	50.3
81.03345	0.9
81.96355	0.3
83.01274	0.4
85.02838	2.4
87.00266	0.4
87.00751	2.2
94.97977	12.1
95.01257	0.3
96.95906	1.1
97.02869	1.4
98.33312	0.3
99.00758	0.4
101.02315	1.7
106.97987	2.4
113.02320	0.5
122.97485	4.1
123.31512	0.3
124.52364	0.3
125.02347	2.5
127.03922	0.7
134.97511	4.3
136.99081	1.7
141.51503	0.3
146.97499	0.4
148.99068	4.8
152.98563	5.4
161.04474	1.1
164.98575	9.3
167.00182	0.4
169.72894	0.3
179.00060	0.6
182.99632	1.8
188.98698	0.3
195.13857	0.5
206.99660	3.7
225.00732	17.8
226.01215	0.5
241.00250	1.3
243.01813	2.1
258.19016	0.3
258.68686	0.3
270.60782	0.3
293.21237	0.9
299.04440	3.7
315.03882	0.7
361.50433	0.3
371.06516	1.5
385.08075	0.6
390.15942	0.3
399.09775	1.6
413.11075	0.8
427.12946	0.7
441.14212	1.0
455.15976	2.0
456.16544	0.4
481.17657	0.8
495.19394	1.8
523.18494	0.8
524.19336	0.8
593.26453	100.0
594.26776	14.5
599.67853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
64.89310	0.4
66.64616	0.3
76.71008	0.4
78.95792	68.1
84.97440	0.4
94.86382	0.5
96.96858	14.1
114.39122	0.4
150.97942	1.2
152.99521	98.6
153.99870	0.9
171.00580	3.2
223.00139	11.0
241.01204	26.3
242.01588	0.7
259.02209	1.8
275.20102	1.0
277.21774	49.1
278.22128	4.7
300.02740	0.7
315.04892	15.4
315.08508	0.9
316.05234	0.5
333.05801	1.1
593.27423	100.0
594.27765	14.4
594.37262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
62.96299	0.6
67.29578	0.4
70.33698	1.8
74.38041	0.4
78.95792	69.3
96.96858	13.1
150.97986	0.9
152.99522	98.3
153.99881	1.5
171.00563	2.9
193.06650	0.4
223.00116	10.8
233.22809	0.6
241.01212	22.9
242.01680	0.9
245.88152	0.5
259.02246	1.7
259.20740	0.5
274.49585	0.4
277.21777	47.5
278.22079	5.0
315.01273	1.0
315.04922	15.1
316.05148	0.7
333.05948	1.0
346.15900	0.4
409.30588	0.5
421.12329	0.5
452.76834	0.4
593.27435	100.0
594.27728	16.7
594.37305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.3
61.98701	0.3
62.96280	0.6
69.44758	0.3
69.45063	2.9
71.01263	0.6
73.97489	0.3
75.61406	0.3
76.54594	0.3
78.95792	68.7
83.01254	0.4
83.04903	0.5
96.96863	14.6
98.20490	0.8
110.39663	0.3
111.03075	0.3
121.02848	1.0
125.47002	0.3
131.92621	0.3
134.98485	0.5
150.97963	0.7
151.00298	0.8
152.99525	59.7
153.99927	0.7
171.00609	0.8
171.10193	0.4
209.11841	1.2
223.00148	2.0
241.01210	32.2
242.01627	0.8
255.03093	0.4
259.02350	0.8
271.02380	0.4
275.20111	0.4
277.21777	50.9
278.22150	5.4
300.02771	4.7
301.03534	2.2
309.20633	0.5
315.01315	0.5
315.04977	9.7
368.39154	0.4
376.14532	0.3
413.21036	5.8
414.21729	0.4
431.22119	0.9
454.14844	0.4
593.27454	100.0
594.27795	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67154	0.5
53.72864	0.5
57.03323	2.0
58.44059	0.5
59.01262	40.3
60.99181	1.3
63.55106	0.5
65.00191	0.6
69.03334	2.6
71.01273	2.3
71.04896	0.8
71.52805	0.7
72.99210	0.7
73.02844	3.7
75.00763	5.5
89.02327	1.8
95.04909	0.9
96.95911	1.7
101.02296	0.9
107.01287	1.2
109.02885	0.7
117.03350	1.0
119.04935	4.0
119.08515	0.7
123.04417	0.7
125.02361	2.8
134.03665	8.2
135.02921	19.6
136.03297	0.6
137.02338	1.3
143.08595	1.1
147.08139	0.6
149.02382	0.7
149.06042	0.7
151.00339	2.9
152.01265	0.6
161.02350	0.9
163.03946	6.3
169.10310	0.6
171.11780	0.6
177.01878	1.2
178.99803	2.1
181.10127	1.3
183.11749	1.0
193.01453	0.9
193.05052	8.6
221.13202	0.6
255.03050	0.7
271.02417	1.1
281.06766	3.0
283.02588	1.0
285.04001	1.1
299.02130	0.8
303.75793	0.6
311.07748	2.2
351.21594	0.7
355.20648	1.0
367.02740	2.5
369.09964	0.6
369.22339	0.9
369.26184	3.9
371.23572	1.3
375.26599	0.6
383.23868	1.1
385.25323	0.8
387.10867	2.2
387.27206	4.1
388.27328	1.0
389.24881	1.9
393.28098	2.5
401.24826	2.7
403.22372	0.8
403.26828	1.0
405.28012	6.4
406.28256	1.1
407.25961	1.5
411.29126	1.9
419.25955	2.3
421.27585	0.7
423.29257	3.6
437.26883	3.3
440.05771	0.8
449.27359	1.2
451.25153	0.8
453.30536	1.3
455.28357	3.1
467.27951	4.2
469.29813	5.4
470.29825	1.0
471.31229	3.4
483.27890	0.8
485.29083	8.7
489.32104	1.6
503.30182	1.6
533.31287	100.0
534.31671	17.6
593.33258	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23017	0.2
57.03346	1.0
59.01263	34.7
60.01588	0.3
60.99191	1.0
61.98708	0.7
68.22303	0.2
69.03342	1.7
69.32192	0.4
69.32597	1.7
71.01260	0.9
71.04919	0.8
73.02837	2.5
75.00771	0.4
81.65986	0.2
84.87125	0.2
87.04387	0.5
95.04928	0.4
96.95918	0.3
97.02840	0.3
98.20502	0.5
101.02369	0.2
119.04887	0.3
119.08585	1.0
121.84637	0.2
124.04424	0.2
125.02396	0.6
135.04517	0.3
137.02350	0.4
143.08614	0.7
147.08089	0.6
149.09700	0.4
151.00288	0.3
161.02408	0.2
169.10184	0.6
171.11714	0.4
181.10211	0.6
183.11790	0.6
183.38025	0.2
187.11290	0.4
189.12740	0.5
194.96536	0.2
203.17249	0.3
215.14189	0.2
237.16771	0.3
246.04973	0.2
285.04214	0.5
301.03421	0.5
305.22885	0.8
314.00595	0.3
323.23956	0.3
341.24991	0.5
353.22629	1.2
355.20703	0.6
357.22342	0.3
359.24374	0.3
369.22098	0.6
369.25916	3.2
370.26379	0.6
371.23993	2.1
373.21609	0.4
375.27066	0.8
377.25034	0.7
383.23843	1.0
385.25327	0.8
387.22626	0.3
387.27048	5.2
388.27319	0.8
389.24899	1.9
390.25238	0.3
391.26819	0.4
393.27866	1.3
395.26184	0.4
401.24811	1.3
403.22668	0.8
403.26718	0.7
405.28079	6.0
406.14700	0.3
406.28262	0.9
407.25894	2.2
408.26343	0.3
411.29062	1.5
412.29135	0.4
415.22702	0.4
417.24280	0.3
419.26120	1.5
420.25989	0.5
421.27478	1.0
423.29019	3.5
424.29608	0.4
435.25397	0.4
437.26913	3.7
438.27264	0.4
439.28683	0.5
441.30273	0.8
443.28091	0.3
449.26987	0.8
451.25143	0.8
453.30368	2.3
455.28101	3.3
456.28680	0.5
467.28101	3.8
468.28409	0.5
469.29684	5.2
470.30081	0.7
471.31271	3.8
472.31421	0.4
483.27298	0.7
485.29138	7.5
486.29520	1.1
487.30798	0.3
489.32355	2.0
503.30240	1.3
533.31299	100.0
534.31635	13.6
593.15033	0.9
593.33276	2.2
594.33661	0.4
618.48749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42237	0.5
55.01766	1.1
57.03345	2.1
59.01264	100.0
60.01589	1.3
61.98714	10.4
69.03344	1.0
71.01272	13.5
72.99189	1.2
73.02834	4.2
78.95807	1.3
83.00876	0.5
83.01284	2.9
84.95013	2.1
85.02846	8.7
85.99999	0.8
86.02371	0.6
87.00788	1.8
88.98727	1.1
89.02331	3.8
95.01296	2.0
96.14182	0.5
96.95930	1.3
97.02847	1.4
98.19768	1.2
99.00800	2.2
99.04406	0.7
101.02351	8.2
109.02904	0.8
111.00792	0.8
113.02357	8.3
119.03442	0.6
119.04977	0.7
125.02364	5.6
135.02922	0.8
135.04494	0.8
137.02396	1.1
143.03442	4.3
150.09827	0.5
151.03940	1.0
161.04543	2.1
163.04010	1.2
167.03490	0.7
177.01917	1.0
179.10744	1.7
185.15610	0.6
189.12869	0.6
201.05544	0.6
229.65170	0.7
238.30640	0.5
271.02655	0.7
285.04056	0.9
289.07346	1.6
299.10913	0.5
299.26083	2.3
345.30197	7.1
387.31717	0.5
401.25241	1.0
441.31915	0.6
459.33444	0.5
489.34427	47.4
490.34750	8.0
497.17468	0.6
507.35501	15.8
508.36053	2.1
533.19122	0.6
533.31439	3.0
549.36627	3.8
580.88562	0.6
593.14856	0.9
593.30371	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	593.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63994	0.7
57.03326	3.2
58.43976	0.6
59.01263	100.0
60.01624	0.9
61.98719	11.3
65.93262	0.6
69.38371	1.2
69.38775	5.3
71.01268	14.8
72.99210	1.4
73.02838	3.5
74.98988	0.7
75.00771	1.5
78.95783	1.9
83.01278	4.0
84.95024	1.9
85.02845	10.3
87.00779	1.7
88.98730	0.8
89.02310	3.3
95.01287	2.0
96.95940	1.0
97.02860	1.3
99.00783	2.3
99.04462	1.2
101.02339	10.0
111.00795	1.0
113.02366	7.9
115.03896	1.2
125.02383	5.5
126.21030	0.7
135.04486	1.7
137.02368	1.4
143.03453	3.0
152.99530	0.8
161.04507	2.7
163.03900	0.9
167.03487	1.1
177.01854	1.5
179.10724	3.8
207.13791	0.8
255.03044	1.3
255.11443	1.3
289.07471	1.3
299.26025	2.3
345.30194	6.3
367.46359	0.7
401.25635	2.7
489.34427	44.3
490.34747	7.1
507.35464	13.0
508.36301	1.5
533.31799	1.5
549.36560	2.7
593.30127	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	593.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54802	0.6
55.01771	1.2
57.03333	2.7
59.01264	100.0
59.07437	0.6
60.01596	1.3
61.98719	17.5
69.03334	1.9
71.01269	18.9
71.04906	1.2
71.57661	1.3
72.99197	2.4
73.02834	4.4
75.00793	0.9
78.95818	2.1
79.95632	0.8
80.96413	1.3
83.01286	3.7
85.02844	10.4
85.99982	0.8
87.00790	2.1
88.00296	0.8
88.98724	2.3
89.02325	4.0
95.01302	2.2
96.95924	1.0
97.02889	2.0
99.00803	2.9
99.04469	1.0
99.30192	0.7
101.02346	9.8
109.02874	1.3
111.00803	0.9
112.01616	0.7
112.08642	0.6
113.02345	8.0
114.74387	0.7
119.03427	1.1
123.04481	1.2
123.08092	1.0
124.01543	0.9
124.47242	0.7
125.02362	6.7
135.02953	1.2
135.96999	0.7
137.02383	1.7
141.01732	0.8
142.03114	0.6
143.03462	2.6
151.03992	0.8
152.99564	1.0
153.09207	1.0
159.02888	0.8
161.02467	1.1
161.04510	2.1
165.01915	0.9
167.03452	1.7
177.01932	2.9
178.02654	0.7
179.10683	1.7
217.56578	0.8
275.20529	0.8
285.04114	0.8
289.07312	2.1
299.26108	1.3
345.30170	7.3
405.28189	1.6
411.29074	1.5
421.27414	0.8
423.29410	2.3
441.30872	2.7
489.34430	52.3
490.34720	7.7
503.30325	11.9
504.30807	2.5
507.35471	25.2
508.35596	4.2
533.31189	5.2
534.31348	0.8
542.26447	0.9
549.36487	6.5
550.36615	1.2
563.33496	1.0
593.32971	2.5
594.34698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.6
61.98714	100.0
64.83385	0.2
71.57098	0.4
74.59322	0.2
78.95354	0.2
78.95802	0.8
80.96374	0.3
100.60780	0.2
100.61443	0.2
137.32622	0.2
152.99529	0.4
208.92900	0.2
297.96964	0.2
446.37045	0.2
513.32416	0.9
595.32587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48509	0.3
57.03320	0.9
57.79027	0.3
59.01263	22.4
61.98719	1.8
69.36993	0.3
71.01266	1.1
71.58049	0.5
78.95792	10.3
78.98466	0.5
79.50756	0.3
79.95626	1.9
80.96397	3.9
82.95995	0.5
83.04923	0.3
87.00761	0.4
94.97979	0.9
96.96899	0.3
97.06460	0.4
101.02338	0.6
113.09649	2.1
113.93123	0.3
125.02388	0.9
149.02399	0.3
150.03107	0.3
152.98463	0.4
152.99512	3.0
164.98590	1.2
165.01888	0.5
167.03343	0.3
167.14389	0.3
168.04266	2.6
177.12828	0.6
179.03371	0.4
179.14369	1.1
181.12286	0.8
195.13879	22.0
196.14186	1.5
224.06953	1.3
225.00748	0.8
229.14449	0.7
242.07976	4.5
245.04617	0.3
251.23764	0.3
275.20044	0.3
277.21786	18.8
278.22125	1.8
295.22833	100.0
296.23190	8.8
360.85519	0.4
449.23276	1.5
473.21643	0.3
478.21774	0.3
520.30536	78.2
521.30859	11.7
534.30945	0.3
535.27087	0.7
569.80249	0.3
594.26569	8.3
595.25977	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	595.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19701	1.0
58.00467	1.5
59.01261	78.8
61.98706	6.5
65.03831	1.3
69.03323	4.1
70.90324	2.7
71.01265	33.9
72.01560	1.2
72.99189	3.4
73.02828	14.9
75.00753	2.4
81.03336	3.0
83.01257	4.8
85.02841	20.5
85.40755	0.9
87.00754	2.4
89.02328	22.8
90.96765	1.0
93.03352	85.8
94.03706	3.1
95.01273	4.7
96.95908	3.0
97.02828	6.6
99.00755	1.9
101.02338	33.8
103.03911	27.9
107.01338	1.1
107.04941	5.0
108.02059	4.3
113.02338	2.6
119.03415	12.8
121.02865	60.9
125.02356	29.8
127.03904	3.2
131.03365	1.6
135.32198	1.1
136.01567	4.6
137.02365	85.5
138.02719	2.5
143.03395	3.7
145.04987	5.5
149.02359	2.1
151.00282	1.5
151.03976	5.4
161.02376	1.2
163.03949	1.8
163.06056	27.7
164.06433	1.3
178.99825	1.1
179.03436	4.9
183.08067	1.1
191.01843	2.7
191.03450	1.0
193.34274	1.2
197.04411	1.4
197.06064	13.1
199.07596	4.6
205.07198	2.4
209.06067	1.1
209.11671	1.1
227.07124	100.0
228.07455	8.4
232.19638	1.0
247.08228	8.2
258.01593	1.1
264.22928	1.2
281.06714	3.1
289.09543	2.3
307.10397	19.9
308.10663	2.1
336.10468	2.4
336.60104	1.7
371.15067	3.4
372.15143	1.4
427.12473	36.7
428.12778	3.3
535.32593	1.6
559.14722	3.5
595.33936	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03327	1.2
58.00475	1.4
59.01264	34.5
61.98719	21.5
65.11130	0.4
68.48257	0.4
69.03345	2.1
70.59520	1.0
70.59889	0.9
71.01269	19.7
71.57477	0.4
72.99210	2.1
73.02837	7.9
75.00717	0.5
81.03348	1.5
83.01277	2.2
85.02845	10.2
87.00766	1.7
88.98698	1.9
89.02334	12.7
93.03338	0.7
95.01294	0.9
96.95914	2.5
97.02856	3.5
99.00773	0.8
101.02348	14.7
103.03911	13.4
109.02867	0.5
113.02335	1.5
115.03886	0.5
119.03416	6.4
119.04929	0.6
121.02872	100.0
122.03214	3.3
123.04426	1.3
125.02365	16.2
126.02683	0.7
127.03940	1.8
131.03471	0.5
135.04427	1.0
137.02386	0.7
143.03429	1.4
145.04996	2.9
147.02914	0.4
157.42134	0.4
159.30234	0.5
163.03986	1.0
163.06078	15.7
165.05530	0.5
179.03403	0.4
191.01952	1.2
205.07135	1.0
209.03008	1.0
223.04596	0.4
227.07147	8.4
247.08226	3.0
283.13260	0.8
288.19592	0.5
289.09375	0.9
300.02457	0.6
307.10413	14.1
308.10733	1.3
314.00549	1.0
345.17142	0.4
371.14819	2.0
372.14868	0.4
429.14166	6.5
430.14215	0.6
467.48782	0.5
535.33167	0.7
559.14423	2.4
595.25159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2901
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
56.24772	0.4
59.01263	0.6
71.35259	0.9
78.95795	66.3
80.91589	0.7
96.96862	12.2
110.31966	0.4
150.97969	0.8
152.99529	100.0
153.99919	1.9
171.00650	2.8
223.00131	11.3
236.90868	0.4
241.01228	27.3
242.01505	0.7
259.02249	1.6
261.22162	0.4
262.21680	0.4
279.23352	67.5
280.23709	6.5
315.01291	0.8
315.04944	15.0
333.05865	1.4
595.29022	97.5
596.29327	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	597.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38929	0.3
52.51849	0.3
59.01268	3.1
61.98719	4.8
67.62499	0.3
70.59999	0.3
71.01263	2.2
71.57735	0.6
72.62034	0.3
72.99199	0.7
73.02831	1.1
75.00749	0.5
79.95636	0.6
82.10100	0.3
83.01277	0.5
85.02855	1.2
87.00819	0.3
89.02338	1.2
91.01785	0.5
93.03357	4.1
95.01278	0.4
95.04940	0.7
95.95181	0.4
96.95919	2.4
99.00759	0.5
101.02348	1.9
108.02065	0.8
109.02860	8.5
113.02367	0.9
117.03375	1.2
119.04922	2.1
121.02899	0.6
122.03610	0.5
123.04438	10.5
125.02364	1.1
126.57297	0.3
129.01819	0.3
133.02863	1.3
134.03691	0.6
135.00780	0.5
135.02956	0.4
135.04466	0.6
137.02385	1.1
145.02890	6.2
147.04457	2.1
149.02365	0.8
150.03125	1.3
151.00369	0.5
151.03955	7.0
152.01083	0.8
153.01894	0.7
159.04457	1.0
161.02362	1.6
161.04465	0.5
162.03189	0.4
163.03934	1.4
165.01828	0.5
167.03444	0.5
175.03909	0.7
176.01128	0.6
177.01897	17.5
177.69057	0.3
178.02304	0.5
179.03442	0.9
187.03960	1.2
188.04744	0.4
189.01895	32.5
190.02661	6.6
191.03468	9.5
193.05043	0.5
197.06090	0.4
201.01996	0.6
203.03465	3.8
203.07034	0.4
204.03784	0.4
205.05048	0.4
216.00618	6.1
217.01410	28.4
217.14421	0.6
218.01909	2.5
219.02971	12.0
220.03377	0.7
227.07231	0.5
229.04997	0.6
231.03000	10.1
232.03537	1.3
233.04504	0.6
241.05090	2.5
245.08319	0.5
269.04596	1.0
271.06293	2.3
271.08829	0.4
278.74429	0.3
281.04562	1.5
283.06198	2.6
284.06537	0.4
289.07199	3.0
297.07806	1.7
311.05667	4.7
313.07104	0.3
323.05695	1.8
325.07281	0.7
341.06717	62.6
342.07065	5.8
357.12509	0.3
375.27075	0.4
375.73352	0.3
435.10916	100.0
436.11264	13.6
529.56500	0.4
537.32404	2.2
553.28748	0.5
597.16229	3.5
597.27637	7.4
598.16913	1.0
598.27582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42808	1.2
58.00468	2.1
59.01264	31.3
61.98713	17.9
69.03342	8.7
69.42556	10.7
71.01268	34.4
71.01669	1.9
72.99210	2.8
73.02828	5.5
75.00755	6.0
79.01800	1.4
81.03352	2.8
83.01287	2.3
85.02836	6.1
87.00776	2.4
89.02338	23.7
93.03361	1.4
95.01285	3.1
95.03603	1.1
96.95909	24.8
97.02856	11.1
98.20575	2.3
99.00758	6.4
101.02353	10.7
107.01277	2.4
108.02071	19.0
109.02870	16.2
113.02343	5.3
115.03915	3.5
121.02898	5.7
122.03163	1.3
123.00782	2.6
123.04430	2.1
125.02367	26.2
131.03409	2.9
135.00793	11.6
135.02898	2.3
135.04427	1.9
137.02374	2.6
143.03448	1.5
149.04514	3.3
151.00333	3.7
151.03995	2.9
152.01082	38.2
153.01883	18.1
161.04500	1.5
163.03989	1.7
165.01967	1.4
169.01291	1.7
171.10222	2.8
191.05560	2.1
192.31464	1.3
197.05971	2.2
209.11838	3.9
227.07158	1.5
233.06700	7.3
243.06624	14.1
244.06798	1.2
253.09290	4.3
289.17941	1.9
293.08820	15.8
307.19205	8.9
309.43546	1.2
314.00641	1.2
325.20349	6.2
341.06778	2.0
363.05286	1.6
393.06219	2.3
405.11926	3.5
429.10446	100.0
430.10815	9.5
435.11136	1.8
474.21603	1.3
487.10535	12.6
488.10849	2.0
537.16010	6.8
543.28131	11.3
559.14337	1.3
561.29205	4.1
565.80847	1.2
597.14130	2.6
597.27423	25.6
598.14948	1.8
598.27515	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	597.272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66471	1.5
57.03342	14.9
58.83698	1.6
59.01254	4.7
61.98697	7.1
62.78063	1.7
71.56088	3.2
75.00748	2.2
78.95786	2.2
81.03336	4.5
83.01282	11.5
93.03323	3.3
95.01282	3.3
95.04908	5.2
97.02833	5.4
98.52647	1.7
99.04411	1.9
108.02021	2.6
109.02846	5.3
121.02832	5.9
122.03619	6.2
123.04380	4.9
124.01520	2.3
125.02362	85.9
126.02699	2.7
135.02893	7.5
135.04416	6.2
136.05168	4.0
137.02370	43.7
138.02980	1.6
139.03920	3.8
146.03568	2.7
147.04436	1.8
149.02341	3.3
149.06010	3.8
150.03102	5.0
151.03876	5.1
159.04417	2.3
160.05171	1.9
161.02409	3.4
161.05945	2.3
162.03127	2.5
163.03944	2.8
164.01077	10.9
165.01880	41.4
166.02301	2.4
167.03453	9.4
175.03949	3.1
175.07530	7.6
176.04668	1.9
177.01820	2.3
179.03410	20.1
181.04988	3.9
187.03925	5.3
189.05466	1.7
193.76942	1.6
198.03108	3.3
199.03893	1.7
199.07246	1.7
201.05411	6.1
202.06424	1.6
203.03395	3.8
203.07034	3.6
204.04190	3.6
209.06102	1.7
211.03879	2.3
213.05626	3.8
215.07083	2.8
217.05069	1.9
227.03413	3.1
227.06972	3.1
240.07736	2.3
241.08722	3.1
242.09506	4.4
244.07343	3.0
244.11125	2.6
245.08128	1.9
252.07915	2.1
273.14911	6.4
285.14948	3.3
287.16464	5.5
288.06296	3.9
289.07269	9.8
289.10019	1.6
291.16025	3.3
313.14465	2.3
315.04758	1.8
315.15927	5.0
325.18024	2.5
331.15341	1.7
333.17126	3.1
344.16177	3.7
367.19101	3.7
369.16992	5.7
377.21069	2.8
381.20584	2.1
385.19995	3.2
395.22342	11.6
397.24051	1.8
399.21732	6.9
405.20477	2.7
409.20087	1.7
411.22064	3.2
413.23398	62.1
414.23627	9.5
423.21881	30.6
424.21783	5.5
431.24347	3.2
435.21695	2.5
441.22952	8.7
453.22705	11.0
459.23932	18.1
460.24426	1.9
469.18478	3.5
493.25916	2.5
495.23544	2.8
499.19611	2.6
517.26215	3.7
525.28735	1.9
535.27081	10.8
536.27325	2.4
553.28247	4.5
561.24554	8.1
573.47992	1.7
579.26172	35.8
580.26154	7.1
597.26996	100.0
598.27325	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	597.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	10.9
59.01254	0.8
61.98717	1.0
65.03842	0.6
67.01771	1.1
67.21227	0.6
68.99688	0.5
69.03333	2.7
69.26691	5.2
71.01253	1.9
72.02065	1.6
77.03847	1.5
79.01774	0.7
81.03349	4.0
83.01273	12.4
83.04918	0.8
93.03357	3.8
95.01291	1.2
95.04930	2.2
96.95914	4.1
97.02851	5.6
99.04430	2.5
107.04960	1.0
107.43070	0.5
109.02855	5.3
111.04443	0.8
120.82150	0.5
121.02869	8.6
122.03667	2.5
123.00839	0.9
123.04435	4.1
123.08084	1.1
124.01603	1.8
125.02366	84.3
126.02692	2.2
130.04192	0.7
133.02835	0.6
135.04457	0.7
137.02371	92.1
138.02739	2.4
139.03946	2.9
139.07605	0.5
141.09120	2.0
145.02805	0.7
146.03665	37.5
147.04268	2.2
149.02353	1.2
151.03964	2.4
156.05560	0.5
158.03674	1.2
159.04472	8.2
160.05240	8.5
161.02386	0.7
161.06044	2.9
162.03189	0.9
163.00362	0.9
163.04013	0.7
164.01117	5.4
165.01883	83.1
166.02267	3.5
167.03450	26.2
168.03758	1.4
172.05261	2.7
173.06046	5.5
174.03188	10.6
174.06810	7.3
175.03896	1.6
175.07463	1.3
176.04776	0.6
179.03473	5.0
185.06047	1.7
186.06853	3.3
187.03975	1.4
187.07590	1.1
188.04723	2.2
188.08319	1.0
196.05185	1.0
197.06094	1.5
199.07614	1.8
200.04768	0.7
200.08380	1.1
201.05556	1.3
202.06264	1.2
204.04311	4.0
209.05945	0.8
210.06712	0.8
211.03920	0.7
212.04715	1.0
213.05563	0.7
214.09879	0.9
223.07610	0.8
224.05009	0.7
225.05576	6.9
226.06290	2.8
227.07027	1.1
228.04236	0.8
229.05023	0.8
237.05788	0.8
238.06630	0.6
239.07187	2.4
240.07805	0.7
243.14014	1.9
245.11896	1.1
245.15459	1.3
252.07971	0.7
253.12714	0.7
255.13980	1.8
268.07416	5.9
268.22147	0.6
269.07950	1.0
269.11786	1.2
271.13452	63.3
272.13806	5.9
273.14990	0.6
281.08676	0.8
281.12170	0.9
283.13464	4.3
283.16727	0.9
285.15030	3.7
287.12985	1.6
288.06512	1.2
288.13687	1.1
289.14511	31.8
290.14783	3.5
297.14990	3.9
299.13016	3.3
300.13333	0.8
301.14499	6.7
303.16058	1.2
309.15027	2.1
313.14694	1.0
315.16055	1.2
316.12973	0.7
317.14017	11.4
318.14389	1.3
325.14554	1.1
325.18347	0.7
327.16080	2.0
329.13931	1.0
330.14703	0.8
331.15689	1.0
343.15433	0.8
351.16110	2.0
354.14908	0.7
355.15451	1.2
369.17084	1.7
371.14963	0.6
393.16986	1.7
411.17953	4.7
417.21967	0.7
423.21887	1.7
429.22800	5.8
430.23380	0.8
435.22031	1.2
437.20502	0.9
441.22946	10.0
442.23074	1.8
453.22668	3.3
455.17197	24.7
456.17520	3.0
459.24045	8.4
460.24097	0.8
471.23856	0.7
481.18521	0.9
535.27435	1.0
543.24066	0.6
553.28009	2.8
554.28058	0.9
561.24841	0.8
579.26111	11.3
580.26282	1.9
597.27155	100.0
598.27533	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02213	0.2
57.03317	0.2
59.01265	1.5
61.98710	1.4
69.41627	0.4
69.42035	1.6
71.01268	0.6
72.68643	0.2
72.99157	0.2
73.02823	0.2
75.00749	0.3
77.96063	0.2
79.95624	2.8
80.96402	0.3
85.02824	0.5
89.02319	0.4
90.00433	0.2
95.95142	1.4
96.95908	6.6
99.00790	0.3
101.02352	0.4
107.01324	0.3
109.02832	0.3
113.02387	0.2
119.04946	0.3
125.02345	0.5
129.61023	0.2
134.03760	0.3
135.02878	0.4
135.04436	0.5
137.02333	0.2
141.19981	0.2
151.00296	0.7
151.03970	0.3
161.02390	0.3
163.03963	0.4
165.01817	0.2
167.03375	0.2
169.01419	0.2
177.01941	0.3
178.99838	0.4
179.03395	0.3
189.01915	0.2
193.05061	0.5
217.01410	0.3
219.02919	0.3
241.05064	0.3
299.02017	0.2
317.10757	0.3
319.12231	1.8
341.06757	0.7
375.27408	0.4
409.17004	0.6
413.20093	0.5
423.18384	1.6
424.18927	0.4
435.10587	0.5
438.20865	0.3
453.23306	0.4
465.04507	0.4
537.21460	0.5
567.26770	2.3
568.26471	0.4
597.27496	100.0
598.27820	16.6
598.37775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02865	11.7
59.01260	1.3
61.98719	3.5
62.38574	0.6
65.73954	0.5
66.03380	1.7
69.40342	2.0
69.40760	3.9
70.02856	0.8
70.79848	0.7
71.01263	1.2
72.00790	1.3
72.97430	1.7
74.00579	0.5
74.02361	23.5
75.46507	0.5
80.06638	0.5
81.04456	1.5
82.02860	3.5
84.04441	1.2
85.02853	0.5
86.02367	11.4
86.06000	2.3
87.05529	4.9
95.02409	0.7
96.04426	0.9
96.95892	3.3
97.03958	3.7
99.05540	19.5
99.06203	1.0
100.00323	2.5
100.03931	0.5
101.07101	3.0
101.80190	0.5
102.05507	3.8
107.06095	0.6
109.02891	0.7
109.03980	4.1
109.07644	1.0
110.02430	0.6
111.05551	2.1
112.03970	2.3
113.03485	1.4
113.04225	1.0
123.04594	0.5
123.05573	2.0
124.03929	1.3
125.02393	2.9
125.03497	3.0
127.05088	3.5
128.03462	66.0
129.03790	1.4
135.02919	0.6
135.05579	6.1
137.02402	3.2
137.07159	1.5
138.02765	1.0
141.06653	3.7
143.04562	83.6
144.04878	1.8
145.06157	3.4
146.03552	0.8
146.04546	7.8
149.07126	0.9
153.06639	4.4
155.08154	1.1
160.00540	0.6
162.19679	0.5
165.01830	2.8
165.12772	0.9
166.09811	4.7
166.81197	0.5
167.04657	3.3
167.08202	5.0
169.06155	1.2
170.03267	1.5
171.04077	1.3
171.10191	3.2
179.04584	18.1
180.04974	1.0
181.06126	2.3
184.10902	1.5
185.05637	2.6
192.07697	2.8
197.05643	3.3
209.11842	2.1
210.08810	19.5
211.09077	1.0
211.13412	0.5
222.68069	0.6
228.09900	2.2
254.07851	52.0
255.08170	2.7
256.11401	1.9
272.08929	100.0
273.09238	5.4
291.19803	3.4
304.06299	1.1
325.18466	4.9
469.23962	3.6
580.27026	6.5
581.27740	0.8
598.28058	46.2
599.28430	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	598.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36344	0.7
58.02864	7.3
59.01266	4.1
61.98717	6.8
66.03347	0.8
71.01267	1.9
71.56322	1.4
71.56698	0.7
72.00792	1.9
72.99222	0.9
74.02359	15.5
75.00761	1.0
82.02866	2.6
83.01286	0.8
84.04456	1.0
85.02855	1.2
86.02364	5.8
86.06009	1.4
87.05531	3.6
88.03921	0.9
88.98695	2.4
90.00098	1.2
96.95916	5.5
97.02885	1.4
97.03997	1.4
99.04494	0.9
99.05541	13.5
101.02310	1.6
101.07105	1.7
102.05495	1.8
109.02877	1.7
109.03996	1.9
111.05537	1.2
112.03950	1.7
112.70808	0.7
113.03484	1.0
122.03653	0.9
123.04380	1.3
123.05582	1.0
125.02364	2.8
125.03379	1.3
126.01841	0.8
127.05047	1.8
128.03459	34.3
129.03705	1.0
135.02908	1.6
135.04529	1.0
135.05556	3.9
137.02373	2.5
137.07155	1.6
141.06647	2.7
143.04556	51.5
145.06107	1.6
146.04529	3.5
149.02403	1.1
151.03951	1.3
153.06670	4.2
160.00687	12.7
165.01855	2.2
166.09814	2.4
167.04575	2.9
167.08202	2.1
170.03242	1.3
171.04060	0.9
171.10231	4.5
177.03339	6.2
178.99777	0.7
179.04585	11.7
181.06134	1.0
183.15015	0.8
185.05653	2.2
197.05705	1.5
209.11882	3.5
210.08821	10.2
228.09850	0.9
233.74696	0.6
254.07864	16.2
255.08160	1.1
272.08936	26.9
273.09085	1.9
288.06635	10.1
306.07718	100.0
307.07953	5.4
454.85818	0.8
469.24060	1.2
580.26489	1.5
581.28674	1.0
598.28082	21.9
599.28662	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86535	0.6
59.01263	86.6
60.01593	1.2
69.48187	2.1
69.48608	2.9
71.87183	0.5
78.93224	0.6
89.02534	0.6
93.03342	1.1
100.52292	0.6
121.02856	1.9
122.03667	5.1
133.02911	0.7
135.02924	0.8
149.02374	18.9
150.03165	47.4
151.03522	2.2
152.05609	0.7
164.04727	6.0
165.05521	81.7
166.05899	3.5
180.04236	4.2
181.08665	1.1
183.07622	0.6
195.06602	100.0
196.06882	4.9
293.24158	0.7
314.11612	6.2
315.12253	0.7
329.14005	33.8
330.14236	2.0
375.14413	0.6
377.16116	66.4
378.16440	8.5
396.57233	0.6
397.73035	0.6
488.23737	0.6
493.20419	0.6
569.24475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78526	0.8
59.01265	100.0
69.81132	1.1
69.81971	5.5
98.19802	1.7
119.19199	0.9
121.02869	3.7
122.03671	3.5
149.02386	44.4
150.03169	35.3
151.03574	1.3
164.04724	12.7
165.05522	59.0
166.06053	4.0
167.03589	1.0
167.07127	1.9
176.53613	0.9
180.04224	5.3
181.08664	2.6
195.06609	63.7
196.06938	3.3
283.09903	1.7
314.11655	19.7
315.12006	1.9
329.13998	97.4
330.14362	9.3
377.16122	81.4
378.16458	10.5
566.68073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.6
57.03327	4.2
58.00460	1.4
59.01264	22.3
61.41846	0.7
61.98717	17.6
69.03348	1.1
70.97984	1.2
70.98329	0.8
71.01267	35.6
72.63116	0.5
72.99202	1.7
73.02831	10.5
74.60360	0.6
75.00769	1.9
78.95797	1.7
79.95628	1.1
83.01276	6.4
84.02065	0.7
85.02838	32.1
87.00758	3.3
87.04406	100.0
88.04741	2.3
89.02332	8.6
95.01286	2.6
96.95914	9.6
97.02856	2.2
97.35954	0.6
98.95493	2.0
99.00777	5.0
99.04395	0.8
99.92469	0.7
101.02345	24.8
101.03017	1.4
111.00771	2.0
113.02348	12.6
119.03400	2.6
119.04938	0.9
121.02899	0.8
125.02347	4.1
129.01852	1.7
131.03354	0.8
133.02855	2.0
134.03650	0.9
135.02888	2.1
135.04466	1.3
137.02354	2.0
137.33226	0.6
143.03424	2.3
147.02965	3.9
150.03168	0.6
159.02940	1.1
161.04488	10.6
165.05472	0.7
171.10210	7.0
177.01909	2.0
178.02670	1.4
178.99815	0.9
179.03432	0.7
179.05594	2.0
191.01927	9.2
207.95375	0.6
209.03047	1.0
209.11781	7.3
210.12305	0.8
225.11415	1.2
235.08345	1.1
245.06709	0.7
253.09471	0.8
263.07712	0.7
289.07333	0.7
289.16724	1.7
305.08969	1.3
307.17828	0.8
309.14835	0.7
349.19156	0.7
377.21866	7.2
451.21902	28.9
452.22046	2.9
539.27161	60.7
540.27588	7.7
581.11115	0.7
581.19202	1.1
599.20782	1.1
599.29285	11.6
600.29126	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	599.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01258	9.5
61.98714	100.0
63.99146	1.3
71.56946	1.7
81.03355	1.4
83.01279	4.0
83.04913	1.2
87.90960	1.0
97.02837	1.4
97.06502	2.4
107.00933	0.9
109.06458	1.2
123.04399	1.9
125.09644	5.9
137.06015	1.3
137.09641	2.8
163.11217	4.1
165.12773	4.0
177.12738	1.1
185.11830	4.3
191.14345	6.4
207.10329	1.9
209.11790	26.3
210.12172	2.9
223.13435	1.5
225.11328	3.0
245.19159	9.6
247.20671	1.6
289.18149	28.5
290.11429	1.1
290.18469	3.8
291.19730	11.1
307.19223	27.2
308.19479	3.9
360.47687	1.1
424.25214	1.3
545.95068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.0
59.01253	3.1
61.98692	1.2
68.28382	1.2
71.01247	1.3
71.05306	2.6
78.95780	3.5
81.03339	2.4
83.04914	1.5
89.48582	1.1
95.04933	2.3
97.02826	2.2
97.06506	1.5
99.04366	1.5
109.06483	1.5
121.06517	1.4
123.04409	2.2
125.09662	5.8
125.10476	1.3
135.08093	3.2
137.09641	3.0
141.05484	3.6
148.08884	1.3
152.99483	1.4
153.09154	8.3
161.09618	1.2
163.11243	7.4
163.40819	1.1
165.12790	13.6
171.10219	11.7
175.11179	1.2
181.12277	1.8
185.11778	7.4
191.14359	7.8
197.11725	2.2
207.10226	3.7
209.11769	5.1
211.13316	1.5
217.15929	1.4
225.11305	3.0
245.06541	1.3
245.19147	20.4
245.21527	0.9
247.20786	7.4
271.17108	1.1
273.18588	4.2
283.26385	2.8
289.18158	76.1
290.18378	6.0
291.19724	54.1
292.20056	4.1
292.45105	1.1
307.19220	100.0
308.19537	7.4
325.20285	27.6
326.20547	2.7
411.57602	1.2
563.37512	2.7
581.38812	5.9
599.31989	4.3
599.39886	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	599.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50111	1.2
56.98302	1.2
57.03337	2.3
59.01257	3.8
61.98697	3.5
69.37177	13.4
78.95794	8.7
81.03370	1.8
96.96842	1.9
97.06484	1.7
109.06508	2.2
123.08113	1.8
125.09678	2.2
135.08067	1.6
137.09663	3.2
151.11238	2.0
152.99530	5.3
153.09050	1.8
153.12759	2.8
163.11186	3.5
167.10719	1.8
171.10181	1.5
181.12302	3.0
185.11786	4.4
191.14397	3.0
197.11711	2.1
207.10245	3.3
209.11852	2.0
215.12878	1.9
225.11247	3.3
229.23874	1.6
241.01193	3.4
245.19081	7.2
247.20656	5.4
263.20441	1.4
271.16916	1.4
273.18494	2.5
281.21176	1.5
283.26456	8.6
289.18155	34.7
290.18497	3.0
291.19733	33.4
292.19995	2.0
294.61282	1.2
305.17868	1.6
307.19214	29.8
308.19464	2.7
309.20770	100.0
310.21008	9.5
325.20248	3.7
342.79840	1.5
563.37207	2.9
581.38776	4.5
582.38953	2.5
599.31854	12.5
599.40247	2.9
600.31860	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	600.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54535	0.1
54.59515	0.1
57.03342	0.3
59.01255	0.9
61.53385	0.2
61.98713	100.0
69.32947	1.4
71.01276	0.9
72.99196	0.8
73.02840	0.2
78.95786	0.2
85.02840	1.2
86.03165	0.2
87.04388	0.9
88.98691	0.3
89.02345	0.4
91.00258	0.2
91.01787	0.6
95.01282	0.2
96.95920	1.0
99.00842	0.2
99.04430	0.3
101.02358	0.4
108.02086	0.8
109.02879	0.5
113.02346	0.2
121.02814	0.1
123.00803	0.2
123.04406	0.1
125.02385	0.4
133.02818	0.1
135.00772	0.9
137.02385	0.5
149.02354	0.2
151.00249	0.2
151.03957	0.2
152.01100	1.0
153.28114	0.1
161.04457	0.2
165.01840	0.2
171.10223	0.5
178.02762	0.3
178.99841	0.2
191.01962	0.4
209.11826	0.5
210.12337	0.2
235.08432	0.1
235.36906	0.1
243.06638	7.5
244.07053	0.4
274.15381	0.2
276.54773	0.2
292.29715	0.1
342.97430	0.1
429.10678	0.2
455.16986	0.7
537.16260	3.1
538.17145	0.3
539.27423	0.3
540.27057	0.3
599.29437	0.2
600.29633	0.4
615.73853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69741	0.5
57.03303	1.7
59.01269	3.3
65.26506	0.4
69.03320	0.7
69.28528	0.5
70.95656	1.1
71.04867	1.2
75.08401	0.5
80.02527	0.7
81.03319	1.7
83.04864	0.9
95.04877	2.2
97.02846	2.6
97.06443	1.7
98.83729	0.4
99.04351	0.8
106.04144	0.5
107.04874	0.8
109.06461	1.3
111.08041	0.5
112.05201	0.8
113.09570	0.7
121.06470	1.2
123.04425	2.8
123.08054	1.5
125.05945	0.6
125.09644	4.8
127.07512	0.6
135.08083	3.5
136.05148	0.5
137.05977	0.5
137.09615	3.0
141.05504	4.1
141.09096	0.9
141.12712	0.9
142.02600	0.5
147.61989	0.5
149.05945	0.6
149.09628	0.5
151.11201	0.9
153.08012	0.8
153.09138	9.1
157.35556	0.4
161.09648	0.6
162.10371	0.6
163.07494	0.9
163.11241	6.0
165.09087	0.7
165.12781	1.4
171.10213	12.3
175.11165	0.6
177.12778	1.0
179.10666	0.9
179.14319	1.1
181.12178	1.1
183.13792	0.6
185.11798	6.9
191.10657	0.6
191.14368	8.8
192.14656	0.6
193.12279	0.5
195.13872	5.1
197.11732	2.0
205.12192	0.7
207.10309	3.5
209.11816	6.4
210.12172	0.8
211.13380	0.8
217.15933	1.2
223.13374	4.2
225.11345	3.5
235.03093	0.6
243.17531	0.7
245.19121	18.6
246.19432	1.1
247.16963	0.9
255.12437	0.7
256.13248	1.1
263.20129	0.8
271.17035	1.6
275.20206	2.1
279.19727	1.0
287.16714	0.6
289.18146	74.9
290.18466	6.1
291.19656	0.9
293.21274	50.4
294.21597	4.8
307.19202	100.0
308.19543	8.8
309.20920	2.3
325.20264	27.7
326.20547	2.7
411.29196	1.2
429.30521	0.9
565.39044	3.7
566.39777	0.8
583.40125	4.8
601.41315	3.0
602.41614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89551	0.8
57.03333	1.7
71.48241	1.8
73.02282	1.0
101.46036	0.8
109.06467	1.0
111.08065	7.2
151.11180	2.2
153.12761	2.8
155.10701	1.1
165.12755	1.2
167.10820	1.0
169.12270	2.6
171.10156	2.1
179.14363	1.6
181.12277	4.2
191.14407	1.1
197.11810	19.8
198.12016	1.1
207.13882	1.2
211.13426	1.8
227.12775	1.3
245.19063	2.1
247.20766	4.6
263.20349	1.4
273.18701	2.4
281.21033	1.4
289.18124	4.6
291.19733	30.2
292.19995	2.1
293.21173	3.0
307.19208	4.6
309.20770	100.0
310.21216	8.4
325.20331	1.8
388.05618	0.9
565.38727	1.0
571.62152	1.0
583.40070	6.7
601.33038	1.0
601.41412	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	602.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.6
57.03352	1.8
58.00473	3.1
59.01262	53.8
61.98714	7.5
71.01269	32.6
71.04907	3.5
71.58871	1.1
72.99200	3.6
73.02840	1.3
74.18922	0.9
78.95807	0.9
81.03375	0.9
83.01269	1.7
85.02840	8.2
87.00747	2.1
88.98711	1.0
89.02338	31.0
95.01321	2.2
96.95913	4.4
97.06502	1.7
99.00813	1.1
101.02340	17.2
111.08085	1.2
113.02359	10.8
115.07557	6.0
116.92784	0.9
119.03412	11.1
125.02356	2.6
127.11207	5.3
131.03432	2.2
133.41415	0.8
137.02356	1.8
139.03911	1.2
143.03502	2.0
145.27977	0.8
146.01384	0.8
149.04443	1.1
152.99545	1.7
156.10255	2.5
158.11839	2.9
161.04520	2.1
163.03880	1.5
163.11288	1.0
165.12798	19.2
169.12296	15.3
171.10220	1.5
177.01935	2.1
179.03429	1.0
179.05667	4.5
179.06966	1.0
182.15477	1.9
183.13873	13.7
183.15395	1.5
195.17467	1.8
201.05624	1.0
209.11807	3.4
211.13403	1.7
212.16777	1.2
219.17601	1.4
224.16521	6.7
225.16795	1.1
226.18149	9.3
227.12906	9.2
228.13527	0.9
237.18607	3.4
239.16501	1.9
262.48877	0.9
263.20215	4.0
270.17163	5.8
281.17734	1.1
306.20734	1.5
307.19247	2.3
324.21890	3.5
389.43527	0.9
422.29187	100.0
423.29626	11.9
518.32404	1.0
573.52112	1.0
602.36115	23.7
603.35504	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	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.8
59.01265	63.0
61.98707	4.6
62.76360	1.8
69.03333	2.1
71.01271	21.5
71.04946	1.8
71.44796	3.3
72.99167	2.0
73.02837	4.2
73.78294	1.5
75.00771	1.8
83.01261	2.0
83.04903	4.2
85.02843	5.2
87.00766	4.7
89.02333	17.5
89.34496	1.7
95.01252	2.0
95.63632	1.5
96.95869	3.9
97.06503	9.3
101.02353	17.6
109.06466	2.6
111.08080	3.3
113.02354	9.5
119.03412	5.3
123.04430	2.1
125.09647	2.6
137.02344	2.5
142.36104	1.8
145.02864	2.4
149.29535	1.6
151.11154	8.5
155.10750	3.6
161.02399	3.0
161.04521	7.8
163.11203	5.7
164.57108	1.9
165.12848	14.1
169.12318	3.1
176.28468	1.8
179.05586	3.5
179.10742	4.4
181.12297	11.8
183.13812	2.4
191.10756	7.8
191.14380	2.7
197.11737	1.8
209.11813	46.6
210.12134	2.1
211.13434	4.6
227.12894	13.3
235.08173	2.3
245.19182	13.7
252.24033	1.7
253.09338	39.3
261.18701	2.3
263.20203	19.6
264.20749	1.9
279.19592	1.8
289.18109	24.8
290.18521	2.7
307.19217	100.0
308.19611	9.4
367.14221	1.9
445.20963	23.1
446.21216	3.0
460.19321	3.9
520.24561	2.2
543.28156	17.8
544.28778	3.1
603.27490	2.4
620.30487	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	603.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94588	0.6
55.01770	3.3
55.72002	0.7
57.03337	4.6
58.00483	2.4
59.01261	100.0
60.01612	1.2
61.98724	2.5
68.91399	0.6
69.03330	3.6
71.01267	72.6
71.56355	0.9
72.01613	1.1
72.99187	4.5
73.02835	21.8
75.00769	2.9
78.95837	0.8
81.03345	1.8
81.06998	2.0
83.01269	13.2
83.04934	0.7
84.02095	0.7
85.02840	44.9
86.03194	0.8
87.00768	29.4
87.04408	3.3
89.02335	41.4
92.38914	0.6
95.01294	5.5
95.04916	0.7
96.95905	3.5
96.96880	0.7
97.02856	9.5
99.00779	5.3
99.04444	0.8
101.02342	61.6
102.02674	1.6
105.04595	0.7
113.02350	34.4
114.02698	0.9
115.03919	3.5
119.03419	18.6
124.01573	14.1
125.02361	22.7
131.03432	4.8
132.03569	0.6
135.02975	1.6
135.04449	1.2
137.02383	1.6
143.03430	32.1
145.05026	1.1
149.04507	2.6
149.13326	3.2
151.00362	1.1
159.02957	2.9
161.04492	47.5
162.04857	1.6
177.01808	0.7
179.05565	25.6
180.05905	1.2
193.12175	0.8
201.05605	0.9
203.05544	4.5
211.08565	0.6
213.08507	1.2
219.17642	2.9
221.06639	9.5
235.08226	10.1
235.10417	0.8
237.18616	25.6
238.18977	1.6
263.07767	8.5
286.11566	0.8
289.18188	0.7
305.08936	1.9
316.08011	0.6
323.09979	0.8
327.21976	1.6
389.82285	0.7
399.24130	1.8
427.17984	1.6
441.23331	1.0
543.28082	4.6
561.29242	26.3
562.29449	3.3
585.72949	0.7
603.30945	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	603.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.3
59.01262	52.1
61.98728	1.9
69.03323	1.3
69.93084	5.7
71.01267	13.0
72.99200	1.0
73.02837	1.6
75.00772	1.5
81.03342	1.7
83.01260	4.4
83.04906	2.8
85.02840	3.6
87.00771	1.9
88.98681	4.6
89.02326	9.2
95.04951	1.8
95.76845	0.9
97.02837	2.7
97.06489	6.5
101.02341	12.6
107.04967	1.2
109.06469	1.2
113.02347	5.8
116.73798	0.9
119.03434	2.4
123.04429	4.0
123.08054	1.9
125.09637	7.8
128.26160	1.1
135.02963	1.1
135.08076	1.9
137.09634	4.2
141.12796	1.0
143.03488	1.0
145.02910	4.0
149.02412	1.3
161.04506	5.5
163.11232	9.2
165.12787	2.3
171.10225	2.7
177.12863	1.6
179.05505	1.2
179.10788	1.2
181.12239	1.8
185.11781	8.6
191.10797	1.2
191.14372	8.7
198.41458	1.0
201.23317	0.9
207.10234	5.8
209.11815	40.3
209.13812	2.2
210.12088	2.3
211.13277	2.4
215.07285	1.1
217.15959	1.6
220.86978	1.1
225.11354	2.8
227.12848	1.6
231.10248	1.5
235.08368	1.2
237.11234	6.1
245.19139	19.8
246.19421	1.5
253.09305	44.0
254.09607	1.6
263.20230	6.1
271.17096	2.7
289.18140	100.0
290.18503	7.2
307.19196	99.3
308.19470	9.6
371.40848	0.9
372.07529	1.0
442.82431	1.0
543.28168	3.8
603.25708	4.1
603.36871	1.6
604.25055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32767	0.8
57.99483	0.7
59.01254	2.3
60.98897	1.1
60.99192	17.0
70.87120	2.0
78.95789	2.4
81.35147	0.8
83.52181	0.7
87.00778	4.4
88.00297	7.4
88.98700	100.0
89.02338	55.7
89.99019	1.0
109.67809	0.8
152.99510	2.0
161.61029	0.7
171.10277	2.1
184.31320	0.8
277.21680	1.4
314.98364	0.9
351.59589	0.8
365.13470	0.8
502.23895	1.0
509.46063	1.0
592.15594	1.0
603.20557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47338	0.1
56.90583	0.2
57.03318	0.2
59.01261	100.0
60.01587	1.0
61.98717	0.5
69.03331	0.2
69.49721	1.2
71.01265	1.2
72.99199	0.3
73.02844	0.3
76.50012	0.2
83.04923	0.3
83.95174	0.1
85.02849	0.4
87.00780	0.2
89.02328	0.8
92.63645	0.2
93.03337	0.1
96.95915	0.7
97.02845	0.2
99.00762	0.2
100.00294	0.2
101.02355	0.6
109.02856	0.2
113.02347	0.4
119.03428	0.2
122.03688	0.2
123.04446	0.3
125.02362	0.4
135.02914	0.3
135.04454	0.8
135.98317	0.3
137.02409	0.3
151.00262	0.2
161.02431	0.2
163.03922	0.2
165.01883	0.4
178.02690	0.2
179.03423	0.3
187.04147	0.2
191.66025	0.2
193.05119	0.2
233.51587	0.2
236.05797	0.2
293.09094	0.2
341.08618	0.2
360.15649	0.2
375.27109	0.2
385.89938	0.2
417.28195	0.3
435.29276	0.3
455.31970	0.2
483.31323	1.6
497.33145	0.6
499.28757	0.2
501.32162	0.3
515.33838	1.9
516.33942	0.2
543.33899	0.3
603.15350	0.1
603.25537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	4.0
58.46391	3.0
59.01251	5.0
71.58011	3.1
80.02554	3.4
85.32809	2.9
95.04871	4.0
97.06470	4.3
104.75924	3.6
112.47673	2.9
123.04412	6.5
123.08099	3.7
125.09608	6.5
135.08031	4.8
137.09642	4.6
151.11288	3.6
153.09116	8.3
154.13034	2.7
155.10678	11.2
163.11186	7.8
165.09186	3.9
165.12801	8.3
171.10196	22.8
171.11398	3.9
184.53052	3.6
185.11783	11.9
185.96596	3.0
191.14436	7.5
195.13861	13.8
207.10463	3.2
209.11841	5.7
225.11246	8.5
245.19138	18.4
247.20676	8.1
248.20934	4.0
277.21716	12.6
289.18164	73.0
290.18402	9.2
291.19739	49.3
292.20090	10.4
293.21292	35.5
294.21564	3.4
295.22876	60.8
296.23273	4.5
307.19199	100.0
308.19528	8.2
309.20786	83.6
310.21112	14.3
325.20251	28.6
326.20706	3.6
327.21942	18.7
355.93149	2.9
541.42987	3.3
567.40625	5.0
585.41577	4.7
603.42419	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	605.2422
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.05419	0.2
57.97744	0.2
59.01266	0.3
59.57313	0.2
71.01279	0.2
71.58443	0.4
79.82368	0.2
80.96386	0.3
106.06530	0.3
151.66927	0.2
235.09135	0.3
350.81155	0.2
380.60318	0.2
394.12143	0.4
401.18048	0.4
415.15402	0.6
416.16492	0.7
428.16623	0.4
429.17130	0.9
430.18027	0.9
431.18454	0.4
432.16791	0.3
442.17749	0.3
443.19022	0.8
444.19678	0.5
455.19257	0.5
457.20984	2.1
458.17166	0.5
459.17761	2.6
460.18710	0.7
461.23956	0.5
470.20929	0.8
471.18347	1.3
472.18912	0.7
473.19913	4.8
474.20203	0.7
475.21219	0.6
485.20074	1.7
485.23627	1.2
486.20740	4.4
487.21658	1.4
496.18890	1.0
497.19000	0.3
499.17667	2.5
500.18289	0.7
501.23923	3.0
502.21240	0.4
503.20996	0.4
511.21497	2.7
512.22150	0.6
513.19342	3.1
514.20142	8.3
515.20599	1.6
517.19061	0.8
518.19519	1.6
528.21600	0.5
529.22552	100.0
530.22900	16.5
532.21045	1.7
533.21857	2.0
534.22485	0.3
546.22925	0.4
561.25232	0.7
573.21741	1.5
605.23840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03984	0.5
71.56870	0.9
71.57325	0.6
98.72457	0.5
121.74970	0.5
148.35684	0.5
153.91989	0.6
184.32150	0.6
291.18835	0.9
394.11829	0.8
415.15881	0.7
416.16440	0.6
429.17139	1.2
430.18103	1.8
457.20551	2.5
459.18378	1.9
461.23843	0.7
470.21259	0.8
471.18274	1.8
472.18573	0.7
473.19894	4.8
485.20078	2.3
486.21033	3.2
487.21667	0.9
497.20090	0.9
499.17850	1.8
501.22806	2.3
502.23035	0.6
511.21304	3.2
513.19434	2.0
514.20087	9.0
515.20416	1.0
518.19769	1.5
529.22540	100.0
530.22864	16.8
532.21252	1.1
533.22125	2.4
573.21661	1.6
605.24231	2.1
605.38519	0.8
605.75177	0.6
629.95703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	9.3
61.98717	5.6
71.01273	4.9
71.28973	1.2
72.99200	4.5
75.00763	49.1
78.95788	1.0
80.96394	0.9
87.00768	0.9
88.98703	0.6
89.02339	8.6
96.95901	2.0
99.00787	1.4
101.02370	1.6
109.02877	1.5
117.01850	2.4
121.02940	0.7
123.04442	1.8
125.02384	0.7
132.02087	5.4
133.02890	8.4
134.03613	2.2
135.02925	99.0
135.04419	12.3
136.03264	2.4
137.02382	2.0
146.03647	1.8
147.04451	1.7
148.05235	1.2
149.06081	1.2
152.99600	0.7
153.05443	0.7
158.03595	1.1
159.04378	0.7
160.01604	12.3
161.02400	28.5
161.06017	0.9
162.03038	2.1
163.03961	2.1
171.04486	0.9
171.10278	0.9
171.12952	0.6
172.05315	1.1
173.02400	1.2
174.03198	5.0
175.03981	1.3
176.04691	1.2
178.02551	0.6
179.03453	7.9
185.02283	0.8
185.06027	0.9
187.03987	5.3
187.07603	1.2
189.05353	0.6
191.03485	1.4
199.03908	1.0
200.04773	4.5
201.01917	2.9
201.05765	0.7
205.64066	0.6
206.02248	1.9
209.11746	2.4
213.05608	3.9
214.06082	1.1
215.03487	0.7
215.07162	0.7
219.02950	4.5
227.03468	0.8
227.07289	1.0
229.05098	3.2
243.02919	0.8
257.15591	1.0
269.04694	0.7
279.05157	18.9
280.05496	1.0
281.15628	0.8
289.18015	0.7
291.19739	1.8
297.06253	3.4
298.08466	1.1
299.16541	4.2
301.18008	1.0
307.19247	1.2
309.20770	2.7
317.17502	0.7
325.14551	6.0
325.20352	3.3
326.14752	1.4
327.16068	3.2
341.13934	0.9
343.15564	18.8
344.15958	2.0
345.17178	5.9
353.13535	0.8
355.15576	1.2
371.14911	1.4
373.16614	1.1
397.23868	2.0
407.22250	1.7
418.22702	0.6
425.23337	12.6
425.28799	0.9
426.23700	1.5
433.20065	0.8
441.22675	1.4
443.24268	4.0
445.74255	0.7
451.21451	5.3
469.22415	100.0
470.16025	0.8
470.22751	15.0
487.23578	1.5
513.25061	0.6
545.29944	1.1
605.25269	4.2
606.26141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52002	0.4
52.00127	0.4
59.01263	12.3
61.98722	2.3
62.58228	0.3
71.01265	5.2
72.02032	0.6
72.99192	2.9
73.02840	1.7
75.00764	35.4
79.23454	0.4
85.02839	0.9
87.00788	0.7
89.02335	6.7
96.95285	1.0
96.95912	19.5
97.02816	0.5
98.20605	0.6
98.95487	0.5
99.00767	2.1
101.02361	2.1
105.06996	0.5
109.02856	0.6
113.02372	0.7
117.01853	1.9
122.54092	0.4
123.08134	0.6
124.01604	0.4
125.02328	0.5
131.03426	0.5
135.02919	69.7
136.03252	2.1
141.09132	0.9
149.04529	0.8
151.00272	0.6
159.04463	1.5
159.10217	0.6
160.05170	1.2
161.02359	0.8
167.07069	1.0
172.05249	10.7
173.05841	1.5
174.03174	1.1
174.06793	0.6
185.06044	6.9
186.06685	1.2
187.03955	5.3
187.07646	0.7
197.06018	0.9
199.03964	4.2
199.07669	1.1
200.04546	1.0
201.05566	0.6
204.04237	2.4
209.06013	0.6
211.04053	1.1
211.07634	0.4
213.05573	10.3
214.06157	1.5
216.04245	0.5
225.84042	0.5
227.03502	7.5
227.07047	0.9
227.10712	0.5
228.04080	0.7
229.05057	2.8
239.03568	0.7
240.04398	0.6
253.08617	0.4
253.12488	0.5
254.05887	1.5
255.03026	1.2
255.13931	1.0
257.04578	3.4
257.15472	0.9
258.04996	0.6
260.59088	0.4
267.06812	0.5
283.13449	41.0
284.13763	3.0
285.14999	1.0
295.13293	0.8
297.15033	1.1
299.16626	0.9
301.14523	14.8
302.14798	1.6
303.16132	1.4
309.14792	0.7
315.15900	0.9
325.10867	3.5
325.14508	2.4
326.11478	2.7
327.12439	3.7
327.16071	0.9
337.14615	1.4
343.15695	1.1
345.13492	3.1
355.15616	0.6
356.16318	2.7
371.15262	0.8
383.24646	0.7
389.21442	1.3
400.15372	1.0
407.22165	3.0
425.23404	3.3
433.20212	0.5
443.24451	16.9
444.24866	2.3
451.21350	6.4
452.21811	0.5
469.22403	100.0
470.22723	15.4
487.23788	0.6
545.29688	0.5
561.32721	1.6
605.23505	0.4
605.32166	8.0
606.32654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15138	1.2
57.03321	1.2
59.01261	11.6
61.98713	21.3
71.01268	3.5
72.99175	4.3
73.02809	1.5
75.00357	2.2
75.00757	28.7
78.72934	1.1
78.95799	2.1
83.47665	1.3
87.00764	2.2
89.02336	9.7
92.90141	1.2
93.03356	2.0
95.04929	2.6
96.95877	1.7
101.02283	1.2
105.03371	8.0
109.02840	5.4
111.00707	1.5
117.01800	3.1
121.02858	2.3
123.04450	3.7
124.07593	1.2
125.09626	1.6
126.10268	1.1
132.02084	7.7
133.01846	2.3
133.02875	62.7
134.03668	35.5
135.02895	100.0
135.04417	56.4
136.03204	2.8
136.04773	2.4
137.02373	19.0
139.03885	4.7
143.10760	2.2
149.02388	1.6
150.03120	3.6
151.03896	2.0
159.02975	1.4
159.04416	2.8
160.01576	11.0
161.02397	12.4
161.06038	17.5
163.03931	4.3
172.05257	2.7
173.06046	1.4
174.03140	3.7
177.01884	28.6
177.05434	2.7
178.02667	33.1
179.03461	35.3
180.03801	2.8
181.12306	1.9
187.03937	1.5
189.05435	3.2
211.13341	2.2
213.05684	1.4
230.16394	1.8
247.20744	2.5
251.05794	2.1
252.06459	1.6
257.04498	1.5
273.18753	1.9
283.13412	5.2
289.17883	1.4
291.19693	19.3
292.20157	2.1
295.04657	3.4
296.05441	4.6
297.06174	2.8
299.16693	2.2
301.14490	3.9
307.19250	12.6
308.19641	1.5
309.20746	60.4
310.21100	4.8
325.14267	1.5
327.15997	2.4
345.17099	2.6
347.18945	1.8
361.16739	1.8
371.14951	2.8
407.22159	3.4
425.23352	18.2
426.23663	3.2
443.24408	47.6
444.24698	6.6
451.21512	6.7
469.22430	54.4
470.22488	7.8
487.23590	11.0
487.76361	1.4
605.26025	22.6
606.26208	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	605.319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	2.1
59.01262	29.0
61.98717	12.8
62.61834	1.3
63.14567	1.4
69.27524	16.2
69.34208	1.4
71.01268	12.4
71.53263	1.4
73.02819	2.0
75.00762	4.5
78.95770	3.1
85.02837	4.1
86.82368	1.5
87.00780	3.7
89.02311	9.9
96.95885	7.6
97.02824	1.6
101.02326	11.2
111.08067	16.5
113.02374	5.0
119.03439	2.2
135.02905	12.3
135.04483	3.5
161.04463	3.1
169.12292	3.8
178.02679	1.7
179.10690	1.4
197.09972	3.4
197.11804	71.2
198.12161	2.8
199.13391	5.3
206.45668	1.7
211.13388	11.0
227.12926	2.6
228.60258	1.7
253.09317	54.4
254.09715	2.5
263.20209	4.9
291.19736	31.9
309.20761	100.0
310.21271	8.3
425.23575	2.2
433.20862	2.9
443.23688	2.6
469.22165	4.4
545.29926	3.5
605.26202	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	605.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45070	1.3
57.03362	1.5
59.01264	22.6
61.98682	1.9
63.29533	1.2
68.72536	1.3
70.01675	6.8
71.01274	8.8
71.25938	1.4
73.02838	2.3
74.30980	1.3
75.00768	10.6
77.76965	1.3
80.29462	1.4
85.02877	1.6
89.02328	10.3
96.95918	3.4
101.02342	9.2
105.43843	1.3
111.08063	15.1
113.02353	4.0
119.03390	2.6
133.02863	2.0
134.03667	1.7
135.02917	27.9
135.04402	2.4
153.12784	1.9
161.02359	1.6
161.04492	4.5
161.05867	1.6
169.12277	6.2
179.03505	1.8
187.03912	1.6
197.11801	70.6
198.12206	3.3
199.13316	4.7
211.13350	8.8
227.12866	1.7
253.06691	3.0
253.09322	47.1
263.20200	3.2
267.27142	1.6
271.13654	1.4
291.19751	21.5
292.19989	3.0
299.16190	1.6
309.20758	100.0
310.21085	8.4
315.12625	2.5
325.14423	1.5
343.15622	2.6
425.23300	7.3
443.24207	7.2
444.24014	1.6
469.22430	28.3
470.22775	3.7
545.29590	3.9
565.64374	1.8
605.26477	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.7
60.99189	2.7
61.98682	1.0
62.56967	0.7
68.40121	0.6
69.29087	4.7
69.29518	3.0
78.95779	1.5
83.35323	0.6
87.00774	1.9
88.00294	3.3
88.98166	1.3
88.98695	20.4
89.02325	2.4
91.00809	0.8
93.03344	4.3
95.04932	0.7
96.95919	0.9
97.06519	0.7
98.19833	1.4
148.08858	1.6
150.10492	1.0
151.11237	1.3
152.99577	0.7
155.21397	0.7
161.72562	0.8
165.12794	29.3
166.13129	1.5
175.33212	0.9
193.96016	0.9
209.11794	1.3
217.15970	0.9
221.84116	0.8
241.61134	0.8
244.10860	7.3
247.20706	15.6
248.21025	1.5
273.18668	7.4
277.21756	1.1
291.19717	100.0
292.20062	7.3
303.41364	0.7
307.19177	1.4
313.17899	27.9
314.18396	2.1
478.08615	0.9
605.38361	46.9
606.38623	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	606.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.7
61.98716	100.0
71.01269	0.6
71.56573	0.2
75.00767	0.5
75.38200	0.2
76.67249	0.1
78.95810	0.6
79.95618	0.3
80.96406	0.9
85.02861	0.2
87.00800	0.2
88.98724	0.1
94.98006	0.4
96.95937	0.2
98.26609	0.1
101.02351	0.2
106.93369	0.1
109.02900	0.2
125.02422	0.2
133.02884	1.0
134.03668	0.4
135.02953	1.4
135.04449	0.6
136.03256	0.2
136.04843	0.2
137.02425	0.3
138.02756	0.2
151.00313	0.1
152.99568	0.5
156.22263	0.1
160.01715	0.1
161.02368	0.1
161.06107	0.2
164.98553	0.3
177.01935	0.4
178.02655	0.4
178.99838	0.1
179.03441	0.7
180.03925	0.2
185.11922	0.2
198.41473	0.1
199.33549	0.1
203.72807	0.1
209.11896	0.3
211.13416	0.2
217.67155	0.1
223.34355	0.1
225.00793	0.3
289.18103	0.2
290.18756	0.2
291.19260	0.3
307.19174	0.2
308.19443	0.3
309.20557	0.4
310.21130	0.4
426.23953	0.4
444.24948	0.5
469.22742	0.2
470.22791	1.0
488.24191	0.3
575.26404	0.2
606.26569	0.5
607.24310	1.9
615.85822	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19124	0.1
57.03334	0.5
59.01266	1.2
63.02278	3.3
65.00206	5.1
69.03322	0.3
69.81767	0.6
71.01260	0.5
73.02839	0.2
76.42297	0.1
76.57126	0.1
79.64247	0.1
83.01276	3.4
85.02849	0.7
86.33578	0.1
89.02353	0.4
91.01803	0.2
93.03356	1.4
95.01276	0.7
96.95904	0.1
97.02867	0.3
98.19868	0.2
99.00784	0.2
101.02340	0.3
103.03916	0.3
107.01294	9.9
108.02113	0.4
108.79998	0.1
109.02859	1.7
110.03243	0.1
111.00792	1.7
113.02350	4.2
119.03375	0.2
119.04921	0.2
121.02872	7.7
122.03171	0.2
123.73720	0.1
124.01608	0.2
125.02366	0.7
133.02914	0.2
135.00815	0.3
135.02911	0.1
135.04436	0.2
137.02394	0.5
139.03937	0.5
141.01863	2.5
145.02867	0.2
147.00844	0.2
147.04395	0.2
148.01624	0.5
149.02399	1.0
151.00308	34.4
152.00623	1.2
153.01747	0.2
159.04448	0.5
161.02417	0.4
161.06064	0.2
163.00328	1.5
163.03972	0.4
163.32668	0.1
164.01112	0.6
165.01802	0.4
167.03424	0.2
167.04970	0.2
169.01384	2.6
171.04532	0.1
173.06079	0.2
174.03119	0.1
175.03958	0.5
177.01878	0.1
177.05510	0.1
178.99820	15.2
180.00208	0.6
183.04449	0.4
185.05942	0.2
187.03922	0.7
189.01944	0.1
189.05731	0.1
190.99887	0.1
192.00600	0.3
193.01357	0.8
198.03128	0.1
199.04042	0.3
201.05469	0.5
203.03488	0.3
205.05046	0.4
211.04018	0.8
212.04564	0.2
213.01970	0.2
215.03445	0.3
216.04224	0.1
217.04948	0.2
226.02661	0.2
227.03537	1.1
228.04099	0.2
229.05025	1.1
230.02286	0.1
231.03047	0.2
239.03400	0.1
241.01425	0.2
242.02167	0.2
243.03049	1.5
244.03557	0.2
245.04527	1.3
254.02191	0.2
255.03014	4.3
256.03424	0.6
257.04611	0.6
259.02640	0.2
270.01627	0.2
271.02527	7.3
272.03027	0.7
273.04077	2.1
278.31308	0.1
283.02383	0.7
284.03427	0.2
289.07449	0.1
299.02097	0.9
300.02792	10.6
301.03568	100.0
302.03918	7.5
305.08826	0.4
443.06195	0.3
463.08905	10.0
464.09222	1.0
607.13086	6.1
607.23199	0.1
608.13745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91304	0.3
57.03316	0.7
59.01260	3.0
61.98715	29.2
63.96127	0.9
69.03345	0.9
71.01269	8.6
71.56673	0.5
72.99190	0.6
73.02848	1.2
75.00764	0.5
78.95790	9.5
78.98480	5.4
79.74171	0.4
79.95623	14.0
80.96407	58.7
81.03346	0.9
83.01284	0.5
83.04903	0.4
85.02846	3.1
87.00758	2.4
88.98701	0.6
89.02330	0.7
94.97984	14.0
95.01287	0.5
95.15991	0.4
96.95906	1.6
96.96869	1.6
97.02864	1.3
99.00811	0.6
99.04402	0.5
101.02348	2.9
106.97995	2.9
107.01311	0.4
109.02859	0.7
109.85144	0.4
111.08055	1.3
113.02354	1.0
122.97493	3.0
125.02380	2.9
127.03894	1.1
133.02853	0.5
134.97510	4.1
135.02934	2.2
135.04446	0.5
136.99054	1.0
137.02361	0.8
148.99078	5.3
151.00336	0.9
152.98521	3.7
152.99533	10.2
153.09087	0.4
161.04509	0.5
164.98581	10.6
165.01761	0.5
177.01927	0.5
178.99855	1.2
195.13849	0.9
206.99725	1.8
209.11777	2.2
211.13383	1.3
223.00099	0.9
225.00745	14.4
241.01276	3.3
241.86194	0.4
289.18219	0.4
291.19730	6.9
292.19901	0.5
299.04507	2.8
309.20206	0.4
315.04810	1.9
371.06036	0.5
427.12793	0.6
441.14474	0.6
509.16586	0.5
533.27179	0.6
575.26581	0.5
607.24524	100.0
608.24811	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	607.244
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03333	0.4
57.85869	0.3
59.01258	2.2
60.76549	0.3
61.98714	8.7
63.96125	1.0
64.83801	0.3
69.03345	0.8
69.44666	3.0
71.01266	8.6
72.99199	0.8
73.02829	2.4
75.00771	1.2
78.95782	2.7
78.98475	6.7
79.95622	15.7
80.96406	71.0
81.03327	0.9
83.01265	0.8
85.02829	2.6
87.00764	3.0
89.02362	0.5
94.97980	16.8
96.95903	2.4
96.96857	0.4
97.02854	1.7
98.19821	0.6
99.00787	0.6
101.02341	3.5
106.97993	3.5
108.56047	0.3
109.02789	0.5
113.02360	0.6
122.97485	6.3
125.02354	4.7
127.03918	1.2
132.79305	0.3
134.97498	5.1
135.02945	1.1
136.03302	0.4
136.04828	0.3
136.99030	1.7
137.02338	0.4
143.03523	0.4
148.99078	5.8
152.98544	7.9
152.99561	2.3
164.98570	12.8
167.00076	0.5
178.99979	0.4
182.99634	2.2
188.98668	0.4
200.88997	0.3
206.99673	4.0
209.11810	0.8
211.13478	0.7
222.99921	0.4
225.00743	18.3
225.40952	0.3
226.01009	0.6
226.32980	0.3
241.01183	0.7
243.01862	2.4
243.52545	0.3
245.43243	0.3
253.09241	0.4
291.19788	1.7
293.21512	0.4
299.04538	3.0
311.22314	1.5
315.04910	0.4
445.57382	0.4
470.22342	0.4
471.23547	0.9
509.17371	0.4
607.24414	100.0
608.24683	17.4
631.37738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98840	0.2
59.01264	0.4
59.47905	0.1
61.98717	100.0
66.82130	0.1
71.01286	0.1
71.33395	0.1
78.95798	1.5
79.95617	0.2
80.96404	0.7
83.29837	0.1
94.97967	0.2
96.95926	0.2
96.96868	0.2
97.02843	0.1
98.19766	0.3
121.02893	0.2
125.02404	0.3
126.32621	0.1
137.02400	0.4
151.00272	0.3
152.99525	1.5
156.70525	0.2
159.85805	0.1
161.02393	0.2
165.01900	0.4
167.03477	0.2
211.13327	0.3
230.15762	0.2
235.17050	0.4
241.01280	0.5
255.03207	0.2
271.02512	0.7
275.20221	0.4
293.21436	0.4
300.02823	1.2
301.03510	0.3
503.33661	0.2
608.25214	0.6
609.15051	1.1
609.26990	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	608.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97640	0.1
54.18411	0.1
59.01262	1.1
61.98716	100.0
62.29959	0.2
62.98418	0.2
63.96123	0.2
71.01263	1.1
71.56516	0.2
73.02833	0.2
75.00774	0.2
78.95809	0.4
78.98494	0.6
79.95611	1.5
80.96407	5.9
83.01273	0.2
85.02861	0.5
86.89622	0.2
87.00792	0.4
88.98727	0.2
89.02339	0.5
94.97980	1.3
95.01336	0.2
96.95922	0.3
97.02858	0.2
101.02361	0.6
106.98050	0.2
109.02904	0.2
113.02342	0.2
121.02898	0.2
122.97495	0.6
125.02356	1.1
134.97533	0.6
135.02965	0.2
135.04416	0.2
136.99034	0.2
137.02371	1.1
148.99104	0.7
150.03181	0.2
151.00317	0.5
151.77849	0.2
152.98503	0.3
152.99612	0.4
161.02452	0.3
164.98589	1.0
165.01842	0.9
178.99849	0.5
182.99609	0.2
185.41718	0.2
201.05597	0.3
211.13354	0.3
225.00758	1.6
225.15714	0.2
255.02986	0.4
271.02499	1.1
278.93054	0.2
299.04767	0.3
300.02878	1.6
301.03604	0.7
309.20786	0.4
323.22507	0.2
534.28790	0.3
608.24438	3.1
609.15131	1.7
609.26208	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	609.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	0.9
59.01265	3.2
61.98746	0.8
63.02284	5.0
65.00217	6.0
71.01322	2.3
71.56100	0.9
72.99219	0.9
73.02877	2.0
73.90350	0.7
81.01560	0.6
83.01282	5.5
85.02895	1.4
85.97743	0.7
87.00801	1.1
89.02392	1.8
93.03354	3.6
95.01380	0.7
96.95953	1.9
99.89346	0.7
101.02392	2.1
107.01296	14.2
108.02145	0.7
109.02893	1.9
113.02386	1.4
116.56619	0.8
119.04981	1.9
121.02903	1.7
121.69221	0.7
124.01685	1.2
125.02360	5.9
127.69569	0.5
135.00822	0.7
135.02968	1.4
135.04492	1.8
137.02422	2.4
145.02948	1.4
147.00841	0.9
149.02460	1.9
151.00308	60.5
152.01096	4.2
153.01944	0.8
159.04526	0.7
161.02475	2.3
161.04529	0.6
161.05925	0.7
163.00369	2.0
163.03961	3.1
164.01170	1.2
164.04768	1.3
165.01932	0.9
168.99886	1.0
169.01385	8.5
169.02620	0.8
175.00388	1.4
176.01109	2.2
177.01877	0.8
178.99821	61.4
179.07216	0.9
180.00233	3.0
189.01978	2.2
190.02667	1.0
191.03467	0.7
192.00690	1.0
193.01425	5.1
197.06046	0.7
203.03564	1.4
208.03787	3.8
209.06169	1.4
211.04076	1.2
211.13445	2.4
213.05568	1.4
214.02815	0.9
215.03625	1.1
217.01468	2.4
223.06114	10.6
225.05606	0.8
227.03482	1.4
237.05594	2.3
239.03606	1.1
239.06841	0.7
240.04384	2.2
241.05067	3.7
243.03085	2.5
245.04599	0.8
253.05238	1.3
254.05878	0.7
255.03020	6.4
255.05711	0.7
255.06558	0.7
256.03616	2.1
257.04559	1.2
265.05209	1.3
267.03085	1.6
267.06253	0.7
268.03799	0.8
269.04605	4.4
271.02539	13.6
272.02939	1.0
277.01651	0.8
281.01465	0.8
281.04645	2.6
282.05298	1.6
283.02560	2.4
283.06241	9.3
284.06433	1.0
287.02133	1.0
293.04749	0.9
295.02463	3.7
296.03238	1.5
297.04178	0.8
299.02112	2.6
300.02792	17.4
301.03558	12.8
309.03989	2.0
311.02100	2.7
311.05652	2.6
312.02734	1.6
314.00873	1.8
315.01553	2.5
316.02258	4.8
317.03091	6.9
318.03427	0.7
319.02814	1.1
323.02283	1.2
325.03632	2.4
327.01495	3.5
337.03723	1.1
341.03311	1.4
343.04819	1.2
356.01901	1.9
369.02557	10.0
370.03067	2.8
373.07062	0.7
391.08829	1.0
397.13632	1.2
417.06219	2.8
418.06622	1.3
421.05865	5.8
422.06049	1.3
445.05734	3.6
447.07227	1.4
462.06061	4.3
463.06787	100.0
464.07220	10.9
491.08392	6.4
549.29413	2.3
609.12830	76.1
610.13153	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	609.1469
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
50.90840	0.3
57.03334	0.5
59.01256	2.0
63.02289	0.6
65.00208	1.6
70.18323	0.3
71.01259	1.5
71.57111	0.5
73.02848	0.3
83.01283	1.2
84.48367	0.3
85.02836	0.6
87.00773	0.4
89.02323	0.8
93.03347	1.5
95.01299	1.2
99.00749	0.5
101.02361	0.8
107.01292	2.6
108.02067	0.9
109.02855	1.5
110.00018	1.6
111.00796	1.5
117.03367	1.0
119.03446	0.3
119.04948	0.5
121.02866	0.9
123.00780	1.3
124.01594	0.4
125.02354	1.5
131.04913	0.3
132.02109	0.4
133.02898	0.5
135.00769	1.1
135.02884	0.7
135.04456	0.7
136.98732	0.5
137.02357	0.7
137.99568	0.8
139.00256	2.5
141.03421	0.3
143.04916	0.7
145.02913	1.0
146.03229	0.5
148.01645	0.7
149.02364	0.4
151.00304	9.9
152.01086	2.2
153.01857	1.1
155.04987	0.5
159.04457	0.9
161.02374	0.5
163.00337	2.4
163.03969	0.6
164.01065	1.0
165.01894	0.8
165.99004	2.2
166.99815	1.9
167.04979	0.3
169.01363	1.2
171.04437	0.9
173.02371	0.5
173.06090	0.4
175.03842	0.4
177.01921	0.4
178.99796	5.8
179.03439	0.4
181.01402	0.4
182.03632	0.3
182.26382	0.3
183.04530	1.6
185.02493	0.5
185.06033	0.9
187.03987	1.8
192.00659	0.6
193.01460	0.6
193.98520	0.3
195.06552	0.3
198.03136	0.7
199.03938	1.8
200.04662	0.5
201.05573	1.4
203.03452	0.5
206.99373	0.4
207.02881	0.5
209.00853	0.9
210.03094	0.3
211.04018	1.9
212.04451	0.3
213.05479	0.4
215.03488	1.5
216.04123	0.7
217.05013	0.5
226.02711	1.6
227.03484	5.8
228.04204	1.0
229.05077	1.8
239.03596	0.8
243.03001	8.9
244.03563	1.6
245.04501	1.5
248.02850	0.3
254.02231	2.4
255.03018	24.3
256.03494	2.7
257.04639	3.4
269.04669	0.3
271.02518	36.0
272.03198	8.0
273.03940	2.0
282.01678	0.9
283.02548	9.1
284.03189	1.3
285.04047	3.8
297.03986	0.3
299.02066	1.8
300.02795	56.6
301.03549	37.3
302.03992	2.6
322.41418	0.3
343.04663	0.7
347.84766	0.4
367.02753	0.6
440.05841	0.3
447.09137	0.9
463.08704	0.4
489.12686	1.1
491.08350	0.9
549.31677	0.3
591.13617	1.6
609.14691	100.0
610.14984	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	609.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96685	0.5
65.00208	1.7
71.34148	1.0
83.01288	0.9
107.01308	3.3
108.02077	1.2
109.02834	1.6
120.07941	0.4
121.02863	2.1
135.00854	0.6
148.01617	1.3
151.00307	10.4
163.00352	2.6
164.01094	0.8
169.01385	0.5
178.99825	5.1
187.03958	0.6
198.03122	0.5
199.03944	1.0
211.03915	0.8
226.02698	1.2
227.03479	2.5
229.05110	0.6
243.03020	11.0
244.03534	1.4
244.31281	0.5
245.04520	0.7
254.02281	2.1
255.00327	0.5
255.03030	25.1
256.03412	1.9
271.02533	53.4
272.03055	5.1
273.04132	0.7
283.02600	1.0
299.02136	1.2
300.02814	67.3
301.03564	29.7
302.03934	1.4
447.09402	0.6
609.14734	100.0
610.15076	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	609.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02288	1.5
65.00211	2.1
70.01602	1.1
70.02000	1.6
70.09021	0.5
71.05769	0.4
81.42767	0.6
83.01275	1.1
89.85702	0.5
95.01349	0.6
107.01276	4.3
109.02851	2.3
111.47976	0.5
120.44978	0.5
121.02895	3.3
125.02376	0.6
133.02890	0.6
135.00763	0.7
147.35347	0.6
149.02390	1.6
150.99132	1.0
151.00302	15.8
152.00693	0.5
159.04504	0.5
161.02405	0.5
163.00276	1.5
164.01112	0.9
168.73952	0.5
169.01315	1.2
171.04489	1.3
173.02374	0.8
175.00311	1.9
175.03970	1.1
178.99759	2.8
183.04524	0.8
185.06013	0.8
187.04018	1.4
199.04013	4.7
201.01915	1.8
203.03358	1.1
211.03960	1.8
213.01801	0.9
214.02557	0.6
215.03468	2.6
223.80724	0.5
226.02647	1.8
227.03479	4.8
229.05016	1.5
231.03003	0.6
243.02991	7.1
245.04642	0.9
254.02325	1.1
255.02998	5.8
256.03525	0.9
271.02521	86.8
272.02963	6.4
273.03946	0.9
282.01767	0.7
283.02588	1.2
285.04114	1.0
299.02011	100.0
300.02640	20.5
301.03574	80.9
302.03894	6.7
313.03586	1.1
343.04657	1.8
350.69214	0.5
395.85425	0.6
447.09363	11.0
448.09906	1.3
462.08118	18.4
463.08853	22.1
464.09219	2.7
526.31073	0.6
609.14709	78.8
610.15039	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	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.1
59.01251	2.9
69.91761	2.8
71.01255	1.0
72.99200	2.1
74.67926	0.6
75.00764	21.8
83.01284	0.9
85.85757	0.6
87.00770	0.8
89.02306	2.9
93.03358	1.3
97.02846	1.0
98.20515	0.8
99.00769	0.8
107.04945	0.7
109.02863	3.2
111.00794	1.8
117.01834	1.4
117.03356	0.7
119.04906	0.6
121.02885	1.4
121.53229	0.6
123.00776	1.7
123.04440	2.1
125.02357	9.5
125.81728	0.7
133.02863	2.3
134.03677	6.1
135.02921	100.0
135.04376	6.2
136.03284	1.8
137.02367	4.2
139.00305	1.9
139.03973	2.2
141.01875	1.9
147.04431	0.7
149.02386	4.1
151.00331	1.1
151.03986	1.4
153.01888	2.5
161.02396	6.4
163.00317	1.6
163.03928	2.5
165.01929	2.8
167.03455	2.0
175.03973	2.3
177.01909	11.3
179.03503	7.1
181.01559	0.6
191.03622	1.0
193.01433	3.5
193.05003	6.8
203.03545	1.7
205.05209	0.7
215.03554	0.9
217.04987	1.1
219.02954	1.0
229.05156	1.0
231.03171	0.6
243.03053	1.3
243.06540	0.9
245.04572	1.6
255.03035	1.1
257.04825	0.7
259.02545	0.8
261.04095	1.0
271.02615	1.2
273.04379	0.7
285.04156	1.3
287.05515	1.1
289.03677	0.7
289.07288	1.6
297.06241	21.1
298.06613	1.5
299.02081	1.7
300.02863	0.7
301.03641	3.0
303.05258	2.1
305.06683	1.4
311.07770	2.9
321.06232	2.1
327.05246	0.7
407.07690	1.1
423.07513	1.7
439.07047	1.4
441.08722	0.8
457.07916	2.4
458.08469	0.7
463.08694	1.1
465.10263	0.6
609.14130	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	609.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01254	3.4
60.26330	0.6
60.99182	1.2
61.98716	48.5
62.11576	0.6
70.07784	1.7
70.08176	1.4
71.01264	7.6
72.99196	1.3
73.02849	1.6
75.00756	0.8
77.90417	0.7
78.95791	9.5
78.98474	3.9
79.95626	11.8
80.60501	0.6
80.96409	50.3
81.03310	0.7
83.01274	1.4
85.02834	2.7
87.00765	2.5
88.98698	5.1
89.02343	1.5
94.97974	12.7
96.95898	2.2
96.96846	1.1
97.02852	1.9
99.04424	0.8
101.02342	3.8
106.97997	2.5
109.02891	1.0
122.97475	4.1
125.02361	5.5
134.97520	4.4
136.99080	1.2
137.02368	3.4
148.99074	4.5
149.02365	0.7
150.03117	0.6
151.00276	2.6
152.98439	4.6
152.99641	7.1
153.01848	0.8
156.84645	0.7
159.04449	0.9
161.02367	1.6
163.00266	0.9
164.98589	10.3
165.01855	2.7
167.03439	0.8
178.99832	2.5
182.99599	2.2
197.11813	0.6
203.03532	0.8
206.99590	1.8
209.11827	1.8
211.13347	2.6
223.00357	0.7
223.17055	0.9
225.00746	17.4
233.11639	0.7
235.17050	1.9
241.01149	2.3
243.02773	0.7
253.09265	0.7
255.03001	3.7
271.02502	7.0
275.20163	2.0
293.21231	2.7
299.04507	2.0
300.02832	9.6
301.03503	4.7
311.22238	1.3
315.01382	1.5
315.04858	1.1
316.02161	1.1
337.78040	0.9
386.14536	0.9
536.30164	4.0
609.14838	10.4
609.25952	100.0
610.14972	2.0
610.26093	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	609.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
61.33519	0.3
61.98718	3.8
63.96122	1.3
69.03339	0.7
71.01265	7.6
71.01666	0.4
71.33588	0.6
73.02852	1.7
78.98479	5.7
79.95621	9.3
80.96406	64.0
81.03355	0.8
82.25934	0.3
83.01256	0.6
85.02850	3.0
87.00783	2.1
94.97979	15.2
95.01292	0.6
96.95892	1.1
97.02854	1.6
99.00784	0.6
101.02337	3.0
106.97967	2.4
107.82766	0.3
111.08031	0.4
113.02361	0.5
122.97480	5.1
122.98317	0.4
125.02351	3.5
127.03899	0.8
134.97502	4.6
136.99101	1.4
137.02379	0.5
148.99084	6.0
152.98569	7.6
155.55548	0.3
164.98581	11.4
167.00095	0.5
178.99940	0.3
181.16008	0.3
182.99635	3.1
188.98660	0.4
197.11824	1.3
206.99660	3.4
211.13411	0.4
225.00751	20.9
226.01021	0.9
243.01695	1.7
255.02805	0.3
270.51254	0.3
271.02457	0.9
299.04541	3.3
300.02698	1.3
301.03479	0.6
317.05637	0.6
326.17981	0.3
427.90408	0.3
497.71661	0.3
609.25940	100.0
610.26263	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16998	0.3
59.01255	1.5
61.98711	1.9
63.96125	1.4
69.03340	0.5
69.94479	1.9
71.01271	6.6
71.49878	0.3
72.67047	0.3
72.99203	0.4
73.02831	1.8
77.22306	0.3
78.98489	5.6
79.13374	0.3
79.94907	0.4
79.95623	14.4
80.96409	68.3
84.48711	0.4
85.02847	3.4
87.00773	2.4
91.00950	0.3
92.24368	0.3
94.97980	16.2
95.76873	0.3
96.95899	1.0
97.02870	1.9
98.20509	0.5
99.00779	1.0
101.02337	2.7
103.82747	0.4
104.76810	0.4
106.97991	2.8
109.02839	0.4
113.02362	0.5
122.97511	4.9
125.02357	3.8
127.03918	1.2
134.97517	4.5
136.99069	2.1
137.02419	0.4
148.99086	6.4
151.00360	0.4
152.97424	0.6
152.98576	7.2
153.98857	0.4
164.98579	13.9
165.01839	0.4
178.99942	0.4
182.99667	1.9
193.04796	0.4
197.11781	1.1
202.44580	0.4
206.99635	2.6
225.00749	21.6
226.01135	0.6
243.01912	1.5
271.02591	1.3
299.04581	3.4
300.02744	1.4
301.03558	0.5
342.82397	0.4
354.57947	0.4
393.47479	0.4
427.12869	0.6
481.17340	1.3
511.18762	0.5
609.25964	100.0
610.16455	0.8
610.26300	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	609.2697
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
54.83783	0.3
57.03315	0.7
59.01254	1.2
61.98714	18.9
69.03355	0.5
70.64388	1.1
71.01269	1.0
72.12212	0.4
73.02834	0.4
78.95791	54.5
79.95625	0.9
80.96389	3.1
82.95972	1.8
82.96861	0.3
94.97990	0.7
95.04944	0.5
96.95918	0.8
96.96861	10.6
96.97504	0.8
99.32787	0.4
101.02351	0.7
109.02851	0.5
109.06519	0.4
111.08035	0.6
113.09621	0.5
125.02324	0.9
137.02341	0.8
150.97939	0.9
151.00305	1.1
152.99518	61.8
153.99872	0.7
161.04559	0.4
164.35220	0.4
167.10747	0.5
171.00562	1.7
171.10149	0.5
178.99829	0.9
179.14392	0.9
195.13870	9.2
196.14528	1.0
205.12343	0.7
205.15976	0.7
211.13354	1.3
223.00119	7.0
223.13387	6.6
227.00317	0.6
228.13675	0.7
241.01213	21.2
242.01678	0.5
243.03059	0.7
255.02928	1.2
256.13205	0.6
259.02347	2.2
271.02612	1.8
275.20215	4.2
276.20499	0.6
291.63760	0.4
293.21283	32.7
294.21533	1.9
300.02759	3.6
301.03537	1.4
306.48764	0.4
315.01385	0.8
315.04913	7.7
316.01984	0.5
316.05432	0.5
333.06018	0.8
609.26837	100.0
610.27155	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	609.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78176	0.4
55.86859	0.4
57.03296	0.5
57.31824	0.4
59.01250	0.9
61.22631	0.4
71.57972	0.4
71.58321	0.6
78.06585	0.4
95.04923	28.8
96.05249	0.7
103.21663	0.4
103.25033	0.4
150.02882	1.1
167.10709	0.6
177.12891	0.5
179.14262	0.9
188.14844	0.4
189.05293	1.3
190.05461	0.4
195.13873	9.2
196.14508	1.4
205.12288	1.0
211.13313	0.8
223.13411	8.2
224.14090	0.4
228.13773	0.7
246.12379	12.6
246.14825	0.9
247.12767	0.7
256.13165	1.0
265.21683	0.6
271.02612	1.4
275.20233	4.2
278.11411	65.8
279.11765	3.9
293.21295	100.0
294.18326	0.5
294.21637	10.1
300.02884	1.7
301.03592	1.3
315.19467	31.8
316.19763	2.4
359.17905	0.5
572.32471	1.9
609.14941	3.0
609.41492	18.7
610.41699	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	610.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26343	1.5
53.81550	1.9
57.03323	1.9
59.01263	30.6
61.98717	77.2
63.99126	6.2
64.59176	1.7
70.24334	1.6
70.32873	6.0
71.01264	4.8
72.30432	1.5
73.02837	1.8
78.95817	12.2
78.98487	3.8
79.95621	6.3
80.96413	31.2
85.02864	3.2
88.98676	3.0
89.02325	1.8
89.40833	1.5
94.97966	7.5
96.08751	1.5
96.95909	4.7
101.02345	3.2
108.58186	1.7
110.01321	1.8
113.09634	2.6
117.86079	1.8
123.04572	1.6
125.02351	6.1
129.09117	3.0
134.97505	3.7
137.02382	3.1
148.99092	1.9
151.00264	3.7
152.98466	2.7
152.99525	4.8
164.98563	4.8
165.01849	1.6
168.04253	3.4
169.12285	2.9
181.12256	5.2
197.11809	11.1
199.13332	4.7
211.13370	19.0
224.06880	2.7
225.00726	9.0
226.01068	1.6
242.07974	5.1
267.53864	1.8
271.02475	4.8
272.02875	3.5
275.20395	1.6
293.21246	18.3
300.02887	4.5
301.03232	5.7
311.22363	53.0
312.22662	5.8
325.23917	1.8
465.22623	4.4
536.30060	100.0
537.30493	10.7
550.31543	2.0
553.28217	3.6
610.14917	8.2
610.26093	50.7
611.26733	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	611.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99095	0.7
57.03335	0.9
59.01252	4.1
59.97365	0.8
61.98713	3.0
63.02277	1.4
65.00216	2.8
69.23058	8.9
71.01268	3.4
73.02840	1.1
75.73606	0.8
83.01280	2.8
85.02842	1.8
87.00761	1.1
88.98683	1.3
89.02327	2.5
93.03362	0.9
96.95909	4.4
97.02821	1.0
101.02348	2.7
107.01302	6.8
108.02071	1.6
109.02853	3.0
113.02416	1.4
117.01885	0.9
119.04910	3.7
121.02847	4.8
125.02369	2.7
134.03638	0.8
134.06186	0.8
135.00841	0.8
135.02879	1.8
135.04442	2.4
137.02339	1.4
144.68265	0.9
148.01570	1.3
149.02489	1.4
151.00319	29.5
152.01039	0.9
163.00365	3.8
163.03979	3.0
164.01094	1.2
169.01398	2.7
175.04053	1.0
177.01906	1.2
178.99821	14.7
179.03461	1.5
181.05070	1.6
187.03984	1.1
191.05652	0.8
192.00613	1.4
193.01445	1.4
199.04013	1.4
199.40182	0.8
201.05463	0.8
203.03496	1.1
211.03952	1.5
211.13353	1.9
212.13821	0.9
226.02580	1.2
227.03546	2.1
229.05040	1.7
230.19624	0.8
231.04211	0.7
239.03654	0.9
243.03032	6.4
245.04614	2.5
250.07422	0.8
254.02455	1.7
255.03009	18.9
256.03485	1.3
271.02518	37.0
272.02960	3.6
273.04147	3.6
283.02634	2.9
285.04117	1.4
286.55591	0.9
299.01950	6.3
300.02802	97.8
301.03555	95.2
302.03897	6.9
313.03430	4.1
314.04388	2.3
346.03455	2.0
361.17944	0.8
366.18033	0.9
375.05106	1.0
377.19958	0.8
420.08661	1.1
421.09473	3.1
447.09418	100.0
448.09738	10.6
449.20163	0.8
465.08743	12.0
466.09048	1.6
567.15405	2.1
568.15460	0.9
611.14362	36.6
611.25946	4.6
612.14557	5.9
634.21777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	3.0
58.00480	5.0
59.01266	100.0
60.99186	6.7
61.98711	9.6
63.78469	2.4
69.03349	5.2
69.08432	2.3
69.46528	19.3
69.53647	2.1
71.01270	89.6
72.99197	6.5
73.02836	13.3
75.00797	3.2
78.10032	2.2
81.03332	3.8
83.01284	7.5
85.02843	22.5
87.00781	11.2
88.00269	2.6
88.98701	60.8
89.02338	88.5
93.03361	89.4
94.03723	3.2
95.01297	7.0
96.95919	8.0
97.02854	8.4
98.52958	2.1
101.02345	58.4
107.04963	4.2
109.02837	4.0
111.00806	2.8
113.02363	36.8
119.03422	43.0
119.04923	30.0
121.02885	67.6
124.07593	4.7
125.02379	46.5
131.03398	11.4
133.58162	2.2
135.02954	2.2
135.04454	7.4
137.02388	94.8
139.03831	2.7
140.46097	2.7
143.03448	14.2
149.04504	5.2
151.03961	8.7
153.02029	2.3
161.04518	18.4
163.03960	27.3
167.03482	4.6
179.03523	11.2
179.05589	31.2
197.06078	9.5
199.07632	4.6
202.01236	2.4
203.05559	3.2
209.03053	3.9
211.13458	3.6
211.41814	2.6
221.06689	27.1
224.57710	2.3
227.07143	55.3
228.07449	3.9
245.06732	2.7
263.07886	12.6
277.91397	2.7
281.06619	4.1
287.14032	16.4
301.02997	2.5
302.03625	2.9
323.09933	68.0
324.10245	4.7
399.14578	3.1
413.22012	3.9
443.12082	39.8
444.12244	3.1
445.13559	3.8
465.04935	4.1
480.80283	2.6
567.21082	3.4
611.23383	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	611.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.4
59.01264	100.0
60.01592	1.4
61.98717	0.5
62.02361	0.2
63.02273	0.3
65.00210	0.8
67.57563	0.2
71.01285	0.9
71.57246	0.4
72.99211	0.4
73.02833	0.3
75.00758	2.9
83.01276	0.6
85.02851	0.4
89.02345	1.0
95.01297	0.3
96.95906	1.2
97.02874	0.2
101.02380	0.4
107.01290	1.5
113.02384	0.5
117.01852	0.4
119.04927	0.4
120.41743	0.2
121.02850	0.2
124.01582	0.4
125.02338	1.9
125.23974	0.2
128.32036	0.2
135.02925	6.6
135.04420	1.7
136.03261	0.3
137.02382	0.5
147.04422	0.4
148.01643	0.3
151.00308	5.2
152.01073	1.2
153.01903	0.2
160.01619	0.4
161.02383	0.5
161.04570	0.6
163.00444	0.3
163.03999	0.4
169.01425	0.7
177.01936	0.3
178.99826	2.2
191.01834	0.3
193.01321	0.3
221.06763	0.3
242.09706	0.2
243.02956	0.3
255.03003	0.4
256.03326	0.3
257.03751	0.4
258.01855	0.2
264.60614	0.2
270.09113	0.7
271.02524	1.3
272.02985	0.7
273.03156	0.8
284.07190	0.2
285.11603	0.9
286.08585	0.3
287.02448	0.4
287.05832	0.8
293.04880	0.3
298.08685	0.4
299.09360	0.7
300.02850	1.9
301.03250	2.1
302.03473	2.2
303.04166	0.6
310.08890	0.3
311.09647	0.4
313.11234	0.4
314.08237	0.8
315.01569	0.3
316.02377	1.0
317.03287	0.9
324.10236	0.3
325.11008	0.5
326.07904	0.3
326.11716	0.4
329.10294	2.4
329.13843	0.3
330.11285	0.3
341.10388	3.0
341.13635	0.3
342.10788	0.5
344.12708	4.4
345.13275	0.8
356.12778	1.8
359.15085	16.8
360.15421	1.8
364.85297	0.2
367.03152	0.3
371.15051	11.5
372.15451	1.4
376.02359	0.3
377.02914	1.1
389.16318	0.3
391.05038	0.6
398.02979	0.5
398.52832	0.3
421.02072	0.6
426.55222	0.3
440.06000	0.3
448.04791	0.3
449.10950	1.0
462.05212	0.3
471.05783	3.3
471.55826	2.0
472.06418	0.3
479.06128	0.4
521.06830	0.9
521.57233	0.4
530.07214	0.5
552.08667	1.6
552.58881	0.6
611.15662	4.4
611.25842	2.8
612.15906	0.6
612.26538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61175	0.9
57.03315	1.2
58.00468	2.7
59.01263	48.5
59.08854	0.8
65.00205	1.2
71.01265	25.6
71.57378	1.6
71.57789	0.9
72.99187	3.5
73.40828	0.8
75.00750	3.7
83.01270	2.1
85.02835	7.2
87.00768	1.9
89.02335	22.3
95.01298	1.5
96.95887	2.8
99.03810	1.6
99.04417	19.9
101.02341	13.8
107.01266	1.9
109.02856	2.0
111.04424	1.2
112.22517	0.8
113.02364	9.8
119.03426	7.5
120.05166	0.9
125.02366	4.6
135.02919	5.5
135.04428	6.1
137.02423	2.2
137.79095	0.9
143.03419	1.2
149.02261	1.1
151.00294	10.4
153.01845	0.9
161.02338	1.6
161.04442	1.2
163.81932	0.9
165.59695	1.0
169.01355	1.1
178.99800	3.8
179.03310	0.9
179.05603	1.3
187.91066	0.9
189.12859	6.0
207.13889	35.8
208.14203	2.6
209.11745	3.6
217.01500	1.1
223.06161	1.5
224.63441	0.9
225.07613	0.9
225.15076	1.2
243.02904	1.3
251.12907	71.2
252.13286	4.0
259.02463	1.3
261.68320	0.9
269.14038	9.5
270.01770	0.9
271.02505	4.9
272.02817	1.5
273.03009	1.1
287.02032	2.9
287.05640	7.6
300.02805	1.6
301.03571	1.4
315.01456	1.4
316.02301	9.7
317.03030	16.9
318.03259	1.6
367.02750	1.6
367.53091	1.5
431.19293	86.9
432.19678	8.9
449.06516	10.3
449.20389	11.7
450.20416	1.2
476.86246	1.1
479.08215	6.1
611.15082	5.4
611.25598	100.0
612.26117	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	611.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61175	0.9
57.03315	1.2
58.00468	2.7
59.01263	48.5
59.08854	0.8
65.00205	1.2
71.01265	25.6
71.57378	1.6
71.57789	0.9
72.99187	3.5
73.40828	0.8
75.00750	3.7
83.01270	2.1
85.02835	7.2
87.00768	1.9
89.02335	22.3
95.01298	1.5
96.95887	2.8
99.03810	1.6
99.04417	19.9
101.02341	13.8
107.01266	1.9
109.02856	2.0
111.04424	1.2
112.22517	0.8
113.02364	9.8
119.03426	7.5
120.05166	0.9
125.02366	4.6
135.02919	5.5
135.04428	6.1
137.02423	2.2
137.79095	0.9
143.03419	1.2
149.02261	1.1
151.00294	10.4
153.01845	0.9
161.02338	1.6
161.04442	1.2
163.81932	0.9
165.59695	1.0
169.01355	1.1
178.99800	3.8
179.03310	0.9
179.05603	1.3
187.91066	0.9
189.12859	6.0
207.13889	35.8
208.14203	2.6
209.11745	3.6
217.01500	1.1
223.06161	1.5
224.63441	0.9
225.07613	0.9
225.15076	1.2
243.02904	1.3
251.12907	71.2
252.13286	4.0
259.02463	1.3
261.68320	0.9
269.14038	9.5
270.01770	0.9
271.02505	4.9
272.02817	1.5
273.03009	1.1
287.02032	2.9
287.05640	7.6
300.02805	1.6
301.03571	1.4
315.01456	1.4
316.02301	9.7
317.03030	16.9
318.03259	1.6
367.02750	1.6
367.53091	1.5
431.19293	86.9
432.19678	8.9
449.06516	10.3
449.20389	11.7
450.20416	1.2
476.86246	1.1
479.08215	6.1
611.15082	5.4
611.25598	100.0
612.26117	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	611.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43771	0.3
53.47092	0.4
59.01277	0.4
69.27911	3.3
78.95791	4.7
79.95610	2.3
96.95913	100.0
96.96819	8.5
98.02381	0.4
175.28606	0.3
176.69183	0.4
190.43747	0.3
240.07256	0.4
255.85535	0.4
277.21780	0.7
316.20859	0.3
351.06329	0.6
397.87930	0.3
438.71384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
59.01263	2.0
61.98715	1.6
68.23477	0.3
71.01248	0.5
71.06725	1.0
75.00768	0.7
78.95791	46.3
80.96410	0.8
82.96031	0.5
82.98850	0.3
96.95896	1.3
96.96856	9.8
97.06506	0.5
113.09643	2.0
117.54707	0.3
125.02339	1.3
137.02386	1.1
147.16443	0.3
150.97961	0.9
152.99519	56.7
153.99828	0.9
164.01088	0.5
165.01878	1.3
171.00540	1.6
177.12810	0.6
179.14365	1.0
181.12273	0.7
195.12053	0.8
195.13875	17.3
196.14276	1.1
205.19771	0.4
209.15752	0.4
223.00105	6.1
224.00365	0.4
241.01204	19.8
242.01485	0.4
259.02289	1.7
277.21777	13.6
278.22104	1.3
293.21411	0.5
295.22842	47.7
296.23160	4.4
315.04907	6.6
316.05109	0.5
333.06152	0.8
395.22168	0.4
514.60431	0.4
525.18976	0.5
566.58990	0.4
611.28473	100.0
612.28796	16.4
612.38849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09994	2.0
57.03354	13.8
57.03592	2.8
59.01262	6.0
60.74118	1.7
61.98719	8.9
71.58229	3.1
77.03851	2.4
81.03351	2.6
83.01292	9.8
89.02339	2.2
93.03369	4.7
95.01297	3.2
95.04937	3.8
96.95917	6.4
97.02863	5.6
99.04436	2.1
108.02107	2.7
109.02876	6.8
114.21162	2.2
121.02866	8.9
123.04449	2.3
125.01449	4.0
125.02374	79.4
134.32271	1.8
137.02377	87.0
138.02879	1.8
144.05673	2.2
146.03664	34.9
151.04050	2.1
159.04478	13.5
160.05267	8.2
161.05936	3.6
163.00333	2.3
164.01143	11.8
165.01888	100.0
166.02292	4.3
167.03455	24.4
171.10248	5.3
172.05301	3.7
173.06035	7.8
174.03207	6.6
174.06847	2.2
179.03459	6.8
187.04030	4.0
199.07596	2.3
201.05560	4.4
204.04210	3.4
209.06071	2.4
213.05589	2.1
225.05608	4.4
239.07080	3.8
249.11211	3.9
268.10907	2.0
269.11874	14.5
270.12714	6.1
271.10367	3.4
271.13425	24.9
272.13647	2.6
277.08875	2.4
283.13751	1.9
285.14951	7.4
287.13153	9.1
288.13562	2.4
289.14511	17.9
309.51114	2.2
319.09814	3.9
321.14767	2.6
357.93420	2.1
374.14450	1.9
379.22913	2.4
393.20743	5.2
395.22263	11.0
399.21759	5.8
411.22037	14.4
413.23483	45.8
414.23795	5.7
423.21671	4.7
435.21698	4.4
441.22861	11.1
453.22992	3.7
455.17160	8.5
477.22437	2.5
499.24750	4.0
517.26068	10.1
535.27100	8.2
543.23572	13.5
561.25061	21.0
579.26105	69.1
580.26514	12.8
615.23041	6.2
616.23920	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	615.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	2.8
59.01254	7.9
61.98714	6.6
71.01276	2.8
71.23414	4.2
71.23759	4.5
73.02801	2.9
78.95756	3.5
81.03379	3.7
87.00779	3.3
94.94834	2.7
96.95910	9.8
97.02877	3.2
110.56037	3.1
123.04447	3.7
125.02360	3.2
125.09662	5.4
133.82475	2.6
135.08104	3.6
137.09668	8.2
163.11182	7.1
171.10167	5.1
185.11784	16.1
191.14429	10.4
199.82539	3.2
207.10175	8.1
211.13356	4.4
225.11429	7.2
245.19193	19.4
289.18146	90.0
290.18597	8.6
307.19193	100.0
308.19547	12.6
310.99469	2.9
449.87979	4.1
487.40894	3.1
615.30542	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	615.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53168	1.1
57.03315	2.2
59.01267	2.7
61.98712	1.6
71.66293	1.1
78.58312	1.1
78.95773	2.0
80.96422	3.4
81.03350	2.0
83.04883	1.1
95.04921	2.6
97.02851	2.2
97.06502	2.1
98.19740	1.9
109.06498	2.9
121.06516	1.6
123.04425	3.6
123.08079	1.4
125.09676	5.4
135.08101	2.2
137.09645	4.0
141.05493	3.0
145.02863	1.7
153.09160	7.6
163.11256	8.6
171.10262	11.3
177.12871	1.5
178.99896	1.7
181.12306	1.9
185.11804	10.7
189.12852	1.5
191.14435	10.1
193.16013	1.1
195.10147	1.1
197.11795	1.3
207.10236	6.3
209.11827	5.6
217.15977	1.7
225.11330	4.5
230.25838	2.0
245.19142	21.7
246.19681	1.3
271.17090	2.1
289.18164	95.5
290.18436	8.8
307.19229	100.0
308.19598	8.6
318.96619	1.9
325.20255	25.6
326.20609	3.2
387.79318	1.2
555.28534	2.0
561.35175	1.3
579.36853	3.3
597.38159	3.7
614.75122	1.6
615.39227	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	617.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49006	0.3
57.03342	0.4
59.01274	0.4
69.03358	0.4
70.96885	0.7
71.04909	0.4
81.03338	0.4
83.04902	0.3
95.04943	0.5
97.02869	0.5
97.06467	0.4
109.06474	0.4
111.08067	1.0
117.03372	26.5
118.03746	0.8
119.04941	7.4
121.02895	1.6
123.04437	1.1
125.09658	0.8
133.02846	0.4
135.08031	0.5
137.09639	0.9
141.05518	0.4
141.12820	0.4
145.02885	95.8
146.03217	4.2
153.09120	1.7
162.03177	0.8
163.03967	2.3
163.11256	1.3
169.12271	0.6
171.10231	2.8
177.12712	0.4
181.12416	0.4
183.13853	0.4
185.11798	1.0
191.14412	1.2
197.11807	5.1
198.12093	0.3
199.13327	0.5
207.10248	0.5
209.11731	1.4
211.13364	0.5
225.11298	0.7
245.19121	3.6
263.20251	0.3
289.18158	12.0
290.18533	0.7
291.19708	1.6
307.19211	17.4
308.19547	1.3
309.20737	5.4
310.21228	0.5
325.20215	4.6
453.33896	1.2
497.32608	1.6
546.13519	0.3
573.39594	1.1
581.38495	0.6
599.39990	0.8
617.38593	100.0
618.38934	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	617.3857
Annotation	Zamanic acid
Peak:m/z	Relative Intensity
51.53695	0.3
59.01254	0.4
61.98712	0.4
65.79582	0.4
66.48662	0.3
69.66383	0.4
71.05347	1.1
76.18247	0.4
78.95810	0.8
96.95905	1.7
117.03369	27.3
118.03692	1.0
119.04933	15.5
120.05251	0.4
121.02866	2.3
123.04449	0.6
129.56352	0.3
145.02879	100.0
146.03233	4.8
147.66901	0.4
162.03168	1.3
163.03915	0.7
171.10210	0.4
208.47691	0.5
303.39423	0.4
307.19232	0.4
309.20731	0.7
320.96536	0.5
322.46457	0.4
421.49698	0.4
453.33563	0.9
497.32822	2.2
498.33304	0.5
617.38556	89.9
618.38861	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23795	0.5
57.03339	0.9
59.01270	1.3
70.76758	0.6
71.57310	1.2
78.92048	0.6
81.03370	0.6
90.30229	0.6
95.04929	0.8
97.06474	0.7
99.04473	0.8
113.09636	0.8
117.03366	22.5
118.03735	1.2
119.04939	7.2
121.02845	1.1
123.04436	1.1
125.09635	1.9
135.08113	1.0
137.09679	1.0
141.05475	0.9
145.02882	84.6
146.03218	5.1
152.99538	0.6
153.09131	2.1
156.16086	0.6
162.03206	0.6
163.03940	2.4
163.11243	1.5
165.12798	0.9
167.14413	0.7
171.10184	3.4
172.38228	0.6
181.12299	1.4
185.11812	1.6
191.14394	1.9
197.11835	1.4
207.10197	0.8
209.11824	3.3
211.13387	1.0
225.11269	1.5
225.57593	0.5
229.14435	0.6
231.39937	0.5
245.19121	3.8
247.20781	1.0
252.69989	0.6
289.18149	19.2
290.18570	1.6
291.19720	7.9
291.40421	0.7
307.19202	27.1
308.19434	2.7
309.20798	26.8
310.21130	2.4
325.20236	9.8
326.20596	1.0
373.00848	0.6
453.33661	1.3
469.33597	1.4
497.32834	0.9
573.39209	1.2
581.38660	1.4
599.39673	1.6
617.38531	100.0
618.38904	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	617.3859
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
65.79578	0.1
71.58334	0.2
71.58726	0.1
89.03865	0.2
93.03375	0.2
108.44290	0.1
110.09339	0.1
117.03375	27.5
118.03693	1.0
119.04942	7.4
120.05285	0.2
121.02879	1.7
123.04440	0.6
123.08022	0.1
125.09648	0.1
132.93085	0.1
133.02866	0.4
137.09628	0.1
145.02885	100.0
146.03230	4.0
146.04103	0.1
147.04530	0.2
153.09099	0.1
162.03188	0.5
163.03981	1.8
171.10249	0.3
197.11862	0.4
209.11838	0.2
245.19252	0.3
289.18173	1.2
290.18497	0.7
291.19180	0.4
307.19168	1.5
308.19547	0.8
309.20517	1.0
310.20966	0.1
325.20276	0.5
326.20480	0.3
423.28851	0.2
453.33838	1.0
454.34222	0.1
471.35043	0.2
497.32800	1.5
498.33380	0.3
617.38580	88.9
618.38928	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	617.3857
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.57983	0.4
51.21995	0.3
51.51278	0.4
52.16840	0.3
58.73748	0.4
69.27303	1.9
69.27731	1.8
95.87362	0.4
117.03374	24.7
118.03707	0.4
119.04937	14.6
121.02850	1.9
123.04433	0.9
131.72229	0.4
145.02881	100.0
146.03220	3.9
152.99525	0.7
162.03177	1.1
163.03964	0.8
197.11743	0.7
277.21637	0.5
289.18152	0.6
291.19809	0.6
307.19208	1.1
309.20779	3.0
323.18738	0.5
325.20267	0.6
395.13022	0.5
453.33704	1.1
497.32773	2.3
573.39435	0.7
589.62408	0.4
617.38568	83.2
618.38885	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	617.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
59.01281	3.2
61.13545	1.1
61.46826	1.4
68.20203	1.3
71.01281	2.5
71.57050	1.7
71.57816	1.4
75.83221	1.4
78.95806	2.1
81.03352	1.5
83.04915	5.6
84.02075	1.6
85.02847	1.7
95.04947	1.7
97.06484	4.2
99.08023	2.1
104.01453	1.2
109.06462	1.8
111.08085	1.8
115.07524	2.4
117.03363	3.1
125.05885	2.0
125.09655	3.7
127.07565	9.4
139.07495	1.4
145.02881	12.9
153.09120	3.5
155.10733	3.2
161.20102	1.4
163.11229	5.4
165.12776	5.4
170.06004	1.4
171.10205	4.7
175.19608	1.4
177.09279	1.7
178.09949	3.9
179.10713	2.1
179.37764	1.4
181.12318	1.4
185.11839	10.5
191.10764	3.0
197.11798	16.9
209.11821	83.0
210.12167	2.8
211.13376	2.1
219.01439	1.2
236.10573	1.6
237.11385	2.2
238.12085	5.9
245.19173	2.7
247.20836	2.9
251.16570	1.5
273.18643	2.9
279.19659	1.5
289.18237	9.9
291.19727	32.5
292.20184	3.2
307.19220	100.0
308.19601	7.4
309.20755	71.2
310.21011	7.7
325.20270	88.8
326.20709	6.3
581.38611	12.8
582.39240	2.0
599.39642	9.3
600.39813	2.5
617.39349	23.6
618.39288	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.0
59.01254	1.1
61.98687	0.3
69.03336	0.5
70.72890	0.6
71.01255	1.1
71.04893	0.7
75.45139	0.3
80.02556	0.5
81.03336	0.8
83.04903	1.8
84.02051	0.8
85.02868	0.4
95.04917	0.4
97.02843	0.5
97.06474	0.9
99.04380	0.4
99.08037	0.9
100.50719	0.3
109.06480	1.1
111.08049	1.3
115.07530	0.8
117.03389	0.4
121.02855	0.4
123.04383	0.5
125.05944	0.4
125.09629	2.0
127.07543	3.8
127.11199	1.1
128.56203	0.3
135.08043	0.8
137.09674	0.8
139.07568	1.1
141.05504	0.4
141.09241	0.5
145.02885	1.0
147.50035	0.3
149.09660	0.3
151.11197	1.5
153.09129	2.4
153.12794	2.1
155.10655	1.5
163.11224	1.7
165.12769	1.3
167.10765	1.9
169.12276	1.1
171.10231	2.2
178.09950	1.3
179.10687	0.6
179.14391	1.0
181.12315	3.2
185.11790	3.9
191.10735	1.0
191.14377	0.6
193.15973	0.5
197.11803	7.1
198.12009	0.5
199.13318	0.5
207.10323	0.6
207.13875	1.7
209.11807	22.8
210.12134	1.3
211.13380	1.7
213.11458	0.4
215.12880	1.1
217.15929	0.4
219.17448	0.3
225.11374	0.6
225.15120	0.5
227.12885	1.3
228.13704	0.7
235.20467	0.3
236.10518	0.6
237.11374	0.8
238.12054	1.2
241.14345	0.3
245.19142	1.7
247.20746	3.8
255.12514	0.4
256.13156	0.4
263.20126	1.5
269.53845	0.4
271.17401	0.4
273.18640	2.3
281.21326	1.8
289.18143	5.7
290.18634	0.5
291.19720	26.5
292.20056	2.5
307.19214	30.9
308.19604	2.3
309.20761	100.0
310.21103	7.8
325.04263	0.3
325.20239	25.1
326.20706	2.0
373.23569	0.4
403.28781	0.4
469.33411	2.4
470.33426	0.5
471.31009	0.6
478.95895	0.4
483.31259	0.3
489.32651	0.6
512.92267	0.4
537.39325	0.4
581.38629	4.2
582.38922	0.5
599.39539	4.8
600.40216	0.9
617.28931	0.5
617.40350	6.0
618.40826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.8
59.01254	1.0
65.87726	0.5
69.03320	0.7
70.48737	1.6
70.66628	0.5
83.04906	0.9
95.04945	0.8
97.02880	1.0
97.06478	0.9
109.06462	0.8
111.06814	0.5
113.09624	1.1
115.07555	0.7
117.03372	27.6
118.03740	1.2
119.04932	8.7
121.02859	2.3
123.04435	1.5
123.08082	0.9
125.09643	2.0
127.07597	1.0
135.08078	1.4
137.09659	0.9
139.11191	0.5
141.05486	1.2
141.09079	0.8
145.02881	99.6
146.03230	6.2
146.07095	0.5
151.11240	0.6
153.09134	3.8
163.03999	2.8
163.11232	2.4
165.12798	1.5
167.14445	0.8
171.10236	5.8
181.12297	1.7
185.11763	2.5
191.14442	3.8
193.12236	0.6
197.11830	1.1
207.10239	0.8
209.11809	3.4
211.13431	1.4
225.11327	0.7
228.42705	0.6
240.13499	0.8
245.19130	7.8
246.16685	0.5
246.19240	1.0
247.17023	0.5
247.20593	0.9
249.94199	0.5
250.30202	0.5
262.06409	0.6
263.20178	1.0
271.16980	0.6
273.18707	0.8
277.21759	0.8
281.21313	0.8
289.18137	25.2
290.18506	2.7
291.19678	12.1
292.20187	1.1
307.19186	39.1
308.19482	3.2
309.20761	33.9
310.21082	3.5
325.20261	13.4
326.20438	0.8
411.53470	0.5
445.29788	0.6
453.33920	1.0
469.33087	1.0
497.32739	2.2
581.38776	1.8
599.39673	1.7
617.38556	100.0
618.38910	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42505	0.5
52.83437	0.4
57.03333	1.9
59.01262	2.8
64.23441	0.5
64.90073	0.5
67.05407	0.7
69.03357	1.1
70.35420	0.5
71.01265	0.9
71.04903	0.9
71.97244	0.5
80.02592	0.9
81.03349	1.6
82.97590	0.5
83.04923	2.6
84.02077	0.5
93.03333	0.8
95.04928	2.5
96.71149	0.4
97.02855	2.4
97.05878	0.5
97.06503	1.9
99.04462	0.7
106.04161	0.8
107.04945	0.7
109.02871	0.7
109.06504	1.8
111.08069	7.9
112.05179	0.6
117.03363	1.9
119.04982	0.7
121.06506	0.7
123.04448	3.8
123.08051	1.7
125.06012	0.9
125.09634	5.2
127.07545	1.4
135.08093	3.4
137.09641	3.0
139.07509	0.6
141.05495	4.1
141.09123	1.2
142.02637	0.5
145.02890	7.0
149.06012	0.5
149.09654	0.7
151.11183	1.3
153.09149	9.5
153.12697	1.0
159.08034	0.6
161.09705	0.9
163.07503	0.6
163.11226	6.0
165.09149	0.8
165.12804	1.4
169.12296	3.5
171.10220	12.3
172.10564	0.5
177.12820	1.7
179.10669	1.5
181.12321	1.7
183.13857	1.2
185.11795	7.3
191.14355	8.3
192.14635	0.7
193.12314	0.8
197.11807	40.1
198.07648	0.5
198.12134	2.1
199.13374	1.8
202.13658	0.6
207.10304	2.9
209.11813	7.0
211.13382	3.9
217.15971	1.1
225.11331	3.8
226.12094	0.5
227.12831	1.4
229.16118	0.8
236.10579	0.6
245.19122	19.2
246.19395	1.3
247.16980	0.7
255.12463	0.8
258.21378	0.5
263.20279	3.3
265.18115	1.6
271.17130	2.3
279.19666	0.6
289.18152	73.5
290.18497	6.1
291.19714	6.6
292.20224	0.8
305.17627	0.6
307.19211	100.0
308.19556	7.6
309.20792	25.5
310.21112	2.1
325.20261	30.5
326.20453	2.4
381.90317	0.5
389.75858	0.5
427.28415	0.8
581.38623	3.2
599.39746	5.2
617.39246	8.6
618.39832	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	617.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
58.00470	0.7
59.01259	3.8
69.03362	1.0
70.01971	3.1
71.01270	0.9
80.02571	0.9
81.03347	1.5
83.04894	1.8
95.04893	1.4
97.02843	2.3
97.06487	2.3
99.08017	0.6
106.04095	1.1
107.82784	0.9
109.06493	1.7
111.08081	8.6
117.03355	2.7
119.04923	1.1
121.06445	1.0
123.04456	2.3
123.08133	1.4
125.09661	5.6
127.07574	1.0
135.08057	2.8
137.05969	0.9
137.09634	3.7
141.05502	4.2
141.09117	1.0
145.02884	12.5
151.11214	2.0
153.09137	8.4
153.12805	1.0
161.09557	0.9
163.07594	0.8
163.11238	6.2
165.12825	1.4
169.12265	2.4
171.10201	12.8
179.10721	0.9
179.93892	0.7
181.12306	2.1
185.11801	7.5
191.14391	8.5
197.11812	33.0
198.12125	2.4
199.13399	2.3
207.10228	3.0
209.11801	6.9
211.13446	5.5
217.15869	1.5
219.13808	0.8
225.11340	3.3
227.12898	1.3
245.19125	17.4
246.19485	1.5
263.20267	3.5
271.16992	2.1
289.14740	1.5
289.18146	72.4
290.18555	5.7
291.19739	8.9
307.19208	100.0
308.19504	8.5
309.20776	40.9
310.21280	3.9
325.20248	28.7
326.20612	2.8
427.28259	0.8
581.38770	2.9
599.39679	5.1
600.40094	1.6
617.38879	15.4
618.39136	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	617.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01259	2.9
69.03336	1.0
71.04890	1.6
76.68833	0.8
78.95805	1.6
80.02552	1.1
81.03352	2.4
82.92527	0.9
83.04904	1.9
88.64426	0.9
95.01292	0.9
95.04932	2.8
97.02850	3.3
97.06481	2.4
97.14751	0.9
98.03633	1.0
98.19965	4.3
109.06494	2.1
112.00182	0.9
121.02859	1.1
123.04444	3.6
123.08099	2.1
125.09647	8.4
127.07597	1.1
127.11262	1.0
135.08063	3.5
137.06061	1.8
137.09665	3.7
139.11226	0.9
140.70525	0.9
141.05505	3.4
141.12720	1.9
145.02888	1.3
149.06058	1.1
149.09631	1.1
151.11211	1.5
153.09151	9.3
163.07593	0.9
163.11241	8.8
165.09195	1.3
165.12811	7.8
171.10208	18.2
175.64140	0.9
177.12726	1.9
178.99745	1.0
179.14351	2.1
181.12300	3.2
185.11790	8.5
191.14345	8.4
193.15965	1.9
197.11888	3.0
199.34879	0.8
207.10258	5.2
209.11783	11.5
211.13396	2.6
217.15999	2.0
223.13458	2.1
225.11372	3.9
245.19147	18.2
247.20728	6.8
259.48468	0.9
263.20120	1.1
271.17133	1.6
273.18799	1.5
289.18173	77.7
290.18460	5.7
291.19733	42.6
292.20065	3.3
305.17587	1.2
307.19223	100.0
308.19547	9.3
309.20767	60.6
310.21088	4.7
325.20251	35.5
326.20605	3.1
427.28500	2.4
481.52725	1.2
581.38556	3.6
599.39551	4.7
617.21143	1.1
617.40356	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	619.2571
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
63.60157	0.5
73.86127	0.7
101.02364	0.6
131.12370	0.6
152.99548	0.8
255.23369	0.6
309.65857	0.6
401.13937	1.3
415.15811	2.3
416.16452	10.6
417.16782	1.6
429.17310	1.2
430.17905	1.4
431.18753	1.7
434.17484	0.6
436.33975	0.7
444.15778	1.2
458.17557	0.9
459.18338	100.0
460.18738	15.8
473.19870	15.6
473.26257	1.0
474.20566	7.0
485.16107	0.9
487.18341	0.9
499.18027	0.7
501.19479	1.7
503.17468	4.2
512.18597	0.8
517.19086	1.1
518.19690	52.4
519.20038	9.0
527.21118	0.7
532.21204	8.0
533.22028	92.6
534.22394	14.9
543.20306	0.6
587.23187	7.2
588.23914	1.1
619.25702	91.1
620.26031	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	619.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48949	2.5
56.66697	2.7
71.57006	3.3
71.57352	3.6
72.13078	2.3
78.95793	5.7
86.15183	2.5
87.53959	2.8
152.99564	3.7
255.23317	6.6
363.12280	3.2
416.16412	9.8
459.18320	100.0
460.18826	15.1
473.20187	17.0
474.20728	6.4
517.18970	4.1
518.19666	36.6
519.19843	6.6
532.21106	7.2
533.14368	5.5
533.22034	88.4
534.22406	10.8
587.23370	5.8
619.25714	92.1
620.26312	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
58.00474	0.4
59.01262	100.0
60.01595	1.2
60.99192	0.3
61.98718	0.7
67.82658	0.3
69.03341	1.9
71.01266	2.1
71.04899	0.5
71.59012	0.5
72.99178	0.6
73.02851	0.6
74.66650	0.2
75.00771	0.3
83.01278	0.4
83.04908	2.5
85.02848	0.7
85.51926	0.2
87.00787	0.7
89.02348	1.1
96.95916	1.9
97.06509	1.4
98.94653	0.2
101.02312	1.7
109.02882	0.4
111.04440	0.5
113.02368	0.7
117.97144	0.3
119.03376	0.3
119.04932	0.7
119.08572	0.3
125.02340	0.5
126.85762	0.3
127.15929	0.2
130.55544	0.2
135.02907	0.4
135.04460	0.6
137.02361	0.5
143.03362	0.3
151.03943	0.4
161.04410	0.4
163.03958	0.3
179.03429	0.2
179.05565	0.4
262.82495	0.3
331.20850	0.3
339.23254	0.5
347.23914	0.5
365.24960	0.4
373.25198	0.4
379.26804	0.4
391.26459	3.3
392.26880	0.5
405.28342	1.5
406.28290	0.3
409.27618	3.8
410.28033	0.7
415.26471	0.3
421.27652	0.6
423.29065	1.9
433.27438	2.2
447.29077	0.4
449.30502	0.7
451.28659	4.5
452.28961	0.7
453.26566	0.4
469.29645	1.1
471.31131	0.3
493.29684	0.5
495.27286	0.5
497.32626	0.4
499.30688	5.0
500.30585	0.6
511.30801	0.5
517.31781	0.4
519.33032	0.4
531.33344	0.8
559.32855	62.4
560.33191	12.0
577.28546	0.3
619.35266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
58.00485	0.7
59.01264	100.0
60.01633	0.8
60.99194	0.7
61.98729	1.1
63.87360	0.4
70.58937	1.4
71.01263	4.7
71.04912	4.1
72.99199	1.2
73.02834	1.5
75.00744	0.9
83.01299	1.1
85.02844	2.2
87.00784	0.6
89.02363	1.5
95.01294	0.5
96.95916	9.7
98.95504	2.1
99.00785	1.2
101.02341	3.4
113.02380	1.7
113.05930	0.4
119.03419	0.6
119.04939	1.0
125.02386	0.7
135.02954	0.6
135.04414	0.8
137.02417	0.5
161.04503	1.0
163.03943	0.6
169.11792	0.4
179.03461	0.8
237.12898	0.5
239.14351	0.4
257.15500	1.5
258.15750	0.4
263.16733	0.5
304.80396	0.4
379.26443	0.6
389.28940	0.4
407.29736	2.0
423.29272	0.9
425.30969	1.8
435.29199	3.6
449.30917	0.8
453.30234	6.5
454.30563	0.9
467.31616	1.0
469.29919	0.8
485.32898	0.7
497.29053	0.8
511.30884	0.7
513.32074	0.9
533.35193	0.5
561.34454	78.6
562.34772	13.4
577.32855	0.6
621.19470	0.4
621.30615	0.9
621.40466	7.1
622.40564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1633
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
59.01268	2.0
63.05674	0.4
65.00210	0.6
69.52208	2.1
69.52634	1.3
71.01255	0.9
83.01272	0.9
96.95891	1.1
98.19839	0.8
107.01275	1.5
125.02347	1.0
135.04449	0.6
145.02875	1.2
146.15044	0.4
151.00317	5.0
151.03970	0.8
159.04456	0.6
163.00327	1.0
163.03987	0.9
166.19655	0.4
169.01358	0.4
171.04494	0.5
174.03244	0.6
175.03941	1.2
178.99799	1.8
179.03387	0.6
182.03751	0.5
183.04503	0.9
187.03888	0.7
189.05524	0.5
190.06462	0.6
191.07072	0.5
193.05086	0.5
199.03983	3.8
200.04550	0.8
201.01973	0.6
203.03487	0.6
205.08611	0.8
208.07339	0.6
211.03943	0.5
215.03481	1.8
216.04262	0.5
226.02721	0.8
227.03523	5.0
228.03996	0.5
242.02248	2.7
243.03006	24.7
244.03540	2.8
254.02202	1.3
255.03027	15.0
256.03607	1.3
257.04651	3.6
259.06113	0.9
270.01776	3.5
271.02530	43.2
272.03165	5.9
285.04120	5.7
286.04724	2.0
287.05630	1.8
299.02029	39.4
300.02783	38.0
301.03183	3.1
313.03598	0.8
314.04373	34.1
315.05148	100.0
316.02182	0.9
316.05502	7.9
357.06290	0.8
389.16187	6.2
418.03375	0.6
472.31393	0.6
623.16278	94.0
624.16547	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	623.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19930	0.4
54.64640	0.4
59.01265	100.0
60.01599	1.0
61.98714	2.4
69.41618	0.6
69.42015	3.0
71.01263	2.2
72.99200	0.7
73.02840	0.7
74.56638	0.3
75.00769	0.5
76.02798	0.4
78.95808	0.4
80.96408	0.6
83.01290	0.8
85.02863	0.8
87.00793	0.6
88.98718	0.6
89.02346	1.2
93.03391	0.7
96.95918	2.9
98.95495	0.4
99.00826	0.5
101.02344	1.4
108.02101	0.3
109.02841	0.5
113.02306	0.9
119.04919	1.6
121.02892	0.5
123.04448	0.4
125.02371	1.3
135.02892	1.2
135.04433	2.2
137.02380	1.1
145.02907	0.7
149.02448	0.4
150.03218	0.4
151.00311	0.9
151.03926	0.7
153.01895	0.5
161.02362	0.6
161.04480	0.6
163.03964	1.1
165.01910	0.4
177.01910	0.8
179.03491	1.2
187.03973	0.4
189.01920	0.5
193.04996	0.7
224.04776	0.5
243.02991	0.4
255.02957	0.4
255.10307	1.7
266.05920	0.6
269.11890	0.4
270.12784	0.6
283.09836	8.5
284.10193	0.9
287.02344	0.5
294.09006	0.8
295.09860	1.2
296.10403	1.0
297.11197	0.9
298.12250	1.4
299.02191	0.7
300.02786	0.5
309.11282	0.7
310.12241	1.1
311.09329	25.4
312.09607	2.0
314.04633	0.6
315.01593	0.6
325.10904	5.6
326.11658	23.0
327.11996	2.3
341.14005	79.6
342.14380	8.0
373.25931	0.5
461.12564	2.6
623.16846	0.4
623.32404	1.5
624.32941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22150	0.2
57.03343	0.5
59.01270	1.4
63.02282	3.3
64.80299	0.2
65.00204	4.6
65.00520	0.3
69.89467	1.0
71.01276	1.1
72.99202	0.3
75.00794	0.3
83.01276	4.0
84.01669	0.2
85.02853	0.6
87.00761	0.3
88.98693	0.3
89.02332	1.1
93.03372	0.3
95.01309	0.5
96.95954	0.4
99.00822	0.4
101.02376	0.6
107.01295	9.9
108.01603	0.2
109.02863	4.4
111.00838	0.4
113.02360	0.5
119.03391	0.2
119.04933	0.4
120.99579	0.4
121.02930	0.2
123.00808	0.5
124.01579	1.7
125.02372	3.4
133.02859	0.4
135.02931	0.7
135.04451	0.5
137.02371	6.2
145.02861	0.5
149.02412	0.3
151.00307	40.7
152.01112	4.3
153.01828	0.7
161.02400	3.0
162.03162	0.2
163.00304	1.1
163.03941	0.8
164.01141	0.5
165.01897	0.9
167.03430	0.4
169.01373	6.7
173.02428	0.4
175.00357	1.1
175.03886	0.3
176.01135	0.5
177.01872	1.6
178.99818	46.2
180.00177	2.4
181.01373	0.4
183.04460	0.4
187.03986	0.3
189.01953	1.7
190.02701	0.4
190.99817	0.3
191.03448	1.0
192.00650	1.5
193.01381	1.7
195.04433	0.2
197.06058	0.5
199.03976	0.7
199.13373	0.4
203.03433	0.3
209.11810	2.0
211.03957	0.7
212.04706	0.3
213.05560	0.4
214.99731	0.2
215.03558	0.4
217.01436	2.5
218.02219	0.5
224.04762	0.3
225.05536	0.9
227.03481	1.6
227.12888	1.9
228.04280	0.3
229.04962	0.6
231.03122	0.3
237.01935	0.4
237.05496	0.4
239.03476	0.8
239.56778	0.2
240.04216	1.0
241.05103	1.1
242.02232	0.3
243.02988	1.3
244.03525	0.4
253.05089	2.0
254.05513	0.2
255.00577	0.4
255.03020	3.8
256.03760	1.8
257.04584	2.2
259.02460	0.7
263.03479	0.3
267.02878	0.3
268.03830	0.3
269.04605	1.1
270.01855	0.3
271.02542	2.8
272.02939	0.7
273.03845	0.4
279.02988	0.5
280.03796	0.3
281.04590	0.9
282.01791	0.5
283.02554	2.5
283.05743	0.5
284.03168	1.0
285.04022	0.9
287.01950	0.9
289.03632	0.4
289.07120	0.3
293.26968	0.2
295.02518	0.9
296.03247	0.9
297.04092	8.4
298.04480	1.1
299.01974	2.3
299.05612	2.3
300.02646	1.4
300.05588	0.3
301.03442	1.7
302.03540	0.3
307.02542	0.4
309.04056	1.1
311.02017	1.3
312.02844	0.4
313.03406	0.4
314.04272	0.5
315.01483	0.4
315.05002	1.3
316.02231	2.8
316.05408	1.0
317.03061	55.6
318.03397	4.4
324.02728	0.6
325.03638	2.1
326.04236	0.4
327.01428	5.2
327.05130	2.2
328.01804	0.6
328.05600	0.3
335.01889	0.4
341.03082	1.0
342.04004	0.3
343.04614	0.5
353.03140	1.2
356.01962	0.2
364.79132	0.2
369.02573	6.7
370.03024	1.5
389.16083	0.5
390.16431	0.7
391.16782	0.4
397.13385	1.0
415.14398	0.5
418.02954	0.3
419.03949	0.4
437.05258	0.3
461.05063	0.5
462.05579	0.5
463.06812	4.3
464.07138	0.4
479.06284	100.0
480.06631	13.1
539.58240	0.3
625.11804	15.4
625.27881	0.5
626.12177	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	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25543	0.2
59.01261	0.7
63.02282	0.6
65.00210	0.7
71.01266	0.4
81.03339	0.2
83.01295	0.6
84.39129	0.2
89.02339	0.2
101.02316	0.2
107.01289	2.2
109.02866	1.3
123.00800	0.3
124.01573	1.3
125.02363	0.7
131.48209	0.2
135.00761	0.2
136.01582	0.2
137.02373	4.9
143.75186	0.2
148.01656	0.2
149.99490	0.2
151.00302	10.2
152.00961	0.6
163.00322	1.0
164.01080	0.9
165.01881	0.3
169.01366	0.7
178.99809	8.6
179.03346	0.2
180.00136	0.3
189.01802	0.2
190.99815	0.2
192.00635	0.8
193.01414	0.5
195.67157	0.2
197.02637	0.2
199.03983	0.3
203.03479	0.5
204.04153	0.2
209.11803	2.2
214.02711	3.5
215.03299	0.6
227.03534	0.7
227.12912	0.8
231.02866	0.2
232.03761	0.4
242.02232	2.6
243.03032	1.8
244.03506	0.2
255.03223	0.2
259.02533	3.1
260.03159	0.2
261.04227	0.3
270.01758	3.9
271.02527	21.5
272.02948	1.4
287.02026	11.5
288.02563	1.4
289.03397	0.3
299.02057	0.5
301.03531	0.6
315.01532	1.3
316.02283	67.3
317.02988	30.2
318.03397	2.2
397.13586	0.8
415.14520	0.8
417.20627	0.2
463.08890	100.0
464.09198	10.5
479.08377	4.4
480.09027	0.5
625.14166	6.7
625.25403	0.4
626.14587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
51.59864	0.4
60.73177	0.3
63.02283	0.4
65.00211	0.6
68.42237	0.4
69.52587	2.9
70.50665	0.4
70.98796	0.4
75.99731	0.4
92.05389	0.4
106.46092	0.5
107.01305	1.5
109.02827	0.5
124.01579	1.8
125.02356	0.6
136.01555	0.4
137.02354	1.7
151.00314	6.2
152.01057	1.2
161.02452	0.4
163.00343	1.1
164.01100	1.5
169.01407	1.2
175.03955	0.4
178.99823	6.9
193.01367	0.4
199.03990	0.4
203.03513	0.9
204.04195	0.6
214.02727	5.4
215.03424	0.6
227.03465	0.8
231.03023	0.4
232.03865	0.5
242.02240	4.8
243.02969	3.2
244.03604	0.5
259.02521	4.6
260.02951	0.9
270.01727	6.2
271.02527	36.9
272.02811	2.7
287.02048	22.7
288.02515	2.6
289.03445	0.5
299.01923	0.6
313.03860	0.5
315.01556	0.9
316.02292	100.0
317.02908	18.3
318.03220	0.6
625.14221	81.3
626.14606	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96891	0.4
63.02308	0.5
65.00217	1.0
70.90943	0.6
71.14272	0.4
72.85028	0.3
79.16837	0.3
83.01271	0.9
83.79606	0.4
90.43409	0.3
93.03347	0.4
100.95332	0.4
107.01292	2.0
109.02888	1.5
121.02876	0.7
125.02414	1.0
133.02837	0.7
135.02890	0.9
147.00897	0.4
151.00307	8.0
152.00946	0.4
161.02367	0.4
163.00299	0.7
165.01796	0.5
171.04430	0.9
175.00323	1.4
175.03973	1.1
178.99837	1.4
183.04372	0.5
185.06081	0.4
187.04056	1.0
189.01976	0.6
199.03993	3.6
201.01883	1.1
201.05586	0.5
211.04060	0.7
215.03477	2.6
216.04277	0.4
216.22897	0.4
226.02724	1.1
227.03542	3.9
229.04987	0.5
240.53580	0.4
243.03059	4.6
254.02283	0.5
255.02946	2.9
271.02524	63.0
272.02911	4.6
282.01801	0.6
285.04034	0.6
287.01898	0.8
299.02020	100.0
300.02600	17.2
301.03580	42.6
302.03885	3.8
313.03586	1.0
315.01370	0.5
316.02100	0.5
343.04626	1.3
462.08127	21.2
463.08893	29.5
464.09222	2.6
505.09805	1.0
625.14197	81.2
626.14478	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	625.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61283	0.4
65.00203	0.7
70.95540	0.9
70.95909	0.9
73.00367	0.4
75.13670	0.4
76.94305	0.4
78.81219	0.4
83.01305	0.6
107.01257	1.0
109.02855	0.9
119.04927	0.8
125.02374	1.3
135.02893	2.0
137.02353	1.5
147.04608	0.4
151.00298	5.3
161.02371	0.4
163.00342	1.0
163.03970	1.2
164.01135	0.6
165.01913	0.5
169.01353	0.5
171.04433	0.6
173.02432	0.5
175.00255	0.9
177.01765	0.6
178.99812	0.9
182.30908	0.4
186.87628	0.4
187.03987	1.6
187.87688	0.4
190.99940	0.5
191.03477	0.5
199.04108	0.5
201.02025	0.6
203.03491	2.4
213.01947	0.8
214.02690	0.5
215.03503	2.7
217.01424	0.5
219.02921	0.5
231.02963	1.9
241.01486	1.9
242.02316	0.9
243.03064	4.0
259.02505	5.7
260.02917	0.6
271.02518	3.8
287.02020	47.4
288.02423	4.4
289.07190	0.5
297.00421	0.5
299.02060	1.4
301.03497	0.8
315.01520	100.0
316.02063	13.7
317.03076	18.0
318.03482	1.0
329.03119	0.6
463.09045	2.7
478.07611	24.9
479.08237	9.1
480.08414	0.6
625.14191	81.5
626.14532	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58051	0.3
55.01777	0.4
57.03336	0.6
59.01262	2.1
59.61818	0.3
60.40679	0.3
61.98711	1.6
63.96127	0.9
65.05659	0.3
69.03335	0.8
69.29439	3.2
71.01271	6.7
72.99208	0.3
73.02836	1.8
75.00754	0.6
76.29568	0.3
78.98479	4.1
79.95621	18.3
80.96407	49.8
81.03342	0.8
83.01270	0.7
85.02843	2.2
87.00769	2.2
88.98699	1.6
89.02358	0.7
94.97981	12.0
96.95924	1.6
97.02885	1.4
99.00759	0.6
101.02338	3.2
101.05919	0.3
101.53684	0.3
105.52485	0.3
106.97970	2.7
109.02845	0.5
113.02364	0.7
114.94202	0.3
119.03376	0.3
119.04942	0.4
120.99635	0.3
121.02846	0.3
122.03674	0.4
122.97498	4.7
125.02361	3.5
127.03916	0.8
133.02876	1.0
134.03616	0.5
134.97507	4.2
135.02919	0.7
135.98129	0.3
136.99017	1.5
137.02374	0.6
148.99081	4.8
151.00298	0.3
152.98555	5.7
152.99673	0.6
153.01830	0.4
161.02422	0.5
161.04504	0.4
163.03914	0.5
164.98584	9.7
167.00294	0.4
168.00566	0.3
171.10257	0.4
176.98454	0.4
177.01872	1.2
178.02670	1.0
178.99962	0.3
179.03456	0.4
182.99663	2.2
185.62823	0.3
193.04991	0.4
197.11789	0.7
206.99680	3.3
209.11769	0.7
225.00739	20.2
226.01033	0.7
241.00224	0.4
243.01790	1.9
257.08228	0.4
271.02237	0.4
289.06894	0.4
299.04471	3.6
315.04214	0.3
316.02316	1.2
325.31900	0.3
371.06570	0.9
385.08087	0.6
399.09824	0.5
412.90176	0.3
413.11026	0.3
427.12991	0.4
441.14310	1.5
463.09036	0.8
481.17404	0.3
509.17056	1.5
529.63342	0.3
551.27826	0.5
555.17615	0.4
625.25439	100.0
626.25714	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	625.2646
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01267	4.0
61.98725	2.9
65.98811	0.6
71.01267	2.0
71.56246	0.7
71.56662	0.6
73.02816	0.7
74.19682	0.6
74.61074	0.7
75.00755	1.2
78.95789	50.2
79.46635	0.5
80.96365	0.9
83.01280	1.0
83.04897	0.7
85.02840	1.2
88.98693	1.7
89.02312	1.7
96.95892	2.2
96.96855	7.9
97.06476	1.0
99.86935	0.6
101.02341	1.8
111.08073	5.3
116.92752	2.3
119.03468	0.7
120.99559	0.7
125.02356	2.0
127.07521	0.7
128.19696	0.6
135.04474	0.8
137.02383	1.4
138.59323	0.6
151.03996	0.8
151.11205	0.8
152.99524	48.9
153.99901	0.7
165.12799	0.8
169.12267	4.1
171.00542	1.1
178.99783	0.7
179.03426	0.7
181.12326	1.8
183.13864	0.7
193.12320	0.8
197.11818	30.3
198.12181	1.6
199.13301	1.0
209.11746	2.9
211.13443	4.0
223.00137	5.1
240.13652	0.7
241.01201	20.9
241.04970	0.9
247.20566	0.9
259.02277	1.3
263.20221	1.5
271.02618	0.7
273.18539	1.0
282.45413	0.6
289.07205	0.6
291.19720	7.9
309.20776	19.1
310.21173	1.3
315.04889	5.6
316.02307	2.1
331.92395	0.7
333.05984	1.0
463.20950	1.2
625.26373	100.0
626.26630	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	625.2656
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.13422	0.7
56.63186	0.6
57.00263	0.5
57.03338	0.9
59.01262	9.0
61.98717	5.6
65.00201	0.7
71.01270	3.6
73.02833	1.3
75.00760	1.5
78.95790	47.8
79.95612	2.4
80.96404	2.7
83.01246	1.2
83.04896	0.7
85.02808	1.8
89.02331	2.3
96.95914	16.1
96.96848	9.5
97.02860	0.8
99.04445	0.9
101.02322	1.8
109.02809	0.7
111.08054	8.6
112.63403	0.7
113.02378	1.1
116.92810	3.4
119.03416	0.7
120.99576	1.2
121.02840	0.7
125.02333	2.5
135.02963	0.8
135.04416	1.1
136.91592	0.7
137.02353	1.7
150.97899	1.2
151.00227	1.6
151.11237	1.1
152.99518	50.9
153.12756	0.9
161.02379	0.7
163.03937	1.1
163.11241	1.0
165.12799	0.8
167.03337	0.7
169.12268	4.1
171.10129	1.0
178.06305	1.4
178.99817	1.5
179.03462	1.2
179.10663	1.0
181.12320	1.0
183.13795	0.8
197.11795	36.3
198.12117	2.1
198.13989	0.6
199.13284	1.7
209.11794	4.1
211.13417	3.9
221.47003	0.7
223.00089	5.1
225.00612	1.1
227.12918	1.1
240.98752	1.3
241.01180	21.9
247.20695	0.9
258.02002	0.7
259.02274	1.7
263.20139	1.4
271.02554	0.8
279.06857	0.8
291.19736	7.1
300.02557	0.8
309.20758	13.8
315.05017	6.2
316.02173	1.6
469.79788	0.7
589.15680	1.6
625.26306	100.0
626.16083	1.5
626.26666	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	625.2688
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.24306	0.8
69.80833	4.0
80.96380	0.7
86.66380	0.7
93.66306	0.8
98.19927	1.4
98.34449	0.8
116.92778	1.4
146.87082	0.8
158.39018	0.7
200.36739	0.9
213.10332	8.9
215.12009	0.8
233.77356	0.8
297.12634	1.1
299.14044	1.0
327.10007	0.9
328.11069	1.5
342.12512	0.8
346.15811	0.8
347.27408	0.8
385.14047	1.5
398.14957	1.3
405.13950	1.3
418.10516	1.0
432.12076	1.0
433.12897	4.5
434.13721	1.8
439.21567	1.1
447.14703	4.5
448.15469	10.1
449.16153	8.0
463.17850	21.5
464.18396	5.4
465.19531	1.3
465.44641	0.8
476.15024	1.1
477.19376	2.7
478.19803	2.7
479.21048	14.2
480.21313	2.8
490.16544	1.0
491.17282	31.4
492.17667	4.9
493.21960	1.2
503.17297	1.0
505.18839	3.7
506.19635	7.5
507.20203	3.1
519.20355	1.2
520.21307	2.9
523.19965	3.4
524.20850	0.9
538.22345	26.5
539.22925	9.8
540.23193	1.0
593.24139	5.7
594.24646	1.3
625.26776	100.0
626.27087	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	625.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03314	0.5
58.00470	0.5
59.01263	15.4
65.00192	0.3
67.31290	0.2
68.99696	0.3
69.03326	1.1
69.65760	0.5
69.66173	1.2
71.01267	14.0
71.04876	0.3
72.99194	1.5
73.02826	2.1
75.00748	0.4
75.64521	0.2
80.02570	1.6
81.03341	2.7
83.01276	1.9
83.04914	6.3
84.02061	1.4
85.02830	3.1
87.00768	2.6
89.02336	13.4
91.03931	0.4
93.03360	0.6
94.89116	0.2
95.01273	1.0
95.04910	1.1
95.87728	0.2
97.02835	2.3
98.20526	0.4
99.00765	0.8
101.02341	12.1
107.01275	0.4
109.02855	0.5
109.06482	0.3
110.00001	0.6
111.00773	0.7
111.04404	0.6
113.02343	5.2
119.03410	4.4
121.02841	0.5
122.99158	0.3
123.00796	0.3
123.04475	0.3
124.01563	0.4
125.02356	5.0
125.05968	0.7
125.09586	0.3
127.59036	0.2
129.01888	0.3
131.03412	0.6
135.04413	0.3
135.08035	0.7
137.02367	0.4
139.00310	0.8
139.03889	0.4
141.01830	0.4
143.03444	2.0
147.11723	0.3
148.01625	0.2
149.04477	0.6
151.00282	1.9
152.00990	0.4
161.02307	0.4
161.04489	2.3
163.11237	5.2
164.11639	0.4
165.12788	3.2
165.99033	0.5
166.13141	0.3
167.03412	0.3
169.04922	0.2
175.03877	0.3
178.99796	1.6
179.05554	2.6
181.12309	0.6
185.04422	0.3
187.03882	0.3
188.04318	0.2
191.10696	1.5
199.03976	0.3
199.13359	1.0
201.15129	0.2
203.03522	0.3
209.11804	100.0
210.12146	6.1
214.02725	0.5
215.03481	0.4
217.07237	0.3
221.06670	0.7
227.03596	0.4
227.12885	21.7
228.13197	1.5
229.14424	0.4
235.08218	4.6
242.02284	0.7
243.02975	0.9
245.06737	0.3
250.29932	0.2
251.12985	0.3
253.09251	1.1
255.03015	0.7
259.02509	0.9
263.07681	0.7
270.01761	0.8
271.02463	4.3
272.03125	0.9
273.04007	0.3
277.09610	0.5
287.02078	1.7
287.07721	1.0
288.02728	0.7
299.02023	3.4
300.02832	1.5
301.03610	0.7
305.08813	1.1
315.01492	0.4
316.02274	7.7
317.02893	2.5
323.09897	0.4
328.09344	0.3
379.11996	0.3
397.13559	32.4
398.13828	2.9
403.14130	0.7
415.14630	17.6
416.14902	1.4
463.09021	0.9
580.97485	0.3
607.13110	0.6
607.26190	0.6
625.14325	10.1
625.26880	1.6
626.14648	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	627.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40337	0.4
59.01248	0.9
61.98690	0.6
65.00194	0.7
69.31921	3.1
71.01241	0.5
80.96407	0.4
83.01247	0.7
85.02802	0.4
88.98699	0.4
96.95887	0.7
107.01248	1.3
108.02084	0.5
109.02827	1.4
113.57160	0.3
115.50619	0.3
119.04884	0.4
120.08083	0.7
122.03385	0.4
123.04395	0.7
124.01531	1.4
125.02296	0.7
135.00743	1.1
135.02873	0.5
135.04395	0.9
136.01616	0.4
137.02379	3.4
139.48860	0.4
142.35083	0.3
151.00294	7.3
151.03848	0.4
152.01024	0.8
153.01826	1.2
161.02319	0.4
163.00287	1.3
164.01041	1.5
164.07100	0.8
165.01834	0.4
169.01349	0.6
174.03162	0.3
175.03900	0.4
177.01833	1.0
178.99815	8.1
179.03377	1.1
187.03949	0.4
189.01886	2.1
190.02573	0.6
191.03423	0.4
192.00645	0.5
193.01527	0.4
203.03389	1.0
214.02705	3.9
215.03343	0.5
217.01353	1.7
219.02910	0.5
227.03442	0.9
231.02937	0.6
242.02226	4.3
243.02916	2.4
259.02496	3.8
270.01764	6.3
271.02524	30.0
272.02878	1.9
287.02032	17.5
288.02530	2.3
289.07318	0.4
299.02081	0.5
301.03439	0.4
301.13428	0.4
315.01523	2.7
316.02289	94.1
317.02933	25.6
318.03421	1.1
329.03070	0.8
341.06805	3.2
462.08316	1.0
463.08917	100.0
464.09201	10.4
465.12048	4.1
466.12540	0.6
627.13684	8.9
627.26355	0.7
628.14471	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	627.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26875	0.5
59.01264	2.2
63.02280	1.4
63.60248	0.6
65.00210	2.2
69.79020	1.6
69.79459	2.7
71.01263	1.0
80.96425	0.8
81.03374	0.6
83.01277	1.7
85.02845	1.3
88.98698	1.7
90.93622	0.6
93.03379	0.7
96.95903	1.3
107.01301	5.6
108.02088	1.2
109.02869	2.8
112.76669	0.6
119.04948	1.0
121.02876	5.3
123.04431	1.5
125.02345	1.2
127.31059	0.6
135.00793	0.8
135.02913	1.4
135.04443	9.8
137.02370	1.5
145.02852	0.9
148.01598	1.4
151.00311	26.8
151.03978	1.3
152.00716	1.1
161.02351	0.9
163.00337	3.2
163.03961	0.9
164.01155	0.9
165.01828	0.7
169.01376	1.8
177.01932	1.1
178.05005	0.8
178.99843	14.8
179.03465	2.1
187.03990	1.0
189.01880	2.8
191.03499	0.7
193.01387	1.2
199.03967	0.8
203.03520	1.5
205.04977	0.6
211.04019	1.3
217.01414	2.3
219.03081	1.2
223.05992	0.7
226.02678	0.6
227.03485	2.5
229.05058	1.8
231.02917	0.8
239.03600	0.8
243.03035	7.0
245.04607	1.4
254.02151	1.2
255.03035	18.9
256.03546	1.8
257.04730	0.9
271.02533	36.6
272.03006	3.9
273.04114	2.1
283.02646	2.0
299.02008	6.6
300.02814	85.5
301.03571	100.0
302.03949	5.7
313.03613	2.4
341.06741	5.3
437.08621	1.4
447.09415	91.4
448.09750	9.8
463.06915	18.9
464.07666	2.0
465.12329	7.8
466.12225	1.2
481.07861	21.1
482.08185	2.6
627.13696	32.2
627.26257	2.1
628.13947	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	627.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	34.8
60.14821	0.6
65.03848	2.4
67.01788	1.0
68.99718	0.6
71.01258	0.8
71.58234	0.6
71.58683	0.6
75.00757	1.0
85.02839	0.5
89.02321	0.6
91.01787	31.1
92.02119	0.8
96.95899	0.5
107.04942	1.1
108.02076	1.7
109.02852	32.8
110.03248	0.7
121.02875	1.2
123.04467	0.7
125.02364	1.0
133.02875	1.9
135.00801	100.0
135.02875	3.3
136.01096	3.7
137.02353	3.8
147.04510	0.6
149.02368	1.8
151.03957	1.1
153.01866	91.9
154.02197	3.4
161.02362	1.1
163.03954	0.7
175.03957	2.7
177.01897	4.4
179.03462	0.9
189.01904	0.8
191.05563	1.5
197.06146	1.3
230.61255	0.6
243.06657	9.9
244.06807	0.5
248.17880	0.7
274.54706	0.5
297.06204	56.4
298.06616	4.2
361.57599	0.5
381.02597	0.5
388.12003	0.5
405.11975	65.2
406.12415	6.5
466.12799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44698	0.1
57.03328	0.5
59.01269	0.7
61.98701	0.5
63.02275	1.2
65.00211	2.5
70.84208	0.4
71.01263	0.4
72.04845	0.1
72.54729	0.1
78.95789	0.2
80.96404	0.3
81.03324	0.1
83.01278	2.1
85.02842	0.2
89.02337	0.3
91.01782	0.2
95.01276	0.3
96.95917	1.1
97.02840	0.2
98.19921	0.2
101.02334	0.3
106.04195	0.2
107.01295	5.1
108.02101	0.3
109.02842	0.3
116.92757	0.3
119.04931	0.2
121.02854	0.2
123.00811	0.2
123.04464	0.3
124.01585	0.9
125.02368	3.3
129.66977	0.1
133.02910	0.2
133.52307	0.1
135.00778	0.3
135.02890	0.3
135.04404	0.2
137.02339	0.5
146.03621	0.2
147.00800	0.2
147.04443	0.1
149.02356	0.2
151.00307	16.5
152.01085	2.1
153.01793	0.3
159.04478	0.3
163.00294	1.2
164.01074	1.8
165.01910	1.1
169.01355	1.8
171.04427	0.2
172.05217	0.2
174.03242	0.2
176.01112	2.8
177.01907	1.0
178.99817	13.1
180.00188	0.5
183.04439	0.3
184.05315	0.3
185.06125	0.2
187.03967	0.2
188.04756	0.4
189.01915	0.3
190.99844	0.3
192.00610	5.4
193.01335	1.3
196.00127	0.2
196.05238	0.2
198.03304	0.2
199.04039	0.3
203.03397	0.3
205.01428	0.9
209.06081	0.3
209.11795	0.2
210.06879	0.2
211.04030	0.4
212.04778	2.1
214.02673	0.2
217.01447	0.2
223.07707	0.3
224.04691	0.3
225.05507	0.4
226.06223	0.2
227.03482	1.6
228.04182	0.6
229.15974	0.3
233.00920	0.9
237.05614	0.2
238.06357	0.4
239.03453	0.2
239.07022	0.2
239.14397	0.3
240.04190	1.2
241.04878	0.2
242.02141	0.3
243.02953	0.4
249.05742	0.2
250.06346	0.2
251.07181	0.3
252.07944	0.2
253.05072	0.5
254.05678	0.2
255.03000	1.0
255.13838	0.2
256.03775	4.2
257.04242	0.5
257.15591	0.2
263.07309	0.2
265.05029	0.5
265.08765	0.2
266.05905	0.4
267.03128	0.2
267.06644	0.3
268.03802	0.5
269.04541	0.6
270.05164	0.2
273.14987	0.2
279.06662	0.4
281.04626	0.7
281.07706	0.1
282.05243	0.6
283.02634	0.4
283.13556	0.2
284.03308	2.4
285.03683	0.2
285.14984	0.2
292.03464	0.2
293.04614	0.2
295.06149	0.7
295.17136	0.2
296.03183	0.2
296.06699	0.2
297.04221	0.2
298.01379	0.2
301.14685	0.3
305.04749	0.2
309.04068	1.8
309.07751	0.9
309.18201	0.2
310.04733	0.4
311.01981	0.3
312.02731	1.1
322.05139	0.2
323.05591	0.4
335.16705	0.3
337.03616	0.3
337.07278	0.7
339.16168	0.3
347.05597	0.2
353.13815	0.2
353.17868	0.2
357.17386	0.8
363.16037	0.5
365.06750	0.5
367.15735	0.2
379.15756	0.4
381.17010	0.6
383.14941	0.2
391.15561	0.5
395.15015	0.3
397.16974	0.2
407.15137	1.1
409.16617	0.4
419.15155	0.4
424.15314	0.5
425.16132	10.2
426.16446	1.1
435.14587	1.1
437.16336	0.7
453.15704	2.0
454.15979	0.3
463.14053	3.0
463.20410	0.2
481.15115	100.0
482.15463	11.7
503.33798	0.3
523.16101	2.9
524.16583	0.3
627.19464	1.3
627.29132	0.3
627.37726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01257	1.1
61.98727	0.8
63.02279	1.0
65.00211	2.3
69.32851	1.5
71.01257	0.6
72.52714	0.2
72.72651	0.2
72.99218	0.2
73.02824	0.3
75.00726	0.2
78.95782	0.4
79.95628	0.2
80.96396	0.6
83.01267	1.7
85.02840	0.5
86.86826	0.2
89.02330	0.3
93.03355	0.2
95.01280	0.5
96.95911	0.7
97.02819	0.2
98.20570	0.4
99.00755	0.2
101.02330	0.4
107.01289	5.0
107.04939	0.2
108.02087	3.2
109.02867	2.2
111.00768	0.3
112.40180	0.2
113.02346	0.4
116.92774	2.1
117.01858	0.3
120.99550	0.2
121.02846	0.3
123.00832	0.4
124.01561	0.8
125.02364	3.8
135.00789	0.4
135.04486	0.3
135.08076	0.2
136.01532	0.2
136.05183	0.2
137.02359	0.6
149.06010	0.3
151.00308	15.6
151.03937	0.3
151.07678	0.2
152.01099	4.8
152.99506	0.4
153.01895	1.0
155.86888	0.2
158.03697	0.2
159.04410	0.2
161.02423	0.2
163.00314	1.1
164.01120	1.9
165.01909	1.2
165.10352	0.2
169.01399	1.9
171.04565	0.3
172.05325	0.2
173.06024	0.2
174.03207	0.3
176.01100	2.3
177.01860	1.0
178.99815	13.0
180.00131	0.8
184.05205	0.2
188.04718	0.5
189.01837	0.4
191.03490	0.2
192.00604	4.5
193.01381	1.5
196.05260	0.3
199.03874	0.3
200.04692	0.2
203.03522	0.3
204.03967	0.2
205.01433	1.2
209.11723	0.5
211.03947	0.5
211.13327	0.3
212.04816	1.6
213.05180	0.2
214.02792	0.2
218.12865	0.2
219.02951	0.2
224.04820	0.2
225.00664	0.3
225.05585	0.4
225.07843	0.2
227.03537	1.3
227.07156	0.2
228.04137	0.5
229.16107	0.3
230.16521	0.2
233.00880	0.6
237.05550	0.4
238.06250	0.4
240.04248	1.0
241.01225	0.2
241.04887	0.3
242.02129	0.3
243.03134	0.4
243.06081	0.2
251.07126	0.3
252.04320	0.3
253.05016	0.5
254.05876	0.2
255.03094	0.9
255.13954	0.3
256.03787	3.9
257.04160	0.3
259.02429	0.3
265.05139	0.7
265.08270	0.2
267.02853	0.2
267.06616	0.3
268.03790	0.6
269.04584	0.7
277.04926	0.2
279.06732	0.4
280.07416	0.2
281.04584	0.6
282.05469	0.4
283.02469	0.3
283.13568	0.3
284.03360	2.5
291.06854	0.2
294.02051	0.2
295.06174	0.9
296.06821	0.3
297.03882	0.3
301.14426	0.3
309.04068	1.3
309.07718	0.6
310.04767	0.3
311.02112	0.4
312.02795	1.2
323.05472	0.2
323.12399	0.2
329.23355	0.5
337.03589	0.4
337.07199	0.7
339.16098	0.3
349.14413	0.3
353.17639	0.3
355.11670	0.2
357.17151	0.8
363.16077	0.4
365.06665	0.5
381.17233	0.6
391.15659	0.5
397.16800	0.3
407.15134	1.3
409.16541	0.6
413.16077	0.3
419.15320	0.5
424.15393	0.4
425.16135	10.3
426.16464	1.1
435.14401	0.9
437.16083	0.6
452.15005	0.2
453.15723	1.6
454.16052	0.3
463.14105	2.6
464.14822	0.3
481.15109	100.0
482.15451	12.2
523.16003	2.6
524.16357	0.3
626.26788	0.2
627.21069	1.0
627.29523	4.6
627.38141	1.6
628.21265	0.3
628.30701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2115
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.50301	0.2
57.92299	0.2
59.89147	0.2
71.58254	0.4
73.02866	1.2
86.43157	0.2
98.67823	0.2
108.88758	0.3
122.23132	0.3
150.89233	0.3
209.97441	0.3
212.95374	0.3
350.36041	0.2
385.52142	0.3
395.62289	0.3
437.12683	1.0
438.13437	2.0
439.13651	0.4
450.13333	0.3
451.14157	1.3
452.14990	3.6
453.15469	0.7
465.16248	0.9
466.16586	1.1
467.17328	0.4
469.11612	0.6
469.33383	0.5
478.13080	0.5
479.17322	0.8
480.14215	0.9
481.15091	8.5
482.15753	1.6
483.20926	0.3
484.14139	0.6
493.15604	1.9
494.16068	1.2
495.16864	17.4
496.17218	4.1
498.15958	0.4
502.15024	0.4
507.17120	1.1
508.18097	2.3
509.18600	1.7
512.13110	1.3
513.14221	0.4
519.16669	0.3
521.14984	1.0
522.15106	0.4
523.19879	0.9
524.16681	0.4
525.14557	0.6
526.15039	1.0
527.25989	0.4
533.18311	0.6
535.16394	2.3
536.17114	3.4
537.17700	0.9
539.15680	0.7
540.16956	3.9
541.16528	0.8
544.16522	0.3
551.19507	42.7
552.19818	10.2
553.17505	0.8
554.17596	1.1
555.18854	1.6
567.18762	0.6
568.15607	1.3
572.15515	2.9
573.16046	0.7
586.17236	2.4
587.17603	0.6
595.18500	8.7
596.19141	2.3
626.26801	0.4
627.21094	100.0
628.21381	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2707
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
52.01783	0.4
56.38143	0.4
59.01257	3.4
59.58194	0.4
60.04611	0.4
63.96106	0.7
64.51884	0.5
69.03321	0.5
71.01263	6.6
71.59174	0.8
73.02827	1.9
78.98474	4.4
79.95618	12.7
80.96406	49.5
81.03350	0.8
83.01279	0.7
85.02851	3.3
87.00751	2.5
93.03384	0.6
94.35775	0.4
94.97974	11.1
96.95907	2.4
97.02859	1.3
101.02332	3.1
106.97989	1.7
107.01240	0.4
107.83181	0.4
109.02854	0.6
111.00779	0.5
113.02345	1.0
114.99100	0.3
119.04945	1.3
122.97488	4.0
125.02364	3.8
127.03916	0.7
134.03674	0.5
134.97487	3.3
135.04445	2.6
136.99066	1.0
137.02325	0.8
143.03336	0.5
148.99057	4.6
151.00267	1.1
151.03947	0.6
152.98553	6.9
157.98682	0.5
161.04477	0.5
163.03912	0.8
164.98579	10.8
167.03508	0.6
171.10240	1.0
175.66710	0.4
178.99854	0.6
179.03412	1.5
182.99619	2.3
188.64366	0.4
206.99692	3.5
225.00746	21.6
226.00923	0.7
243.01735	2.3
271.02454	0.8
299.04587	2.7
300.02582	0.6
301.03705	1.0
309.07758	0.6
327.21774	0.9
359.91797	0.6
366.94894	0.4
376.15610	0.4
421.05658	0.6
463.08728	0.5
465.04605	1.8
575.41278	0.4
627.26923	100.0
628.27252	13.2
645.63654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.28
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
54.41588	0.6
57.03331	1.5
59.01253	1.6
61.98709	1.5
65.64448	0.6
65.75629	0.6
71.01264	1.0
71.56296	0.7
74.04462	0.6
78.95792	46.9
79.95638	0.8
80.96404	1.3
87.30162	0.6
93.03375	0.7
96.95892	2.7
96.96857	9.8
99.08028	1.7
113.09618	2.2
124.89063	0.7
125.02377	0.8
127.07632	0.8
129.09117	2.7
151.00294	0.7
151.07605	1.1
151.11220	0.6
152.99522	52.7
153.99844	1.3
155.10703	0.7
169.12321	1.9
171.00647	1.4
181.12238	2.9
183.13867	1.1
193.12378	1.3
197.11816	7.3
199.13474	4.0
211.13388	9.8
221.27957	0.6
223.00166	5.5
241.01205	20.3
259.02362	1.0
275.20178	1.1
293.21326	8.1
311.22318	21.7
312.22705	1.9
315.04968	6.4
333.06058	0.8
363.80115	0.6
413.45941	0.7
506.64468	0.6
525.95001	0.7
627.27960	100.0
628.28235	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	63.2
60.01600	0.6
69.32632	0.3
71.01261	0.7
71.05960	0.8
92.67818	0.4
93.03361	0.5
96.95914	0.6
113.02406	0.4
121.02863	1.1
122.03650	4.3
123.04430	0.4
133.02875	0.9
135.04361	0.5
136.01541	0.4
137.02341	0.6
147.14438	0.4
149.02379	8.1
150.03157	43.0
151.03558	1.2
164.04742	2.8
165.05515	77.4
166.05824	3.2
180.04239	4.5
181.04962	1.4
189.76848	0.4
195.06596	100.0
196.07004	5.6
211.09738	3.7
227.09200	0.5
287.01880	0.5
316.02289	0.8
317.02676	0.7
318.02899	0.4
344.12714	0.8
359.15045	5.1
407.17184	39.7
408.17508	4.4
463.08853	0.8
465.09146	0.8
467.09631	0.7
551.79083	0.4
629.14514	0.6
629.26074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01606	1.0
60.99199	0.6
71.01275	0.6
71.55634	0.3
75.00774	0.5
85.02863	0.4
88.00282	0.6
88.98697	4.3
89.02348	1.2
93.03361	0.5
94.56075	0.4
96.95917	0.9
101.02347	0.4
101.18340	0.4
109.02866	0.6
110.21734	0.3
119.04899	0.4
121.02880	2.2
122.03667	3.4
123.04439	0.4
125.02377	0.6
132.02132	0.4
133.02908	0.7
135.04478	0.7
136.01585	0.5
137.02397	0.5
147.04503	0.5
148.01671	0.5
149.02373	35.5
150.03163	33.8
151.03560	1.2
153.05505	0.8
161.04536	0.5
163.04004	0.7
164.03651	0.3
164.04730	14.5
165.05518	56.3
166.05861	2.3
179.03442	0.6
180.04239	3.5
181.04968	3.7
182.05750	0.5
193.08690	2.8
195.06599	45.1
196.07274	4.7
197.08127	1.4
211.09729	5.1
227.09355	0.5
252.30212	0.4
273.03088	0.5
298.75616	0.4
301.10696	0.4
312.10333	0.6
313.10822	0.6
315.12424	0.9
317.02740	0.8
318.02707	0.5
344.12698	15.1
345.13083	1.5
359.15067	74.4
360.15399	8.6
389.15964	2.3
407.17175	59.0
408.17487	7.2
464.09061	0.9
465.09372	1.4
467.09998	0.4
491.11453	0.6
629.14221	0.5
629.25500	0.7
646.77209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02327	0.1
58.02861	4.8
58.99508	0.2
59.01267	1.5
59.63603	0.1
61.98718	1.9
66.03379	0.4
70.02872	0.4
71.01254	0.8
71.56209	0.2
72.00787	0.8
74.02359	10.7
75.00766	0.2
81.04491	0.4
82.02885	1.3
82.06512	0.2
84.04442	0.4
85.02839	0.2
85.03978	0.4
86.02365	4.0
86.06010	0.5
86.98992	0.9
87.05534	2.2
88.03915	0.2
89.02357	0.2
90.00073	1.2
96.04449	0.4
96.95912	1.3
97.03958	1.2
99.05541	9.6
100.03973	0.2
101.07095	1.4
102.05489	1.1
107.01268	0.2
107.06067	0.6
109.02887	0.3
109.03991	1.4
109.07606	0.6
110.02356	0.3
111.05544	0.6
111.95602	0.1
112.03960	1.1
113.02354	0.3
113.03462	0.4
113.07148	0.3
116.01675	0.8
119.04935	0.2
120.01184	0.4
123.05574	0.7
124.03991	0.5
124.07617	0.2
125.02434	0.2
125.03484	1.0
126.01900	0.3
127.05051	1.8
128.03458	25.8
129.02916	0.2
129.03781	0.4
129.99577	0.4
131.04559	0.6
135.02879	0.2
135.04483	0.4
135.05545	2.2
137.02408	0.2
137.07126	0.6
139.04951	0.2
141.06625	2.2
143.04555	36.9
144.01141	0.2
144.04881	0.7
145.06088	1.5
146.04527	3.3
149.07135	0.5
151.00381	0.2
151.03979	0.2
153.06628	2.6
155.08186	0.4
160.00687	10.5
161.00967	0.3
163.03952	0.2
163.19231	0.2
166.09828	1.5
167.03329	0.3
167.04593	3.0
167.08228	1.3
170.03250	0.5
171.04059	0.6
171.07739	0.5
177.03351	3.2
178.03668	0.2
179.04584	8.3
180.07774	0.2
181.06252	0.9
184.10876	0.4
185.05675	1.6
192.07813	0.8
197.05658	1.0
198.08858	0.6
201.11302	0.2
209.11812	0.4
210.08826	6.8
211.09099	0.4
213.03311	0.2
228.09915	0.4
231.04498	0.3
242.07790	1.1
254.07851	8.5
255.08167	0.2
264.70520	0.2
272.08942	13.7
273.09210	0.6
288.06668	5.5
288.09882	0.3
289.06946	0.5
306.07709	100.0
307.07983	5.3
403.85376	0.2
481.14871	0.3
499.16187	0.3
630.27441	0.3
631.25128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3655
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
56.44342	0.2
61.98705	0.2
64.94757	0.2
71.15733	0.2
71.16068	0.3
75.41647	0.2
78.95792	0.2
117.03376	25.9
118.03697	0.8
119.04942	8.9
120.05258	0.4
121.02863	1.3
123.04449	0.3
133.02873	0.3
133.76357	0.2
145.02887	100.0
146.03232	4.6
148.32646	0.2
162.03152	0.4
163.03975	1.6
182.22047	0.2
196.61380	0.2
403.27487	0.2
419.29523	0.7
437.30646	0.3
467.31680	0.4
485.32843	0.2
511.30710	0.8
587.37537	0.5
631.36523	66.9
632.36847	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	631.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32496	0.2
61.98725	0.3
69.99961	1.0
70.98553	0.2
74.95556	0.2
78.95744	0.2
86.36330	0.2
89.03855	0.2
98.19883	0.3
117.03370	27.3
118.03703	0.7
119.04938	10.2
120.05301	0.3
121.02865	1.4
123.04439	0.3
123.60644	0.2
126.57994	0.2
145.02878	100.0
146.03221	4.1
160.84132	0.5
161.88614	0.2
162.03177	0.5
163.03976	2.1
198.52359	0.2
247.91823	0.2
333.80161	0.2
384.65857	0.3
389.28421	0.2
419.29626	0.7
421.31137	0.3
437.30551	0.3
467.31378	0.3
511.30685	1.0
587.37646	0.6
631.36487	70.7
632.36853	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	633.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80773	0.7
57.03334	2.3
58.00472	1.0
59.01266	26.4
61.54270	0.8
61.98710	3.1
63.30635	0.8
67.05394	0.8
69.03329	2.3
71.01271	30.8
71.05637	0.9
71.05965	1.4
72.99194	2.1
73.02816	4.5
75.00766	1.8
83.01273	2.1
83.04899	1.0
85.02840	6.3
86.43221	0.8
87.00752	4.7
88.98686	2.6
89.02338	19.1
95.01277	2.9
96.95910	4.2
97.02840	2.3
97.06490	1.1
99.00761	1.3
101.02348	18.8
105.01787	1.1
109.02831	1.7
113.02355	10.2
113.09616	1.5
119.03419	6.5
121.02854	0.9
123.00795	1.9
125.02372	10.0
135.04482	1.6
137.02373	1.3
139.11377	0.9
141.01816	1.3
143.03439	1.4
149.09775	0.8
151.00359	1.2
151.11185	0.9
161.04509	1.3
163.11198	1.1
163.18811	0.9
165.12772	3.5
167.10597	0.9
167.14322	1.5
171.10233	1.9
177.08994	0.8
179.03560	0.8
179.05502	2.6
180.55093	1.0
181.12260	3.5
183.13834	1.1
185.27835	0.8
193.12268	1.4
195.13841	1.8
197.11829	0.9
205.12286	3.1
209.11859	1.9
211.13423	4.6
221.15483	1.2
223.13350	1.1
240.13687	1.6
247.20639	2.4
253.09682	0.9
264.05865	0.9
266.73315	0.9
271.20755	1.9
273.18628	2.7
289.21738	1.0
291.19739	30.5
292.20148	2.7
293.21265	9.9
294.21603	1.1
307.19131	1.3
309.20776	77.2
310.21127	6.2
315.19711	10.9
333.20776	14.0
334.20947	1.7
341.11026	1.2
345.20694	3.2
351.21878	1.0
363.21875	3.4
375.22327	1.0
381.22839	8.1
382.23117	1.0
411.23996	15.1
412.24252	1.7
413.90286	0.9
427.24744	1.5
453.25064	6.2
471.26099	22.1
472.26425	3.0
501.32138	0.9
508.01190	0.8
512.00830	1.0
519.33221	1.0
541.44489	0.8
594.22241	1.0
633.31396	100.0
634.31708	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	633.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
59.35699	0.2
61.98732	0.2
66.34531	0.2
70.90526	0.7
71.01263	0.3
72.55972	0.2
76.45255	0.2
81.10986	0.2
82.46974	0.2
96.95914	0.6
116.92777	1.8
117.03371	24.0
117.92809	0.7
118.03706	0.7
118.92557	0.5
118.96877	0.6
119.03423	0.9
119.04945	6.9
120.05250	0.3
121.02867	0.5
121.85565	0.2
124.90296	0.2
145.02884	100.0
146.03217	4.2
147.00894	0.2
163.03951	8.4
164.92702	0.2
171.10260	0.3
176.98451	0.2
194.76659	0.2
209.11829	0.5
289.18155	0.5
307.19223	1.2
325.20273	0.9
425.30997	0.4
437.30383	0.5
439.32104	0.5
455.31860	0.7
467.31631	0.5
469.33347	0.7
471.34485	0.3
485.32553	0.3
513.32367	0.4
571.38135	1.0
615.37170	0.6
633.38068	65.8
634.38428	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	633.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51676	0.2
69.55840	0.2
70.90518	0.4
71.04898	0.3
88.50404	0.2
88.91638	0.2
115.07070	0.2
117.03371	24.5
118.03682	1.0
119.04942	6.9
121.02840	0.7
123.04467	0.3
145.02882	100.0
146.03223	4.4
162.03171	0.4
163.03951	1.9
191.41751	0.2
209.11806	0.7
267.00534	0.2
289.18161	0.3
307.19247	1.0
314.20584	0.2
325.20316	0.8
409.31253	0.3
421.31128	0.6
422.31613	0.2
439.32214	0.2
467.32004	0.2
469.33170	1.2
470.33292	0.2
471.34894	1.8
487.34097	0.5
488.60245	0.2
513.32373	0.6
559.15741	0.2
569.47809	0.2
589.39008	0.7
633.38049	68.0
634.38409	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	633.3807
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
61.98713	0.2
69.85050	0.4
69.85461	0.8
71.04910	1.2
88.92475	0.2
96.35702	0.2
97.53546	0.2
98.19879	0.3
112.95210	0.2
117.03373	26.6
118.03698	1.0
119.04939	15.7
119.42555	0.2
120.05222	0.3
121.02866	1.8
123.04444	0.8
133.02826	0.3
145.02885	100.0
146.03227	4.5
147.04436	0.2
156.35365	0.2
161.02393	0.2
162.03175	0.9
163.03981	1.5
196.77292	0.2
202.99854	0.2
289.18411	0.2
409.31305	0.4
425.34024	0.3
469.33340	2.0
487.34854	0.5
513.32452	1.1
580.72015	0.2
589.39325	1.6
590.39374	0.3
615.37061	0.3
633.38074	93.4
634.38452	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	633.381
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
52.06950	0.2
54.49418	0.1
69.54437	1.1
79.83176	0.1
84.15420	0.1
117.03373	24.8
118.03709	0.6
119.04938	2.5
121.02916	0.7
145.02884	100.0
146.03220	4.0
162.03195	0.2
163.03958	1.9
209.00888	0.1
307.19092	0.2
405.28275	0.2
421.31076	0.8
439.32495	0.3
467.31638	0.4
469.33234	0.7
487.34543	0.2
633.38055	58.4
634.38458	12.8
634.46796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78126	0.1
71.56490	0.3
89.03878	0.2
110.59808	0.1
112.94302	0.1
117.03374	26.8
118.03689	0.9
119.04939	9.3
120.05318	0.2
121.02871	1.5
123.04462	0.4
133.02892	0.4
145.02884	100.0
146.03226	4.8
161.02350	0.3
162.03214	0.7
163.03964	1.7
405.27817	0.2
407.64319	0.1
421.31198	1.0
439.32150	0.3
469.33359	0.4
513.32324	1.4
514.32727	0.2
589.39056	0.2
633.38055	65.2
634.38416	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23978	0.3
59.01259	1.5
64.09529	0.3
71.01237	0.3
72.71879	0.2
78.95768	0.2
87.03207	0.3
92.45502	0.2
93.03326	0.5
117.03371	21.1
118.03719	0.6
119.04940	46.8
120.05295	2.4
121.02859	1.5
123.04448	0.3
125.09660	0.3
128.26961	0.3
128.80984	0.3
133.02859	0.6
141.01639	0.4
145.02885	68.1
146.03230	3.3
161.02368	0.4
162.03166	0.4
162.19739	0.3
162.83824	0.6
163.03951	38.2
164.04308	1.4
183.89680	0.3
197.11768	0.4
209.11842	1.2
211.13449	0.4
229.30951	0.4
238.00357	0.3
291.19653	0.5
305.17709	0.9
309.20679	0.5
325.20413	0.4
333.45670	0.3
421.31116	0.9
439.32169	1.2
467.31882	0.3
469.33289	9.6
470.33716	1.6
471.34760	0.9
487.34348	0.4
504.06808	0.3
513.32233	3.0
514.32538	0.6
536.46826	0.3
551.33801	0.4
552.45966	0.3
589.38873	0.4
621.97418	0.3
633.38068	100.0
634.38452	21.1
634.46729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
76.74624	0.3
78.95799	0.6
103.97717	0.3
104.58841	0.3
105.03386	0.4
107.04907	0.3
111.34966	0.3
117.03352	0.5
118.48397	0.3
119.04975	0.9
121.02871	0.6
124.44366	0.3
126.41946	0.3
132.02078	1.0
133.02875	25.4
134.03732	2.3
135.04442	8.2
137.02376	2.1
139.03918	0.6
145.02905	1.9
161.02382	76.0
162.02728	3.0
163.03996	0.8
163.11188	0.3
178.02650	0.5
179.03476	1.8
196.72211	0.3
200.47243	0.4
209.11826	3.5
232.46069	0.3
277.21844	0.5
278.22159	0.6
287.16641	0.5
291.19608	0.5
301.69629	0.3
305.17581	2.2
307.19263	0.4
309.20929	0.5
323.18765	0.4
401.67929	0.3
423.29001	0.4
435.49146	0.3
467.83557	0.3
497.32883	0.5
633.38055	100.0
634.38422	19.6
640.27515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.4
69.65079	0.6
69.65509	0.5
109.27299	0.2
116.92780	2.1
117.03376	26.1
118.03710	0.7
119.04940	9.4
120.05303	0.4
121.02868	1.3
123.04451	0.6
133.02901	0.2
145.02887	100.0
146.03230	4.7
162.03169	0.6
163.03957	1.6
178.29822	0.2
192.31972	0.2
224.70621	0.2
282.22723	0.1
405.28006	0.2
421.31262	0.9
437.30579	0.2
469.33362	0.6
487.34262	0.6
513.32458	1.5
514.32166	0.3
633.38074	64.2
634.38452	14.9
651.87756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3808
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
57.78942	0.3
59.83118	0.3
60.52494	0.3
71.01297	0.4
75.42846	0.3
78.95798	1.3
87.96416	0.3
93.03384	0.4
95.04919	0.5
117.03378	22.7
118.03749	0.6
119.04942	48.7
120.05257	1.6
121.02856	1.2
123.04431	0.3
123.94823	0.4
138.99059	0.3
139.07663	0.4
141.57024	0.4
145.02887	71.1
146.03256	3.1
151.11230	0.3
152.99535	1.2
163.03957	35.4
164.04295	2.0
169.08792	0.4
171.10184	1.2
207.10335	0.4
209.11914	0.9
228.26012	0.3
251.13028	0.3
278.80121	0.4
279.23343	1.4
291.19760	1.1
305.17761	0.9
309.20789	5.4
313.18402	0.4
341.23618	0.4
356.59375	0.4
421.31192	0.8
439.32327	0.7
469.33356	9.0
470.34036	1.6
513.32312	2.9
514.32617	0.5
551.33490	0.7
581.57495	0.3
633.38062	100.0
634.38434	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50306	0.4
57.03336	1.1
59.01254	1.8
61.98710	0.7
69.03336	0.5
69.28761	2.4
69.29195	2.4
71.01270	1.6
71.04906	1.1
80.02571	1.2
81.03330	1.0
82.07838	0.5
83.04911	3.3
84.02055	1.4
95.04932	1.9
97.02867	1.2
97.06487	1.9
99.04420	1.1
99.08064	1.3
106.04163	0.5
108.02070	0.5
109.02918	0.7
109.06483	1.0
111.08108	0.9
112.05184	0.8
115.07537	1.4
117.03372	13.0
118.03658	0.5
119.04922	6.5
121.02857	1.1
121.06525	0.7
123.04433	1.8
125.06063	0.6
125.09628	5.9
127.07575	6.8
135.00754	0.5
135.08052	2.5
137.09666	2.3
139.07570	2.2
141.01897	0.5
141.05539	1.8
141.09137	0.9
141.12859	0.8
145.02882	57.1
146.03223	3.2
149.09650	0.4
151.11185	1.0
153.09142	8.2
155.10736	1.9
162.03189	0.5
163.03934	7.3
163.11227	5.4
165.12808	2.3
171.10220	11.6
172.10583	0.5
177.12776	0.9
178.10008	1.4
179.10699	0.9
180.17532	0.5
181.12277	1.2
183.13928	0.6
185.11798	10.1
186.12106	0.6
191.10759	1.1
191.14384	4.6
197.11807	9.4
207.10170	3.8
209.11809	42.4
210.12154	2.7
211.13316	1.0
219.10432	0.7
219.14317	0.5
225.11430	2.2
227.12865	0.7
236.10434	1.0
237.11279	1.0
238.12202	2.6
245.19130	9.7
245.21625	0.6
251.16470	0.5
255.12346	1.0
256.13223	1.5
263.20245	1.1
271.17035	1.1
279.19708	1.2
289.18152	37.1
290.18475	3.6
307.19205	100.0
308.19553	7.5
325.20251	71.4
326.20688	4.9
443.27615	0.6
461.29169	0.5
471.34940	9.0
472.35147	1.3
571.37866	0.9
579.36938	1.4
597.38086	2.1
615.38776	3.6
633.38135	47.0
634.20099	0.5
634.38513	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2523
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.89714	0.8
53.57943	0.7
64.42473	0.7
71.48404	0.7
71.48756	1.5
78.95795	3.6
80.18120	0.6
89.04113	0.7
112.49600	0.7
151.20436	0.7
152.99492	3.2
171.10190	5.8
253.21664	0.8
255.23291	2.4
273.73468	0.7
289.18015	1.0
307.19199	2.2
399.14365	2.7
419.18817	2.3
430.14178	1.9
431.14474	1.8
431.18845	3.0
433.20242	2.0
444.15692	1.0
445.16534	2.5
458.17490	2.9
459.14139	1.0
459.18994	0.9
473.15015	1.1
473.20941	4.1
474.16656	7.7
475.17758	4.3
487.17859	2.4
488.18509	5.3
489.19461	5.3
490.20026	6.7
490.48676	0.8
491.20599	2.1
501.19418	1.5
505.22488	6.1
516.17987	1.9
517.18707	0.7
529.18811	1.2
548.21265	0.8
549.21277	3.5
560.20856	1.7
575.23096	12.7
576.23859	8.8
577.24182	1.5
603.21631	1.4
604.22516	0.8
635.25226	100.0
636.25488	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	635.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05193	0.5
57.03331	3.2
59.01262	2.6
69.03341	3.0
71.01260	2.8
71.04897	0.7
78.95804	0.9
78.98483	1.4
79.95633	1.3
80.96406	9.2
81.03365	1.0
81.70479	0.8
83.04936	1.0
84.02039	1.1
85.02843	9.4
89.12106	0.6
94.05267	0.6
94.97989	3.0
95.04907	2.0
96.95923	1.0
97.02835	3.0
97.06479	4.7
99.04430	0.7
109.06497	1.2
116.92763	2.4
117.03374	1.5
117.92814	0.8
119.04901	1.2
119.08606	0.7
122.97547	0.8
123.04399	1.1
123.08115	1.6
125.02332	1.0
125.05870	0.9
125.09631	5.1
127.11204	2.2
135.02898	0.8
135.08110	1.5
137.05971	0.7
137.09679	4.2
141.05527	1.7
141.12769	0.6
145.02899	7.3
146.03223	2.4
147.03326	0.7
148.99142	0.7
151.11191	0.8
152.98515	1.0
153.09161	6.4
155.10756	1.2
163.11198	3.3
164.98578	2.7
165.12788	1.9
167.14427	0.9
171.10225	35.3
172.10527	1.4
177.12828	2.2
179.10701	0.9
181.12270	1.7
182.99776	1.0
183.13892	2.7
185.11868	4.5
191.14394	4.3
193.12364	1.6
197.11841	3.1
198.44894	0.7
201.11290	0.8
203.44371	0.7
206.99678	0.8
207.10306	1.4
209.11838	6.5
211.13390	13.8
212.13699	0.9
217.16026	1.0
221.11842	2.1
225.00735	4.8
225.11304	2.0
225.52493	0.7
229.14484	8.8
239.12825	1.6
245.19118	9.0
246.19539	0.7
247.20627	0.8
251.12914	0.7
255.12399	0.9
271.17105	1.0
277.21643	1.0
289.18161	36.6
290.18427	3.1
291.19785	2.8
299.04489	1.2
307.19220	67.1
308.19580	5.0
309.20773	2.2
325.20239	25.0
326.20633	1.9
327.21826	100.0
328.22232	7.1
445.29459	1.7
463.30759	1.0
487.34317	0.9
545.18652	0.7
577.26996	18.5
578.27362	3.2
599.39575	3.2
605.38916	0.7
617.41235	5.7
618.41254	1.1
635.23407	1.4
635.40851	13.8
636.41254	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	637.2677
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.01244	3.3
71.01255	3.1
78.98484	1.8
79.95618	3.3
80.96407	32.8
87.00774	1.1
94.97983	7.6
97.02854	1.2
101.02306	1.6
106.98002	2.5
122.97502	2.2
125.02353	2.3
134.97479	2.9
148.99109	2.3
152.98540	4.0
164.98582	5.3
165.29460	0.9
206.99677	1.7
225.00719	12.1
244.97333	1.0
255.23271	2.1
299.04474	5.3
433.16397	6.9
434.17313	6.3
447.18228	9.3
448.19165	10.6
449.19812	4.9
461.20181	2.8
462.20724	10.6
463.21445	8.4
489.19299	1.4
490.19736	1.3
492.18024	2.1
493.19089	3.1
506.19431	2.9
507.20303	5.4
508.20578	1.6
521.22217	22.2
522.22388	4.1
535.19727	1.7
548.48853	1.2
550.22614	2.1
551.23273	2.4
555.28516	60.5
556.28943	7.3
577.24695	1.8
593.24158	3.2
594.25214	2.4
608.26514	16.7
609.27002	6.9
622.24811	5.7
637.26733	100.0
638.27008	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	639.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86145	0.2
57.24292	0.2
59.01043	0.2
59.01265	2.7
66.70901	0.2
70.48679	0.5
70.49046	0.5
71.01253	1.1
72.99201	1.4
73.02831	0.2
75.00759	21.0
87.00777	0.5
89.02335	4.4
89.02843	0.4
98.19823	0.3
99.00780	0.3
107.04996	0.2
117.01854	1.6
133.02878	0.9
134.03700	0.4
135.02916	100.0
135.04361	5.0
136.03224	2.5
136.04773	0.5
158.23434	0.3
161.02403	3.3
169.69124	0.2
179.03458	4.3
243.93307	0.2
270.10559	0.2
295.10248	0.5
296.10782	0.7
297.06186	24.5
298.06519	2.3
342.47137	0.3
358.61496	0.2
482.47592	0.2
538.69257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	40.7
61.98710	8.3
69.23283	30.0
71.01277	21.2
72.99190	3.9
73.02840	4.6
77.15953	3.0
78.95792	16.4
81.03347	3.7
82.33063	2.5
83.01279	4.5
83.04921	5.8
85.02839	7.7
87.00787	5.7
89.02335	20.2
90.30134	2.5
94.03036	2.6
95.01287	3.3
95.04941	2.6
96.95890	5.8
97.02861	4.3
98.20515	4.8
99.04424	6.8
101.02328	19.5
102.23016	3.0
113.02367	8.9
119.03395	7.6
123.04424	2.6
125.09641	7.9
125.37209	3.0
126.90305	2.5
131.03444	2.8
135.02925	3.7
135.08038	2.7
141.44446	3.2
150.06749	3.7
152.99524	19.8
161.04553	4.6
163.07562	4.9
163.11237	6.3
171.10233	24.0
185.11774	6.4
185.84174	2.7
191.14395	8.7
197.11719	3.0
209.11783	13.7
211.13388	16.7
215.14409	4.1
221.02937	2.4
233.15450	19.3
235.08298	4.7
235.13348	5.0
241.01047	3.6
245.19081	16.4
249.15036	15.3
253.09349	43.7
289.18158	100.0
290.18539	9.5
291.19702	5.5
307.19220	75.2
308.19626	6.3
315.01657	5.5
316.01660	2.9
385.23923	16.1
403.24939	22.9
421.26044	5.3
459.27533	7.5
477.35797	3.5
525.27039	9.8
543.28210	10.3
549.59741	3.5
621.32947	45.3
622.32849	7.8
639.35449	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	13.5
61.10592	11.4
61.98714	14.3
70.07100	21.0
70.07463	53.3
78.95779	10.4
152.54588	11.9
171.10246	14.7
209.11873	11.9
211.13481	15.6
286.56329	12.3
342.23792	13.7
400.19629	13.8
447.09329	20.4
543.56598	12.9
618.31805	15.3
639.29913	15.7
639.40424	100.0
640.41125	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	639.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63773	20.4
60.22806	23.6
61.98710	43.3
62.96418	19.0
63.76545	19.4
73.10697	20.8
78.95810	30.4
90.06278	19.8
92.39283	21.7
116.03850	23.0
118.00156	18.0
119.86897	21.9
127.66965	21.0
209.11894	27.3
277.21692	32.2
335.98788	21.3
349.02136	24.4
639.24091	24.9
639.40302	100.0
640.40845	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	641.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01252	4.1
61.98717	1.4
71.01276	3.0
71.55820	1.3
73.02809	0.7
73.48870	0.7
75.00773	0.7
78.17731	0.7
82.73044	0.6
83.01274	1.4
85.02835	1.0
87.19791	0.7
89.02348	1.6
93.03371	0.9
96.95929	3.0
97.02824	1.1
101.02361	1.8
104.84353	0.6
107.01289	1.1
109.02864	5.1
113.02384	0.8
119.04971	1.8
121.02872	1.8
123.04441	1.4
124.01597	1.0
125.02372	6.7
133.02901	1.0
135.02914	1.3
135.04457	2.5
137.02385	9.9
149.02396	2.0
151.00288	4.4
151.03999	1.5
152.01077	1.1
153.01813	1.9
155.03601	0.7
161.02386	2.0
163.00407	1.0
163.03935	2.1
164.01051	1.5
165.01848	2.1
165.05458	0.7
166.06087	0.7
169.01198	0.7
174.03128	1.3
175.03949	1.0
177.01834	2.1
178.99829	2.9
179.03459	2.4
180.08173	0.8
181.04964	0.9
181.63655	0.8
185.02386	1.8
188.04645	0.8
189.01953	0.9
190.99834	2.1
202.99805	3.9
203.07166	1.2
205.05037	1.6
211.03976	1.5
213.05286	0.7
214.02672	2.1
216.00749	1.2
225.01962	8.2
226.02415	1.0
227.03694	1.1
228.04292	2.5
235.02339	0.8
235.13351	0.9
236.13760	1.0
239.03465	1.0
240.04280	0.9
241.05013	1.9
242.02206	1.8
243.03011	5.0
245.08223	2.0
247.02530	0.9
248.42801	0.7
253.01434	1.6
255.03027	2.4
256.03812	3.6
257.04636	2.0
267.03156	1.0
269.00958	49.1
270.01331	4.1
271.02628	2.4
277.05200	0.7
279.03137	0.8
281.00995	2.2
282.01749	5.2
283.02551	18.5
284.03156	4.4
285.04016	6.9
289.07303	10.5
290.07614	4.4
295.02402	1.0
297.00458	3.2
299.02075	0.8
306.05307	1.1
307.02542	1.7
308.03098	1.0
309.00659	1.0
311.02081	1.8
315.01572	2.1
316.02090	0.8
317.04636	1.7
321.04013	1.5
322.04825	2.2
323.01846	1.6
323.05569	0.9
325.03296	1.6
327.01505	0.9
329.03073	4.6
332.03137	1.3
333.04199	2.3
334.04782	1.0
335.05646	1.0
343.07999	0.9
345.04102	3.1
352.02249	1.2
353.03131	2.8
357.02618	4.9
360.02750	3.7
361.03574	7.6
362.04242	1.2
363.05304	3.6
369.02774	1.1
373.03625	1.2
377.03128	4.2
379.04886	1.9
384.04944	3.4
385.05670	2.5
388.02307	2.9
389.03091	41.1
390.03400	4.5
391.04810	1.1
405.02643	3.3
406.03317	7.2
407.04105	3.5
433.05814	2.5
434.02850	66.1
435.03534	37.4
436.04013	3.3
447.08667	1.0
449.05194	14.5
449.11505	0.8
450.05890	3.6
463.06842	3.2
494.04974	13.0
495.05423	3.7
531.11499	11.4
532.12152	1.4
566.61163	0.7
581.09479	100.0
582.09900	12.0
597.12384	2.4
609.12738	2.7
641.11542	82.2
642.12048	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	641.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24821	1.2
63.02280	2.8
65.00202	8.3
68.99728	1.6
71.01259	2.5
73.02785	1.4
83.01267	3.3
84.20108	1.4
89.00228	1.5
93.03357	1.6
95.01273	4.2
104.54688	1.5
106.00497	4.1
107.01277	7.5
108.02100	1.7
109.02857	9.5
109.99966	1.5
111.00806	6.7
113.12586	1.4
119.01307	1.4
119.04913	1.3
121.02925	1.8
123.00780	8.5
124.01538	1.5
124.98743	3.1
125.02367	5.3
132.64394	1.3
133.02852	3.9
135.00819	3.8
136.98744	1.5
137.02356	3.6
139.00285	6.3
140.01099	1.9
141.01834	3.0
143.04948	3.2
147.04401	2.1
147.78590	1.4
148.01534	2.7
148.98695	2.1
149.02361	4.9
149.99500	6.0
151.00301	25.1
152.01004	5.4
153.01869	4.3
154.99753	1.9
159.04446	4.1
161.02376	3.9
163.00305	2.7
163.03937	2.5
164.00955	2.2
164.98221	2.3
165.01935	2.1
165.99017	3.4
166.99815	2.8
168.00624	4.7
169.01334	3.0
171.04433	3.4
173.02252	2.3
174.03108	1.8
175.02625	1.7
175.03981	4.7
177.01794	1.6
177.98988	6.2
178.99818	26.9
179.03418	1.6
181.01453	2.2
183.04501	2.2
185.02441	1.8
187.03986	9.0
189.01900	4.7
190.02655	2.3
191.03474	3.7
193.01375	4.0
194.99321	3.3
199.03908	6.8
201.01843	3.1
203.03557	8.9
204.00638	1.5
204.04027	3.0
204.97806	2.3
205.01428	2.4
205.05096	2.4
206.99367	2.2
207.02917	1.7
209.00824	4.0
214.02629	2.9
215.03484	8.1
217.01413	1.8
217.04979	1.8
219.02988	3.2
221.01045	1.5
222.98843	3.9
225.01888	1.6
227.03528	3.0
229.01361	3.8
230.02208	2.5
231.03076	6.8
232.03714	6.1
233.04510	6.9
241.01439	1.7
242.02068	2.8
243.02997	13.9
245.00952	1.7
245.04558	3.0
247.02599	3.7
255.03040	3.5
256.03290	1.7
258.01553	2.8
259.02560	6.8
260.03107	2.5
261.04099	2.8
269.00995	2.5
271.02527	35.4
272.02960	4.6
286.01129	3.5
287.02011	38.8
287.04974	3.0
288.02646	9.7
289.03549	6.1
297.00488	7.7
299.02072	12.4
300.02759	7.6
301.03564	9.8
314.00635	3.5
315.01517	100.0
316.01981	11.1
317.03076	6.0
332.01593	7.8
333.02484	6.3
347.54782	1.4
463.09000	3.7
479.07480	2.3
487.32919	1.6
501.12253	3.6
505.12323	3.4
519.09760	1.7
529.12006	2.0
541.15546	5.3
569.15192	4.1
595.13538	2.5
597.14630	5.9
613.13757	2.2
623.12756	13.4
624.12561	2.7
641.13690	54.4
642.13855	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	641.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23579	0.8
59.01253	1.2
62.26234	0.7
63.02270	1.5
64.46767	1.0
64.47130	0.9
65.00212	2.3
70.32171	3.6
71.01240	1.2
82.32613	0.7
85.02862	0.7
89.01724	1.0
89.02274	1.0
95.01280	2.7
96.99207	1.3
99.00764	1.5
107.01278	3.5
108.02094	1.0
109.02837	1.7
110.00011	9.5
111.00850	4.2
119.04951	1.0
123.00789	4.9
124.01575	2.8
124.98689	1.0
125.02383	4.6
131.04941	1.2
133.02844	1.0
135.00804	1.7
135.04422	1.1
136.98717	1.9
137.02341	2.8
137.99490	2.4
139.00298	15.0
140.01091	2.1
141.01840	1.2
143.04890	1.9
145.02878	1.1
149.02397	2.1
151.00316	17.4
151.03908	0.9
152.01105	7.9
153.01836	3.1
159.04417	3.5
161.02441	4.1
163.00359	5.3
164.01079	2.5
165.01933	2.4
165.99028	11.4
166.99792	5.9
169.01270	1.1
171.04468	1.8
174.03172	1.1
175.03917	3.6
176.01064	1.0
177.01837	5.0
178.99812	20.6
180.00410	2.4
181.01462	0.9
185.02214	1.0
187.03925	6.1
189.01860	3.8
190.02634	3.3
190.99811	2.9
191.03499	2.1
191.05579	1.9
192.00577	2.5
193.01352	1.9
193.98518	1.2
194.99356	2.4
197.02336	1.5
199.03944	3.2
200.01004	1.1
201.01865	2.0
202.02690	2.4
203.03470	10.9
204.04050	1.4
205.01370	3.5
206.02040	1.1
206.99268	2.1
208.00110	1.2
213.01907	2.3
214.02664	1.9
215.03485	8.7
217.01337	4.3
217.05098	1.1
218.02135	3.1
219.02939	6.3
221.00900	1.4
227.03299	1.9
229.01433	2.8
230.02129	4.2
231.03003	8.2
232.03680	3.4
233.00891	1.3
241.01413	3.0
242.02187	2.4
243.03033	14.8
244.03448	0.8
245.00917	4.7
246.01686	2.8
247.02473	3.3
257.00934	1.9
258.01691	5.4
259.02505	14.6
260.03064	2.7
261.03906	1.9
269.00940	3.1
270.01566	1.5
271.02536	16.0
272.02954	1.4
275.01987	2.4
276.54388	1.0
286.01208	7.7
287.02017	52.5
288.02695	10.1
289.03433	3.6
297.00461	2.5
303.01584	6.6
304.02148	4.3
311.01929	1.2
314.00653	2.6
315.01529	65.5
316.01953	10.3
317.02893	4.2
331.01044	2.5
332.01797	71.1
333.02481	17.4
334.02994	1.2
337.87369	1.0
357.02475	1.6
392.22144	1.0
448.89148	0.9
479.07962	2.1
597.15302	4.2
623.12628	13.1
624.13281	1.3
641.13696	100.0
642.14093	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
63.02293	0.5
65.00209	0.9
69.86983	0.3
71.01250	0.4
71.54413	0.5
72.99181	0.3
83.01274	0.7
88.54170	0.3
97.21293	0.3
101.02365	0.3
107.01283	2.3
109.02856	1.1
119.04939	1.1
119.48859	0.3
124.01555	0.5
125.02370	1.1
131.97531	0.3
135.02895	0.4
135.04402	0.4
135.72400	0.3
137.02382	4.2
141.14651	0.3
143.04974	0.5
147.04494	0.5
149.04465	1.0
151.00301	10.6
152.00975	1.1
163.00301	1.3
163.03952	2.7
164.01044	0.9
165.01930	0.7
167.03461	0.6
169.01373	1.4
171.04440	0.5
173.02393	0.3
175.03949	0.9
178.99814	10.3
180.00069	0.4
183.25737	0.3
187.03880	1.4
190.99858	0.4
191.01941	0.5
191.03543	0.5
192.00671	0.4
193.01418	0.8
199.04001	1.4
201.01894	0.6
203.03479	4.4
214.02737	1.5
215.03511	2.7
216.03897	0.3
217.01314	0.4
227.03610	0.5
231.03033	3.3
241.01468	0.5
242.02252	1.3
242.99316	0.3
243.03018	5.0
255.02983	0.4
259.02502	9.9
260.02945	0.6
269.01065	0.3
270.01730	1.3
271.02530	17.0
272.02927	1.4
287.02036	20.7
288.02448	1.9
315.01535	40.9
316.02261	42.3
317.03027	30.0
318.03528	2.3
329.03143	1.3
353.09131	0.4
400.38858	0.3
478.07648	13.4
479.08365	35.7
480.08600	3.5
641.13733	100.0
642.14069	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	641.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04355	0.2
59.01263	1.7
61.98710	0.4
68.71598	0.2
69.03338	0.5
70.06792	0.4
70.07182	0.4
71.01279	1.5
72.99176	0.2
73.02837	0.3
78.95798	0.2
83.04910	0.3
85.02841	0.4
87.00772	0.4
89.02338	0.9
94.75749	0.2
96.95903	0.3
97.02883	0.2
99.04433	0.2
101.02354	1.2
113.02337	0.8
115.14208	0.2
116.45403	0.2
116.92741	0.3
119.03432	0.4
123.04507	0.2
125.02380	0.2
133.02835	0.2
138.36571	0.2
145.05045	0.3
151.72955	0.2
155.10730	0.2
161.04466	0.3
165.12801	0.3
167.10652	0.2
167.14357	0.7
178.99976	0.2
179.05577	0.2
183.13879	6.5
184.14224	0.4
193.12326	1.8
211.13385	100.0
212.13724	5.5
220.14699	0.2
221.15451	0.7
233.35506	0.2
235.08275	1.8
236.10587	0.5
253.09331	3.6
293.17700	0.5
387.25421	0.5
395.49780	0.2
405.26712	0.3
429.21326	1.0
447.22464	6.1
448.23019	0.8
623.34015	1.1
624.35150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01251	1.4
61.98701	1.6
69.03336	1.4
71.56782	0.8
83.04903	1.2
88.44096	0.7
95.04939	1.2
96.54292	0.8
97.06477	1.0
109.06480	0.8
111.08057	18.8
116.92765	4.0
127.07555	1.7
145.17854	0.8
147.11739	4.8
149.09779	0.9
151.11201	1.7
153.12778	1.9
165.12819	6.1
169.12329	7.3
170.12624	0.7
181.12256	1.6
183.13815	1.6
191.10747	1.4
197.11804	85.9
198.12090	4.4
199.13358	3.4
203.00197	0.8
211.13383	18.8
212.13788	1.2
215.10519	9.3
219.09938	4.8
227.12944	1.6
231.10031	0.9
233.11594	81.9
234.11906	4.3
247.20802	0.8
263.20166	3.3
265.18140	2.6
291.19714	14.0
292.20239	1.1
309.20758	100.0
310.21091	8.4
313.17776	2.3
331.18970	11.7
332.19498	1.3
375.17981	1.3
431.22891	1.4
445.24350	3.6
472.90167	0.9
543.31805	1.0
603.25879	1.0
641.40509	17.2
642.41083	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	641.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64534	0.3
57.03237	0.7
57.03484	0.4
59.01163	1.0
59.01437	0.7
61.98629	0.5
69.03230	1.1
71.01166	0.5
71.04833	0.5
81.03265	0.5
83.04790	0.5
93.03215	3.1
95.04826	0.6
97.02704	2.0
97.06398	0.5
98.19775	0.9
101.02271	0.4
107.04783	1.9
107.72672	0.3
109.06367	0.7
109.46841	0.4
110.03515	0.5
111.04343	0.5
111.07940	0.8
114.49766	0.4
123.04284	0.4
123.07962	0.7
125.09500	1.2
133.02753	0.8
137.02281	0.4
137.09616	2.3
138.42210	0.4
139.11081	0.6
141.12650	0.6
151.07437	1.1
151.11104	0.4
163.11201	2.9
165.09145	0.5
165.12758	4.2
166.01111	0.5
167.14281	0.6
171.10040	1.5
179.14180	1.2
181.12149	1.6
183.13838	2.5
193.08299	1.3
193.12209	0.7
193.15791	1.3
197.11635	1.4
207.10008	3.1
209.11667	1.3
211.13374	36.0
212.13745	2.3
219.10083	2.3
221.11693	1.0
223.13426	2.0
227.17938	0.7
231.09933	1.5
233.11514	0.6
235.08118	0.4
241.09691	0.4
244.10831	2.0
245.11476	0.8
245.19211	1.8
247.09404	1.7
247.20695	4.9
248.10307	4.4
249.10916	1.3
253.09222	1.4
259.09317	0.5
262.11728	1.1
263.12598	1.2
273.18613	1.5
278.72076	0.4
283.13242	0.6
283.16620	0.4
287.16315	0.9
291.19702	32.7
292.20053	2.9
294.09491	0.5
295.16760	0.7
309.20761	50.8
310.21054	4.3
313.14453	1.4
313.17880	25.2
314.18280	2.0
331.18958	100.0
332.15689	0.4
332.19305	8.8
391.85181	0.4
407.53333	0.4
447.22513	2.1
641.40381	8.7
642.41205	1.6
651.66760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72078	0.5
59.01239	0.6
61.98700	0.5
69.03336	4.3
69.83557	2.2
71.01244	1.0
74.84132	0.4
84.02045	0.4
90.68107	0.4
93.03334	0.6
93.12383	0.4
95.04828	0.4
97.02847	27.6
97.06442	1.0
98.03162	1.0
98.20520	0.5
111.04362	0.8
125.05956	1.4
152.00865	0.8
165.12703	0.8
168.00241	0.7
178.02463	3.1
181.12199	0.6
183.13832	1.8
191.03242	2.8
195.13783	0.4
210.01460	4.9
211.13376	20.0
212.13695	1.6
219.06412	4.0
223.13260	0.5
233.07869	0.6
233.11574	1.4
234.08740	0.7
253.09314	0.6
261.11127	32.4
262.11887	70.1
263.12244	4.4
267.12363	0.5
281.21411	0.5
291.19598	3.8
292.20172	0.4
294.10934	7.5
295.10623	0.8
309.20776	11.8
310.21100	1.2
313.17963	0.8
329.16165	0.6
331.18958	100.0
332.19330	8.4
377.14337	0.4
447.22653	1.2
572.32227	3.2
641.39233	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44154	0.3
55.62407	0.3
56.36972	0.3
59.01280	0.3
63.02249	0.4
65.00195	0.6
66.32176	0.2
69.62447	0.5
69.62853	1.5
75.08564	0.3
83.01265	0.6
107.01293	1.5
109.02850	1.1
121.02840	0.7
123.00781	0.3
124.01595	1.4
125.02338	0.7
135.00879	0.3
135.02895	0.4
135.04446	0.9
135.23657	0.3
136.01575	0.5
137.02370	3.2
150.03188	0.4
151.00298	8.0
152.00969	1.0
163.00311	1.4
163.03964	0.5
164.01093	1.3
165.01831	0.8
169.01382	1.2
178.99814	7.5
180.00215	0.3
185.02345	0.3
188.04610	0.3
190.99658	0.3
199.04019	0.6
203.03468	1.2
204.04234	0.5
214.02722	4.3
215.03290	0.6
219.02988	0.3
227.03413	1.0
231.02962	0.8
232.03740	0.5
242.02203	4.7
243.02962	2.2
259.02499	4.7
259.35971	0.3
260.03079	0.4
267.66592	0.3
269.23660	0.3
270.01715	6.1
271.02518	33.4
272.02844	2.2
287.02032	17.6
288.02591	2.3
299.01984	0.5
313.03635	0.4
315.01532	2.4
316.02283	100.0
317.02979	28.5
318.03381	1.6
329.03110	0.8
425.23087	0.3
462.07986	0.8
463.08896	97.9
464.09232	10.2
479.08136	12.1
480.08582	1.5
497.07501	0.7
643.13080	8.6
644.13049	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	643.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53205	0.4
55.01734	0.6
57.03339	0.5
59.01260	4.7
61.98713	1.9
63.96112	1.1
69.03334	1.3
71.00891	0.3
71.01264	10.0
73.02836	1.8
75.00750	0.5
78.84841	0.4
78.95810	0.7
78.98479	5.5
79.95623	13.2
79.96095	0.7
80.02549	0.9
80.96406	65.4
81.03350	1.7
83.01286	0.8
83.04909	4.2
84.02065	0.7
84.04031	0.4
85.02837	4.4
87.00763	3.5
89.02327	2.2
93.03342	0.6
94.97977	15.7
95.01272	0.8
96.95911	5.8
96.96869	0.5
97.02854	2.3
98.95488	0.6
99.00777	1.1
99.04402	0.7
101.02344	5.0
106.97992	2.8
109.89395	0.5
111.07961	0.4
113.02348	1.6
116.92765	1.5
119.03387	0.5
122.97491	6.2
125.02352	3.6
125.06013	0.4
127.03929	2.2
133.91661	0.5
134.97502	4.8
136.99045	1.1
137.02350	0.5
141.29134	0.5
143.03372	0.6
148.99071	6.2
150.96811	0.4
152.98553	7.6
152.99675	0.6
161.04454	1.5
163.11237	2.7
164.97284	0.8
164.98584	11.5
165.12776	1.5
167.03583	0.5
169.12297	3.4
171.10207	0.5
178.99962	0.5
181.12323	0.7
182.99706	2.7
188.98610	0.6
191.10741	0.5
197.11798	56.4
198.12152	1.4
199.13422	0.7
201.11311	1.5
206.99658	3.7
209.11809	89.0
210.12157	3.0
211.13409	0.9
223.13356	1.2
225.00743	22.9
226.01019	0.8
227.12869	12.7
235.08237	1.7
235.13402	0.6
243.01736	2.2
253.09320	7.2
299.04471	3.0
300.02704	0.6
300.41180	0.4
301.03220	0.6
315.35696	0.5
317.05447	0.6
328.13428	0.4
340.65759	0.5
340.72018	0.5
371.22525	0.7
389.23544	0.7
425.23578	0.9
433.20880	1.6
445.20840	1.6
463.21497	0.6
487.34525	0.6
607.24286	6.4
608.24774	0.6
625.32623	0.8
643.22064	100.0
644.22406	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	643.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.4
58.00511	0.3
59.01261	3.8
61.98724	1.8
62.02723	0.3
69.03363	0.5
69.53595	1.7
69.54011	0.7
71.01268	3.3
71.01614	0.3
72.99223	0.3
73.02876	0.8
78.95826	1.3
78.98515	0.4
79.95623	1.4
80.02603	0.6
80.96401	4.8
81.03376	1.0
83.01286	0.7
83.04916	3.6
84.02087	0.6
85.02843	1.5
87.00814	1.1
89.02329	2.2
90.81617	0.3
93.03359	0.3
94.97456	0.3
94.98029	1.1
95.04914	0.4
96.95908	15.3
96.96902	0.7
98.48141	0.3
99.04431	0.5
99.17270	0.3
101.02345	2.7
113.02341	1.9
116.92795	0.8
119.03427	0.7
122.97510	0.4
123.08118	0.3
125.02402	1.6
127.03951	0.8
133.02820	0.3
134.97554	0.4
135.02980	0.4
135.08122	0.7
137.02423	0.3
139.03975	0.4
143.03419	0.4
145.05009	0.5
148.99124	0.5
153.09160	0.5
153.12775	1.1
161.04506	1.1
163.11217	2.2
164.98563	1.0
165.12801	1.7
167.03436	0.5
169.12292	6.2
171.10193	1.0
179.05550	0.4
191.10745	0.7
197.11806	100.0
198.12146	6.0
199.13370	0.6
209.11810	69.0
210.12161	3.6
211.13350	0.5
223.13461	0.5
225.00697	1.8
227.12892	11.8
227.15175	0.7
228.13170	0.8
235.08246	3.7
235.13353	1.3
253.09334	8.0
371.22275	0.4
433.20874	5.0
434.20709	0.4
438.83463	0.3
445.20963	0.8
465.17520	0.3
481.18369	1.1
600.08014	0.3
607.22699	0.4
607.31317	0.7
625.32800	0.5
643.21619	5.4
644.22125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17630	1.0
69.26498	7.2
69.26921	3.3
70.25287	0.9
71.01280	1.8
109.02821	2.2
134.23703	1.0
135.02899	1.3
151.00325	6.6
178.99760	1.5
182.13374	1.1
193.01237	1.0
243.02940	1.4
255.02975	2.4
271.02524	32.7
271.05490	1.6
272.02731	1.8
299.02020	69.1
300.02689	12.7
301.03583	61.8
301.06360	0.9
302.03790	3.8
303.07227	3.8
343.04489	1.5
369.07965	1.1
413.57455	1.2
447.09576	6.1
462.01901	1.7
462.08099	22.2
463.08807	9.1
464.08884	1.7
544.36005	1.0
609.14734	100.0
610.15210	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	645.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	2.4
59.01264	7.4
61.98744	1.7
62.60876	0.5
63.02280	3.8
63.19671	0.6
65.00204	8.8
65.03857	0.9
70.98656	0.6
70.98979	1.2
71.01267	4.3
73.02870	1.4
81.03371	0.7
83.01280	7.2
83.01703	0.7
85.02885	1.4
87.00820	0.6
89.01914	0.6
89.02312	2.7
89.79568	0.5
91.01869	0.8
93.03374	0.7
95.01335	1.7
96.95911	3.1
97.02869	1.0
101.02348	3.5
103.03925	0.8
107.01296	14.1
107.04980	1.8
109.02870	3.9
111.00787	0.6
113.02380	1.1
115.05508	0.5
119.03454	1.5
119.05022	0.5
121.02900	1.5
121.40759	0.5
123.00860	1.6
123.04451	0.9
124.01614	3.0
125.02372	18.4
125.03226	1.1
133.02885	1.4
134.03630	0.7
135.00833	1.5
135.02969	1.0
135.04512	1.3
137.02388	3.1
139.00330	0.5
143.05061	0.6
145.02969	0.7
146.03691	0.8
147.04442	1.2
148.05231	0.5
149.02437	1.3
149.99670	0.8
150.03175	0.7
151.00302	58.2
151.03931	18.3
152.01079	4.5
153.01894	1.1
159.04477	3.1
161.02415	1.1
161.06013	0.7
162.03197	0.5
163.00374	2.5
163.04002	2.2
163.06042	3.5
164.01085	2.7
165.01868	2.6
167.03496	0.5
168.00696	1.0
169.01396	6.6
171.04453	1.0
172.05197	1.1
174.03145	0.7
175.03987	2.0
176.01176	1.4
176.04739	1.0
177.01942	2.0
178.02589	0.6
178.99815	55.4
180.00221	2.4
185.06061	0.7
186.03214	0.7
186.06824	0.6
187.03966	1.8
187.11227	0.6
188.04805	0.8
189.01955	1.5
190.02672	2.9
191.03488	1.1
192.00603	6.2
193.01376	9.8
196.05400	0.6
199.04063	0.8
200.04771	0.7
201.05475	0.8
203.03471	7.0
205.01477	2.3
205.05132	0.8
207.03017	1.5
209.11864	1.1
212.04842	2.4
213.05632	0.6
214.02728	1.4
215.03488	2.4
217.01541	1.5
219.02979	3.9
224.04834	0.9
225.05582	1.0
227.03592	2.2
228.04243	1.1
230.02193	0.9
231.02945	2.6
233.00931	0.9
233.04581	3.3
238.06050	0.7
239.14552	0.6
240.04343	1.6
241.05104	1.3
242.02361	0.7
243.02988	2.6
244.03740	1.4
245.00906	4.0
245.04623	2.3
247.02498	0.9
247.17116	2.0
253.05171	0.6
254.05911	0.9
255.03006	2.1
256.03870	5.2
257.04608	0.9
257.15414	1.1
259.02509	17.1
260.02936	1.8
269.04681	2.4
270.05423	2.0
271.02676	1.8
272.03342	0.7
273.14984	0.9
275.16666	1.8
279.06699	0.6
279.12454	1.6
280.03848	0.7
281.04843	0.7
282.05493	1.1
283.02448	0.6
283.13538	1.4
284.03351	1.8
285.04172	1.7
287.02066	9.2
288.02606	1.8
289.07254	1.0
294.05344	0.6
295.13388	0.7
296.06903	0.7
297.04227	0.8
297.18735	0.9
298.01349	1.1
298.04865	0.8
301.14514	2.7
303.16083	1.1
305.14014	1.9
309.04172	1.3
311.01788	0.7
311.05609	0.9
312.02762	0.9
313.14529	0.9
319.15408	2.9
324.02811	1.0
329.14099	1.6
341.17719	1.3
347.15024	4.9
348.15515	1.1
351.16232	1.0
357.17099	0.7
365.17981	0.7
369.17352	1.0
381.17261	0.9
385.16559	1.3
387.18024	0.7
393.17352	0.9
407.15021	0.7
409.16556	3.3
410.17120	1.1
411.18488	0.7
419.14902	0.9
425.16150	9.2
426.16739	1.3
427.12628	0.8
427.17758	8.0
428.17990	1.0
435.14478	0.8
437.16159	6.2
438.16547	1.0
443.17081	0.9
453.15717	6.4
454.16003	1.4
455.17270	23.7
456.17944	3.2
457.15231	1.6
463.13907	3.8
471.16989	3.2
481.15115	66.9
482.15433	9.8
483.20404	10.0
484.20554	1.2
499.16187	100.0
500.16629	13.0
541.17328	4.5
585.32703	2.0
627.21161	1.5
645.21960	77.6
646.22333	15.0
646.33063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83316	0.3
57.03331	1.6
59.01273	2.2
61.98711	1.8
63.02278	3.1
65.00204	5.3
65.96410	0.4
69.30225	0.5
69.30615	3.5
71.01267	1.4
73.02827	0.5
79.95610	0.8
80.96394	2.3
81.03313	0.4
83.01275	4.3
85.02835	0.7
89.02308	0.7
93.03350	0.7
94.97949	0.6
95.01270	0.7
95.04936	0.6
96.95902	1.4
97.02834	0.4
101.02364	1.1
107.01295	10.5
108.02125	0.7
109.02868	1.5
113.02309	0.7
119.01242	0.4
119.04974	0.5
120.69288	0.4
121.02849	0.5
123.00803	0.5
123.04405	0.7
124.01597	2.0
125.02362	11.6
125.90427	0.4
131.04939	0.5
132.02110	0.5
133.02919	0.5
135.00793	0.9
135.02899	0.5
135.04410	0.7
135.56641	0.4
136.01550	0.6
137.02333	2.0
143.04872	0.7
145.02888	0.5
146.03622	0.5
147.04402	0.6
149.02408	0.8
151.00308	36.1
152.01120	4.1
152.98453	0.6
153.01857	0.6
158.03647	0.7
159.04445	1.2
160.05142	0.5
161.02368	1.0
161.05939	0.5
163.00319	2.2
163.03952	0.9
164.01074	1.1
164.98546	0.6
165.01848	1.4
169.01369	4.4
171.04433	0.6
172.05180	0.8
173.06018	0.5
174.03165	0.8
175.03932	0.7
176.01114	0.9
177.01859	1.7
178.02528	0.4
178.99820	33.9
180.00169	1.0
185.02278	0.4
186.06839	0.6
187.03970	1.4
188.04834	0.6
189.01878	1.5
189.05595	0.5
190.02573	1.1
191.03482	0.8
192.00650	3.0
193.01410	8.0
198.03214	0.7
199.03944	1.8
200.04695	1.0
201.01926	1.2
203.03476	4.5
204.04132	0.7
205.01398	1.1
207.02928	1.0
211.03955	0.9
211.73915	0.4
212.04730	1.1
213.01814	0.4
214.02696	1.6
215.03526	2.8
216.04257	0.6
217.01471	1.2
217.04994	0.6
218.01979	0.8
219.02983	1.5
224.04701	0.5
225.00681	0.8
225.05695	0.4
226.02711	0.4
226.06377	0.4
227.03506	1.3
228.04263	0.6
229.04907	0.5
229.15977	0.6
230.02229	0.8
231.02971	2.2
232.03784	2.2
233.00783	0.5
233.04504	1.4
238.01141	0.6
240.04233	1.4
241.01427	0.6
241.05118	0.5
242.02162	2.8
243.03038	7.4
244.03748	0.8
245.00922	2.6
245.04596	1.3
246.01701	0.5
247.02489	1.5
255.02977	0.5
256.03873	2.4
257.04373	0.6
259.02512	9.0
260.03140	1.5
261.04068	1.5
269.04657	0.8
270.01675	1.0
271.02499	3.2
272.03323	1.4
273.04004	0.7
277.14374	0.8
280.04083	0.5
281.04706	0.7
283.02548	1.6
283.05884	0.5
284.03320	1.6
287.02026	12.6
287.12827	0.5
288.02792	10.0
289.03531	0.6
294.05298	0.7
295.17010	0.4
297.00589	0.7
298.01263	13.2
298.04495	0.6
299.01614	1.4
300.02829	0.7
301.14545	1.5
305.14050	3.5
309.04132	1.0
311.02161	0.6
311.12784	0.9
312.02734	0.7
315.01556	4.5
316.02295	12.6
317.02441	1.1
324.02728	1.4
329.13934	2.8
337.03555	0.7
347.15253	0.7
357.17358	0.6
367.15637	0.6
381.17249	0.6
381.44147	0.5
383.14352	0.5
391.15668	0.6
395.15161	0.5
407.15091	0.7
409.16949	0.6
425.16116	3.1
426.16669	0.6
427.13501	0.5
435.14468	1.5
437.16449	1.8
452.15045	0.5
453.15628	25.7
454.15976	3.5
455.12677	1.0
455.17548	1.6
462.08417	2.4
463.08655	0.3
463.14175	7.0
464.14407	1.0
471.16617	3.1
481.15131	100.0
482.15491	15.7
499.16205	61.5
500.16516	8.1
503.34000	0.6
523.16003	1.6
585.32404	0.6
599.21259	1.1
609.25922	0.9
627.21014	4.4
628.21368	0.8
645.21948	7.9
646.22699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	4.4
58.41636	0.6
59.00995	0.6
59.01261	6.9
61.98697	2.0
63.02266	1.9
65.00209	3.5
69.03313	0.9
70.90390	1.4
71.01261	3.4
72.99184	2.2
73.02827	1.5
73.83530	0.6
75.00755	0.9
78.51648	0.6
81.03348	0.8
82.44794	0.6
83.01262	3.9
85.02823	1.9
89.02326	2.3
93.03375	1.1
95.01266	2.0
96.95908	4.9
97.02823	0.9
101.02321	2.1
107.01278	4.9
107.04975	0.8
108.02056	0.7
109.02848	1.1
111.00780	0.8
113.02334	2.4
115.00295	0.6
119.03391	0.8
119.04922	1.0
121.02894	1.3
123.00777	1.3
123.04417	1.0
124.01576	3.7
125.02360	38.9
126.02691	1.3
132.00539	0.6
135.02933	1.4
135.04410	1.2
137.02339	3.9
139.00270	0.7
141.01830	0.8
149.02428	0.7
151.00310	18.1
151.07559	2.4
152.01083	14.5
153.01727	0.9
163.03906	0.7
164.01048	1.5
165.01865	5.3
165.05443	1.0
166.02396	1.3
167.38817	0.6
169.01448	3.1
176.01146	0.8
178.99808	21.6
179.03389	1.8
179.05608	0.6
180.00102	0.9
185.11754	3.6
191.03516	1.3
192.00592	5.0
193.01367	5.5
195.06624	1.0
197.06021	0.8
199.09657	0.8
201.11368	0.7
203.03491	1.0
205.01404	1.8
207.02934	0.7
209.11760	1.7
211.03960	2.7
215.03587	0.7
219.02992	3.4
225.05507	0.9
225.11095	0.6
227.03326	0.8
229.10811	2.1
229.15985	1.0
239.03481	1.5
240.04156	1.0
241.05054	0.9
259.02466	1.1
268.03784	2.6
269.01627	1.1
269.04590	22.0
270.04941	1.5
271.06174	1.0
279.12357	2.2
281.15619	0.7
287.02017	3.1
288.02719	1.7
289.07196	1.3
295.17059	0.9
297.18799	0.9
299.05563	0.7
299.16565	1.3
300.02649	0.9
301.14560	0.7
323.16537	1.9
341.17642	4.6
355.04721	1.5
355.12341	0.8
365.17734	1.4
372.89368	0.6
381.16989	0.7
391.15613	4.0
399.14331	1.0
407.14966	1.2
409.16620	12.7
410.17001	1.7
425.16248	3.2
427.17703	42.1
428.17914	4.5
437.16434	1.3
453.15573	1.5
455.12744	12.3
455.18661	0.6
456.13797	1.6
463.14029	2.1
469.18762	1.0
481.15134	18.5
482.15280	3.1
483.15921	1.2
499.16183	100.0
500.16537	13.0
541.17133	2.6
573.23572	1.7
601.19379	0.7
627.21161	0.8
627.38049	1.3
645.21942	12.7
645.30450	3.7
646.22339	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	647.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53893	1.4
54.40765	1.2
55.01762	3.3
56.89366	1.3
57.03341	3.9
58.00464	1.2
58.02872	2.2
59.01263	100.0
61.98716	9.3
62.38593	1.2
69.03343	3.9
70.06235	1.2
71.01266	67.6
71.56061	1.8
71.56429	1.6
72.99196	4.2
73.02836	21.8
74.02362	3.2
75.00767	1.5
78.95828	3.0
80.96419	2.7
81.03334	1.5
81.07006	2.0
83.01283	12.4
85.02842	39.0
86.02380	2.4
87.00768	30.3
87.01275	2.0
87.04420	2.7
89.02339	34.8
90.02719	1.2
95.01292	6.9
95.04916	1.7
96.95920	4.6
97.02869	7.9
99.00784	5.1
99.05540	3.1
101.02345	54.6
101.07099	1.2
113.02361	29.5
115.03938	3.4
116.92769	2.6
117.03351	1.7
119.03411	14.5
119.04923	2.3
124.01591	12.1
125.02385	25.6
128.03471	10.8
131.03400	3.6
142.02745	1.3
143.03433	38.0
143.04561	14.1
145.02899	4.1
145.91273	1.4
149.04518	3.2
149.13319	2.0
151.00383	1.4
159.02925	3.1
160.00684	3.0
161.03209	2.5
161.04501	44.0
162.04774	1.5
167.04636	1.7
179.05621	24.0
185.04396	1.3
195.46867	1.4
203.05568	4.5
209.11777	2.2
210.08826	4.1
219.17513	2.5
221.06648	8.9
235.08247	8.2
237.18616	23.1
238.19095	1.9
254.07848	3.5
263.07858	9.5
272.08929	5.1
288.06693	2.4
305.08884	2.6
306.07715	34.9
483.60764	1.4
507.41330	1.4
543.28253	5.5
561.29260	32.8
562.29541	3.9
603.30182	4.4
647.23193	1.9
647.36060	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	647.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90698	0.7
61.98710	4.7
71.04900	0.8
71.56606	1.3
74.84302	0.7
80.66039	0.7
83.04919	1.1
85.02941	0.6
98.25722	0.7
114.26357	0.7
117.03368	26.1
118.03690	1.4
119.04946	11.5
121.02864	1.6
145.02882	100.0
146.03235	5.0
146.99866	0.6
162.03142	1.0
163.03920	2.5
184.39888	0.6
189.91074	0.9
266.39056	0.7
277.44592	0.6
343.61456	0.6
350.99664	0.7
352.33670	0.7
485.32727	0.9
487.34274	2.7
488.34457	1.1
500.70193	0.7
581.48633	0.9
585.35468	0.9
603.37408	1.7
613.44592	0.7
647.35968	75.2
648.36713	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	647.3603
Annotation	Hydratoperidinin
Peak:m/z	Relative Intensity
51.48590	0.3
57.03325	0.4
59.01249	1.0
59.86961	0.3
61.98712	0.7
67.17807	0.3
70.72073	0.7
70.72451	0.6
71.01260	0.4
71.04924	0.4
77.95006	0.3
78.59154	0.3
79.09538	0.3
80.63374	0.3
82.95622	0.3
83.04902	1.5
85.02829	2.9
86.05337	0.3
92.00886	0.3
96.95906	1.4
99.27559	0.3
116.92765	0.4
117.03372	26.6
118.03696	0.8
119.04935	12.1
120.05292	0.4
121.02863	1.5
123.04418	0.6
129.01860	0.9
134.03676	0.3
145.02879	100.0
146.03229	4.2
147.02914	0.6
147.04469	0.3
162.03152	0.6
163.03944	3.4
164.04373	0.3
171.10086	0.4
173.00934	0.4
191.01927	1.1
208.27467	0.3
209.11746	0.4
241.32060	0.3
483.30994	0.5
485.32635	0.3
501.23773	0.5
511.02112	0.3
551.73541	0.4
565.29492	0.5
593.43536	0.4
603.37421	2.7
604.37604	0.6
629.35120	0.5
647.36029	69.1
648.36316	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	647.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.3
61.98713	0.8
68.25391	0.1
69.23553	0.1
71.57877	0.4
85.02849	0.3
96.95909	0.2
110.91211	0.2
117.03376	24.6
118.03707	0.9
119.04941	4.3
121.02844	0.3
134.03648	0.4
145.02885	100.0
146.03230	3.7
156.03471	0.2
160.84138	0.2
162.53642	0.2
163.03969	3.0
175.04001	0.3
191.01923	0.3
193.04976	0.2
249.43283	0.2
377.28424	0.3
407.29593	0.3
435.29019	0.2
451.28604	0.5
453.30200	2.4
454.30780	0.4
483.31195	0.6
485.25696	0.4
487.34546	0.2
496.52432	0.2
501.32535	0.4
647.36005	50.0
648.36493	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	648.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54081	0.4
58.02855	5.2
59.01267	1.9
61.98712	2.0
66.03365	0.6
70.02864	0.7
70.85730	0.6
70.86096	1.3
71.01262	1.4
72.00797	0.9
74.02357	12.5
82.02876	1.1
85.02856	0.6
86.02374	3.9
86.06004	0.4
86.98987	1.1
87.00774	0.4
87.05499	2.5
88.03941	0.5
89.02342	1.0
90.00085	1.3
96.95895	3.0
97.03959	1.2
99.05540	7.9
101.02327	1.2
101.07094	1.7
102.05479	1.1
107.06036	0.6
109.03987	1.1
109.07605	0.7
111.05585	0.9
112.03954	1.2
113.02394	0.8
116.01717	0.6
116.92769	0.9
120.01182	0.6
121.03989	0.4
123.05547	1.3
123.41799	0.4
125.03472	1.1
127.05066	1.4
128.03456	28.2
129.03835	0.5
129.99591	0.8
131.04526	0.6
135.05576	2.4
137.07135	0.5
139.04997	0.4
141.06674	2.8
143.04556	37.2
144.04915	0.5
145.02875	0.7
145.06152	1.8
146.04543	2.7
152.99492	0.4
153.06622	2.7
160.00685	11.4
166.09865	1.9
167.04581	3.4
167.08195	1.3
171.10275	0.4
177.03355	4.2
178.12639	0.4
179.04567	8.4
181.06151	1.5
184.10904	1.0
185.05672	1.1
192.07817	0.7
197.05661	1.3
198.08763	0.6
209.11871	0.7
210.08829	7.7
219.10054	0.4
229.09027	0.4
231.04468	0.6
242.07796	1.1
242.43675	0.4
252.62010	0.4
254.07903	8.3
271.13382	0.4
272.08923	15.2
273.09213	0.8
285.09641	0.4
288.06638	6.1
289.06693	0.4
306.07709	100.0
307.08014	4.6
339.16312	0.7
395.55338	0.4
442.82837	0.4
588.33630	0.4
649.37384	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	648.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82452	0.4
55.11325	0.5
57.01650	0.5
61.98716	100.0
69.27715	5.2
70.34839	0.5
93.75620	0.5
105.57015	0.4
109.83655	0.5
158.02223	0.5
338.03244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96775	0.1
52.27608	0.1
59.01254	0.2
67.39937	0.1
71.04906	0.7
76.63788	0.1
79.92516	0.1
79.97607	0.1
83.56976	0.1
89.03893	0.2
96.00192	0.1
117.03372	24.9
118.03669	0.8
119.04939	10.0
120.05246	0.2
121.02877	1.1
123.04465	0.4
125.02380	0.1
133.02859	0.3
145.02884	100.0
146.02071	0.2
146.03224	4.6
162.03136	0.5
163.03944	2.1
229.62808	0.2
238.21530	0.1
437.30594	0.4
455.31787	0.4
485.32846	1.1
486.33087	0.2
490.44971	0.2
503.33765	0.6
529.31689	1.0
530.30920	0.2
545.39545	0.1
579.27618	0.2
605.38464	0.8
606.38806	0.2
631.36316	0.2
649.37573	78.6
650.37903	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	649.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89968	0.2
55.06978	0.3
61.98707	0.3
63.71880	0.3
67.13268	0.2
67.34547	0.2
71.12782	0.5
76.34386	0.2
77.68709	0.3
86.44371	0.2
96.95876	0.4
105.03357	0.3
117.03356	0.5
132.02090	1.2
133.02876	27.8
134.03574	0.9
135.04439	4.2
137.02357	0.9
139.03934	0.3
161.02382	100.0
162.02731	4.0
171.10223	0.5
178.02751	0.4
179.03415	2.5
289.17944	0.3
307.19101	0.4
421.31369	0.4
439.32135	0.6
467.31778	0.4
471.34918	0.7
487.33835	0.2
513.32581	0.3
649.37585	75.2
650.37915	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	649.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74680	0.3
54.05402	0.3
57.76006	0.3
59.01272	0.5
61.98712	0.9
65.52400	0.3
71.01285	0.4
71.04898	0.3
71.27596	0.4
71.27959	0.6
81.64953	0.3
85.58316	0.4
98.40705	0.3
117.03373	24.9
118.03722	0.7
119.04942	6.8
121.02904	0.5
133.02875	1.3
135.04414	0.6
142.49419	0.3
145.02882	100.0
145.13530	0.3
146.03223	4.8
161.02385	3.9
162.83815	0.8
163.03960	3.0
218.16547	0.3
223.81236	0.3
244.18037	0.3
244.50163	0.3
437.29956	0.3
439.32257	0.5
455.31516	0.4
485.32675	1.1
487.34506	1.9
488.34778	0.4
503.34280	0.8
529.31635	0.7
567.33264	1.2
587.36945	0.4
649.37585	58.5
650.26996	0.7
650.37909	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	649.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01408	0.1
59.01255	0.5
59.09747	0.1
62.41169	0.1
66.88060	0.1
70.85960	0.4
71.04893	0.6
79.63994	0.1
83.04903	0.1
89.03851	0.2
90.84086	0.1
117.03373	25.2
118.03729	0.8
119.04940	10.3
120.05275	0.2
121.02879	1.1
123.04457	0.3
124.34338	0.1
133.02881	0.3
134.03687	0.2
136.49324	0.1
145.02884	100.0
146.03220	3.8
147.04422	0.2
162.03146	0.5
163.03955	1.9
221.32521	0.2
288.30417	0.1
297.74579	0.1
300.67944	0.1
309.20883	0.1
321.00049	0.1
353.24872	0.2
425.31030	0.2
437.30768	0.3
455.31836	0.3
485.32837	1.5
503.33798	0.6
520.69678	0.1
529.31958	1.1
587.37756	0.1
605.39014	0.7
631.35883	0.4
649.37567	69.7
650.37933	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	649.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59256	0.1
53.59117	0.1
56.08948	0.2
57.23925	0.1
58.61160	0.1
61.98697	0.2
70.05699	0.8
107.73161	0.2
112.04509	0.1
117.03372	21.8
118.03699	0.8
119.04937	4.2
121.02853	0.3
136.70079	0.1
145.02881	100.0
146.03224	3.6
150.99149	0.2
163.03955	3.0
170.27615	0.2
192.68184	0.2
254.75775	0.2
301.84030	0.2
423.28995	0.3
437.30612	0.5
453.30139	0.7
455.31824	3.6
456.32068	0.4
466.05383	0.2
485.32507	0.4
503.34070	0.4
529.31860	0.2
587.37659	0.4
649.37561	50.5
650.37885	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	651.368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.2
59.01200	3.6
61.98674	0.6
62.38593	0.5
67.70820	0.5
69.78756	2.9
69.79174	0.9
78.95739	1.2
81.03340	1.0
81.22453	0.6
83.04859	0.7
93.21684	0.5
95.04839	1.0
97.02856	2.7
97.06447	0.8
106.04100	0.6
109.06463	1.4
111.15117	0.6
114.16752	0.5
117.03369	0.5
121.06483	0.7
123.04333	2.2
123.08033	1.3
125.09642	5.1
135.08025	1.8
137.09673	2.8
141.05428	1.8
141.12706	1.0
145.02859	0.8
149.05960	1.1
152.99515	1.0
153.09120	4.8
156.25562	0.6
161.09549	0.6
163.11223	5.5
165.09140	0.8
165.12692	0.7
171.10225	7.2
177.12769	1.1
179.10625	0.6
181.12271	1.1
185.11800	5.7
186.12062	0.6
189.12714	0.6
191.14413	7.4
197.11722	1.5
206.26932	0.6
207.10336	4.1
209.11815	3.6
211.13194	0.5
217.15854	0.9
225.11322	3.7
227.17929	0.7
234.97534	0.5
235.20190	0.7
245.19122	19.1
246.19511	1.5
247.16977	0.6
255.12390	0.7
261.18549	0.6
271.16974	1.6
289.18149	71.5
290.18552	5.1
299.20261	1.8
307.19214	100.0
308.19537	7.5
325.20270	25.6
325.24213	1.0
326.20670	1.8
371.82428	0.6
381.45148	0.6
443.27829	0.8
561.35852	0.7
579.37244	2.3
597.38068	3.1
615.38556	3.6
649.06952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4126
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
50.55017	0.6
59.01260	15.3
61.98714	1.1
71.01265	16.0
71.57014	0.8
85.02829	1.4
87.00762	1.1
89.02335	20.6
96.95890	1.0
101.02338	6.5
101.54971	0.7
113.02365	3.3
119.03410	4.0
125.18505	0.7
131.03456	1.9
143.03426	2.4
149.04449	1.4
161.04475	3.1
176.40340	0.6
178.95007	0.7
179.05551	14.3
204.82979	0.7
210.57411	0.8
219.13519	0.7
233.02280	0.7
471.34869	100.0
472.35217	15.5
553.35645	3.9
554.36133	1.4
651.24518	3.9
652.25989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
57.03331	1.3
58.00480	2.4
59.01263	41.2
60.01600	0.4
61.98722	0.2
67.01777	0.3
68.99699	0.6
69.03342	2.2
69.18960	0.1
71.01266	38.2
72.01600	0.5
72.45378	0.1
72.99188	2.9
73.02833	6.2
75.00765	0.8
81.03340	1.5
83.01276	4.4
83.01779	0.2
83.04919	0.3
84.02065	0.2
85.02840	8.4
86.00009	0.4
86.03184	0.2
87.00767	9.9
87.04411	0.4
89.02335	31.2
90.02695	0.4
91.03889	0.7
93.03352	0.4
95.01285	2.5
95.04939	0.3
97.02847	6.1
98.03150	0.2
98.19733	0.3
99.00778	2.3
99.04421	0.4
101.02342	31.5
102.02696	0.6
103.00290	0.4
103.03901	0.4
109.02872	0.7
111.00801	0.7
111.04431	1.1
112.01614	0.3
113.02352	15.3
114.02710	0.5
115.03911	0.8
119.03413	9.8
121.02887	0.7
123.00814	0.3
123.04440	0.5
124.01566	0.5
125.02363	14.3
126.02711	0.2
127.03957	0.3
129.01884	0.5
131.03413	1.8
133.04068	0.2
133.04977	1.0
137.02357	0.4
139.03955	1.0
141.01875	0.6
141.05501	0.2
143.03430	6.4
144.03789	0.3
149.02412	0.2
149.04451	0.9
157.04979	0.3
161.04497	6.8
162.04875	0.2
167.03456	0.8
169.05003	0.5
171.02953	0.2
179.05571	6.5
180.05852	0.2
181.05069	0.3
185.04518	0.6
192.64111	0.2
199.06096	0.4
203.05612	0.5
209.90367	0.1
217.07188	1.2
219.05052	0.3
221.06688	2.5
235.08243	14.3
236.08670	0.7
237.22166	0.2
245.06671	0.6
253.09309	3.5
255.23317	100.0
256.23657	8.6
263.07651	1.3
265.83829	0.1
269.24789	0.4
277.09430	0.8
287.07764	3.6
288.08176	0.3
297.24677	0.3
305.08829	4.3
306.09216	0.2
323.09872	1.8
324.10730	0.2
361.11441	0.5
379.12497	1.1
397.13562	90.6
398.13901	7.5
415.14642	31.9
416.14902	2.7
461.36801	0.2
653.27094	0.2
653.37439	0.8
654.28522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35260	0.7
54.80911	0.6
56.97085	0.7
57.03329	0.9
59.01256	1.0
60.21159	0.7
61.98714	26.3
63.02263	1.8
65.00193	2.9
71.56184	0.9
75.47382	0.7
80.74254	0.6
83.01279	2.5
93.03360	1.5
107.01296	5.9
109.02847	6.6
119.04993	0.7
121.37214	0.8
124.01553	1.2
125.02342	2.9
135.00739	0.9
135.02847	1.6
135.04404	0.8
137.02344	2.9
151.00291	19.5
152.01083	2.4
153.01826	1.1
159.04451	1.7
161.02370	2.7
163.00310	3.1
169.01341	2.8
170.64450	0.7
177.01935	1.2
178.99818	20.7
179.03416	2.1
185.06021	1.3
187.03963	2.8
189.01877	1.5
190.02614	0.9
197.05994	1.0
199.04041	1.6
202.20088	0.8
203.03520	1.3
211.04031	1.9
213.05542	1.8
217.01347	1.2
219.02943	1.0
220.03763	4.4
227.01344	1.6
227.03482	25.1
228.03923	1.8
229.05066	9.7
239.03461	2.6
241.05017	1.6
243.02983	1.7
247.02330	0.8
255.03015	48.8
256.03568	7.3
257.04526	6.2
267.03137	1.5
271.02490	2.9
283.02475	2.1
284.00031	1.8
284.03311	61.6
285.04071	82.2
286.04486	5.6
287.02017	1.3
297.04068	1.3
311.01950	1.5
315.01611	1.6
316.02252	2.5
317.03036	12.4
325.03632	0.9
327.01511	3.1
327.04987	1.0
332.90128	0.8
351.01471	3.2
357.40009	0.8
368.01917	1.8
369.02435	3.5
383.03998	1.7
384.04700	1.0
401.05173	3.5
419.04160	1.1
479.06210	11.0
511.08847	3.1
515.08575	1.9
534.94476	0.8
547.10956	9.5
593.15222	100.0
594.15485	17.5
625.12366	3.2
657.14728	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	657.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	22.6
59.50731	4.1
65.00208	16.5
67.01772	6.6
69.03309	5.0
70.48251	16.4
70.48631	3.8
71.01266	14.0
72.99194	6.8
83.01274	8.4
85.02810	8.7
87.00742	5.0
93.03358	8.9
95.01294	16.2
98.19868	4.9
99.00782	19.7
107.01273	21.1
109.02851	44.8
111.00768	25.9
117.03413	7.7
119.01207	5.9
119.04926	7.2
121.02854	10.3
123.00777	25.5
124.01585	7.3
125.02355	18.0
127.00282	9.5
133.02843	10.6
135.00883	5.3
135.02910	5.3
135.04462	7.9
136.98691	8.2
137.02374	19.7
139.00304	29.1
141.01895	5.8
143.04948	8.9
145.02859	12.6
147.04437	10.1
148.01585	13.0
149.02402	16.8
151.00307	49.9
152.01042	13.6
153.01923	13.9
154.99760	29.2
159.04453	16.2
161.02412	12.7
163.00293	17.7
163.04033	5.5
164.01125	5.9
164.98216	7.4
165.01878	24.5
165.99039	12.3
166.99785	37.7
168.00591	5.2
169.01360	12.7
169.02808	5.3
173.02425	5.8
175.00296	5.0
175.03958	12.4
176.01010	4.8
177.01958	30.7
178.99832	52.6
179.03462	8.2
180.00484	5.1
180.04262	7.5
181.01404	36.2
182.01831	5.3
184.00105	11.5
185.02374	6.2
187.03943	26.1
189.01906	14.0
190.99884	9.4
191.03418	15.6
192.00484	7.0
193.01312	12.9
194.99374	26.0
195.02930	5.1
195.06583	14.9
199.03960	5.6
201.01903	12.9
203.03508	18.0
205.01451	11.1
206.02081	5.6
208.00110	5.5
209.00836	12.2
209.08145	5.6
213.01944	16.4
215.03513	32.4
217.01347	9.6
219.03003	6.5
222.98705	5.0
225.07663	17.8
227.03410	9.7
229.01373	9.9
230.02196	7.8
231.02921	33.1
232.03786	7.1
241.01471	13.9
243.03036	31.4
245.00977	10.5
245.04465	8.5
247.02650	8.4
249.03978	6.8
255.03084	8.1
257.00885	8.0
257.04465	4.9
258.01773	7.3
259.02539	44.5
261.04013	9.6
269.00912	5.8
270.01413	5.3
271.02490	29.3
273.03867	4.6
274.01260	8.7
275.01947	14.4
276.02853	5.6
277.03513	4.8
285.00394	12.6
285.04010	8.2
286.01184	8.2
287.02032	100.0
288.02426	12.7
299.02039	11.1
300.02646	29.5
301.03622	18.6
303.01569	29.5
304.02261	6.5
305.03143	13.1
312.99957	18.0
313.03189	5.1
314.90640	4.8
315.01486	76.7
315.35696	4.7
316.02081	16.0
317.03076	15.1
331.01044	69.2
331.04648	8.8
332.01355	8.1
333.02420	8.4
349.01923	6.8
441.21652	4.8
463.08984	7.1
489.12634	14.1
501.12738	26.1
501.19617	4.5
503.14023	11.0
517.12201	9.7
521.11353	28.6
547.13428	8.9
583.13269	14.0
585.14941	7.3
595.13062	11.6
609.14703	15.3
611.12781	5.1
613.14069	15.2
624.13580	21.0
625.13794	5.2
627.15710	11.7
639.12891	28.2
657.13184	58.8
658.14581	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	657.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02293	3.6
63.53011	2.4
65.00201	7.0
69.47239	6.0
69.47662	11.9
75.00798	2.9
83.01290	4.2
83.88987	2.0
85.02828	3.0
92.50479	2.0
93.03346	2.3
99.00777	2.8
107.01273	7.9
109.02853	3.3
111.00784	9.3
119.04944	2.8
123.00758	11.1
125.02397	12.4
125.03210	2.5
127.00269	2.6
131.04987	2.2
135.00818	3.3
137.02356	5.9
138.69850	2.3
139.00301	13.7
140.01021	2.7
141.01724	1.9
143.04906	2.3
145.02907	2.2
149.02333	4.8
149.99496	2.8
151.00327	29.1
152.01097	3.6
153.01855	3.2
154.99841	5.9
159.04478	4.8
161.02350	6.3
163.00343	4.6
163.03923	3.1
164.01056	3.4
164.98193	3.8
165.01866	8.6
166.99771	5.1
168.00565	5.5
169.01347	6.9
174.03069	2.6
175.03966	6.2
177.01900	9.9
177.99057	3.9
178.99811	61.1
179.03537	4.2
179.05568	6.4
180.00433	4.6
183.29643	2.5
187.03893	4.9
189.01886	5.7
190.02707	4.6
190.99840	5.9
191.03477	5.0
192.00572	4.1
193.01318	11.6
194.99277	4.3
197.00841	2.7
201.02010	3.9
203.03471	16.0
205.01408	6.2
206.99342	2.6
213.01883	5.0
214.02644	2.2
215.03436	9.1
217.01443	9.4
218.02142	3.8
219.02992	7.4
221.00824	2.2
222.98897	3.7
229.01360	5.9
231.03017	14.0
233.04510	5.9
235.02504	3.6
241.01440	5.9
243.03003	8.9
245.00952	5.7
246.01582	4.2
247.02470	5.9
248.03169	5.0
257.00970	4.6
258.01743	5.1
259.02493	25.7
261.00461	11.0
261.03778	2.2
263.02084	2.5
271.02411	10.1
274.01135	5.9
275.02032	5.1
276.02667	3.1
277.03714	3.4
285.00513	7.5
286.01312	3.2
287.02036	43.1
288.02576	5.6
302.00653	4.1
303.01465	26.4
304.02170	7.7
305.03085	4.2
312.99997	17.4
315.01575	22.8
316.02261	19.1
317.02960	8.8
320.01776	2.8
330.00137	7.3
331.01019	100.0
332.01489	8.7
333.02609	2.5
348.01413	11.6
349.01929	7.4
479.08478	4.6
505.12033	8.4
506.13126	3.0
517.11932	6.5
557.15491	4.2
585.14441	3.7
595.12775	2.7
613.13995	6.6
629.14087	2.3
637.17920	2.2
639.11957	31.4
640.12451	4.2
648.28754	2.3
657.13159	45.7
658.13196	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	657.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.3
59.01258	3.7
61.98713	2.2
62.97643	0.2
69.03332	0.6
71.01261	3.2
71.12253	0.2
72.99198	0.4
73.02828	0.4
80.02560	0.8
80.42709	0.3
81.03351	1.1
83.01265	0.6
83.04909	3.8
84.02059	0.6
85.02839	0.8
87.00768	0.8
89.02335	2.7
95.04895	0.6
96.95906	0.5
97.02823	0.3
97.06503	0.2
98.19806	0.7
101.02353	2.8
109.02877	0.4
109.06499	0.6
111.08016	0.3
113.02323	1.5
119.03391	0.7
123.04430	0.5
125.02374	2.4
125.05969	0.7
133.10977	0.2
135.08083	0.6
137.02370	1.0
145.04997	0.4
151.03914	0.5
151.17751	0.2
155.10724	0.3
161.04514	1.6
163.11224	3.1
165.01927	0.6
165.12827	1.9
167.03381	0.4
167.14351	0.7
171.10245	1.6
179.05527	0.4
181.12288	0.8
183.13860	5.7
184.14209	0.4
191.10797	0.8
193.12352	1.4
195.94614	0.3
199.13359	0.5
209.11804	91.1
210.10602	0.2
210.12157	6.2
211.13368	100.0
212.13710	6.9
221.05099	0.3
227.12875	14.7
228.13152	1.1
229.29836	0.4
235.08253	3.7
241.05231	0.3
249.12688	0.3
249.14865	1.4
253.09296	9.8
254.09564	0.4
289.07352	0.5
295.14120	0.3
362.81851	0.3
403.24939	0.7
421.25937	0.5
429.21252	0.3
445.20746	1.6
447.22418	4.9
448.22842	0.6
621.33008	0.8
639.33728	1.0
657.30060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01601	1.0
61.98717	1.1
66.35137	0.4
69.27966	4.6
71.24440	0.4
78.95825	2.1
87.58746	0.4
94.72735	0.4
98.19756	0.9
98.96541	0.5
101.67849	0.4
152.99533	0.4
192.07669	0.4
269.84094	0.4
276.43936	0.5
279.23502	0.8
286.88141	0.5
313.66855	0.4
659.36255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.0
59.01264	7.6
69.03344	2.2
71.01274	4.2
73.02847	1.3
78.95802	1.8
81.03339	4.3
83.01265	7.8
85.02829	2.9
89.02322	1.7
93.03352	3.4
95.01258	1.2
95.04919	4.0
96.95908	3.6
96.96871	0.9
97.02859	7.3
99.04377	1.0
101.02328	4.4
106.94747	0.8
108.02053	1.0
109.02861	25.4
113.02350	2.5
119.03393	1.6
119.04935	2.0
120.99541	3.2
121.02861	4.0
122.03642	1.7
122.06004	2.1
122.99144	0.8
123.04438	16.8
124.01534	0.8
125.02362	20.0
131.94357	0.9
132.04469	2.8
135.02940	1.4
135.04448	4.8
137.02370	45.7
138.02646	1.1
139.03925	5.6
145.02858	1.7
146.03694	1.0
147.04382	0.8
149.02379	8.5
150.03148	2.1
150.05516	0.9
151.03946	12.4
153.01849	1.4
157.06531	1.0
158.02495	1.4
159.04430	3.0
160.03938	2.8
160.05209	1.6
161.02373	3.1
161.06030	6.2
162.03131	2.9
163.03928	2.1
164.01068	4.9
165.01898	5.6
165.05530	1.3
167.03432	3.2
173.05986	1.5
175.03928	3.8
175.07581	2.8
176.03468	2.0
178.99849	0.8
179.03426	9.4
180.04131	1.3
185.06021	1.0
187.03952	6.4
188.04759	5.7
190.05042	9.9
191.03514	0.9
195.06618	1.3
199.07491	1.0
201.05536	0.9
202.06328	2.9
203.07120	19.1
204.07411	1.2
205.05051	11.8
209.08177	1.0
214.05125	2.2
215.07138	3.1
217.04929	0.9
217.08745	1.1
221.08174	3.7
224.09555	1.9
225.07779	1.9
227.07086	1.5
229.04953	1.4
229.90195	0.9
239.08182	1.4
239.11870	3.5
240.10362	1.1
241.09879	1.8
245.08220	24.0
247.06116	4.6
251.11876	1.0
253.06302	4.4
253.09851	1.2
255.11395	0.9
257.08353	1.1
267.07681	1.9
267.11423	1.8
268.08603	2.7
280.08612	3.9
281.09152	1.7
283.10944	27.8
284.11105	1.1
289.07254	58.2
290.07599	4.1
295.10947	15.0
296.11221	1.4
301.03961	1.4
301.07227	6.5
309.08926	3.1
315.13416	2.1
327.09836	7.6
327.13596	6.4
337.11996	4.2
339.09857	3.5
359.12448	9.9
360.12762	1.1
371.08197	0.9
371.12247	4.8
405.27930	1.3
411.15543	1.2
481.22571	2.4
509.09167	0.9
509.15784	21.1
510.16409	4.1
516.30426	2.6
517.31024	2.4
585.18787	3.4
617.21594	1.4
625.15515	1.0
629.17908	28.2
630.17902	4.7
643.18243	1.9
661.20441	100.0
661.37543	3.3
662.20813	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	661.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93235	0.3
54.38666	0.3
57.03337	10.5
59.01258	7.9
61.98724	1.0
65.00189	0.8
67.01791	0.5
69.03340	0.6
70.89980	0.7
71.01271	1.5
73.02824	0.4
79.26483	0.3
81.03343	6.6
83.01266	12.4
83.04916	0.4
85.02848	0.6
89.02341	1.0
93.03338	0.8
95.01287	0.7
95.04931	0.5
96.95908	2.5
99.04427	1.5
101.02338	0.5
107.01292	1.1
108.02084	0.4
109.02843	0.9
111.00726	0.3
113.02356	0.5
117.81364	0.3
119.04931	0.5
121.09941	0.3
123.04434	34.9
124.01570	1.4
124.04778	1.2
125.02361	93.5
126.02662	2.2
127.03925	1.2
127.24573	0.4
133.02905	0.6
135.04453	1.6
137.02361	1.4
137.06042	0.4
138.88065	0.4
146.03676	0.9
147.04440	0.6
149.02397	1.7
151.00301	5.7
151.03934	0.7
152.00908	0.5
159.04449	0.8
160.05232	0.7
161.02385	1.5
162.03159	1.5
163.03955	1.2
164.01160	0.4
165.01846	1.1
166.02682	5.7
167.03442	78.8
168.03795	3.1
173.06108	0.5
174.03174	0.6
175.03935	0.9
176.04739	1.3
177.01897	1.7
178.99940	0.5
179.03444	6.0
183.04538	0.4
185.06174	0.3
187.03947	1.1
188.04723	0.7
189.01834	2.3
191.03493	2.1
198.01653	0.5
199.07906	0.3
201.05560	1.0
202.06255	0.8
209.11830	0.5
210.06868	0.4
211.04062	0.4
211.13339	0.4
212.04791	0.4
213.05591	0.8
213.59125	0.5
216.00806	0.6
217.01436	1.6
219.02986	0.7
225.05608	0.6
226.06392	0.5
229.05107	0.7
230.05841	2.8
232.03787	0.4
233.04472	0.5
255.06593	0.4
269.08084	0.5
271.13416	0.9
283.13486	3.4
284.13669	0.5
288.06366	2.1
289.07022	0.5
289.14532	1.0
295.13257	0.5
301.14377	2.2
309.14948	0.6
313.14386	0.5
319.15726	0.6
325.14542	0.5
327.16132	0.8
337.14560	2.4
341.06543	1.8
351.01086	0.4
351.16214	1.8
353.13901	1.3
355.15607	3.1
369.17072	0.8
373.16574	7.7
374.16779	0.7
375.16080	0.6
377.17517	0.5
383.14969	0.8
393.17102	1.2
395.18527	0.7
396.19736	0.4
411.18262	1.5
413.19638	1.8
427.17752	1.9
437.19974	0.8
455.20932	1.0
481.18649	1.4
499.19821	100.0
500.20184	14.6
523.19568	1.2
533.18317	0.9
541.20868	1.0
577.56586	0.4
617.39478	0.4
643.21686	0.6
661.24988	11.2
661.36316	0.8
662.25891	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85473	0.2
57.18216	0.3
59.01265	36.1
60.01591	0.3
71.01266	2.5
72.99200	0.4
83.01286	0.4
85.02850	0.6
89.02329	2.1
90.13737	0.2
90.74083	0.3
96.95928	0.4
97.91125	0.2
99.08060	15.3
100.08389	0.3
101.02350	1.2
113.02358	1.1
119.03445	0.7
125.02341	0.4
127.07574	12.0
135.04451	0.5
143.03403	0.5
143.07167	0.3
145.08644	100.0
146.08940	3.2
146.09802	0.3
149.04501	0.3
153.01855	0.3
161.04469	0.3
161.14920	0.3
163.03973	0.3
179.03549	0.3
179.05605	0.8
187.09727	49.0
188.10089	2.5
227.03481	1.0
229.05002	0.3
229.89214	0.3
233.21953	0.3
255.03067	1.5
284.03314	1.5
285.04102	2.8
285.59909	0.3
431.09909	3.3
437.30685	0.4
471.31146	2.5
483.31342	0.4
525.02869	0.3
626.60474	0.3
663.37073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.6
57.03335	2.1
58.00479	2.7
59.01265	100.0
60.01608	0.8
62.58879	0.7
69.03352	1.7
71.01270	72.0
71.57211	1.5
72.01624	1.1
72.99184	4.4
73.02836	25.4
75.00768	2.0
83.01280	8.1
84.02069	0.8
85.02844	17.8
87.00778	5.6
87.08475	0.7
89.02338	46.8
95.01270	6.7
96.95933	1.5
97.02836	1.1
99.00796	3.1
101.02346	40.0
102.01809	0.7
102.02629	1.2
113.02360	43.3
114.02672	0.9
119.03423	22.5
119.04910	1.6
124.01616	1.3
125.02372	4.3
131.03421	3.9
135.02940	1.3
135.04507	1.4
137.02449	1.1
143.03450	8.3
146.42311	0.8
149.04510	3.6
151.07544	0.7
161.04492	12.6
163.03957	1.2
165.01860	1.0
178.99727	1.0
179.03362	0.9
179.03778	0.8
179.05573	17.7
221.06659	0.9
264.89578	0.8
269.76862	0.8
273.12628	1.5
281.09464	0.8
282.60208	0.7
306.11774	0.7
315.85483	0.7
327.17923	0.9
397.22632	4.1
415.23398	4.1
461.94620	1.0
480.24896	1.2
516.17786	0.8
531.45514	0.8
559.27661	41.4
560.28088	5.6
577.28754	43.3
578.29126	7.0
613.22845	0.8
619.29907	9.0
663.37482	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	663.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.6
57.03342	8.1
59.01264	100.0
61.98712	12.2
69.03337	3.6
69.36546	19.3
69.36952	5.1
69.58990	2.3
71.00896	4.1
71.01271	60.6
72.99203	4.8
73.02834	20.6
75.00768	4.0
78.95813	5.9
83.01281	12.5
85.02846	47.5
87.00772	30.5
89.02341	34.3
95.01302	5.5
95.66397	2.4
96.95934	9.3
97.02856	10.1
99.00774	7.4
101.02344	52.9
113.02365	29.6
115.03942	3.3
116.92759	10.9
117.03369	7.4
119.03422	16.4
119.04986	3.2
120.63660	2.4
124.01568	14.0
125.02363	24.9
131.03429	4.3
135.02908	3.1
135.04422	3.5
137.02350	6.7
143.03450	41.9
145.02885	23.1
161.02408	6.1
161.04501	43.7
163.03941	5.1
164.44696	2.5
171.10219	3.6
179.03432	3.1
179.03983	3.0
179.05592	28.5
185.06078	2.8
191.01991	4.1
203.05595	9.0
209.03104	4.0
209.11661	3.4
221.06638	6.3
235.08208	10.0
237.18616	21.0
261.08725	2.7
263.07748	9.1
305.08682	3.6
381.68237	2.8
407.45587	2.6
487.34079	3.0
501.32120	7.2
543.28534	14.5
544.27997	3.5
561.29230	38.9
562.29706	6.5
603.31476	20.4
663.36542	17.5
663.47040	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	663.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40815	0.1
59.01263	0.5
61.98712	0.7
70.68221	0.2
70.68560	0.3
71.04900	0.8
78.95790	0.2
83.04924	0.7
85.02843	0.7
109.02842	0.1
113.02415	0.2
114.28996	0.2
117.03375	25.4
118.03700	1.0
119.04939	6.7
119.55442	0.1
120.05265	0.2
121.02896	0.3
125.02394	0.2
125.28719	0.2
135.02908	0.2
135.04468	0.3
145.02887	100.0
146.03212	5.1
161.02440	0.2
162.03267	0.2
163.03955	3.5
191.01932	0.6
209.02994	0.2
261.03067	0.2
310.09637	0.1
346.84882	0.2
451.28577	0.5
469.29721	0.7
499.30511	0.4
501.32150	0.5
543.29877	0.4
577.20892	0.2
601.35315	0.2
619.36725	0.5
645.34369	0.3
663.35529	51.8
664.35834	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	663.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01262	2.4
61.98711	2.3
64.14280	0.4
69.43190	0.9
69.43599	2.6
71.01290	0.4
71.04895	0.9
72.99207	0.4
75.00781	0.4
78.95822	0.5
83.04903	0.8
85.02830	3.2
96.95932	0.6
98.19715	0.7
117.03371	26.2
118.03707	0.8
119.04160	0.3
119.04937	8.1
123.04428	0.4
125.02382	0.8
129.01825	0.4
135.02907	0.5
137.02354	0.5
145.02882	100.0
146.03200	4.4
163.03944	4.3
191.01973	2.0
209.12044	0.6
316.04276	0.4
388.05667	0.4
415.43744	0.5
449.72302	0.4
459.48907	0.5
469.29810	0.5
472.42459	0.6
501.32410	1.2
503.10510	0.4
517.32117	0.6
581.27649	0.4
619.36646	0.7
663.35535	50.9
664.35767	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	663.3767
Annotation	Quadranoside VII
Peak:m/z	Relative Intensity
55.01763	1.4
56.09969	0.6
57.03343	2.3
58.00482	4.0
59.01266	100.0
60.01579	1.2
60.35513	0.7
61.98709	1.1
69.03349	1.2
69.84599	4.3
71.01271	70.3
72.01627	1.0
72.99198	6.7
73.02834	5.2
75.00741	0.7
81.03355	0.6
82.36720	0.6
83.01275	4.4
85.02848	12.2
87.00780	7.1
89.02338	77.4
90.02687	1.2
95.01276	5.0
96.95927	2.8
97.02853	2.4
97.06502	2.1
99.00759	1.3
99.08071	0.8
101.02350	38.1
113.02359	26.9
119.03421	31.6
120.03766	1.0
123.04480	1.4
124.01620	0.8
125.02381	3.9
127.07617	0.7
131.03438	3.4
135.02919	0.9
135.04425	2.4
137.02388	1.7
143.03447	11.8
145.08650	8.4
149.04501	3.9
151.00299	1.2
154.08847	0.7
161.02469	0.9
161.04512	12.7
163.03944	1.1
165.01900	0.9
177.01897	1.0
178.99727	0.8
179.03397	1.4
179.03770	0.9
179.05579	29.8
187.09711	3.2
203.05635	1.1
211.13408	0.6
221.06619	0.9
235.08284	1.4
243.03000	0.7
255.03072	0.9
263.07748	0.8
271.02435	1.0
289.07288	1.1
299.01944	0.7
300.02985	0.9
301.03677	1.7
387.26276	3.1
401.27045	1.3
405.28046	1.8
423.29150	1.2
433.25888	2.5
437.30670	11.8
438.30902	1.9
439.28311	0.9
453.30301	4.4
469.29764	2.1
471.31256	85.7
472.31616	12.0
481.29816	0.9
483.31235	18.3
484.31677	3.1
515.30255	5.7
577.28925	1.6
619.39136	0.8
663.37726	21.9
664.38489	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81261	0.1
57.03318	0.1
59.01262	100.0
60.01596	1.0
61.32528	0.1
69.03325	0.2
70.95004	0.1
70.95306	0.2
71.01277	0.5
73.02841	0.9
78.95815	0.1
89.71497	0.1
97.47984	0.1
121.96885	0.1
134.07933	0.1
145.05054	0.2
394.46143	0.1
603.42822	1.4
604.43286	0.2
637.39502	0.1
647.42242	0.3
663.45166	0.8
664.45990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91630	0.2
59.01261	100.0
60.01596	0.7
61.98715	1.1
69.53379	1.9
71.01279	1.0
73.02851	0.9
75.24126	0.2
78.95763	0.4
86.76713	0.2
113.72819	0.2
145.05023	0.7
191.01953	0.2
202.06598	0.3
226.11671	0.2
243.45361	0.2
271.33093	0.2
287.67416	0.2
335.55432	0.3
452.26984	0.3
603.43079	1.5
608.28918	0.3
647.42340	0.5
663.35699	0.3
663.45166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20305	0.1
59.01262	100.0
60.01598	0.8
60.41307	0.1
61.94492	0.1
61.98716	0.7
69.03329	0.1
70.59420	0.4
71.01279	0.4
72.08656	0.1
73.02825	0.8
78.95764	0.2
139.58484	0.1
145.05029	0.2
174.10307	0.1
175.43816	0.1
219.26563	0.1
293.55194	0.1
335.34631	0.1
349.41931	0.1
438.24469	0.1
509.74030	0.1
551.19501	0.2
603.42944	1.0
604.43774	0.3
627.21960	0.5
647.41766	0.2
663.45087	1.4
664.45508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01591	1.0
61.98700	0.4
69.03334	0.4
70.70171	0.5
71.01279	0.7
73.02828	1.6
85.02837	1.1
87.04382	0.2
87.38185	0.2
96.95920	0.7
101.02351	0.2
114.67020	0.2
117.03371	6.6
118.03732	0.2
119.04942	2.5
121.02897	0.2
125.02322	0.2
135.04442	0.2
135.14438	0.2
145.02882	22.0
146.03223	1.0
161.02318	0.2
163.03975	1.3
189.03889	0.2
191.01991	0.5
321.77286	0.2
329.83121	0.2
422.38416	0.2
469.29529	0.4
487.34280	0.3
501.32083	0.3
603.42688	1.4
604.43256	0.4
647.42456	0.5
663.35583	10.3
663.44769	0.6
664.35980	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	664.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27009	0.1
53.17801	0.1
61.98716	100.0
66.03999	0.1
69.24835	1.5
79.17513	0.1
116.40619	0.1
117.14547	0.2
182.17059	0.1
211.66904	0.2
280.87842	0.2
289.18130	0.2
307.19312	0.3
315.63867	0.2
392.67786	0.1
500.84241	0.1
617.19873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
57.03333	0.7
59.01261	5.2
60.05130	0.3
61.98696	0.7
69.85027	0.7
69.85441	1.3
70.47014	0.3
71.01267	6.2
72.99184	1.2
73.02834	1.8
75.00761	8.6
83.01274	1.3
85.02837	3.2
87.00761	0.6
89.02329	3.1
95.01253	0.5
96.95908	1.4
99.00750	0.8
101.02336	5.3
107.04940	0.8
113.02348	2.1
117.01804	0.7
125.02337	0.6
130.79688	0.3
133.02901	1.0
134.03653	2.6
135.02913	39.5
135.04436	99.2
136.03242	0.6
136.04776	3.5
141.64165	0.3
143.03482	0.3
159.03020	0.4
161.02380	3.1
161.04433	1.9
162.02991	0.3
169.37326	0.3
179.03448	100.0
180.03787	4.7
206.83441	0.3
224.22081	0.3
227.13078	0.4
297.06195	11.3
298.06619	0.8
338.72583	0.3
341.08875	1.2
367.13962	1.2
459.11639	0.5
503.19321	4.3
503.33759	4.4
504.19901	0.3
516.76593	0.3
517.31793	0.9
520.33850	0.4
521.33795	0.6
547.18329	10.3
548.18677	1.1
621.23535	1.9
621.40186	14.2
622.40503	1.1
665.20972	24.7
665.37506	1.8
666.21375	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	665.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
57.03333	0.7
59.01261	5.2
60.05130	0.3
61.98696	0.7
69.85027	0.7
69.85441	1.3
70.47014	0.3
71.01267	6.2
72.99184	1.2
73.02834	1.8
75.00761	8.6
83.01274	1.3
85.02837	3.2
87.00761	0.6
89.02329	3.1
95.01253	0.5
96.95908	1.4
99.00750	0.8
101.02336	5.3
107.04940	0.8
113.02348	2.1
117.01804	0.7
125.02337	0.6
130.79688	0.3
133.02901	1.0
134.03653	2.6
135.02913	39.5
135.04436	99.2
136.03242	0.6
136.04776	3.5
141.64165	0.3
143.03482	0.3
159.03020	0.4
161.02380	3.1
161.04433	1.9
162.02991	0.3
169.37326	0.3
179.03448	100.0
180.03787	4.7
206.83441	0.3
224.22081	0.3
227.13078	0.4
297.06195	11.3
298.06619	0.8
338.72583	0.3
341.08875	1.2
367.13962	1.2
459.11639	0.5
503.19321	4.3
503.33759	4.4
504.19901	0.3
516.76593	0.3
517.31793	0.9
520.33850	0.4
521.33795	0.6
547.18329	10.3
548.18677	1.1
621.23535	1.9
621.40186	14.2
622.40503	1.1
665.20972	24.7
665.37506	1.8
666.21375	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	665.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	1.2
59.01264	32.4
69.34416	1.4
69.34820	5.5
71.01268	21.4
72.99181	2.6
83.01283	1.3
85.02845	4.9
87.00774	2.4
88.81680	0.7
89.02335	27.2
95.01257	1.4
101.01705	1.2
101.02341	18.2
113.02357	10.1
119.03413	13.1
123.84687	0.7
125.92989	0.6
129.64034	0.8
131.03383	1.3
135.36330	0.8
143.03442	1.7
161.04471	1.3
168.88194	0.7
179.05516	2.9
200.51535	0.8
323.13528	100.0
324.13925	6.1
383.12189	2.2
410.28967	0.8
443.14011	0.9
485.14331	0.7
506.67603	0.7
629.43835	0.8
665.21252	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	665.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.2
61.60969	0.2
70.01201	0.6
71.04898	0.5
81.32671	0.2
83.04948	0.2
85.80721	0.1
89.03865	0.2
90.61218	0.1
117.03371	23.2
118.03694	1.0
119.04944	5.6
120.05247	0.3
121.02882	0.3
133.02866	0.2
135.04329	0.2
145.02884	100.0
146.03238	3.8
161.02322	0.3
163.03952	2.8
206.94456	0.2
307.84100	0.1
309.20560	0.2
309.96698	0.1
411.29184	0.3
437.27051	0.2
453.30142	0.9
454.31006	0.2
456.81583	0.2
471.31097	1.3
472.31171	0.3
485.32791	0.3
501.32370	0.3
519.33478	0.5
545.30957	0.7
665.37073	50.4
666.37415	8.8
666.48956	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	665.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18062	0.2
59.01255	0.5
61.98718	0.5
67.50004	0.2
69.00517	0.2
69.31377	2.5
71.01260	0.4
71.04912	0.4
83.04885	0.3
89.03870	0.3
96.95901	0.3
101.02334	0.2
117.03371	24.0
118.03716	0.7
119.04939	7.9
120.05279	0.2
121.02846	0.6
125.02383	0.4
133.02872	1.0
135.04468	0.4
145.02884	100.0
146.03217	4.1
161.02383	3.1
163.03943	3.1
198.78766	0.2
246.52206	0.2
263.61258	0.2
282.53796	0.2
286.28125	0.2
288.66342	0.2
453.30231	1.1
471.31299	1.7
472.30606	0.3
501.32141	0.5
519.33203	0.5
545.30878	0.6
591.14490	0.2
603.36969	1.0
604.36993	0.3
665.37067	55.1
666.37384	11.9
666.48853	0.5
673.66699	0.3
675.01038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34714	0.6
57.07309	0.7
57.59298	0.6
59.01264	16.7
60.01606	1.1
61.98714	15.3
65.64858	0.6
69.36167	3.3
69.36588	2.4
71.01271	0.6
71.04890	0.7
72.99214	0.6
82.95288	0.9
96.95915	1.2
101.05922	0.5
117.03360	1.1
121.02859	1.1
132.02135	1.2
133.02878	30.4
134.03606	2.5
135.04446	12.9
137.02354	2.9
139.03876	0.6
145.02901	4.3
146.03247	1.6
161.02386	100.0
162.02748	3.3
178.02689	2.2
179.03450	2.7
188.82745	0.6
207.52118	0.6
255.05913	0.5
276.76495	0.5
439.32291	0.7
455.31055	0.6
485.32751	1.7
487.34460	3.4
529.32135	1.0
603.25903	1.6
665.37073	88.1
666.37518	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.4
61.35926	1.2
62.44495	1.3
63.02280	2.6
65.00208	5.2
65.99730	4.1
68.01271	1.4
71.01271	6.2
71.11459	1.2
73.02832	3.4
83.01263	2.4
85.02842	2.9
87.00755	3.2
93.03365	4.5
95.01293	4.0
98.19711	2.8
99.00802	1.6
101.02355	3.0
107.01295	5.5
109.02860	22.0
110.19297	1.4
111.00761	4.5
115.03950	2.1
115.30012	1.4
118.02908	2.7
121.02871	5.1
123.00773	5.1
123.04456	1.9
124.01574	3.9
125.02326	5.4
130.02905	1.6
131.03441	2.4
133.02870	4.3
134.02414	8.2
135.00803	6.3
135.04446	2.8
136.01584	1.7
137.02370	19.7
139.00314	3.3
139.03937	4.2
141.01945	1.8
143.03398	3.0
145.02930	2.0
146.02380	4.2
146.03606	1.5
147.00780	4.2
147.04396	2.0
148.01598	31.0
149.02396	21.8
150.01941	1.9
150.03142	1.8
151.00296	23.2
151.03940	1.7
152.01048	3.1
153.01869	4.2
158.02431	3.5
159.04503	3.1
161.02359	6.9
162.01915	24.4
163.00334	18.8
163.02641	5.8
163.03961	7.8
164.01100	1.8
164.03459	18.1
165.01866	5.9
166.99771	4.4
167.03448	2.0
169.01398	3.5
171.04533	1.7
175.00323	5.7
175.02612	2.0
175.03871	2.9
176.01080	5.8
176.03499	3.9
177.01894	73.4
178.02266	1.9
178.99815	12.9
179.03444	2.6
181.01389	2.5
186.01912	17.2
186.03381	2.2
187.03969	3.0
188.03505	1.7
189.01895	4.1
190.01370	15.8
191.01964	11.8
191.03757	9.9
192.00652	1.9
193.01440	3.4
197.02415	2.6
199.03954	3.9
201.05615	1.8
202.01399	9.2
202.99844	17.4
203.01991	4.2
203.03645	2.4
204.02995	80.2
205.01469	3.4
205.03392	3.6
205.05229	1.6
207.02943	1.7
208.02493	2.2
212.03389	2.0
214.01309	7.3
215.03488	4.5
217.05122	2.5
218.00963	2.4
219.25681	1.7
226.02753	1.8
227.03555	8.6
228.04216	1.7
229.14215	2.3
230.00923	23.9
231.01500	5.0
233.04659	2.6
239.03467	2.1
241.05092	5.4
242.02213	5.1
242.04535	2.0
243.02992	13.1
245.04596	3.1
247.01288	3.5
254.04726	1.6
255.03075	9.4
256.03503	1.6
257.04413	2.2
258.04150	2.5
259.02466	3.8
266.04593	2.4
267.02975	3.6
269.04572	4.9
270.01736	3.5
271.02509	32.2
271.05414	1.6
272.03247	9.7
273.04019	5.7
278.04517	1.7
282.04279	1.7
283.02475	3.2
284.03247	5.3
285.04102	10.7
287.01978	3.5
288.02585	4.6
289.03479	2.4
294.04169	15.5
295.02490	5.4
296.05692	4.1
299.02036	36.9
300.02679	15.9
300.05566	2.2
301.03662	8.3
310.03726	9.2
311.04489	3.4
312.02750	5.4
313.03531	24.2
314.04160	4.1
316.02155	16.2
317.03030	13.8
321.02695	2.6
322.03653	51.3
323.04059	5.6
324.04977	4.1
338.03427	3.5
339.03918	38.6
340.01379	2.9
340.04657	76.4
341.04837	6.0
357.04947	10.5
358.05685	8.7
457.12939	1.6
463.08627	3.4
475.14566	6.2
489.12708	5.9
501.12561	22.6
502.12982	2.8
503.13748	3.0
530.15234	66.3
531.15686	8.6
556.13177	58.1
557.13379	7.2
581.15399	6.0
599.16156	2.8
608.13849	3.2
621.14630	2.2
625.14539	7.7
626.14294	4.2
648.15814	91.0
649.16077	13.2
666.16913	100.0
667.16858	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	666.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38832	0.2
58.95184	0.2
59.01265	10.1
60.01597	1.5
61.01684	1.3
61.98717	100.0
65.96088	0.2
71.01263	0.5
71.57739	0.3
71.58089	0.2
89.02330	0.3
101.02336	0.4
107.20903	0.2
121.02896	0.3
178.99841	0.3
223.13435	0.6
224.13774	0.5
277.21939	0.8
311.41125	0.2
319.04401	0.2
336.60980	0.3
487.34915	0.2
561.06622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.8
59.01263	3.7
64.74035	0.5
65.16915	0.5
71.01263	3.7
71.55826	0.6
72.99234	1.8
73.02821	4.2
75.00758	3.6
77.03893	0.8
78.05534	0.5
78.12115	0.5
85.02876	1.6
87.00776	7.6
88.12012	0.8
89.02345	3.6
89.03915	0.8
91.01931	0.6
93.03357	0.6
95.01316	0.6
95.04958	1.8
96.95925	1.3
99.00834	2.0
101.02389	2.1
102.72407	0.6
105.03372	7.3
109.02883	1.2
111.00792	0.8
113.02390	1.1
117.01854	8.1
119.03448	1.6
119.04963	1.1
121.02873	3.9
123.04468	1.5
125.02413	0.9
132.02077	3.5
133.02879	58.7
134.03693	14.5
135.02965	9.0
135.04480	12.2
137.02361	11.8
139.03902	3.9
146.03720	0.6
147.04395	0.6
149.02373	3.7
149.04962	0.5
149.06068	1.4
150.03166	1.9
151.00267	0.9
151.04010	1.4
159.02979	1.9
159.04497	2.2
160.01588	4.9
161.02397	6.0
161.04707	0.6
161.06073	2.2
163.03970	2.8
165.01833	0.8
175.03986	0.9
176.04700	2.6
177.01891	37.4
177.05374	3.0
178.02669	28.0
179.03442	10.8
179.05615	1.0
191.03397	0.6
191.07140	2.2
193.05035	25.6
194.05336	1.3
195.02963	0.8
203.03528	1.6
206.53873	0.5
207.06688	1.9
245.08363	0.5
251.05574	4.1
252.06400	0.9
278.06006	0.7
295.04556	6.4
311.07990	0.7
339.05151	1.2
352.08640	0.6
369.09863	100.0
370.10245	8.7
387.14523	0.8
487.12610	7.0
488.12817	1.0
529.74786	0.7
531.15234	2.0
549.16193	4.3
667.18768	21.4
668.18463	4.0
670.61957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42680	0.5
58.00463	0.9
59.01263	15.4
61.98711	3.5
62.78167	0.5
69.95267	2.6
71.01266	17.5
72.99197	1.5
81.06956	0.5
83.01264	1.1
83.37497	0.4
85.02855	1.3
87.00762	1.1
89.02334	26.0
96.46655	0.4
98.20664	0.4
101.02346	8.6
102.02636	0.8
111.44178	0.6
113.02359	5.1
119.03396	4.2
131.03368	1.5
143.03427	2.6
149.04453	1.0
161.04515	4.1
179.05568	15.1
180.05887	0.8
452.56912	0.5
456.50378	0.6
487.34384	100.0
488.34717	17.7
569.34656	2.2
570.34674	0.6
679.40100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.1
57.03338	0.6
58.00463	0.8
59.01262	21.5
66.43004	0.5
69.03333	1.2
71.01266	18.7
72.99202	1.3
73.02827	3.4
75.00765	0.9
81.03323	1.0
83.01279	2.7
83.04911	1.0
85.02842	4.2
85.72002	0.6
87.00759	3.8
89.02332	16.6
93.03350	0.8
95.01290	1.7
95.04918	0.6
96.95924	0.9
97.02850	3.4
99.00774	1.5
101.02341	15.7
111.04444	0.8
113.02339	7.2
119.03445	4.9
119.04938	12.3
120.05315	0.8
121.02843	0.7
125.02357	5.2
131.03409	0.8
133.01334	0.6
133.04927	0.7
135.02927	1.6
135.04440	1.9
137.02362	1.2
141.01825	0.5
143.03459	2.4
151.03886	0.6
161.04478	3.2
162.08926	0.5
163.03932	5.8
167.14438	1.1
176.07185	0.5
179.03448	1.2
179.05533	3.7
181.04990	0.5
181.12263	0.9
183.10233	1.0
183.13849	8.0
193.12315	1.9
209.11794	2.7
211.13374	100.0
212.13722	6.0
221.06598	1.3
225.11298	1.2
225.26132	0.5
227.13159	0.7
229.55034	0.8
235.08243	5.5
253.09419	1.0
287.07736	1.2
299.02002	0.9
301.03711	1.0
305.08810	2.7
397.13571	61.8
398.13937	5.0
415.09021	1.2
415.14642	24.3
416.15125	1.4
445.24741	0.7
523.20233	1.2
531.21881	0.6
551.21661	3.8
609.27820	10.8
610.28241	2.2
669.24365	2.3
669.35236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
58.00476	0.2
58.96950	0.1
59.01264	3.6
61.98703	0.2
64.74667	0.1
69.03333	0.9
71.01262	2.7
71.04905	0.4
71.45065	0.1
71.45431	0.2
72.99178	0.3
73.02837	0.7
75.00769	0.2
77.17957	0.1
79.18678	0.1
80.02562	1.0
81.03345	1.1
83.01269	0.5
83.04911	4.1
84.02065	0.7
85.02836	0.9
85.06491	0.3
87.00749	0.5
89.02336	1.9
93.03359	0.4
95.01286	0.2
95.04926	0.8
97.02899	0.2
97.06476	0.3
101.02335	2.5
103.13586	0.1
109.06469	0.6
111.08030	0.3
113.02354	1.3
119.03408	0.4
121.06519	0.2
125.02416	0.3
125.05996	0.5
125.09634	0.3
135.08054	0.6
145.04991	0.3
147.11732	0.1
149.09705	0.2
161.04521	1.1
161.13287	0.2
163.11237	3.2
165.12794	2.1
167.10718	1.6
171.10231	1.8
177.12794	0.2
179.05544	0.4
179.10713	0.5
179.14330	1.5
181.12289	0.5
191.10759	1.0
195.13889	4.6
196.14261	0.2
205.12318	4.2
206.12697	0.3
209.11806	100.0
210.12149	5.3
210.14238	0.2
211.13292	0.2
223.13387	47.5
224.13716	2.9
227.12874	14.2
228.13190	0.7
235.08229	2.3
247.13364	0.2
253.09308	7.6
254.09804	0.3
260.57507	0.1
261.14957	0.7
306.95135	0.2
365.50815	0.2
397.24139	0.2
415.24860	0.4
416.25461	0.2
433.25763	0.2
438.33710	0.2
441.21310	0.7
445.20908	1.9
446.20786	0.2
459.22519	2.5
460.22647	0.3
463.21768	0.2
506.44669	0.2
607.30939	0.1
633.32739	0.8
651.34277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50988	0.1
55.01755	0.2
57.03320	0.6
58.00496	0.2
59.01262	5.3
61.98706	0.3
63.43388	0.2
69.03330	2.0
70.14338	0.9
71.01266	4.4
71.04897	0.8
72.01605	0.2
72.99189	0.4
73.02827	0.8
80.02551	1.0
81.03348	1.0
83.01273	0.7
83.04914	4.6
84.02052	0.6
85.02401	0.2
85.02835	1.2
85.06472	0.5
87.00764	0.8
89.02332	2.9
91.49953	0.2
93.03351	0.3
95.01285	0.3
95.04935	1.1
97.02847	0.3
97.06452	0.5
99.00787	0.3
101.02342	3.0
109.06504	1.0
111.00797	0.2
111.08067	0.2
113.02344	1.9
119.03383	0.6
121.02839	0.4
125.02375	0.3
125.05988	0.5
125.09627	0.4
133.04982	0.3
135.08070	0.6
141.09143	0.2
143.03435	0.3
145.05031	0.4
149.04526	0.2
149.09634	0.6
151.45538	0.2
152.99564	0.2
153.09093	0.3
161.04492	1.4
161.13231	0.3
163.11235	3.3
165.01920	0.3
165.12762	1.9
167.10721	3.9
168.11198	0.2
171.10226	2.3
177.12857	0.6
179.05565	0.6
179.10791	1.5
179.14389	3.9
181.12321	0.4
187.11275	0.3
191.10760	0.9
195.13889	10.2
196.14232	0.6
205.12325	9.8
205.14284	0.3
206.12683	0.7
209.11813	90.0
210.12157	5.0
219.13972	0.2
223.13393	100.0
224.11559	0.4
224.13718	6.4
227.12885	15.9
227.50084	0.2
228.13179	1.0
235.08226	3.5
253.09314	11.2
254.09660	0.4
261.14987	2.6
397.24023	0.2
410.94812	0.2
415.24835	0.5
433.25873	0.3
441.21310	0.7
445.20755	1.0
459.22446	10.0
460.22815	1.6
463.21854	0.2
487.34409	0.5
489.32101	0.5
633.32745	1.0
634.33716	0.3
651.34015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.8
59.01265	5.4
60.44820	0.8
61.98714	3.2
69.92945	3.2
69.93356	1.2
71.01260	5.7
73.02826	1.5
79.17902	0.7
83.01282	1.0
83.04912	1.4
85.02840	2.6
87.00762	1.3
88.98717	1.0
89.02327	3.8
96.95920	8.2
97.02882	1.0
101.02325	1.8
109.02869	1.4
113.02364	1.3
119.05013	0.7
123.04417	2.9
125.02380	1.9
135.02916	2.2
135.08000	0.8
137.02400	2.3
149.06006	6.3
150.06805	42.1
151.00330	1.4
151.03941	0.8
151.07289	2.6
161.04454	1.2
161.09705	1.2
162.06812	1.0
163.03900	1.1
163.07585	10.2
164.08353	6.9
165.01906	2.3
167.03410	1.4
171.10225	1.7
176.08382	1.6
178.10001	3.1
179.03537	1.0
179.05521	1.1
179.10724	15.7
180.11186	1.0
193.08691	0.8
197.36703	0.7
209.11749	1.7
211.13461	0.9
232.03752	0.7
281.21246	1.1
301.03500	1.3
325.24417	0.8
327.21829	9.4
428.29584	1.4
445.33456	1.1
446.30527	8.0
447.30917	1.9
460.32031	0.9
461.32877	8.5
462.33209	1.3
488.31519	2.3
489.32227	3.9
506.32745	3.9
507.25125	1.6
507.33331	31.5
508.33536	5.0
628.88898	0.9
633.62738	0.8
669.29865	4.4
669.38782	100.0
670.30023	0.8
670.39191	20.2
671.95831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3871
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
54.37044	0.6
56.72408	0.5
57.03318	1.1
59.01261	6.0
61.98695	2.4
70.05099	2.8
71.01263	5.0
73.02835	1.2
78.95763	0.7
83.01276	1.4
85.02830	2.9
87.00764	1.1
89.02326	2.6
93.03349	0.9
96.95908	3.8
97.02846	0.8
99.04395	0.7
101.02329	3.1
105.31631	0.6
106.29498	0.7
108.02080	0.7
109.02859	1.0
113.02356	1.6
113.05933	0.7
119.03399	1.2
121.02789	0.9
123.04407	1.9
125.02378	1.4
135.02907	1.8
135.04482	1.3
135.08064	0.9
136.05196	1.0
137.02333	2.2
149.06029	5.3
150.06793	45.6
151.00320	1.0
151.03914	1.3
151.07214	1.5
152.01016	1.1
157.08684	0.6
161.02365	1.1
161.09650	1.3
162.06802	0.9
163.03931	0.8
163.07581	9.7
164.08366	8.0
165.01877	0.9
167.03407	2.5
169.01340	0.7
171.10155	1.5
176.08325	1.5
177.09200	1.1
178.09927	2.4
179.03304	1.4
179.10730	17.6
179.55597	0.7
180.11111	1.0
191.07104	0.9
193.08566	0.8
209.11784	1.4
225.05806	1.6
281.21191	0.8
325.23770	0.9
327.21805	8.8
328.22195	0.9
446.30573	6.5
447.30988	1.2
460.31973	1.1
461.32715	9.7
462.32971	1.6
474.29803	0.8
475.13055	1.3
488.31439	1.9
489.32056	4.3
506.32477	5.7
507.25156	1.0
507.33289	30.9
508.33640	5.8
609.32593	4.0
669.29816	4.2
669.38739	100.0
670.39148	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	669.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.9
57.03336	2.5
58.00472	1.3
59.01261	20.1
61.98698	0.6
69.03352	0.6
71.01266	28.9
71.15556	0.4
71.55962	0.5
72.09289	0.4
72.99187	2.0
73.02835	8.2
75.00754	1.2
83.01269	5.4
85.02344	0.9
85.02840	13.5
86.03197	0.4
87.00768	1.9
88.98712	0.6
89.02328	8.0
93.03370	0.5
95.01295	2.6
96.95921	1.2
97.02859	0.9
99.00787	3.3
101.02342	22.7
102.02677	0.5
106.59371	0.4
108.02084	0.4
109.02854	0.7
110.79798	0.4
111.00787	3.8
113.02354	10.4
119.03497	2.3
119.04934	5.6
121.02895	0.6
123.04464	0.5
125.02345	1.5
129.01859	1.2
131.03473	0.5
134.03687	0.4
135.02913	0.9
135.04442	1.5
137.02342	1.1
141.01878	0.7
149.02377	0.5
150.03194	0.5
151.03992	0.5
159.02933	1.7
161.02377	0.8
161.04489	2.7
163.03925	3.3
172.18367	0.4
179.03464	0.9
179.05672	0.4
325.10764	0.7
331.26483	0.5
339.12518	0.8
340.13278	0.5
345.30203	3.5
346.30484	0.5
383.15045	0.4
489.19232	1.3
495.82089	0.4
496.02286	0.4
501.19669	0.9
507.28714	0.4
507.35410	10.9
508.35889	0.7
519.20483	3.1
520.19995	0.5
609.28046	1.5
669.40784	100.0
670.29871	1.0
670.41162	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01265	2.9
61.98707	1.2
69.03343	0.9
71.01263	4.4
72.99216	0.6
73.02835	1.1
81.03357	1.4
83.01284	0.9
85.02843	5.0
87.04401	0.5
89.02355	1.8
93.03371	1.2
95.01260	2.9
96.95945	2.0
97.02863	0.6
99.00749	0.9
101.02362	2.0
107.04964	0.5
108.02077	52.5
109.02866	36.2
109.03954	0.5
110.03185	0.7
111.00751	0.4
113.02374	1.5
115.08465	0.4
116.84933	0.4
119.03448	0.5
119.04925	0.7
119.38593	0.3
121.02866	1.5
123.00764	2.0
123.04422	0.6
125.02371	1.6
125.09723	0.8
134.03603	0.5
135.00812	0.6
135.02957	0.4
135.04425	1.4
137.02351	0.9
137.09645	0.9
139.03928	0.5
139.45403	0.4
149.02393	0.4
151.00316	0.9
151.03925	1.4
152.01086	61.8
153.01883	19.0
153.12791	0.4
154.02197	0.9
155.10744	0.7
161.02368	0.4
161.04465	0.5
163.03940	1.6
163.11281	0.5
165.01895	1.4
171.10225	3.4
177.01891	0.5
178.99826	1.1
179.03415	0.7
179.05615	0.5
195.03065	0.5
207.10234	1.1
209.11810	4.9
225.11327	3.3
227.12842	0.6
253.09447	0.8
259.06122	0.4
271.02588	0.5
355.24930	1.1
364.02219	0.6
373.26010	23.2
374.26425	2.2
467.13599	0.4
509.35239	0.6
639.20563	0.8
670.40692	0.9
671.32898	100.0
672.33234	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	2.1
69.68551	7.6
70.48563	1.1
91.23893	1.0
107.01276	2.5
108.02065	1.1
109.02838	1.9
111.00862	1.1
121.02879	2.4
125.02394	1.7
133.02847	1.1
151.00311	9.9
163.00357	2.6
178.99821	4.0
196.84212	1.2
215.43571	1.1
227.03453	2.5
243.03044	7.2
245.04549	1.7
253.29919	1.1
254.02278	1.5
255.03027	18.2
256.03442	2.3
271.02533	44.3
272.03043	4.5
273.04086	1.3
283.02518	1.6
299.02182	2.0
300.02823	100.0
301.03552	36.3
302.03818	2.2
447.09302	2.2
609.14752	95.1
610.15161	14.9
673.15393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08836	0.1
51.78998	0.1
51.84192	0.1
52.63370	0.1
52.88197	0.1
53.27189	0.1
55.01781	0.1
57.03343	0.2
57.69272	0.1
58.00506	0.1
59.01257	1.9
59.01534	0.1
67.68958	0.1
71.01263	1.3
71.04937	0.1
71.45523	0.1
71.45855	0.1
72.99200	0.1
73.02841	0.3
80.02570	0.9
81.03349	1.0
83.01264	0.5
83.04911	3.7
84.02064	0.9
85.02861	0.4
87.00784	0.2
89.02332	1.2
93.03363	0.2
95.01301	0.2
95.04932	0.6
97.02859	0.1
97.06507	0.2
101.02338	1.3
109.06495	0.2
111.08150	0.1
113.02338	0.7
119.03436	0.3
124.03522	0.1
125.02361	0.2
125.05968	0.4
125.09653	0.3
131.31963	0.1
135.08099	0.4
145.05023	0.2
147.11732	0.2
149.09595	0.1
149.68349	0.1
151.00339	0.2
153.12859	0.1
161.04527	0.6
163.11221	3.1
164.11534	0.2
165.12794	2.0
171.10191	1.5
172.10692	0.1
173.09575	0.1
177.52753	0.1
178.99800	0.2
179.05556	0.2
181.12311	0.5
181.21693	0.1
191.10738	0.8
194.47047	0.1
199.03896	0.1
199.13298	0.1
203.03427	0.2
207.10103	0.1
209.11807	100.0
210.12141	6.6
214.02763	0.1
215.03418	0.2
221.11819	0.3
227.12877	15.0
228.13174	1.0
231.02983	0.2
235.08232	1.8
243.02995	0.4
247.13451	1.0
253.09309	5.7
254.09671	0.3
259.02414	0.4
265.14490	0.3
271.02414	0.8
287.01947	0.8
315.01508	2.3
316.02213	1.5
317.02893	0.2
357.20111	0.1
375.21854	0.2
401.23334	0.3
419.24332	0.4
437.24847	0.1
445.20953	1.1
446.21420	0.1
461.07196	0.7
462.08099	3.2
463.08722	0.4
463.21848	0.2
483.22348	0.1
611.30469	0.2
619.30823	0.1
629.31775	0.2
637.32343	0.7
638.32550	0.1
655.33240	0.3
673.21033	0.4
673.34070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.2
58.63946	0.1
59.01261	2.0
65.00220	0.1
69.03310	0.1
69.42671	0.3
69.43095	0.7
71.01265	1.7
71.04894	0.2
73.02826	0.4
80.02561	1.0
81.03347	1.1
83.01286	0.5
83.04912	4.6
84.02061	0.9
85.02832	0.5
87.00767	0.5
89.02333	1.4
93.03371	0.2
95.01266	0.2
95.04922	0.6
97.02834	0.2
97.06441	0.2
99.00766	0.1
101.02335	1.8
107.01263	0.2
109.06498	0.3
111.08076	0.2
113.02362	0.8
119.03402	0.4
124.01567	0.3
125.02374	0.6
125.05997	0.4
125.09631	0.3
135.08093	0.5
143.03481	0.1
145.04999	0.1
147.11768	0.2
149.09747	0.2
151.00313	0.7
161.04510	0.7
163.11234	3.4
164.11540	0.2
165.12794	2.5
166.13202	0.1
168.00594	0.4
169.01302	0.2
171.04471	0.1
171.10217	1.9
175.04022	0.1
178.99844	0.5
179.05518	0.3
181.12297	0.4
187.03902	0.1
191.10733	1.0
199.03998	0.1
199.13402	0.2
203.03531	0.7
209.11810	100.0
210.12146	5.7
211.13196	0.2
214.02669	0.2
215.03465	0.5
221.11848	0.2
227.12883	12.9
228.13242	0.8
231.03027	0.4
235.08221	1.6
243.02997	0.7
247.13480	1.1
249.15070	0.1
253.09328	5.3
254.09633	0.2
259.02512	1.4
265.14468	0.3
270.01712	0.2
271.02539	1.8
272.02786	0.2
287.02036	2.6
288.02380	0.3
299.02170	0.1
301.03494	0.2
315.01529	7.4
316.02252	4.3
317.02823	0.7
360.19843	0.1
376.14209	0.1
401.23303	0.3
419.24091	0.2
424.02100	0.1
445.20911	0.8
461.07309	1.6
462.08124	7.4
463.08624	0.9
527.15356	0.2
584.71277	0.1
637.32355	0.7
638.32922	0.1
655.33826	0.4
673.21582	1.1
673.34491	0.7
674.22351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33382	0.6
52.58503	0.6
57.03341	1.6
58.00492	0.7
58.18102	0.8
59.01265	4.4
59.07571	0.6
61.98697	0.7
69.03325	1.3
70.49577	0.6
71.01269	29.7
71.01669	1.6
71.04912	1.3
71.19102	0.7
71.38085	1.3
73.02859	1.8
81.03340	1.4
83.01254	1.1
83.04913	3.9
84.02049	1.7
85.02829	1.8
85.65453	0.7
89.02319	1.5
93.03326	1.2
95.01289	2.4
95.04909	6.3
97.06464	1.8
99.00778	1.1
99.04408	2.0
99.08051	1.4
101.02350	2.1
105.03345	0.7
109.02874	1.7
109.06506	1.3
111.08041	1.0
113.02361	1.4
113.05996	0.9
115.07552	0.8
119.04983	0.8
121.02875	0.8
123.04447	9.8
123.08086	0.9
125.02370	1.8
125.09631	3.9
125.99262	1.7
127.07578	11.1
135.02899	1.0
135.08096	2.0
137.02301	1.1
139.07585	1.9
141.09145	2.4
151.00296	0.8
151.07593	1.9
151.11198	1.1
153.09143	7.4
153.12743	0.8
155.10693	2.0
163.11224	4.4
165.01707	2.2
165.12813	3.6
169.12273	1.7
171.10202	9.1
178.09937	2.2
178.99866	1.0
179.10614	1.4
181.12297	1.9
182.05367	0.8
185.11798	6.0
188.64294	0.7
191.10750	1.3
191.14365	1.5
193.08478	1.4
193.12233	1.1
197.11804	13.9
199.13379	5.1
203.06828	0.7
207.06592	1.1
207.10039	20.8
209.11821	58.3
210.12134	4.3
211.13327	4.7
219.10023	7.7
221.07976	10.1
221.11606	1.7
225.11382	1.9
227.12900	13.4
231.10051	2.8
232.10484	1.0
233.11624	1.6
235.09554	1.2
238.12178	2.1
239.16457	0.9
243.02899	0.7
245.19135	2.3
247.13278	0.8
250.11952	0.9
251.11575	0.7
253.09367	2.6
256.13248	1.0
259.09534	1.0
260.10333	39.8
261.10663	2.6
264.09772	3.0
271.02411	1.3
277.10669	7.2
278.11411	100.0
279.11755	6.1
279.19629	1.5
289.07446	0.9
289.18152	4.7
299.02057	2.4
300.02673	1.3
301.17780	2.2
307.19217	42.6
308.19556	4.2
310.10391	0.9
314.97806	0.8
315.01492	1.8
319.18802	1.3
325.20264	51.5
326.20526	3.7
329.17407	85.9
330.17728	7.2
347.18448	57.8
348.18829	4.4
377.86581	0.7
419.24832	0.8
462.08194	3.0
463.21725	2.1
469.29709	1.5
579.22443	0.9
585.90784	0.7
604.31360	0.9
637.32532	1.5
641.22119	1.4
655.33246	2.1
673.21875	0.9
673.41345	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	675.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46133	0.4
51.82757	0.4
57.03332	2.1
69.03336	0.9
71.01272	0.5
71.56550	0.7
71.56907	0.5
75.00764	0.5
81.03351	2.5
83.01257	2.4
85.02843	1.0
93.03371	2.0
95.01257	0.9
95.04918	2.3
96.95894	2.9
97.02852	4.7
100.27773	0.4
107.01289	0.4
108.02062	1.2
109.02860	22.1
110.03211	0.6
111.00739	0.4
111.04440	0.5
113.02380	0.6
119.04890	0.9
121.02870	4.5
122.03642	0.9
123.04437	12.3
125.02365	14.6
134.03642	0.6
135.02928	1.0
135.04446	3.9
137.02371	10.2
138.03137	1.1
139.03915	2.8
145.02910	0.9
146.03696	1.2
147.04411	0.5
148.98317	0.4
149.02382	18.0
149.03577	0.9
150.03189	2.0
151.03954	7.8
152.01079	3.7
152.87743	0.4
159.04457	2.4
160.05232	1.1
161.02388	0.9
161.06052	4.3
162.03157	1.6
163.03958	5.0
164.01112	3.1
164.04738	15.3
165.01888	4.3
165.05148	0.7
166.02679	0.5
167.03426	2.0
169.04999	1.6
173.04549	0.4
173.06038	0.6
175.03984	2.3
175.05269	0.4
175.07585	1.8
177.05466	0.6
179.03470	5.8
179.07066	6.6
180.04031	0.4
185.06050	0.8
187.03964	4.3
188.04791	3.7
193.01402	8.0
199.07578	0.9
201.05595	1.0
202.06310	2.0
203.07123	12.6
204.07576	1.0
205.05026	8.3
206.05287	0.4
208.03757	23.7
209.04150	1.1
212.04759	0.9
217.08742	0.8
221.08200	3.0
223.06116	64.8
224.06473	3.9
227.07121	2.0
230.05872	0.6
245.08220	15.1
245.10748	0.8
246.08527	0.8
247.06114	0.6
271.06107	0.6
289.07239	100.0
290.07571	7.0
301.43823	0.4
327.08688	1.1
327.52020	0.4
385.11462	14.9
386.11661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53209	0.1
55.01769	1.5
57.03339	1.2
58.00480	2.3
59.01263	44.9
60.01606	0.5
60.07278	0.1
60.99163	0.1
61.98706	0.1
63.44346	0.1
67.01763	0.3
68.99700	0.5
69.03341	3.0
71.01267	46.8
72.01603	0.7
72.99197	3.4
73.02833	8.3
74.03153	0.1
75.00761	1.3
78.95792	0.4
79.01760	0.1
81.03347	1.7
83.01272	5.1
83.04918	0.6
84.01614	0.1
84.02058	0.2
85.02839	9.0
85.99999	0.4
86.03172	0.2
87.00768	11.2
87.04395	0.5
88.01106	0.1
89.02334	35.7
90.02654	0.5
91.03897	0.8
93.03356	0.6
95.01284	3.4
95.04916	0.3
96.01595	0.1
97.02847	7.4
97.06474	0.2
98.03168	0.2
98.20542	0.3
99.00779	2.7
99.04407	0.7
101.02342	36.2
102.02682	0.5
103.00281	0.4
103.03921	0.4
105.79113	0.1
107.01307	0.1
108.02089	0.2
109.02850	0.8
111.00805	1.0
111.04425	1.4
111.05151	0.1
112.01548	0.3
112.92924	0.1
113.02352	18.0
114.02650	0.5
115.03912	0.9
117.01821	0.1
119.03416	9.8
120.03720	0.1
121.02857	0.7
123.00772	0.5
123.04439	0.4
124.01569	0.5
125.02364	14.2
126.02716	0.4
127.03915	0.5
127.07565	0.3
129.01865	0.3
131.03429	1.7
133.01404	0.1
133.04977	1.5
135.04454	0.3
137.02370	0.8
139.00331	0.2
139.03941	1.3
141.01852	0.8
141.05519	0.1
142.02594	0.1
143.03427	6.4
144.03789	0.2
145.05025	0.2
149.02376	0.3
149.04503	1.2
151.03932	0.2
152.99474	0.1
155.03412	0.2
157.04984	0.3
159.02855	0.2
161.04498	7.8
162.04773	0.2
163.03975	0.2
167.03436	1.1
167.54799	0.1
169.04964	0.6
171.02936	0.4
173.04431	0.1
179.05573	7.2
180.05910	0.2
181.04984	0.2
185.04480	0.7
191.03564	0.1
199.06192	0.6
203.05537	0.5
205.19655	0.1
217.07079	1.3
219.05051	0.5
221.06644	3.0
227.05629	0.2
229.24773	0.1
233.06764	0.2
233.22821	0.5
235.08231	15.6
236.08560	0.7
245.06667	1.0
253.09300	3.6
259.08325	0.3
259.20743	0.5
263.07715	1.7
275.20236	0.5
276.20544	0.1
277.09674	1.2
277.21759	100.0
278.22101	9.3
278.25296	0.2
287.07788	3.8
288.08170	0.2
291.23257	0.5
305.08826	4.4
306.09216	0.2
319.22821	0.2
323.09857	2.0
361.11368	0.4
379.12515	1.0
390.64838	0.1
397.13556	87.8
398.13870	6.8
398.19260	0.2
415.14633	35.5
416.14938	2.7
558.30359	0.1
675.35773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.4
56.15429	0.1
57.03337	1.2
58.00485	2.1
59.01263	47.2
60.01598	0.4
61.98714	0.5
67.01782	0.2
68.99699	0.6
69.03342	2.7
71.01267	41.8
72.01611	0.5
72.99197	3.0
73.02835	7.2
75.00755	1.0
78.95795	0.2
81.03334	1.9
83.01275	4.8
83.04922	0.6
85.02841	8.9
85.99995	0.4
87.00770	9.8
87.04411	0.5
89.02335	33.9
90.02681	0.5
91.03903	0.7
93.03366	0.5
95.01280	2.7
95.04938	0.2
95.89965	0.2
97.02849	7.3
98.20562	0.3
99.00777	2.6
99.04413	0.4
101.02343	33.7
102.02688	0.5
103.00248	0.4
103.03906	0.4
109.02846	0.9
111.00797	0.7
111.04436	1.3
112.01575	0.3
113.02354	16.6
114.02659	0.3
115.03899	0.9
119.03417	10.5
120.03765	0.3
121.02891	0.8
123.00802	0.4
123.04451	0.5
124.01580	0.7
125.02364	14.1
126.02699	0.4
127.03906	0.6
127.07590	0.4
129.01820	0.2
131.03432	1.7
133.05011	1.1
135.04494	0.2
137.02373	0.4
139.03926	1.0
141.01869	0.6
141.05539	0.2
143.03421	6.8
149.02434	0.2
149.04514	1.2
151.03960	0.3
157.04974	0.2
159.02924	0.2
161.04500	7.4
162.04816	0.2
167.03461	1.0
169.04933	0.4
171.02959	0.3
179.05576	6.3
180.05881	0.3
181.04895	0.2
185.04578	0.7
199.06100	0.6
203.05516	0.3
205.19516	0.2
217.07152	0.9
219.05127	0.5
221.06627	3.0
233.22682	0.3
235.08237	15.8
236.08524	0.6
245.06688	0.7
253.09317	4.0
254.09621	0.2
259.20770	0.5
263.07751	1.6
275.20251	0.4
277.09689	1.2
277.21768	100.0
278.22113	8.8
287.07773	3.6
288.08148	0.3
291.23276	0.3
304.08179	0.2
305.08829	3.7
306.09210	0.2
319.22910	0.3
323.09851	2.1
361.11475	0.6
379.12549	1.1
397.13571	91.7
398.08554	0.2
398.13895	6.9
415.14645	38.2
416.14987	2.4
487.34485	0.2
675.35632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64294	0.7
57.16168	0.7
59.01252	3.4
60.12800	0.8
61.98711	6.2
64.65388	0.7
70.18240	3.4
71.01279	1.1
78.95813	1.3
79.18886	0.9
85.02838	1.1
171.10217	1.0
180.02432	0.9
191.47104	0.9
204.58215	0.8
223.13368	1.0
293.21313	10.0
327.21948	1.5
386.38696	0.8
434.26929	0.9
438.13104	1.3
452.15186	1.1
468.45755	1.0
481.08307	1.6
481.15100	13.0
482.15643	2.6
495.16760	3.5
496.16895	1.4
539.15936	2.3
540.16473	5.9
555.18970	17.4
556.19244	3.2
572.15491	5.4
573.16315	1.5
586.17450	1.4
609.20422	1.0
627.21051	2.0
641.22607	18.7
642.23334	6.0
651.74835	1.0
677.20343	100.0
678.20270	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	677.428
Annotation	Cumingianoside F
Peak:m/z	Relative Intensity
59.01263	100.0
60.01598	0.9
60.24286	0.2
61.98713	0.8
69.03323	0.6
71.01267	1.6
71.56517	0.4
73.02831	1.6
78.95810	1.6
80.96405	0.8
83.01283	0.4
85.02847	0.5
89.02332	0.3
93.03371	0.7
94.98007	0.6
96.95913	1.2
101.02338	0.6
133.02925	0.3
135.02942	0.4
137.02382	0.7
141.75665	0.2
145.05020	1.1
148.06648	0.2
152.28732	0.3
152.99544	0.6
171.00595	0.5
182.68098	0.3
195.13857	0.3
209.11804	0.3
223.13376	3.7
225.00615	0.3
236.65866	0.3
241.82542	0.3
291.19690	0.4
303.36829	0.2
471.35077	0.9
472.35034	0.4
473.35379	0.5
503.34015	0.7
617.40924	3.0
618.41498	0.5
661.39905	0.3
662.41180	0.3
677.30127	0.8
677.43048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01599	0.7
61.98719	2.1
67.36080	0.2
69.03346	0.6
69.25446	2.1
71.01272	2.2
73.02836	2.0
76.87286	0.2
78.95809	0.4
84.53634	0.2
85.02882	1.0
89.02357	0.4
96.95924	0.7
101.02377	0.9
109.02841	0.3
135.02946	0.5
135.04391	0.2
137.02414	0.2
145.04991	1.3
171.10248	0.2
173.01051	0.2
179.03477	0.3
185.37163	0.2
199.12561	0.3
209.11797	0.4
215.16576	0.2
441.33890	0.3
471.35031	1.5
503.33984	1.1
512.10706	0.2
572.22620	0.3
617.40826	2.6
618.41290	0.6
661.39697	0.3
677.30975	0.4
677.41937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4285
Annotation	Cumingianoside F
Peak:m/z	Relative Intensity
52.59179	0.3
54.20123	0.3
59.01264	100.0
60.01607	0.5
61.98729	1.8
69.30389	3.2
71.01272	1.6
72.32571	0.3
73.02845	1.2
77.65089	0.3
78.95798	3.0
80.96414	0.3
83.40723	0.3
85.02845	1.0
87.64445	0.3
89.02357	0.9
96.95907	2.8
100.93423	0.3
101.02351	1.1
103.03894	0.7
103.20464	0.3
116.92801	0.3
119.03407	0.4
133.47215	0.3
135.02919	0.4
137.02390	0.3
141.01675	1.1
145.05000	0.4
152.99513	1.9
163.06108	1.2
171.00653	0.7
171.10272	0.5
188.37598	0.3
209.11769	0.4
240.99426	0.3
250.80258	0.3
360.94131	0.4
464.29443	0.3
469.20969	0.3
617.40881	2.0
669.42407	0.3
677.27460	0.8
677.43542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82380	0.1
55.30613	0.1
57.03325	0.3
59.01263	46.0
60.01596	0.3
61.98718	1.3
66.80557	0.2
71.01271	0.3
71.56010	0.1
73.02875	0.2
85.02835	1.3
89.58236	0.2
96.95967	0.2
125.02383	0.3
129.71422	0.1
161.02083	0.2
191.01877	0.8
191.05583	0.4
197.11819	2.6
209.02986	0.2
209.11824	1.4
210.12268	0.2
227.12907	0.4
296.99521	0.2
320.15488	0.2
433.20981	0.3
487.34363	100.0
488.34726	13.8
619.39545	0.4
679.31036	0.8
679.41711	0.3
680.31116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63348	0.3
57.70658	0.3
59.19812	0.3
61.98714	100.0
75.15894	0.3
76.07376	0.2
134.11613	0.3
206.11182	0.3
209.11937	0.3
229.71175	0.3
277.21725	0.6
307.19052	0.3
309.20837	2.2
325.20276	0.7
680.38806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.7
58.00469	1.8
59.01266	34.3
61.98710	1.0
62.39388	0.7
65.34875	0.6
65.93815	0.6
69.03291	5.9
69.42378	3.1
69.42802	2.8
71.01274	25.9
71.04893	1.4
72.99181	2.5
73.02838	4.1
73.41373	0.7
75.00751	2.7
78.95808	1.1
79.00473	0.7
81.03342	1.6
83.01276	2.5
83.04968	0.6
85.02847	5.3
85.06480	0.7
87.00750	4.3
88.98676	0.9
89.02338	21.1
92.31335	0.6
93.03366	1.4
95.01271	1.3
96.95907	1.2
97.02852	3.2
99.00771	0.8
101.02346	19.9
102.48287	0.7
107.04945	0.9
111.00766	0.9
113.02350	9.2
117.28494	0.7
119.03436	5.6
119.04926	3.8
121.02876	0.9
123.04404	1.2
125.02374	9.8
130.91048	0.7
131.03421	1.2
135.02907	5.0
135.04427	1.3
137.02364	2.3
143.03413	2.6
143.64479	0.7
149.09618	1.0
161.04430	4.0
163.03978	3.4
167.10712	3.8
177.12775	0.9
179.05591	4.2
179.10703	2.5
179.14400	4.6
187.11464	0.8
195.13895	14.1
196.14182	1.4
205.12332	11.5
206.12733	1.4
211.13451	0.6
218.64993	0.8
221.06668	2.1
223.13399	100.0
224.13708	5.9
235.08199	5.7
253.09395	1.5
263.07813	0.8
287.07788	2.2
289.07086	1.2
305.08890	2.6
397.13596	73.5
398.13864	5.6
415.14648	31.1
416.14886	2.0
501.19470	0.9
519.32465	1.8
588.02325	0.7
621.27802	30.6
622.28076	5.6
647.91266	0.8
681.37561	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01200	7.7
54.11462	8.5
59.01257	11.9
61.98716	100.0
71.06447	7.9
71.56876	19.7
78.95804	10.6
100.70473	8.6
108.59269	8.5
277.21698	10.8
310.84897	8.7
437.01974	9.5
558.31030	11.3
598.86969	9.0
614.57074	9.7
640.28864	10.1
680.81903	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	681.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.0
58.56954	0.6
59.01262	100.0
60.01606	2.3
61.98714	41.2
62.98428	0.7
66.75667	0.6
70.47042	0.7
71.01270	12.8
72.99216	1.8
73.02844	4.4
75.00790	0.9
80.96415	0.9
83.01282	2.9
83.04907	1.2
85.02834	7.1
87.00786	1.2
89.02344	2.3
93.03365	0.8
95.01298	1.2
96.95914	1.4
99.00786	1.5
101.02337	7.3
113.02338	5.4
117.03393	0.6
121.02888	1.3
125.02372	2.6
127.03949	1.1
132.14561	0.8
135.02939	1.3
137.02408	1.7
139.07666	0.9
143.03438	0.8
145.02911	1.3
149.02452	2.0
151.00313	1.4
151.03903	1.0
159.02925	1.2
161.02344	1.0
161.04550	2.5
163.11281	0.9
165.01878	0.8
169.01407	0.8
177.01988	1.1
178.99878	1.9
197.11771	3.7
209.11858	5.0
210.12216	1.1
211.13547	1.5
211.23172	0.8
227.12932	1.6
229.41286	0.8
315.01703	0.8
487.34439	4.7
488.34814	1.1
489.35153	1.2
503.34360	1.3
535.18164	1.2
621.40186	69.1
622.40546	13.8
645.39301	2.7
681.37793	4.5
681.78699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	1.0
59.01261	8.7
67.38444	0.6
70.22618	0.5
71.01263	3.1
71.56852	0.8
72.99213	1.8
73.02824	0.8
75.00765	0.6
81.03356	0.9
83.01274	2.0
85.02869	0.6
89.02325	3.5
93.03352	1.0
99.00762	1.1
101.99459	0.9
102.44957	0.7
117.01849	75.9
117.05473	0.8
118.02201	1.1
118.38661	0.4
119.04938	26.4
120.05254	0.6
121.02879	1.2
123.04424	4.5
125.02385	1.8
134.15851	0.5
135.02910	1.7
135.04468	1.1
136.01518	0.6
137.02351	0.7
145.02907	2.2
151.00287	0.8
151.03874	1.4
159.02905	0.6
160.05206	0.8
161.06041	0.9
163.03947	28.4
164.04247	1.4
167.03438	12.9
168.03833	0.7
177.01888	0.7
179.03548	0.6
179.05537	1.4
189.03986	6.3
191.03453	2.6
202.06384	0.7
207.05083	100.0
208.05449	2.7
209.04565	1.0
235.06140	5.1
269.27380	0.6
291.08829	11.0
292.09207	0.8
329.08871	4.7
335.07733	8.0
353.08838	39.0
354.09338	3.2
389.52597	0.6
574.53943	0.6
683.18073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.6
59.01264	45.2
60.01598	0.6
71.01269	39.5
71.30736	1.1
72.31402	0.5
72.99198	2.3
73.02855	1.5
75.00758	4.8
83.01274	1.1
85.02837	7.2
87.00754	3.1
89.02338	49.6
95.01303	2.0
96.43209	0.6
101.02343	21.1
113.02362	16.3
119.03423	16.6
119.04922	1.7
129.01892	0.8
131.03444	2.4
134.03674	1.0
135.02972	1.0
135.03490	0.7
135.04439	7.3
143.03438	5.2
147.02988	0.7
149.04521	1.2
161.04500	4.3
163.03914	2.9
174.08456	0.6
179.03508	1.6
179.05571	30.2
180.05936	0.7
193.05103	1.8
195.05104	2.6
209.03021	0.6
231.86993	0.6
297.34113	0.6
341.11011	100.0
342.11334	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	683.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01263	16.0
60.99194	0.5
69.03336	0.6
71.01261	1.3
71.58494	0.8
72.99196	1.3
75.00787	0.6
83.01286	1.4
85.02855	3.3
88.98700	2.8
89.02299	0.5
96.95899	0.9
99.00802	0.5
101.02351	0.7
108.90788	0.4
117.03358	1.7
119.04937	12.9
120.05260	0.7
125.02368	0.6
129.01784	1.0
131.03418	13.3
132.03751	0.6
135.02953	2.2
135.04422	2.0
145.02884	5.9
149.04494	100.0
150.04823	4.8
150.51344	0.4
151.04962	1.4
163.03954	34.7
164.04300	2.2
165.04323	0.5
187.88571	0.5
241.70854	0.4
246.67334	0.5
295.08270	14.9
296.08578	1.7
297.09128	0.8
463.14938	0.5
495.30313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.1
59.01258	3.3
61.98711	2.2
62.00681	0.3
67.09834	0.3
68.34030	0.3
68.89270	0.4
69.03316	0.4
69.64430	0.3
69.89258	0.3
70.89721	0.9
71.01268	2.3
71.04900	0.4
72.99194	0.4
73.02827	0.7
75.00769	0.5
83.04899	0.4
85.02837	1.1
87.00750	1.1
88.98724	0.4
89.02332	1.4
96.95904	1.3
97.02854	0.4
97.06504	0.9
99.04428	0.6
101.02350	1.1
109.02819	0.5
111.08084	0.7
113.02369	0.6
116.92775	0.4
117.86498	0.4
119.03390	0.6
119.04935	0.7
122.03690	0.5
123.04455	0.7
123.08071	1.4
125.02347	1.2
127.11263	0.5
127.73963	0.4
134.03603	0.5
135.02933	0.8
135.08083	0.4
136.05186	0.5
137.02382	1.7
137.06000	0.6
137.09596	0.5
141.09143	0.6
149.05946	1.7
150.06799	33.9
151.00310	0.5
151.03940	0.4
151.07216	1.2
152.01103	0.4
155.10765	0.6
157.08594	0.6
161.09686	0.6
163.04001	0.6
163.07576	6.1
164.08340	5.6
165.01894	1.5
165.05542	0.8
165.08983	0.3
166.51054	0.3
169.01430	0.4
176.08344	0.4
177.09222	0.6
178.09956	1.6
178.99706	0.4
179.03465	0.7
179.10739	17.6
180.11102	0.8
187.09785	0.5
188.09712	0.3
191.03496	0.5
193.05022	0.4
193.08684	0.4
201.11320	1.4
229.10846	0.7
231.38625	0.4
273.03979	0.5
292.20270	0.5
320.19861	1.0
321.20761	0.7
335.22495	0.7
341.23407	0.8
343.21347	3.9
344.21683	0.5
364.22607	2.1
441.30078	0.9
459.31207	0.9
462.29871	2.1
476.31320	0.6
477.32281	7.7
478.32794	0.8
478.75137	0.4
504.31000	1.0
505.31845	2.7
506.32211	0.5
522.32056	3.0
523.32837	24.1
524.33301	4.4
525.17578	0.4
685.38171	100.0
686.38531	18.4
686.50793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06544	0.4
57.03325	0.6
59.01268	3.4
61.98710	2.6
69.03346	0.4
71.01282	2.8
73.02817	0.9
78.95796	0.5
83.01266	0.7
84.02837	0.4
85.02847	1.1
87.00766	1.2
89.02335	1.3
96.95906	1.1
97.06502	1.3
98.19840	1.1
99.04436	0.8
101.02334	0.7
109.02865	0.9
111.08073	0.7
113.02352	0.7
113.06008	0.5
116.92772	0.7
119.04946	0.6
123.04434	0.7
123.08077	1.6
124.01514	0.7
125.02361	2.4
125.09690	0.6
135.02904	1.0
135.04459	0.7
136.05214	0.7
137.02348	2.3
139.07607	0.5
149.06033	1.9
150.06807	33.7
151.07253	1.6
161.02269	0.6
161.09644	0.6
162.06807	0.6
163.03949	0.8
163.07581	5.8
163.11139	0.5
164.08385	6.0
165.01883	2.8
165.05493	0.7
176.08377	0.7
177.09143	0.7
178.09955	1.4
179.03508	0.7
179.10738	19.1
180.11044	0.9
189.54547	0.5
191.03436	0.8
201.11314	2.0
205.05058	0.6
229.10847	1.4
299.18854	0.7
320.19946	2.1
335.22330	1.6
341.23334	0.9
343.21289	5.8
364.22687	2.7
445.29648	0.5
459.31247	1.3
462.30020	2.0
476.31461	0.8
477.32214	8.1
478.32535	1.3
504.31418	1.3
505.32025	2.3
522.32172	2.9
523.32855	29.4
524.33234	5.0
659.30206	0.5
685.38208	100.0
686.29443	0.9
686.38593	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	686.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70665	0.4
58.00465	0.6
59.01262	17.7
60.01603	0.8
71.01269	11.0
72.99177	1.4
73.02815	0.6
81.36745	0.4
85.02848	2.5
87.00750	0.9
89.02328	10.9
90.02682	0.7
93.03316	0.9
95.01295	1.0
96.95852	0.5
99.00752	0.6
101.02347	7.9
106.06505	1.8
113.02345	3.6
119.03410	4.1
119.04942	0.9
122.06039	2.2
125.02340	1.0
132.04462	1.5
134.06036	11.2
135.02882	1.2
137.02353	1.7
143.03386	1.0
150.03230	0.5
150.05511	1.2
152.07150	2.5
160.03954	1.0
161.02328	0.6
161.04486	0.9
163.03943	0.8
168.44064	0.4
176.07043	0.5
179.03435	0.9
179.05534	1.6
190.05051	3.3
211.12404	0.7
215.11903	0.9
224.09512	1.6
226.07407	0.7
227.08224	0.5
227.11908	0.5
229.87474	0.4
236.09660	0.7
239.08086	0.7
239.11923	7.6
240.10281	0.6
241.09813	1.7
251.08162	0.5
251.11877	1.3
253.06233	1.7
253.09912	0.8
255.07848	0.7
255.11380	1.7
263.08188	0.4
265.06216	0.5
265.09827	1.0
266.06924	1.0
267.07806	2.3
267.11322	0.7
268.08487	1.7
279.07776	0.6
280.08636	2.5
281.09308	1.5
283.10941	18.8
284.11282	1.4
287.10287	0.8
291.07761	1.3
295.10922	8.3
296.11398	0.7
305.09225	1.0
306.10175	0.5
307.10846	0.5
309.08829	1.9
309.12119	0.5
314.12299	1.2
315.13550	1.5
321.08649	0.7
323.10437	0.8
327.13669	1.5
337.11896	0.8
341.10645	0.7
342.10580	0.6
358.19257	0.6
359.15079	0.5
360.15121	0.6
371.14957	1.3
372.15295	1.6
386.18671	0.6
402.18387	1.4
430.17709	1.9
486.16821	0.7
582.24664	1.9
610.24017	1.8
626.23761	0.8
638.24811	0.6
654.23578	4.2
655.23273	0.7
658.26355	0.7
686.25787	100.0
687.26007	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20108	0.9
56.47086	0.7
57.03332	0.7
58.00460	0.9
59.01262	22.4
59.73037	0.8
60.01590	0.9
64.88367	0.7
68.97409	0.7
69.86275	5.0
71.01268	14.4
72.99198	1.8
73.03947	0.7
83.01270	1.4
85.02838	4.4
87.00800	0.9
89.02344	12.3
90.02622	0.8
93.03359	1.1
95.01281	1.3
96.95936	1.0
101.02345	7.4
106.06523	1.8
113.02362	4.5
119.03408	5.1
119.04930	1.8
121.02827	0.8
122.06017	3.9
125.02348	2.2
130.08630	2.3
132.04478	2.3
134.06042	13.8
135.02931	1.8
137.02364	2.2
145.05078	0.7
146.76411	0.7
149.02463	0.9
149.89699	0.8
150.03117	1.2
150.05513	1.0
151.00287	1.0
151.03706	0.9
152.07117	2.7
160.03957	1.6
161.02380	0.9
161.04576	0.9
166.06277	1.8
176.03511	1.1
176.07140	1.2
179.03459	1.2
179.05559	1.3
180.07857	0.8
181.08670	2.3
185.16443	0.8
190.05034	4.3
206.56168	0.7
209.08163	3.2
215.11913	1.9
224.09497	1.4
227.08334	0.9
230.12819	0.9
238.07497	1.2
239.11911	8.7
241.09912	2.5
250.07671	1.2
251.08212	0.8
251.12091	1.6
253.06169	2.4
253.09875	1.4
255.07941	0.8
255.11331	1.3
267.07797	3.3
267.11636	1.3
268.08649	1.6
277.10065	0.9
279.07773	1.3
279.11072	0.9
280.08508	2.8
281.09183	1.2
283.10950	21.3
283.14145	1.1
284.11139	1.9
287.10504	1.3
289.07053	0.9
295.10901	9.6
296.11514	1.5
305.09445	1.0
309.08862	3.3
314.12418	1.6
315.13571	2.6
327.13748	1.2
337.11792	1.0
371.15225	2.0
372.15286	2.0
402.18268	2.2
430.17822	2.4
610.24188	1.3
642.34778	2.1
654.22736	5.3
658.26276	1.3
686.25830	100.0
686.36182	3.5
687.26056	23.1
687.37994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53231	0.4
55.01786	0.4
57.03331	0.8
59.01268	7.0
61.98712	1.3
69.03342	2.8
70.73692	1.4
71.01266	6.8
71.04918	1.8
72.01677	0.4
72.99189	0.9
73.02836	1.7
80.02564	0.6
81.03352	1.7
83.01288	0.7
83.04919	4.0
84.02088	1.3
85.02843	1.6
87.00789	1.0
89.02350	3.4
93.03378	0.5
95.01294	0.7
95.04920	1.0
96.95906	2.0
97.02841	1.0
97.06502	0.9
99.00780	1.8
101.02335	4.5
105.01802	0.4
107.99445	0.5
109.06496	1.0
113.02368	2.2
113.03074	0.4
117.30560	0.4
119.03430	1.0
123.08073	1.1
125.02372	1.5
125.05981	1.0
125.09666	2.1
125.45353	0.4
131.46523	0.4
135.02902	0.7
135.04395	0.5
135.08087	0.8
137.02364	1.7
139.03871	0.7
151.00310	0.8
151.11195	2.7
153.12798	1.7
161.04504	1.0
161.09676	3.1
163.11217	4.0
165.01863	0.9
165.12834	2.0
171.10225	1.7
172.77867	0.5
178.99902	0.5
179.05495	0.6
179.10713	6.9
181.12305	2.1
191.10741	0.6
195.10144	0.6
197.11812	65.5
198.12099	2.8
199.13304	1.1
205.08780	0.8
207.10257	3.1
209.11818	46.0
210.12100	3.3
211.13437	0.6
223.09760	1.4
223.13231	0.4
225.11382	4.0
227.12918	3.8
235.08115	0.6
241.10841	3.9
243.12335	1.6
253.09308	3.0
289.07312	0.5
459.18872	1.0
461.19177	0.5
471.31073	1.4
477.19901	2.0
627.36993	0.5
636.85571	0.5
669.31201	1.2
681.56732	0.5
687.32446	100.0
688.32867	20.8
704.46252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22771	0.4
57.03345	1.0
57.48604	0.5
59.01256	4.3
59.96394	0.4
61.98714	3.6
66.15195	0.4
69.03339	4.1
69.93297	0.9
69.93713	1.6
71.01263	3.1
72.90688	0.4
72.99212	0.5
73.02834	1.0
75.00755	0.6
78.83205	0.4
81.03355	0.9
83.01275	2.1
83.04898	0.5
85.02851	1.8
87.00740	0.5
89.02361	2.1
95.01281	3.1
96.39570	0.5
96.95911	1.4
97.02837	4.5
98.19890	0.7
98.28906	0.5
99.00766	0.6
101.02341	1.6
107.01304	1.7
108.02076	0.9
109.02852	1.3
109.06550	0.5
111.00819	0.5
113.02329	1.2
119.03424	0.7
119.04974	1.2
120.17272	0.5
120.99566	18.5
121.02888	0.6
122.03677	0.5
123.00783	8.4
123.04403	0.9
124.01578	25.7
125.02361	63.0
126.02699	1.9
127.07738	0.6
135.02980	1.0
135.04442	1.9
136.01543	0.7
137.02368	4.3
139.04005	0.7
148.79153	0.5
149.02399	0.7
149.99516	30.6
150.06790	0.6
151.00331	5.6
151.03917	1.5
152.01086	0.7
153.01839	0.5
155.10680	0.8
160.01549	0.6
161.04559	0.7
163.03896	1.3
165.01888	1.7
167.03459	2.9
168.00584	64.6
169.01355	14.0
171.10229	1.9
177.09097	0.6
178.99823	1.3
179.03429	0.9
179.10716	0.6
181.05045	0.7
181.12308	0.9
193.01399	1.0
197.11829	0.5
207.10249	2.3
209.11829	2.0
211.02362	0.7
215.06895	0.6
225.11273	5.6
227.12886	1.5
301.03528	0.8
302.91754	0.5
313.05875	1.2
373.26080	3.4
385.78397	0.6
628.81165	0.6
641.31378	1.2
669.31689	0.8
687.32288	100.0
688.22406	0.8
688.32684	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72211	1.0
57.53680	1.2
59.01265	16.9
61.98706	3.4
70.31852	1.3
71.01263	7.7
71.56243	1.8
73.02840	2.6
76.45899	1.2
83.01276	2.3
83.22274	1.2
85.02843	1.8
87.00747	1.3
88.98714	1.2
93.70866	1.3
96.26839	1.1
96.95905	4.2
97.02842	1.7
97.06506	3.1
97.90649	1.2
101.02325	7.5
109.02847	2.3
111.04426	1.5
113.02341	3.3
125.02345	3.2
135.02927	2.9
137.02370	3.5
146.77646	1.3
161.04521	1.8
165.01810	1.5
167.03366	1.5
171.10233	2.0
172.34323	1.4
178.99915	1.4
180.47905	1.4
183.95636	1.5
197.11775	3.6
206.72801	1.4
207.10240	2.0
209.11809	7.0
211.13281	2.1
214.80525	1.3
219.05711	1.3
225.11313	3.6
253.09221	1.6
279.34268	1.3
290.47400	1.3
311.80258	1.3
347.23975	1.4
371.27344	1.3
383.62897	1.8
387.25864	1.9
405.27985	1.6
423.29178	2.1
433.25980	2.3
437.30823	17.9
438.31372	1.8
439.28494	2.1
453.30145	4.6
459.23944	1.3
459.31262	1.5
468.85193	1.3
469.29843	2.9
470.28983	1.2
471.31232	100.0
472.31583	16.1
483.31302	19.3
484.31628	3.1
487.34186	4.9
515.29993	3.8
525.32635	1.5
687.31665	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	689.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77522	0.4
57.03329	1.2
57.58933	0.5
59.01255	2.0
63.02271	1.8
63.35358	0.4
65.00222	3.4
70.33073	0.9
70.33460	0.9
71.01267	1.3
72.78355	0.4
81.03333	0.6
83.01275	3.0
85.02874	0.4
87.00786	0.7
90.98483	2.5
93.03333	0.4
95.01265	0.6
96.95908	1.2
101.02353	0.9
102.92690	0.4
107.00634	0.5
107.01299	6.1
109.02818	0.8
111.00759	0.5
119.04977	0.4
121.02831	0.5
122.02277	0.4
123.00762	0.7
123.04385	0.6
124.01577	1.8
125.02357	11.0
126.38535	0.4
133.02876	0.5
134.40181	0.4
135.00755	0.7
135.04463	0.8
136.01559	0.5
137.02356	1.4
146.03625	0.5
149.02400	0.4
149.99536	1.0
151.00305	25.1
152.01091	3.9
157.06578	0.4
159.04483	0.8
161.02383	0.6
162.03177	1.0
163.00301	1.7
163.03998	0.8
163.11209	0.6
164.01118	2.0
165.01874	1.0
168.00595	1.1
169.01335	2.5
171.04420	0.6
171.10216	6.9
175.03900	0.5
176.01109	2.6
177.01872	1.8
177.05556	0.4
178.99818	25.8
180.00366	0.6
184.05302	0.5
187.04021	0.7
188.04858	0.6
189.01929	0.8
190.02652	0.9
191.03349	0.5
192.00606	4.9
193.01413	4.1
198.03148	0.4
199.03900	0.8
200.04678	0.5
201.01897	0.7
201.11276	0.8
202.02794	0.5
203.03471	1.4
205.01424	1.2
206.02116	0.4
207.10172	0.9
209.11818	13.4
210.12132	0.6
211.04092	0.7
212.04768	1.5
214.02678	0.5
215.03471	1.1
217.01411	0.7
219.02959	1.2
225.05917	2.0
225.11293	3.1
227.03426	1.6
227.12880	1.3
228.04228	0.8
231.02979	1.3
233.00909	0.6
233.04416	0.5
237.05698	0.6
239.14406	0.5
240.04305	1.8
242.02164	1.2
243.02997	3.1
244.03694	0.6
245.00911	0.6
245.04604	0.8
253.09299	1.3
255.02969	0.8
256.03754	3.9
257.15536	0.7
259.02466	2.9
261.04083	0.7
267.02789	0.6
268.03720	0.8
271.02509	1.4
280.03632	0.5
281.04718	0.8
282.05365	1.9
283.02643	0.5
283.13306	0.6
284.03323	2.1
287.02017	4.1
288.02734	2.9
293.04807	0.8
295.06104	0.7
296.03552	0.5
298.01245	3.4
301.14496	0.6
305.13998	0.9
309.04080	1.2
312.02805	1.9
315.01529	3.9
316.02258	4.8
324.02753	0.6
329.14001	0.7
341.17780	0.6
365.00134	0.5
391.15500	0.6
407.14908	1.3
409.16483	0.6
419.14917	2.1
424.15421	0.6
425.16119	9.4
426.16455	1.1
427.17661	0.6
435.14511	1.7
437.16119	10.4
438.16830	1.0
453.15567	8.2
454.15683	0.7
455.17245	20.0
456.17331	2.0
461.20224	0.6
462.08173	0.6
463.13995	3.5
464.14447	0.8
471.16800	1.0
478.07761	3.1
481.15109	100.0
482.15488	11.9
499.16211	20.2
499.21786	0.4
500.16190	2.4
523.16156	1.7
526.19342	0.4
627.20978	3.6
645.22058	2.9
646.21851	0.6
653.32025	0.5
689.22552	0.9
689.33984	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	5.9
59.01261	15.4
61.98730	1.5
63.02274	3.0
65.00207	8.7
65.39885	1.3
69.03353	1.6
70.45218	5.2
71.01270	12.7
71.04904	2.9
73.02822	3.4
78.95777	1.5
81.03345	3.3
83.01275	9.2
83.04910	4.2
85.02828	3.7
87.00799	2.8
89.02332	8.0
93.03342	1.6
95.01311	2.9
95.04906	2.4
96.95914	5.0
97.02840	4.0
97.06474	3.1
99.00790	14.3
101.02351	8.3
107.01293	15.7
109.02893	2.5
109.06476	3.0
113.02331	3.5
119.03389	1.2
119.04848	1.6
121.02875	1.9
121.94893	1.1
123.00815	1.5
123.04404	1.3
123.08065	1.5
124.01554	3.2
125.02357	24.3
125.09629	8.2
129.06122	1.1
135.02968	1.2
135.08012	2.3
137.02415	6.3
149.02342	1.9
151.00304	58.4
152.01080	6.9
153.12843	1.1
159.04431	3.3
161.02368	2.0
161.04497	2.0
163.00311	4.0
163.11247	12.3
164.01105	3.9
165.01860	4.9
167.03452	1.7
169.01410	6.1
171.10217	30.0
174.03134	1.4
175.03970	2.0
176.01109	2.8
177.01862	3.2
178.99814	47.0
179.03345	1.8
181.12323	18.1
185.11826	1.2
186.06836	1.3
187.04027	2.9
189.01886	2.3
190.02727	2.1
191.03415	1.5
191.10732	1.9
192.00607	8.6
193.01430	8.6
197.11700	1.6
198.06831	1.2
199.03886	1.5
199.13387	10.7
201.11221	3.2
202.02681	1.9
203.03447	7.0
205.01448	2.4
207.10263	26.4
209.11815	72.5
210.12132	1.6
212.04709	4.1
215.03456	4.8
217.37093	1.4
219.02954	2.9
221.87979	1.2
225.11328	43.0
226.11794	1.3
227.03465	2.5
227.12907	11.6
228.23378	1.3
229.05013	1.3
230.02338	1.3
231.02963	3.9
233.04620	3.1
235.08191	3.3
237.05598	1.3
239.03429	1.3
240.04187	1.5
241.05142	2.0
242.02130	1.6
243.03049	6.8
243.12393	23.0
244.03674	2.2
245.00874	3.8
245.04474	3.1
247.17009	1.4
253.09306	6.4
255.02975	2.7
256.03864	5.9
259.02533	14.2
260.02689	2.0
269.04514	2.3
271.02521	9.6
284.03278	2.1
287.02023	15.3
288.02496	1.6
291.19788	10.5
305.14075	2.0
309.04037	1.8
315.01505	27.7
316.02264	13.5
317.02985	5.4
329.13910	1.8
347.14758	3.6
357.17334	1.5
369.16995	1.4
381.17102	1.9
397.13498	5.5
409.16745	3.2
413.16302	1.3
415.14468	2.7
419.15295	1.6
425.16125	13.1
427.17743	5.9
435.14273	1.9
437.15945	6.3
453.15598	6.3
455.17172	26.7
456.17310	3.6
457.15329	2.0
461.20340	4.1
462.08298	2.3
463.08759	6.0
463.14301	3.4
467.28134	2.2
471.16956	1.8
477.06891	6.8
478.07629	25.9
479.08264	2.3
479.21451	8.1
481.15115	91.5
482.15326	8.6
485.29187	4.5
493.20847	1.5
499.16199	98.2
500.16653	10.2
541.17120	4.0
627.21051	3.1
645.11090	2.8
645.21979	70.7
646.22382	12.8
671.32910	5.1
689.22235	5.1
689.33966	100.0
690.34503	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	689.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	1.6
59.01258	4.2
63.02274	2.4
65.00206	4.8
69.25938	8.5
71.01273	3.1
75.88223	0.7
81.03323	0.9
83.01260	3.7
84.13290	0.7
85.02853	1.5
89.02309	1.4
93.03326	0.7
95.01258	0.9
96.95897	1.9
97.02856	1.1
98.20630	1.4
101.02340	1.8
107.01301	6.4
109.02907	1.0
111.04394	0.7
113.02327	0.8
121.02803	1.1
123.04361	0.9
124.01558	2.9
125.02372	11.4
135.04459	0.9
137.02382	5.0
143.04813	1.0
148.81186	0.9
151.00308	29.8
152.01009	2.9
153.01897	0.9
157.06487	0.8
159.04404	0.9
163.00316	1.7
163.11191	1.3
164.01041	1.4
165.01852	2.9
167.03455	0.9
169.01358	2.7
171.04424	1.0
171.10202	3.5
174.03227	0.8
175.03943	1.4
176.01176	1.4
177.01875	2.4
178.99820	24.2
179.03342	1.8
180.00261	1.2
181.12280	1.8
187.03957	1.4
189.01874	0.9
190.02634	1.5
192.00604	3.1
193.01352	5.0
197.11707	1.0
199.03923	1.0
199.13394	5.1
201.11313	1.8
203.03421	4.0
205.01439	1.4
207.10208	2.2
209.11813	11.7
211.13286	1.2
212.04720	0.8
214.02737	1.0
215.03471	2.4
217.04955	0.8
219.02849	1.4
225.05508	0.9
225.11287	3.3
227.03392	1.9
227.12874	2.8
231.02930	2.6
232.03741	1.2
242.02171	2.0
243.02985	5.5
243.12389	1.7
245.00909	1.8
256.03748	2.5
259.02545	6.5
261.04111	1.1
269.04517	1.1
270.01746	0.9
271.02417	3.7
272.03391	1.4
273.14960	0.9
284.03339	1.4
287.02023	11.8
288.02737	4.0
295.05957	0.9
298.01239	6.9
301.14615	1.1
305.14008	1.4
308.97513	0.8
309.04163	1.7
312.02844	1.0
315.01505	15.0
316.02161	9.9
324.02869	0.8
329.14029	2.3
331.00919	1.9
409.16574	1.1
425.16116	5.8
435.14569	0.9
437.16248	1.7
453.15717	11.9
454.15863	1.3
455.17157	1.6
462.08276	1.9
463.14267	4.0
471.16248	1.2
477.06943	2.1
478.07587	12.3
479.07764	1.4
481.15118	100.0
482.15424	11.7
499.16199	37.7
500.16409	3.5
523.16376	1.8
531.13873	0.8
548.59851	0.8
605.88275	0.9
627.20740	4.0
645.21930	4.7
689.21735	2.4
689.33600	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	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03158	0.2
52.44750	0.2
55.01756	0.5
57.03319	1.0
58.00460	0.8
59.01263	19.5
61.63991	0.2
61.98713	1.5
66.74225	0.2
68.85371	0.3
68.99680	0.5
69.03328	1.1
71.01267	25.3
71.04889	0.4
71.56157	0.4
72.99193	1.8
73.02834	3.8
75.00755	0.4
76.35246	0.3
78.95790	0.5
80.02590	0.3
81.03344	1.1
83.01286	2.3
83.04896	1.0
85.02843	4.5
85.99979	0.3
87.00769	4.2
88.98687	0.3
89.02334	15.2
90.02680	0.2
91.03898	0.2
92.38227	0.2
95.01287	1.2
95.04922	0.5
96.95946	1.2
97.02850	2.7
97.06457	0.4
99.00779	1.5
99.04395	0.3
101.02341	15.0
109.02858	0.6
109.06458	1.2
111.00745	0.4
111.04428	0.5
113.02350	6.5
113.43999	0.2
114.02664	0.3
115.03892	0.6
119.03412	4.6
119.04874	0.3
121.02889	0.3
123.00760	0.3
123.04451	0.3
124.01588	0.4
125.02367	6.3
125.05995	0.7
125.09628	0.6
127.11244	0.5
131.03412	0.6
133.04999	0.3
137.02379	1.0
139.03967	0.4
141.01816	0.3
143.03429	2.9
148.08852	0.7
149.04411	0.4
150.03087	0.3
150.10475	0.7
151.00305	0.4
151.11192	0.9
161.02460	0.4
161.04501	3.2
163.11252	2.4
165.01872	0.6
165.12807	17.2
166.13129	1.0
167.03430	0.5
171.10219	4.3
175.11252	0.5
176.12000	0.5
177.01852	0.3
177.12904	0.3
178.99876	0.3
179.05576	3.3
181.12279	0.8
183.13843	0.3
185.04457	0.4
189.02081	0.3
191.14366	0.5
193.12135	0.3
197.11803	0.8
199.13354	1.1
201.11336	1.6
207.10248	3.1
209.11816	16.0
210.12175	0.8
211.13412	0.4
215.12746	0.3
217.07141	0.5
217.15968	0.3
221.06604	1.0
225.11340	5.4
227.12878	2.1
235.08247	6.5
242.13213	0.3
243.12372	1.1
245.06712	0.5
245.19101	0.4
247.20697	9.3
248.20985	0.7
253.09320	2.8
263.07700	0.5
273.18665	5.1
274.19061	0.4
277.09424	0.4
287.07825	1.5
291.19714	100.0
292.20068	7.7
305.08835	1.6
305.21634	0.3
315.01642	0.6
323.09964	1.1
361.11594	0.3
367.64764	0.3
379.12555	0.7
397.13580	42.9
398.14001	3.4
415.14658	25.7
416.15082	1.9
417.22876	0.3
441.33615	1.3
443.19528	0.3
455.31015	0.3
461.20367	0.8
473.32870	1.4
485.32919	5.2
486.32959	0.3
498.35599	0.3
653.32599	0.6
671.32971	0.7
689.33929	4.6
690.35345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13795	0.5
53.00192	0.7
55.01762	0.7
57.03331	1.5
58.00462	0.8
58.64749	0.4
59.01270	9.1
61.98713	2.0
69.03349	0.8
70.81496	1.2
70.81831	1.0
71.01270	52.2
71.04912	0.7
72.01601	0.8
72.99201	1.0
73.02851	4.2
78.95785	0.9
80.02565	1.5
81.03355	2.6
83.01285	1.7
83.04913	6.4
84.02042	1.5
85.02853	3.9
86.45065	0.5
87.00771	2.1
89.02345	3.4
93.03321	0.6
95.01286	0.9
95.04904	1.9
96.95901	1.9
97.02858	2.9
97.06484	0.7
99.00787	2.1
101.02351	5.1
107.04916	0.6
109.02854	0.9
109.06512	5.4
110.03658	0.6
111.04415	0.7
113.02353	3.1
119.03395	0.7
121.06523	0.6
125.02361	4.1
125.05977	0.6
125.09650	2.2
127.11200	2.2
134.03656	0.6
135.04462	0.8
135.08130	1.2
136.05287	0.7
137.02393	3.9
139.07552	0.7
139.11169	0.6
143.03436	1.3
145.05006	0.8
149.02325	0.7
150.03185	1.7
151.00330	1.0
151.03897	0.9
155.10727	1.0
161.04504	1.9
161.09593	1.1
163.11244	8.8
164.00996	0.7
165.01854	2.8
165.09177	0.9
165.12805	2.7
167.03461	1.4
167.10654	0.7
171.10226	33.6
172.10562	1.8
175.03963	0.8
177.01863	0.9
177.47568	0.6
178.99863	1.2
179.03423	0.7
179.05580	0.8
181.12314	3.3
184.21581	0.6
185.11787	2.4
189.09164	1.5
191.10712	1.2
197.11832	3.0
197.13354	0.5
199.13425	1.7
201.11290	14.0
202.11583	0.9
207.10249	16.9
208.10564	1.2
209.11819	100.0
210.12148	5.9
211.13388	1.6
215.12810	1.8
225.11324	26.9
226.11650	1.9
227.12918	12.6
228.13210	0.6
233.11899	0.7
235.08160	3.2
243.12390	2.1
248.02280	0.6
251.12953	1.5
253.09340	9.3
271.02521	0.8
289.07080	0.9
291.19690	0.9
315.01572	1.7
319.46378	0.6
331.01041	0.8
355.23074	0.7
397.13959	0.6
399.21786	1.6
407.18939	0.7
417.22812	1.4
443.19177	0.8
445.20749	0.6
461.20364	4.1
462.20929	0.7
478.07742	1.1
479.21725	0.9
485.32877	25.1
486.33179	3.2
487.22134	1.0
635.30975	1.2
653.31439	3.0
661.53284	0.6
671.33032	3.3
672.33325	1.1
689.34418	8.4
690.35242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03319	1.3
58.00476	1.0
59.01265	22.0
61.98709	0.8
69.03332	1.1
69.27979	3.2
71.01269	18.6
72.99184	1.4
73.02834	2.8
75.00754	0.3
78.95790	0.7
80.96438	0.4
81.03333	0.9
83.01292	2.0
83.04900	0.9
85.02836	4.3
87.00764	3.6
87.04412	0.3
89.02332	14.2
93.03332	0.7
95.01286	1.6
95.04914	1.1
96.95900	0.4
97.02856	2.1
98.19825	0.4
99.00764	1.2
101.02345	13.9
102.02639	0.3
103.00253	0.3
106.04092	0.3
108.96625	0.3
109.06487	0.8
111.00756	0.5
111.04419	0.6
111.08065	9.1
113.01626	0.5
113.02351	6.6
113.09614	0.5
119.03410	4.5
121.02870	0.5
124.01510	0.3
125.02365	5.3
127.03896	0.4
129.41008	0.3
131.03404	0.9
133.05017	0.5
137.02357	0.6
137.09601	0.3
139.03922	0.4
141.01802	0.3
143.03430	1.9
149.04462	0.4
149.09645	0.7
151.00302	0.6
155.10628	0.4
161.04492	2.6
165.01765	0.4
167.03279	0.3
167.10741	2.4
169.12291	0.4
171.10194	1.4
177.12840	1.9
178.99745	0.3
179.05571	3.0
179.10751	1.8
195.13884	6.6
196.14148	0.4
197.11852	0.8
199.06110	0.3
201.11307	0.7
203.14322	0.5
207.10223	0.4
209.11823	4.6
210.12119	0.4
211.13367	1.7
221.06718	1.3
221.11984	0.3
225.11343	1.0
227.12901	0.7
235.08229	4.8
235.10396	0.5
247.20700	2.9
253.09358	1.8
255.17941	0.3
263.07755	1.0
273.18655	1.2
277.09406	0.4
287.07898	0.7
289.07364	0.3
291.19720	100.0
292.20074	8.9
305.08847	1.0
315.01566	0.6
323.10052	0.5
379.12842	0.3
397.13583	44.2
398.13937	3.5
415.14655	23.4
416.14932	1.6
585.39838	0.4
611.38159	0.6
651.39899	1.2
653.40106	0.4
689.33844	6.8
690.34711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03335	3.5
59.00996	0.7
59.01264	9.8
61.47881	0.5
61.98710	1.5
63.02274	1.7
65.00204	2.2
69.03326	1.4
69.21046	0.5
69.34616	5.7
71.01264	10.9
71.04917	2.9
72.99193	1.7
73.02826	2.1
74.93586	0.5
75.00768	0.8
80.02574	1.4
81.03339	1.5
81.89947	0.5
83.01269	4.0
83.04904	4.7
84.02068	1.0
85.02848	2.8
86.32973	0.5
87.00755	1.8
89.02328	5.1
93.03351	1.1
95.01259	1.5
95.04910	2.3
96.95901	1.9
97.02842	4.3
97.06513	2.6
99.00174	1.0
99.00780	16.7
101.02347	6.6
106.04145	0.6
107.01295	5.8
107.04890	0.6
108.02094	0.8
109.02845	1.6
109.06474	2.4
110.03645	0.9
111.00781	0.7
111.04438	0.8
113.02373	2.6
119.03394	1.6
119.04971	0.9
121.02847	0.9
123.00828	0.9
123.04389	0.7
123.08057	1.7
124.01565	1.7
125.02370	12.3
125.05956	0.7
125.09648	7.7
127.11211	0.9
135.04434	1.1
135.08083	1.4
135.98245	0.8
137.02377	6.5
142.02637	0.7
143.03403	0.6
145.02718	0.6
145.04984	0.8
147.04533	0.9
151.00305	20.9
151.03925	0.8
151.07588	0.9
152.00990	1.8
153.12779	1.4
155.14240	0.6
159.04465	0.6
161.02339	1.2
161.04491	1.7
161.09744	0.7
163.00279	1.0
163.03958	1.2
163.11226	14.5
164.01076	1.8
164.11546	0.8
165.01920	3.6
165.12775	2.6
167.03394	1.5
169.01369	2.7
171.04475	0.7
171.10211	24.6
172.10545	0.6
174.03140	0.6
175.03903	1.1
176.01117	0.6
177.01869	1.3
178.99826	16.1
179.03387	1.3
179.05574	0.9
179.10794	0.9
180.00143	0.9
181.12300	18.3
182.12625	0.7
185.11758	1.1
187.03967	1.2
189.01923	1.3
189.09158	0.8
190.02670	1.1
191.10725	0.9
192.00592	2.6
193.01385	2.9
197.11847	1.4
199.03975	1.2
199.13374	11.0
201.11247	2.4
203.03456	4.0
205.01468	1.0
207.10246	27.5
208.10585	1.7
209.11812	68.5
210.12111	4.2
212.04623	0.6
213.01947	0.7
214.02670	0.7
215.03461	2.2
217.05138	0.6
219.02930	1.5
225.11314	46.1
226.11678	2.6
227.03540	1.2
227.12917	7.9
231.02911	2.3
233.04492	0.9
235.08141	2.2
240.04324	1.0
242.02206	0.7
243.02998	2.3
243.12399	21.6
244.03604	0.7
244.12746	1.2
245.00882	1.1
245.04672	0.7
253.05124	0.7
253.09331	5.2
256.03726	1.7
258.01770	0.7
259.02518	7.4
269.04633	1.3
270.05316	0.6
271.02530	5.9
272.02872	0.8
279.12393	0.8
287.02020	10.6
288.02399	1.6
291.19711	7.4
292.19830	1.0
300.02780	0.6
301.03430	0.8
305.13986	1.0
309.03952	0.8
315.01550	21.3
316.02240	10.6
317.02936	2.8
329.14145	0.9
341.17737	0.7
347.15070	1.8
393.17090	0.6
394.99646	0.6
397.13559	3.0
407.19241	1.0
409.16611	1.5
415.14682	1.6
425.16083	4.4
426.16547	1.1
427.17685	2.3
437.15976	2.5
445.20688	1.3
453.15628	1.2
455.17258	8.4
456.17621	0.9
461.20306	5.1
462.07843	0.9
463.08725	3.3
463.14270	1.2
464.09039	0.7
471.16147	0.7
477.06821	4.5
478.07639	21.8
479.07880	2.5
479.21481	8.8
481.15173	29.8
482.15591	5.0
485.29770	0.6
485.32806	0.8
491.13882	1.2
499.16211	29.6
500.16675	4.8
527.15753	1.0
541.17267	0.7
596.23254	0.7
645.21930	20.2
646.22028	4.8
653.32013	1.4
671.22992	0.7
671.33057	4.4
671.75769	0.7
672.33704	0.8
689.33978	100.0
690.34448	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	689.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78703	0.3
51.83128	0.2
55.01769	1.2
56.05996	0.3
57.03337	0.9
58.00487	1.5
59.01262	44.8
60.01608	0.4
61.98723	0.5
65.00213	0.5
68.99721	0.3
69.03342	1.1
69.84429	1.6
71.01266	23.7
71.04913	2.1
72.01601	0.2
72.99195	1.4
73.02832	33.2
74.03196	0.3
75.00757	1.4
75.96891	0.3
79.95612	0.3
81.03351	0.6
83.01275	11.5
83.04915	8.0
83.06906	0.3
84.02096	0.3
85.02840	1.5
87.00776	0.8
87.04433	0.7
89.02345	1.1
93.03369	0.3
95.01291	0.4
96.95907	0.7
97.02830	0.5
97.06482	1.7
99.00790	0.6
99.04423	0.4
101.02341	38.2
102.02692	0.7
107.01293	0.8
107.30885	0.3
107.64052	0.3
107.76392	0.2
108.02115	0.4
109.02869	0.5
113.02355	4.4
119.04937	0.4
120.99586	0.8
121.06522	0.4
123.04416	0.4
123.08078	0.7
125.02360	3.7
131.03429	2.5
135.02934	1.1
135.04463	0.5
135.08112	0.5
137.02380	1.0
143.03439	1.2
149.02434	0.4
151.00298	2.7
152.00890	0.5
153.01842	0.5
155.03429	1.0
159.04411	0.5
161.02405	0.4
161.04475	2.3
165.01920	0.4
169.01364	0.7
175.11252	1.0
177.01878	0.4
178.99785	3.0
179.03455	0.4
180.00070	0.4
192.00674	0.3
193.01410	0.4
203.05635	1.2
205.12367	0.5
209.11786	0.5
243.03123	0.3
255.03018	0.4
289.07297	0.7
292.63297	0.3
309.22305	4.4
310.22852	0.5
311.23868	0.3
316.02280	0.6
321.22217	0.3
323.20398	0.4
325.21710	0.3
327.23474	1.4
339.23325	1.8
347.24094	0.4
351.23383	0.4
357.13474	0.7
359.23853	0.4
361.25467	0.4
371.22226	0.3
373.25476	1.0
375.26996	2.7
377.28839	0.4
387.27029	1.1
389.12891	0.3
391.26532	1.1
393.28149	1.0
395.25861	2.5
403.26392	1.6
405.28104	6.0
406.28467	1.2
407.25900	1.8
409.27682	1.3
410.27914	0.4
413.27145	0.4
419.25974	0.6
421.27545	1.2
423.29160	0.9
433.27448	0.4
435.11191	0.4
435.29791	0.5
437.27042	5.6
438.27399	0.9
445.27856	0.8
449.27051	16.3
450.27539	2.7
450.33194	0.5
451.28647	2.5
452.28839	0.4
455.28116	1.3
463.28656	8.2
464.29068	1.0
467.28104	100.0
468.28415	17.6
469.29926	0.7
479.28430	0.5
481.29684	22.2
482.30103	3.6
485.29172	26.5
486.29471	4.2
491.27945	0.3
497.29190	9.3
498.29541	1.2
499.16724	0.5
499.30768	5.4
500.31116	0.9
509.14670	1.4
509.29163	7.8
510.29669	1.1
515.19476	0.4
527.15979	1.0
527.30231	3.7
528.30682	0.6
551.30402	0.6
627.21558	0.3
659.34253	0.5
671.34180	1.5
689.21283	2.1
689.34937	1.3
690.21686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65877	0.1
59.01273	0.9
61.98717	0.2
69.45773	0.9
71.01252	0.8
73.02834	0.3
75.87019	0.1
83.01264	0.2
85.02815	0.3
89.02334	0.2
96.95914	0.1
101.02404	0.6
109.02899	0.2
113.02341	0.2
125.02364	0.3
137.02371	0.4
143.03305	0.1
150.03142	0.1
151.00319	0.3
163.00107	0.1
165.01839	0.3
171.10300	0.2
178.99734	0.2
199.13394	0.2
209.11783	0.8
211.13461	0.1
214.96452	0.1
259.02551	0.2
271.02551	0.2
287.02234	0.2
315.01483	0.8
316.02310	0.5
357.25983	0.1
473.32468	0.1
478.07559	0.7
485.32813	100.0
486.33160	13.6
527.34198	0.2
689.21075	0.3
689.33209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27352	0.3
52.51051	0.4
57.03335	2.8
59.01247	1.3
60.24358	0.3
66.86043	0.3
68.69868	0.3
69.03342	0.9
71.01246	1.0
71.55535	0.5
73.86404	0.3
74.63502	0.4
75.00755	0.4
79.25655	0.3
81.03346	2.7
83.01268	3.4
85.02831	1.4
89.02323	0.4
93.03342	2.0
95.01269	0.8
95.04916	3.4
97.02248	0.6
97.02847	6.6
99.04390	0.4
101.02348	0.6
107.04935	0.5
108.02041	1.0
109.02853	25.9
110.03182	0.6
113.02354	0.5
121.02861	3.3
122.03631	1.2
123.00848	0.6
123.04433	16.0
124.01575	0.6
124.04744	0.5
125.02366	18.2
126.02694	0.6
131.04895	0.4
135.02878	0.8
135.04446	2.3
137.02370	11.4
138.03123	0.7
139.03943	4.3
145.02861	1.2
146.03638	1.5
147.04416	0.7
149.02361	4.8
149.04439	0.5
150.03186	2.3
151.03955	9.6
157.06540	0.4
159.04428	2.6
160.05312	1.6
161.02374	1.4
161.06010	5.4
162.03128	1.6
163.04004	1.5
164.01086	4.1
165.01895	4.2
166.02563	0.6
167.03448	1.5
173.06032	0.9
174.03214	0.8
175.03949	2.5
175.07576	2.6
177.01929	0.5
177.05516	0.8
179.03452	6.4
184.05165	0.4
185.06009	1.0
186.06589	0.3
187.03970	5.2
188.04779	4.0
190.45163	0.3
199.05849	0.4
199.07608	0.8
201.05511	0.7
202.06343	2.1
203.03424	0.7
203.07117	14.1
204.07416	1.4
205.03085	0.5
205.05026	8.8
206.05402	0.8
212.04761	1.1
217.05086	0.4
217.08604	1.0
220.65585	0.3
221.08180	4.4
223.06111	0.7
227.07130	2.2
229.04962	0.5
230.05785	0.9
231.02913	0.6
245.08208	17.3
246.08563	1.2
247.06189	1.3
269.10333	0.5
271.06097	1.0
289.07230	100.0
290.07544	8.1
294.08774	0.4
305.06726	0.9
401.14679	2.7
425.09167	0.4
671.97870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35509	0.5
56.31234	0.5
57.03338	3.3
59.01257	5.1
61.68184	0.5
61.98704	0.6
63.02277	2.6
65.00208	3.9
69.03355	0.8
69.40086	4.5
71.01259	2.5
73.02830	1.0
81.03355	0.5
83.01270	4.7
83.04902	0.8
85.02821	1.3
89.02350	1.0
95.01295	1.6
96.95908	2.4
101.02344	1.7
107.01302	8.2
107.04948	0.7
109.02859	1.5
113.02335	1.0
119.04923	0.8
119.66006	0.5
121.02855	1.2
123.04445	1.1
124.01565	1.4
125.02356	24.6
126.02705	1.2
133.02844	0.5
135.02922	1.5
135.04457	2.4
137.02393	3.4
140.32407	0.5
145.02893	0.6
149.02412	0.7
151.00301	35.6
152.01106	4.2
152.07156	0.5
153.01836	0.9
161.02394	1.5
161.04518	0.5
163.00316	1.3
163.03865	1.0
164.01094	1.3
165.01875	2.1
167.03476	0.7
169.01347	6.0
173.06029	0.7
175.03955	1.2
177.01903	2.0
178.99811	40.2
179.03397	1.6
180.00105	1.4
187.03979	0.7
188.04703	0.9
189.01884	0.6
189.05602	0.6
191.03438	1.2
193.01385	9.4
193.05060	0.7
199.13443	0.7
201.05371	0.6
201.11188	0.8
203.03481	1.3
204.04184	0.6
205.01451	2.4
206.02026	0.6
207.02882	0.8
209.11766	3.9
210.12323	0.7
212.04663	0.7
217.11935	0.6
219.03004	2.9
227.03426	0.7
227.12848	1.8
231.13887	0.9
233.04593	1.6
240.04353	0.8
241.09926	0.7
242.60417	0.5
243.02931	0.9
254.05988	0.8
256.03769	1.0
257.04651	0.7
259.02359	0.9
267.13867	0.5
271.02539	1.6
273.04114	1.4
285.04160	2.8
285.15048	1.4
287.02084	0.8
289.07132	1.3
289.14621	0.6
300.02963	0.7
301.03589	0.5
301.14493	0.8
315.01532	1.2
316.02328	5.0
317.02597	1.0
329.13971	0.7
339.12302	0.8
340.05984	0.7
357.13589	1.5
379.04416	0.7
381.13815	0.7
383.14975	0.7
387.14612	1.1
391.04529	0.6
405.15652	2.0
409.12979	1.2
411.14557	1.8
421.16589	0.8
427.14050	12.5
428.14481	1.7
429.15497	2.9
430.16135	0.6
435.09903	0.7
437.16022	0.8
439.14047	1.5
440.35623	0.6
443.17297	0.7
447.14832	0.6
451.28928	0.7
455.17188	0.6
463.08795	1.8
465.15662	3.7
469.29614	2.3
483.16672	11.8
484.17133	1.6
487.30759	6.1
501.17767	100.0
502.18103	14.3
509.14453	2.6
510.27966	0.6
527.08246	0.6
527.15704	4.2
528.15900	0.6
543.19019	3.9
544.19189	0.5
631.34991	0.9
647.23615	8.2
648.23480	1.9
650.03156	0.6
659.24036	0.6
673.21429	17.7
674.21997	3.7
691.22614	2.9
691.35052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07499	0.8
55.01767	1.1
56.02019	0.7
57.03323	1.4
59.00991	1.3
59.01262	15.2
61.98721	6.6
69.03332	0.8
69.23766	6.3
69.24187	2.1
71.01266	10.7
72.99203	1.1
73.02840	2.3
78.95803	0.9
81.03332	1.1
83.01263	2.0
83.04906	5.3
84.02052	1.1
84.38798	0.8
85.02827	2.9
87.00764	1.2
89.02346	6.3
95.01268	1.1
95.04933	1.3
96.95913	1.8
97.06500	4.5
98.20574	1.8
101.02341	6.0
113.02341	3.1
115.03905	0.8
119.03389	2.3
125.02339	3.4
125.09671	0.9
135.08076	0.9
137.02353	3.3
143.03435	1.1
145.04967	1.0
151.00320	1.2
151.10048	1.1
151.11215	15.3
152.99599	0.8
161.04507	1.7
163.11191	2.3
165.01892	0.8
165.12814	2.1
169.12289	77.5
170.12584	3.4
171.10152	1.6
178.99724	0.9
179.05621	1.3
181.12221	0.8
195.10237	1.7
197.11708	1.2
197.29607	0.9
207.10254	1.1
209.11816	53.0
210.12112	3.6
211.13286	2.1
213.11307	10.5
223.17046	2.0
227.12845	3.4
235.08173	1.3
253.09343	4.6
275.20325	1.1
293.21268	9.0
391.04599	2.8
397.13440	2.8
415.14594	2.9
427.17456	0.9
431.18979	1.7
449.20364	4.0
485.32904	1.3
487.34430	24.5
487.41580	1.1
488.34518	3.7
527.05988	2.9
545.06860	1.1
641.32111	1.7
659.32977	100.0
660.33319	14.7
691.35846	9.7
692.35797	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	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03321	0.5
58.00465	0.8
59.01263	17.4
60.01572	0.2
61.98706	0.3
63.24603	0.1
69.03339	1.0
70.37257	0.1
71.01266	13.6
72.01604	0.2
72.99202	0.9
73.02829	2.2
75.00759	0.3
78.95784	0.2
81.03353	0.4
83.01276	1.3
83.04895	0.1
85.02843	2.6
87.00771	2.7
87.04421	0.2
89.02335	11.1
95.01295	1.1
95.04948	0.2
97.02847	1.9
97.06495	0.2
99.00773	1.0
99.04410	0.2
101.02344	9.6
102.02650	0.2
103.03929	0.2
109.02856	0.3
111.00806	0.3
111.04401	0.3
111.08047	0.3
113.02356	5.2
113.09636	0.4
119.03409	2.6
124.01523	0.2
125.02360	3.3
127.03922	0.2
129.01741	0.1
131.03430	0.9
133.05002	0.2
137.02380	0.3
139.03929	0.3
141.01828	0.2
141.09221	0.2
143.03418	1.8
149.04456	0.3
151.03955	0.1
161.04517	2.1
162.00061	0.1
167.03448	0.2
167.10712	0.3
177.12772	0.3
179.05574	2.4
179.10695	0.1
179.14372	1.0
181.12160	0.2
185.04568	0.2
195.13875	8.7
196.14401	0.9
197.15042	0.2
205.12280	0.7
205.15932	0.4
211.13365	0.6
217.07161	0.2
219.04939	0.1
221.06647	0.9
223.13380	6.2
224.13925	0.4
225.15033	0.4
228.13696	0.5
229.24414	0.1
231.21167	0.3
235.08243	3.1
245.06659	0.2
245.95387	0.2
249.22307	0.3
253.09331	1.1
256.13321	1.0
263.07742	0.5
265.21704	0.5
275.20203	4.7
276.20523	0.3
281.44751	0.1
287.07916	0.7
293.21280	100.0
294.21591	9.2
305.08856	0.9
323.09665	0.4
388.17749	0.1
397.13577	21.7
398.13950	1.3
415.14639	25.6
416.14893	1.9
564.85413	0.2
600.59583	0.2
654.27734	0.5
691.35632	0.7
692.36566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03338	0.6
58.00486	0.5
59.01266	15.9
61.98708	0.6
65.72660	0.2
65.83421	0.2
69.03335	0.9
71.01269	13.9
71.58215	0.4
72.01624	0.4
72.99198	1.3
73.02850	1.7
75.00761	0.4
78.95795	0.9
81.03346	0.5
83.01303	1.2
85.02837	3.0
87.00764	2.4
89.02336	10.2
95.01292	1.1
97.02837	2.1
97.06508	0.3
99.00779	0.9
101.02347	9.8
111.00833	0.3
111.04417	0.3
111.08080	0.3
113.02354	4.6
113.09624	0.5
114.31802	0.2
119.03409	2.6
125.02367	3.5
128.01111	0.2
131.03439	0.6
133.04948	0.3
137.02339	0.3
139.03954	0.3
143.03432	1.8
145.02925	0.3
149.04539	0.3
152.99524	0.6
161.04489	1.8
167.03374	0.2
171.10170	0.5
179.05576	3.1
179.14330	0.7
181.12386	0.2
185.04617	0.4
187.68144	0.2
195.13884	7.7
196.14406	0.5
205.12332	0.7
205.15947	0.4
207.10265	0.4
209.11868	1.2
211.13438	1.0
221.06677	0.8
223.13390	6.5
224.13963	0.3
225.15004	0.3
227.12868	0.3
228.13620	0.8
231.21275	0.3
235.08253	3.1
249.22194	0.3
253.09286	1.0
256.13208	0.8
263.07785	0.6
265.21796	0.5
275.20239	4.2
276.20743	0.3
286.42117	0.2
287.07883	0.6
291.19778	1.1
292.20056	0.7
293.21283	100.0
294.18234	0.4
294.21606	9.3
305.08850	1.0
323.09866	0.4
349.20074	0.2
383.28696	0.3
397.13589	23.9
398.13818	2.3
399.14206	0.3
415.14664	28.3
416.14957	2.3
445.20770	0.3
487.27859	0.4
487.34476	6.2
488.34616	0.6
527.06177	0.4
621.27979	0.3
654.27625	0.9
691.35815	1.8
692.35553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
58.00452	0.3
58.15826	0.2
59.01257	2.9
61.98710	0.7
65.00213	0.3
69.03347	0.4
70.15424	1.1
71.01263	2.7
71.02478	0.2
71.04903	0.3
73.02832	0.6
75.00763	0.4
78.95798	0.3
80.02561	0.8
81.03354	1.2
83.01275	0.8
83.04912	3.9
84.02038	0.8
85.02830	0.4
87.00762	0.5
89.02317	1.6
93.03355	0.3
95.01276	0.4
95.04910	0.6
96.95916	0.9
97.06493	0.2
101.02341	2.2
105.17391	0.2
107.01300	0.3
109.02817	0.3
109.06490	0.5
113.02365	1.5
115.03909	0.3
119.03458	0.5
119.04968	0.4
124.01534	0.3
125.02379	1.4
125.06001	0.5
125.09649	1.0
127.11195	1.0
134.06093	0.3
135.02916	0.6
135.04433	0.9
135.08101	0.5
137.02402	0.8
138.05536	0.5
144.40088	0.3
150.03131	0.3
151.00258	1.5
151.03899	0.3
155.10707	0.5
155.43062	0.2
161.02419	0.3
161.04442	1.0
163.03853	0.2
163.11235	3.5
165.01917	0.5
165.05537	0.4
165.09097	0.3
165.12814	1.9
171.04543	0.3
171.10217	1.8
172.10643	0.3
177.01889	0.5
178.99825	1.1
179.03484	0.7
179.05620	0.3
181.12271	0.6
183.10181	0.3
185.11836	0.3
191.10747	0.9
199.04030	0.4
199.09756	0.4
201.11298	21.8
202.11604	1.3
203.03551	0.3
207.10353	0.4
209.11813	100.0
210.12149	6.0
215.03404	0.4
225.11368	0.6
226.11546	0.3
227.12891	15.1
228.13281	1.2
235.08221	2.8
237.10530	0.3
243.03035	0.6
243.11507	0.4
247.13409	0.4
251.12102	0.4
253.09312	8.3
259.02399	0.6
264.08978	0.6
270.01828	0.2
271.02408	1.4
279.11404	1.2
281.08740	0.3
287.01959	1.0
295.11179	0.3
299.02008	1.4
300.02640	0.6
315.01517	3.1
316.02216	2.2
317.02737	0.8
341.11429	0.3
375.21719	0.6
389.91483	0.3
391.04694	0.5
405.18753	0.2
419.19464	0.4
437.20346	1.2
445.07916	1.4
445.20758	2.9
446.08163	0.4
446.21237	0.4
461.07324	0.7
462.08261	2.8
463.08618	1.0
463.21960	0.4
469.29913	0.5
479.08090	0.4
480.08206	0.4
483.16641	0.5
485.29266	0.4
487.30289	2.2
488.31372	0.4
527.06219	0.3
637.32092	0.5
641.22186	0.6
659.23999	1.2
673.21851	0.9
691.23596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.2
58.00484	1.3
59.01263	12.0
65.00208	0.5
67.77793	0.2
68.99686	0.4
69.03336	0.3
70.13028	0.2
71.01266	6.0
71.04905	2.2
72.99198	0.3
73.02832	13.6
75.00774	0.3
83.01278	3.2
83.04932	0.3
85.02838	0.4
97.02821	0.3
98.20612	0.4
101.02341	9.0
107.01308	1.1
113.02350	0.8
124.01509	0.4
125.02357	0.8
131.03409	0.7
135.08083	0.3
137.02377	0.3
143.03387	0.3
151.00299	4.3
152.01105	0.5
155.03413	0.3
161.04494	0.6
163.00282	0.2
169.01387	0.6
175.11247	0.6
178.70732	0.2
178.99818	4.1
193.01501	0.3
199.58522	0.2
203.05678	0.5
229.57057	0.3
271.02631	0.3
316.02188	1.3
323.23889	0.4
357.13275	0.5
375.26920	0.7
377.28546	1.8
378.29248	0.3
379.30283	0.4
389.28574	0.3
393.28070	0.4
395.29556	0.8
397.31586	0.3
405.27811	1.1
407.29749	2.0
409.27588	5.2
410.27863	0.8
421.27725	0.4
423.29236	1.5
425.30698	0.9
439.28680	1.3
451.28613	10.0
452.29062	1.3
457.29758	0.9
465.30051	0.8
466.30222	0.4
469.29657	100.0
470.30011	14.4
483.31229	8.4
484.31516	1.3
487.30743	12.2
488.30960	1.5
499.30844	1.9
500.30920	0.3
501.32382	0.6
509.14670	0.7
511.30780	3.6
512.30725	0.5
517.31970	0.4
527.15576	1.0
529.31732	0.6
553.31970	0.3
648.26569	0.3
673.21497	5.7
673.35931	0.7
674.21844	1.5
691.36902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.2
58.00484	1.3
59.01263	12.0
65.00208	0.5
67.77793	0.2
68.99686	0.4
69.03336	0.3
70.13028	0.2
71.01266	6.0
71.04905	2.2
72.99198	0.3
73.02832	13.6
75.00774	0.3
83.01278	3.2
83.04932	0.3
85.02838	0.4
97.02821	0.3
98.20612	0.4
101.02341	9.0
107.01308	1.1
113.02350	0.8
124.01509	0.4
125.02357	0.8
131.03409	0.7
135.08083	0.3
137.02377	0.3
143.03387	0.3
151.00299	4.3
152.01105	0.5
155.03413	0.3
161.04494	0.6
163.00282	0.2
169.01387	0.6
175.11247	0.6
178.70732	0.2
178.99818	4.1
193.01501	0.3
199.58522	0.2
203.05678	0.5
229.57057	0.3
271.02631	0.3
316.02188	1.3
323.23889	0.4
357.13275	0.5
375.26920	0.7
377.28546	1.8
378.29248	0.3
379.30283	0.4
389.28574	0.3
393.28070	0.4
395.29556	0.8
397.31586	0.3
405.27811	1.1
407.29749	2.0
409.27588	5.2
410.27863	0.8
421.27725	0.4
423.29236	1.5
425.30698	0.9
439.28680	1.3
451.28613	10.0
452.29062	1.3
457.29758	0.9
465.30051	0.8
466.30222	0.4
469.29657	100.0
470.30011	14.4
483.31229	8.4
484.31516	1.3
487.30743	12.2
488.30960	1.5
499.30844	1.9
500.30920	0.3
501.32382	0.6
509.14670	0.7
511.30780	3.6
512.30725	0.5
517.31970	0.4
527.15576	1.0
529.31732	0.6
553.31970	0.3
648.26569	0.3
673.21497	5.7
673.35931	0.7
674.21844	1.5
691.36902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85364	0.5
59.01262	0.8
59.67522	0.7
60.09545	0.5
61.06529	0.6
65.34971	0.6
71.02932	0.6
71.42337	0.7
78.95793	37.7
79.14622	0.6
80.02578	1.7
81.03365	2.2
83.04919	6.4
84.02066	0.6
87.14151	0.6
87.44697	0.7
95.04927	0.8
96.96864	2.7
135.08095	1.6
137.67468	0.5
152.99525	53.8
153.99831	0.6
163.11227	6.1
165.12814	4.1
171.00610	4.7
183.01604	0.6
191.10776	1.7
209.11818	100.0
210.12138	5.6
227.03252	4.7
227.12912	8.2
228.13263	1.1
245.04356	1.7
253.21790	18.6
254.21980	1.3
277.21826	0.8
301.69504	0.7
304.53323	0.6
349.12643	0.6
363.12274	7.1
437.15952	5.7
455.16953	78.8
456.17389	6.9
691.38403	74.3
692.38702	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	691.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.9
61.68309	0.1
61.98729	0.2
71.01282	0.5
71.15789	0.2
73.02832	0.2
78.95754	0.1
79.52879	0.1
101.02345	0.2
113.02360	0.1
125.02311	0.1
137.02425	0.1
144.83105	0.1
169.12276	0.1
171.10150	0.1
209.11830	0.3
291.19791	0.2
292.20026	0.2
293.20615	0.1
318.54010	0.1
399.13947	0.2
402.48676	0.1
485.32800	1.8
486.33304	0.3
487.34366	100.0
488.34711	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.1
57.81984	0.1
59.00996	0.1
59.01262	1.8
61.98708	0.4
63.97805	0.1
69.03304	0.1
69.44138	0.9
70.35845	0.1
71.01263	1.0
73.02825	0.8
78.95826	0.1
80.96394	0.1
83.01283	0.2
85.02850	0.2
89.02358	0.1
101.02352	0.8
108.89394	0.1
113.02343	0.4
121.63871	0.1
125.02329	0.4
132.49629	0.1
137.02301	0.2
143.03461	0.1
161.04379	0.2
165.01828	0.1
169.12256	0.4
171.10159	0.2
178.99701	0.1
182.43933	0.1
203.05573	0.3
209.11754	0.5
211.13274	0.1
213.11217	0.1
266.30457	0.1
293.21384	0.2
353.20660	0.1
407.29547	0.1
473.33420	0.1
487.34375	100.0
488.34729	16.8
501.35849	0.2
529.35358	0.4
545.07263	0.1
659.32825	0.5
660.33203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68866	0.1
59.01266	0.7
61.98711	0.2
63.12183	0.1
69.44035	1.1
71.01269	0.3
71.04905	1.0
73.02853	0.2
75.84445	0.1
83.03591	0.1
83.04893	0.3
88.37900	0.1
89.63866	0.1
92.05222	0.1
96.95907	1.7
101.02339	0.2
109.58577	0.1
125.02374	0.2
137.02362	0.2
151.00304	0.3
178.99815	0.5
183.13760	0.1
207.10483	0.1
209.11836	0.3
211.13335	0.2
215.03427	0.1
271.02493	0.3
287.02014	0.4
291.61618	0.1
315.01480	1.0
316.02170	0.6
317.02789	0.2
371.29510	0.2
373.58002	0.2
379.04575	0.2
389.28845	0.2
391.05057	0.1
391.30093	0.2
405.31662	0.3
407.33163	1.2
423.32385	0.6
425.34454	1.1
426.34744	0.2
427.32288	1.0
437.30792	0.2
439.32349	0.5
443.35501	0.6
457.33731	0.2
461.07413	0.3
462.08261	1.0
463.08081	0.2
469.33313	10.4
470.33655	1.8
487.34366	100.0
488.34729	17.0
499.31009	0.2
513.32208	0.5
527.06256	0.2
637.32416	0.2
673.20850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17085	1.8
59.01267	18.6
61.98719	7.1
71.01275	5.9
71.57778	3.2
78.95811	6.6
81.85467	1.8
83.02404	1.8
83.04934	2.1
85.02815	2.2
87.00779	2.5
89.02339	5.9
96.95923	6.4
101.02382	4.5
113.02390	2.1
125.02325	2.7
136.84932	1.8
137.02364	4.0
139.39703	1.8
143.03305	1.8
149.02353	1.9
171.10172	3.5
183.13882	5.2
195.13882	2.1
204.40175	1.9
209.11826	62.8
210.12155	3.6
211.13394	100.0
212.13705	6.0
215.83482	2.0
223.78510	1.8
227.12917	19.9
235.08301	6.2
251.65160	2.0
253.09245	6.3
277.21405	3.6
295.22894	19.8
296.23132	2.9
339.90457	2.0
346.55679	2.1
395.16794	2.0
397.13602	6.2
415.14560	7.5
445.20673	3.9
447.22552	14.9
621.32953	2.4
639.33844	4.9
657.34161	2.5
693.32562	43.1
694.32483	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	693.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25207	0.2
59.01266	1.8
60.99179	0.2
61.98712	0.2
69.03318	0.3
69.38614	1.5
70.59261	0.2
71.01269	0.6
71.04899	0.4
72.99195	0.2
73.02824	0.5
73.91991	0.2
75.00758	0.5
79.43797	0.2
80.83887	0.2
83.04890	0.2
85.02837	0.3
89.02332	0.2
96.95921	0.4
101.02328	0.5
113.02378	0.2
125.02357	0.6
135.02892	0.9
135.04414	0.3
137.02356	0.2
137.15796	0.1
149.25740	0.1
161.75186	0.2
163.03934	0.3
165.01888	0.2
167.03461	0.2
175.02718	0.2
177.01837	0.2
179.03369	0.2
179.69879	0.2
193.35881	0.2
195.86102	0.2
199.13373	0.2
209.11758	0.8
210.12154	0.4
211.12267	0.2
227.03523	0.2
227.12897	0.2
269.55151	0.2
317.02643	0.2
347.23758	0.2
363.27078	0.2
365.28445	0.4
367.30103	0.5
373.25818	0.3
377.28491	0.6
379.30154	0.6
389.28384	0.6
393.28094	0.6
395.25357	0.3
395.29727	2.2
396.30096	0.3
397.31232	0.4
405.28223	0.8
407.29623	5.1
408.29947	1.0
411.28809	0.4
423.28934	0.4
425.30902	0.8
427.32217	3.1
428.32434	0.5
429.29999	0.5
439.28635	2.3
441.30191	0.4
443.31750	2.3
445.33112	0.5
453.30197	0.3
459.31192	1.8
459.37006	0.2
471.31271	7.3
472.31519	1.0
487.30569	0.9
489.32288	100.0
490.32629	14.6
531.33386	0.4
589.33716	0.5
693.35059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88235	0.3
56.90280	0.3
57.03318	0.6
59.01260	4.9
61.98709	0.6
65.00220	0.5
69.03344	0.7
70.15180	0.3
71.01267	2.4
71.56237	0.4
71.56609	0.4
72.99186	0.3
73.02821	1.0
80.03711	0.3
80.54877	0.4
83.01281	0.7
83.04907	0.6
85.02849	1.0
89.02331	1.1
93.03375	0.7
95.04951	0.3
96.95927	1.8
97.02821	0.5
99.00817	0.4
101.02348	1.4
103.65170	0.4
107.01288	0.7
109.02888	0.8
113.02316	0.8
114.60426	0.3
116.92770	1.3
117.01846	0.3
117.22783	0.4
119.04938	12.9
120.05265	0.6
125.02393	1.5
135.02917	1.2
135.04440	1.2
137.02362	0.7
145.02882	0.5
149.02477	0.4
151.00281	1.6
151.03952	0.5
152.00851	0.4
163.03957	10.1
164.04366	0.6
165.05515	0.5
167.03534	0.3
169.01395	0.4
178.99841	1.5
179.03467	0.7
179.10744	0.5
180.00150	1.0
205.05202	0.5
209.11867	3.1
227.12926	1.7
315.01233	0.5
316.01999	0.6
317.02469	0.3
343.24371	0.6
345.26016	0.5
363.26788	0.4
367.14160	0.5
375.27048	1.1
377.28647	0.9
379.30225	0.9
391.29858	0.4
393.28174	4.4
394.28146	0.6
395.29599	1.7
404.49405	0.4
405.27646	0.5
407.29688	0.9
409.31165	0.6
423.29288	0.6
425.30087	0.4
427.32339	1.3
437.03030	0.3
439.28683	0.8
443.31622	2.7
445.33286	0.6
447.19955	0.4
459.31390	0.4
471.31238	2.0
487.19830	1.0
489.32303	100.0
490.32635	12.7
511.15244	0.4
513.28766	0.5
529.16522	0.5
531.18616	2.5
532.19238	0.7
675.22137	3.9
693.23444	0.6
693.34100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	100.0
60.01595	0.7
61.98715	1.2
65.37656	0.3
71.01263	1.3
71.56673	0.4
72.99200	0.3
73.02833	1.2
73.31197	0.4
78.95807	0.4
80.75438	0.3
81.59965	0.3
82.59942	0.3
83.01279	0.6
85.02848	1.0
87.00744	0.3
89.02342	1.0
89.22279	0.4
93.49348	0.3
96.95924	1.1
99.00828	0.3
99.04424	0.8
101.02370	0.9
109.02829	0.4
113.02415	0.5
119.04893	0.3
121.02854	2.0
125.02402	0.5
125.61447	0.3
127.03944	0.5
135.02896	0.3
137.02394	0.5
152.99530	0.6
161.02435	0.4
161.04556	0.5
165.01912	1.7
171.10164	0.6
177.01930	0.4
209.11790	0.6
211.13400	0.9
276.20370	0.4
293.21265	0.4
294.21530	0.6
295.22089	0.7
397.13361	0.6
398.13977	0.5
399.14334	0.5
416.14957	0.4
435.33102	0.5
471.34695	0.7
487.34369	66.1
488.34680	9.7
501.36124	0.9
529.35034	2.2
530.35907	0.4
568.68317	0.3
573.35370	0.4
581.48254	0.4
693.43793	1.6
694.43311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77490	0.5
59.01265	100.0
60.01597	1.0
60.17199	0.4
61.47037	0.5
61.98721	1.1
62.64810	0.5
68.79899	0.5
70.22428	0.5
71.58327	0.6
75.46611	0.6
78.95794	8.4
80.96416	1.0
81.61938	0.5
122.58334	0.5
138.06360	0.7
147.28172	0.5
168.77293	0.6
225.08018	0.5
447.12958	0.9
545.71002	0.5
577.70984	0.6
653.30560	0.6
695.31055	39.0
696.31427	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90779	0.1
51.08325	0.1
61.46637	0.1
61.98716	100.0
62.98421	0.1
72.43514	0.1
78.95811	0.2
94.12731	0.1
115.94341	0.1
125.66230	0.1
128.82401	0.1
145.02931	0.3
148.41171	0.1
152.17863	0.1
168.37836	0.1
179.86385	0.1
212.87103	0.1
283.23218	0.1
319.63901	0.2
346.99576	0.1
397.13327	0.1
443.61963	0.1
472.78494	0.1
633.38568	0.6
634.38428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27735	0.2
61.98717	100.0
69.35989	1.5
91.44536	0.2
119.73713	0.2
127.07648	0.2
135.72737	0.2
153.09137	0.3
171.10274	0.4
179.96146	0.2
185.11827	0.4
197.11714	0.2
209.11746	1.3
289.18149	1.4
307.19229	4.8
307.22598	0.3
308.19632	0.4
325.20294	4.4
325.24158	0.2
326.20593	0.3
434.96448	0.2
552.94757	0.2
556.91901	0.2
615.39703	0.2
633.40533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02433	0.5
60.99184	1.9
63.02274	0.6
65.00201	1.6
69.50697	2.2
69.51108	1.6
72.22323	0.4
77.49020	0.5
79.96039	0.5
83.01276	1.4
88.98695	7.2
99.89941	0.5
107.01299	2.3
108.02016	1.1
109.02859	1.5
119.98187	0.5
121.02857	1.5
123.00784	0.8
125.02338	0.7
135.02934	0.5
137.02339	0.7
139.00302	0.5
148.01642	0.5
151.00310	9.2
152.00760	0.7
153.01842	0.7
163.00282	1.9
163.03815	0.6
164.01170	0.6
165.01668	0.6
169.01468	0.8
175.03981	1.0
178.99808	5.1
180.03134	0.6
192.00670	0.5
211.03923	0.6
227.03476	2.1
243.03023	6.9
245.04523	1.2
254.02226	2.1
255.03024	18.3
256.03506	1.1
271.02524	37.0
272.02942	3.5
273.04132	1.3
283.02451	1.1
299.01981	1.5
300.02802	72.9
301.03522	30.4
302.03873	1.7
373.04407	0.6
447.09302	0.9
518.13367	0.6
532.45532	0.6
609.14722	100.0
610.15027	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	699.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.3
71.57478	2.1
72.99191	2.2
75.00753	17.3
83.47677	1.5
89.02325	4.0
89.18285	1.7
112.66802	1.5
115.75966	1.4
117.01841	1.5
125.02370	2.3
135.02916	100.0
135.04388	10.6
161.02367	3.8
167.03342	1.8
179.03502	7.6
297.03076	2.6
297.06226	31.3
298.06351	2.1
401.10950	3.4
455.31497	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	701.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89399	1.2
55.43538	1.6
57.07567	1.1
58.00464	1.8
59.01264	40.3
63.44449	1.1
66.78536	1.3
71.01268	38.1
72.99200	2.4
73.02852	6.0
73.62521	1.1
75.00758	1.9
82.20652	1.3
83.01253	1.9
85.02840	9.2
87.00774	13.2
89.02332	53.8
97.02826	3.4
98.20574	2.8
101.02345	38.6
113.02350	22.4
119.03397	11.3
120.00935	1.2
123.00829	2.2
123.04443	1.7
125.02380	4.7
131.03413	2.5
135.04424	8.5
138.03230	1.2
143.03435	9.4
149.04497	1.3
153.05528	1.7
161.04439	8.8
179.03914	1.6
179.05556	33.4
180.05807	1.2
182.02138	3.8
197.04530	8.3
203.05588	4.4
213.98068	1.3
221.06644	11.4
221.83913	1.1
235.08421	1.3
263.07629	1.6
281.08823	1.8
297.38895	1.2
341.10983	22.2
359.10025	6.1
383.11996	51.5
384.12506	2.8
438.25708	1.5
443.14243	10.7
485.15265	8.1
503.16177	5.0
539.14264	6.8
665.21558	100.0
666.21759	12.0
701.19281	47.4
702.19684	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	701.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60210	0.3
57.69260	0.3
59.01264	100.0
59.70993	0.3
60.01615	1.0
60.76771	0.3
64.40907	0.3
66.04297	0.3
71.15626	0.4
71.15963	0.6
100.42242	0.4
138.74219	0.3
158.40929	0.3
167.43532	0.4
169.43991	0.3
188.54333	0.3
236.36049	0.3
283.20135	0.3
323.98441	0.4
437.12463	0.9
438.13489	3.8
439.13776	0.7
451.14191	0.7
452.15045	2.0
453.15671	0.7
455.10373	0.4
466.12952	0.4
467.13620	0.7
470.12021	0.5
480.14600	1.1
481.15277	32.2
482.15610	7.5
495.16904	12.4
496.17377	3.1
497.18533	5.4
498.18729	1.2
514.14984	2.3
515.15759	0.6
523.16150	0.7
525.14386	1.0
526.14960	0.5
528.16956	0.7
535.15765	0.4
539.16150	1.8
540.16620	8.3
541.16870	1.4
553.17682	0.9
554.18274	2.5
555.18976	54.4
556.19159	11.6
567.19263	0.8
572.15637	15.2
573.15881	3.5
586.17126	5.5
587.17169	0.9
609.19873	1.4
627.21228	1.6
641.22699	28.4
642.22931	6.9
701.24811	72.7
702.25055	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	701.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65342	0.4
59.01263	100.0
61.98708	0.7
62.71614	0.4
67.51013	0.4
69.93721	2.2
74.32724	0.4
89.45112	0.4
117.53242	0.5
235.49582	0.4
236.26093	0.4
255.23309	0.5
327.30597	0.4
437.12460	0.8
438.13443	5.3
439.13742	0.7
451.14221	0.6
452.14777	1.5
453.15533	0.8
455.09909	1.0
470.12100	1.0
479.13452	0.5
481.15289	42.0
482.15640	8.6
495.16833	10.5
496.17221	3.0
497.18546	4.1
498.18796	0.7
509.18927	0.7
511.16971	0.5
514.15015	2.6
523.16437	0.4
525.14532	1.8
528.16431	0.5
539.16083	2.0
540.16547	10.4
541.17065	1.7
553.17645	0.9
554.18481	1.9
555.18951	59.1
556.19171	10.8
567.19153	2.8
568.19476	0.9
569.20514	1.6
572.15613	20.2
573.15875	4.1
586.17151	5.2
587.17169	1.2
599.21686	1.0
600.19452	1.2
609.20306	1.1
626.20197	0.5
627.21185	1.5
641.22681	28.4
642.22961	7.2
658.19470	1.2
701.24799	62.0
702.25079	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	701.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99809	15.2
57.59938	17.3
59.01260	23.7
61.98709	60.6
73.95751	16.0
78.95801	34.0
89.68622	15.2
98.19728	26.9
101.54640	16.3
113.23732	17.1
137.96144	14.5
171.10214	34.4
202.76689	17.7
205.12196	19.4
211.13396	50.0
223.13408	98.2
269.43353	17.6
311.22318	15.6
459.23029	18.3
585.49127	18.3
701.32703	100.0
702.33380	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50146	0.3
59.01254	2.4
61.98708	2.3
63.94329	0.4
71.01261	1.8
71.30151	0.9
72.99197	0.4
73.02799	0.8
75.00735	0.8
81.32987	0.4
81.70535	0.4
83.04894	0.4
85.02831	0.7
87.00767	0.6
89.02315	1.3
96.95874	1.4
101.02305	1.4
109.02827	0.8
113.02309	0.9
118.97886	0.4
119.03379	0.6
119.04911	1.0
123.04411	0.3
123.06110	0.4
125.02325	1.5
135.02858	1.7
135.04420	1.0
137.02327	1.0
150.03116	0.4
151.00226	0.6
151.03949	0.5
152.01031	0.6
161.02321	0.6
163.03909	1.3
165.01857	0.6
165.05513	0.7
167.03397	0.6
173.08000	0.4
175.03856	0.5
178.99734	0.6
179.03314	0.6
181.05020	0.7
193.04616	0.4
195.06549	0.7
197.02185	8.6
203.96214	0.4
211.13341	0.8
219.02995	0.6
234.05318	0.8
249.07724	0.6
271.01941	0.5
279.08759	0.8
289.07144	0.5
359.06000	0.4
389.29065	0.5
397.13574	0.8
407.29636	1.0
419.29269	0.5
485.32803	6.2
486.33325	0.6
497.29102	1.0
501.32318	0.6
502.34583	0.5
503.33881	100.0
504.34210	14.5
519.32672	0.4
521.33801	0.6
525.41943	0.5
701.36957	31.9
702.37189	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	701.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.7
61.98715	27.9
69.03334	0.4
71.01273	1.0
71.56705	0.5
73.29494	0.3
75.00747	0.5
78.95787	0.6
83.01276	0.6
96.95922	1.6
123.72640	0.4
125.02342	0.4
135.02901	1.1
145.02924	0.5
167.10725	0.5
167.14307	0.4
171.10179	0.8
183.13863	5.2
184.14159	0.5
193.12286	1.4
209.11865	2.2
211.13379	100.0
212.13716	6.0
237.14970	1.3
315.01538	0.6
316.01971	0.6
405.81836	0.4
462.07816	0.5
489.32376	1.4
490.31976	0.4
623.33691	0.5
700.76996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.6
59.01262	20.2
59.37706	2.0
61.98718	7.4
63.02278	5.0
65.00206	8.7
66.45964	2.3
71.01263	8.6
72.99203	2.6
83.01266	7.8
85.02838	2.9
87.00776	2.9
89.02353	3.2
96.95886	8.4
97.02878	2.9
98.20550	6.0
101.02334	7.5
107.01283	13.0
109.13477	2.4
111.00810	2.4
115.60032	2.2
121.02881	4.6
124.01563	4.1
125.02380	22.7
135.02844	2.7
137.02356	17.1
139.03951	3.4
146.03574	2.7
149.02443	2.4
151.00302	40.7
152.01033	6.7
153.01854	2.1
159.04410	2.9
161.02356	5.0
163.00266	2.3
165.01878	5.1
169.01416	6.0
174.01613	5.2
175.02428	3.1
177.01802	3.1
178.99843	31.9
179.05577	2.6
187.03990	3.2
191.03464	3.0
192.00595	4.8
193.01379	33.4
203.03468	7.5
205.01299	2.8
207.03026	2.7
207.10165	2.8
209.11810	9.2
217.01474	3.8
225.11345	4.9
229.01541	3.3
229.19696	2.6
229.22182	2.3
231.03151	4.0
231.13919	2.4
233.01039	6.0
240.04311	2.4
243.02878	2.3
245.00897	2.9
245.08250	2.6
259.02499	22.3
266.06140	3.0
269.01038	3.2
269.04510	2.3
277.03488	11.3
279.12506	4.5
285.00357	9.7
287.02164	4.8
289.07184	3.1
291.05356	2.4
293.21307	5.1
295.02557	3.1
298.01349	4.7
300.02625	2.9
303.12109	2.6
308.83292	2.3
309.04001	3.0
311.02124	12.4
313.00012	22.9
314.00528	3.0
321.04071	2.9
322.04813	6.3
324.02814	10.6
335.05566	2.7
335.22546	2.6
337.03519	6.7
339.01443	5.1
340.02286	3.5
345.02545	10.3
349.03525	3.6
363.14731	4.0
393.08423	4.3
399.03763	3.6
407.15042	3.0
411.14832	4.3
425.16467	2.5
427.13965	6.9
437.11804	2.6
441.15573	3.3
445.55719	2.3
451.14090	23.7
451.28629	7.2
452.14590	4.4
453.15619	6.3
455.13629	6.5
461.20132	3.1
463.13959	13.0
467.13242	3.3
469.15030	5.5
479.13599	16.7
481.15259	39.0
482.15479	5.2
485.18289	6.0
489.12045	2.8
491.08353	21.0
492.08710	2.7
499.30743	100.0
500.31268	5.3
507.13028	73.8
507.20389	4.0
508.13458	10.6
511.16193	4.8
513.17755	4.9
521.14563	5.5
525.14160	31.0
526.14417	5.9
529.17340	5.6
539.15594	41.6
540.16071	5.9
557.16614	27.1
653.18665	4.9
671.19873	7.8
684.27197	2.7
685.21417	32.2
686.21631	7.5
703.22327	55.8
703.33661	4.7
704.22949	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	703.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82435	1.8
57.03328	2.7
59.01262	14.8
61.98725	9.0
62.54365	1.8
63.02271	3.3
65.00208	10.1
68.99718	2.8
70.42274	2.2
71.01282	10.6
71.01623	1.8
71.05923	5.4
75.00751	2.6
80.02550	2.0
80.96444	2.8
81.34587	1.8
83.01296	8.0
87.00775	2.2
89.02344	4.7
93.03368	4.7
95.01299	3.8
96.95915	8.9
99.13985	1.9
101.02345	3.9
107.01296	12.4
109.02891	2.2
112.98724	3.1
113.02351	2.6
121.02939	2.7
124.01595	4.1
125.02349	24.6
135.02879	3.7
135.04425	2.3
137.02380	13.3
145.02872	2.6
149.02391	2.0
151.00308	45.6
152.01077	8.5
159.04489	3.8
161.02327	2.8
163.00356	2.7
163.03833	2.4
165.01915	7.0
167.03456	3.1
169.01379	4.7
174.01669	5.0
174.03149	2.5
177.01848	2.5
178.99846	32.1
179.03372	4.9
191.03429	2.4
192.00607	2.3
193.01390	39.2
197.02582	1.8
201.02000	2.8
202.02786	2.1
203.03464	8.2
205.01440	3.1
207.02934	2.8
209.11816	8.4
211.13409	2.3
215.03490	2.0
217.01459	5.7
219.02986	2.3
225.11328	2.8
231.02898	2.6
233.00972	4.9
240.04384	3.7
243.02965	2.6
243.13948	3.4
245.00955	6.5
248.79811	2.2
253.09337	3.4
259.02512	28.4
271.02560	4.6
274.37506	2.1
277.03589	14.4
279.12347	7.8
285.00522	10.8
287.02011	4.9
291.05243	5.6
293.04669	2.3
293.21332	4.2
295.02518	4.2
298.01431	4.4
309.04062	4.2
311.02139	7.6
313.00055	25.4
314.00439	4.5
315.01474	4.1
321.04172	6.5
322.04852	6.7
324.02869	14.7
335.05634	4.5
337.03687	8.2
339.01563	2.6
340.02267	4.2
345.02582	14.1
349.03403	5.5
356.01797	2.4
363.14484	6.0
368.01645	2.6
383.14987	3.3
425.16824	3.5
427.14307	5.1
435.14670	3.6
441.15588	2.5
451.14047	36.4
451.28610	7.2
452.14444	2.9
453.15689	8.1
455.13528	4.3
461.12558	5.1
463.14014	16.4
469.14923	3.1
479.13452	19.6
481.15201	53.0
482.15683	5.3
485.18320	4.7
491.08514	19.7
492.08783	4.1
495.16751	3.8
499.30771	76.3
500.30917	8.2
507.13022	100.0
508.13406	14.5
511.16263	5.9
513.17627	5.0
525.14209	27.7
526.14441	5.0
529.17041	7.9
539.15607	47.7
540.16101	8.6
557.16797	24.4
558.16840	3.0
597.29053	3.1
607.27594	2.6
653.18817	7.5
671.19751	3.7
685.21399	60.5
686.21979	13.3
703.22498	45.6
703.33807	5.1
704.22852	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	703.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
59.01269	3.4
61.98712	6.5
63.02290	2.1
65.00198	3.1
67.39632	0.6
70.50661	0.6
70.51011	2.2
70.59868	0.6
70.71001	0.6
71.01270	2.1
83.01277	3.3
85.02849	1.1
89.02332	1.0
95.01270	1.2
96.95905	2.1
101.02350	1.2
107.01299	3.0
109.02869	1.6
113.02345	0.7
121.02844	0.6
123.02065	0.6
123.04476	0.8
124.01560	1.7
125.02359	10.6
127.11073	0.5
127.96029	0.5
133.16640	0.5
135.02913	1.2
135.04466	1.1
137.02403	4.5
139.03902	0.6
139.11183	2.1
139.33437	0.6
149.02348	1.1
151.00301	12.6
152.01103	5.1
157.12267	1.3
161.02298	1.1
165.01859	1.8
167.03503	0.6
167.10741	1.2
168.38100	0.7
169.01401	2.1
171.04280	0.6
171.10197	0.7
177.01868	1.4
178.99809	9.1
179.03510	0.9
185.11790	35.9
186.12105	1.2
192.00595	1.4
193.01381	11.0
209.11885	0.7
211.04001	3.0
228.04401	0.7
229.10815	100.0
230.11168	4.0
239.03497	38.8
240.03854	2.4
253.05275	1.2
266.05795	0.8
267.03119	1.6
267.06577	0.8
269.04562	1.8
271.02530	0.9
279.06558	0.6
281.15576	0.9
289.07272	0.8
295.02536	28.2
295.05786	1.2
296.03116	2.0
296.07132	0.9
297.04083	2.2
297.07251	0.8
298.04773	0.9
309.04132	1.3
311.01953	1.2
323.05789	1.0
323.16507	1.6
324.06467	2.1
326.04376	18.9
327.05112	9.3
328.05563	0.9
339.07190	1.8
341.17535	1.8
357.16922	0.9
391.15640	10.5
392.16553	0.9
407.15005	3.3
409.16660	4.4
410.16882	1.1
425.16119	16.1
426.16556	1.7
435.14453	1.7
451.14209	1.5
453.15640	59.5
454.16016	7.2
467.17569	2.8
473.10977	70.3
474.11282	7.1
481.15137	0.9
485.18280	26.7
486.18686	3.1
487.31482	0.9
495.16727	2.9
499.31039	1.3
507.12744	1.2
525.13995	1.3
557.17041	2.1
599.21356	3.8
631.23993	13.8
632.24628	2.4
667.39099	5.1
703.22968	2.2
703.36115	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	703.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.4
58.14980	0.8
59.01263	7.2
61.98714	5.9
63.02285	2.5
63.92659	0.9
65.00214	5.4
69.38342	7.5
71.01266	3.5
73.02840	1.0
75.00758	1.1
78.95783	1.0
83.01281	4.7
85.02827	1.1
89.02354	1.4
89.98087	0.9
93.03355	2.5
95.01296	2.1
96.95937	3.9
97.02905	1.0
101.02360	1.8
107.01293	6.5
109.02856	2.1
113.02364	1.3
113.55682	0.9
119.03340	1.2
119.04942	1.4
121.02901	3.6
123.00884	1.0
124.01578	4.0
125.02361	14.2
135.02921	2.5
135.04492	2.3
137.02390	7.8
139.00246	1.1
139.11230	2.8
149.02370	1.9
151.00305	19.8
151.03922	1.5
152.01146	6.4
157.12286	1.5
163.00406	1.3
163.03990	1.1
165.01903	3.2
169.01389	2.2
177.01903	1.4
178.99806	14.6
179.03375	1.1
180.24864	0.8
183.10295	1.1
185.11798	39.4
185.13464	1.9
186.12099	2.1
192.00729	1.4
193.01392	16.9
195.04527	1.3
204.15926	0.9
204.45808	0.8
205.01462	1.5
209.11804	2.3
211.04002	3.5
215.07014	1.2
229.10818	94.4
230.11198	3.9
231.03030	1.4
239.03516	44.0
240.03918	2.4
248.82532	0.9
251.03633	1.0
253.05095	1.3
259.02530	3.5
265.10892	1.4
267.03165	1.3
267.06790	1.6
269.04565	2.4
271.02365	1.6
279.12445	1.5
281.15546	1.4
282.05307	1.3
283.02484	1.3
289.07016	1.3
295.02545	41.9
295.05798	1.9
295.16931	1.0
296.03052	5.4
296.06561	1.6
297.04059	2.7
297.07422	1.3
298.04761	1.9
301.14487	1.1
309.04080	3.7
311.02054	3.8
312.99884	2.8
323.05627	2.5
323.16553	1.9
324.02798	1.6
324.06448	1.6
326.04346	18.2
327.05078	10.8
339.07294	3.9
341.17694	4.0
348.02722	1.8
365.17670	1.7
374.04504	1.7
391.15567	14.0
392.16089	1.2
407.14868	5.1
409.11331	1.4
409.16599	6.5
423.09451	0.9
425.11066	1.5
425.16504	20.3
426.16693	2.4
435.14865	2.7
451.13855	1.3
453.15744	100.0
454.15976	12.8
458.14493	1.0
461.12421	2.3
463.13937	1.8
467.17191	4.0
473.10986	76.2
474.11200	9.1
479.13574	3.0
481.11069	7.6
485.18280	35.6
486.18756	7.0
489.12030	6.1
495.17014	4.9
497.14609	1.0
499.31055	4.4
503.33844	1.8
507.13217	5.7
525.14093	7.4
527.19495	1.8
539.14972	1.7
557.16785	5.8
599.21655	4.9
600.22137	1.6
631.23962	16.3
632.24628	2.7
659.19727	9.0
667.39197	3.8
671.19159	1.6
693.69580	1.1
703.21588	5.5
703.30249	1.0
703.36700	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	703.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85028	0.7
57.03321	2.6
59.01264	5.5
59.87062	0.8
61.98713	4.1
63.02272	1.6
65.00200	4.9
71.01269	3.4
71.30087	1.4
73.02843	0.8
75.00758	1.0
83.01283	4.5
85.02843	1.3
89.02341	1.5
93.03371	1.6
95.01286	1.3
96.95921	5.1
101.01627	0.9
101.02338	2.0
107.01276	7.0
108.02096	0.8
109.02850	1.0
111.00793	0.9
113.02364	1.0
121.02881	1.6
124.01591	2.9
125.02363	11.4
135.00740	0.8
135.02933	1.6
135.04424	1.2
137.02367	4.5
139.00377	0.9
139.11227	3.5
141.12798	1.0
150.03165	1.1
151.00299	15.7
152.01144	4.9
152.02135	1.0
154.08525	0.8
157.12280	1.3
161.02274	1.6
163.03947	1.0
163.11172	0.8
165.01913	2.2
169.01389	2.3
175.04010	1.0
177.01895	1.5
178.99832	10.5
185.11784	35.3
185.13448	1.8
186.12119	1.4
189.01866	0.9
193.01382	11.9
193.03009	1.2
193.04997	1.3
195.04495	1.2
201.11407	1.1
203.03395	1.3
205.01337	1.1
209.11777	1.8
211.03967	4.8
217.01431	0.9
225.11261	1.5
229.10812	100.0
230.11188	5.5
239.03516	36.2
239.06024	1.0
240.03954	1.7
241.04988	1.1
259.02448	2.6
265.10907	1.6
267.03027	2.8
267.06470	1.0
269.04565	2.9
269.08658	0.8
279.12466	1.3
285.00409	0.9
295.02524	40.2
295.05688	1.4
296.03128	4.0
296.06705	1.0
297.04071	3.5
297.07516	1.3
298.04865	1.0
309.03986	0.9
310.04794	0.9
311.02072	3.7
312.99921	2.1
323.05875	1.4
323.16525	1.7
324.02869	2.2
324.06424	1.4
326.04321	17.6
327.05093	9.1
339.07285	2.7
341.17642	1.6
345.13586	1.2
348.02814	3.2
367.15475	0.9
391.15677	7.3
407.15088	2.8
409.16779	4.8
423.28763	1.7
425.10916	1.0
425.16568	13.3
426.16635	1.9
435.15036	1.6
437.12119	2.0
437.30624	1.2
453.15790	65.2
453.29984	3.3
454.16229	6.9
455.31827	6.4
457.29617	1.4
461.12558	2.9
463.13968	1.5
467.17499	3.7
469.29633	1.4
473.10959	81.7
474.11246	9.9
479.13486	4.5
481.10959	6.1
485.18289	28.1
486.18546	3.4
489.12033	7.1
490.11865	1.0
495.16702	3.6
497.14697	1.1
499.30728	13.2
507.13007	6.8
521.14465	1.4
525.14099	7.8
527.19128	1.7
539.15643	3.9
557.16766	5.5
599.21448	4.1
631.24078	10.1
632.24323	2.2
659.20038	6.6
660.19617	1.1
667.38995	3.4
703.21423	5.3
703.35797	1.3
704.21973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16114	0.2
57.03323	0.2
59.01261	1.9
61.98684	0.8
68.99642	0.2
69.03337	0.2
71.01231	0.7
73.02798	0.8
83.01234	0.2
85.02806	0.3
89.02301	0.2
96.95881	0.2
101.02312	0.8
107.09956	0.2
113.02299	0.4
117.01987	0.2
125.02303	0.6
137.02310	0.3
155.03418	0.2
165.01807	0.3
199.65350	0.2
203.05727	0.2
209.11786	0.3
257.45236	0.2
325.02960	0.2
359.23489	0.2
387.15250	0.2
389.29013	0.2
391.26138	0.3
399.66422	0.2
406.28702	0.4
433.27597	0.2
434.79745	0.2
451.28601	45.1
452.28937	6.6
465.30099	0.7
469.29651	4.0
470.30032	0.4
474.68121	0.2
481.29749	0.3
487.82736	0.2
493.30170	0.3
499.30753	100.0
500.31113	14.1
511.30612	0.3
513.32556	0.3
598.25299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	14.4
60.01594	0.9
61.01687	0.5
61.98715	100.0
69.58332	0.1
71.28131	0.3
73.33234	0.1
75.77998	0.1
109.14671	0.1
110.65672	0.1
116.36427	0.1
129.14725	0.1
137.08360	0.1
367.57001	0.1
438.12711	0.2
440.13510	0.2
441.13199	0.2
455.15527	0.4
482.15509	0.4
483.15408	1.5
484.15540	2.6
485.15402	0.3
496.16742	0.2
497.16583	0.6
498.17181	1.0
499.18896	0.3
500.18747	0.5
541.17206	0.2
542.16632	0.7
543.16699	0.7
544.17889	0.2
556.18573	0.7
557.19098	2.5
558.19257	5.7
559.19543	0.3
574.16010	0.8
575.16071	1.7
587.15796	0.2
588.17700	0.4
589.17389	0.7
642.23175	0.2
643.23193	0.8
644.22974	3.6
645.22937	0.3
703.25043	1.2
704.24896	11.3
705.24481	1.2
722.65753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37780	2.2
54.65454	2.7
56.98759	2.2
58.66914	2.1
59.01256	10.7
61.98716	29.0
69.44659	15.9
71.01254	9.8
73.08866	2.3
78.95789	8.5
80.96407	6.5
89.02333	3.4
89.47549	2.2
96.95953	4.3
101.02331	4.1
113.02373	2.6
125.02379	5.0
152.99513	4.7
153.37820	2.7
171.10213	3.5
179.05534	3.1
179.14259	3.6
180.65050	2.2
195.13895	4.3
197.11870	3.6
205.12260	9.1
209.11827	76.7
210.12144	4.0
211.13402	3.7
211.69630	2.8
223.13394	100.0
224.13744	7.9
227.12918	23.0
235.08273	6.9
253.09290	8.3
413.28683	2.8
445.20868	3.9
459.22495	36.5
460.22687	5.4
554.22296	2.8
633.32794	3.5
651.33875	11.8
669.35461	3.1
673.33826	3.6
705.32678	59.6
706.32861	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	705.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09900	2.3
59.01255	10.9
61.98717	19.7
70.74133	9.0
71.01263	9.1
78.95789	8.5
80.96403	9.0
83.01302	2.1
83.04913	3.4
89.02354	4.8
96.95918	5.7
99.04414	7.4
101.02334	5.3
113.02300	2.5
115.00282	2.2
125.02357	2.6
135.70786	2.5
163.11182	2.9
171.10201	3.4
195.03052	2.8
195.13824	2.3
205.12270	3.8
209.11821	100.0
210.12093	4.6
211.13318	6.6
223.13380	59.1
224.13664	3.4
225.11299	4.6
227.12863	28.5
235.08215	5.2
253.09271	8.5
261.15274	2.7
445.20868	8.6
455.30911	2.3
459.22443	8.6
463.21735	3.8
483.30942	8.8
546.33765	2.3
651.34216	8.8
669.35266	5.5
705.32654	59.1
706.32391	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	705.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47917	0.2
57.03335	0.3
58.21384	0.2
59.00998	0.3
59.01264	3.3
61.98709	0.5
69.03324	0.2
71.01260	2.3
71.43352	0.3
73.02825	0.5
78.95749	0.3
80.02566	1.1
81.02917	0.2
81.03348	0.9
83.01268	0.5
83.04913	4.7
84.02074	0.8
85.02837	0.8
87.00774	0.7
89.02331	1.6
95.04921	0.6
96.95936	0.4
97.02849	0.3
101.02346	2.1
109.06472	0.4
113.02340	1.3
119.03396	0.6
125.02314	0.6
125.05999	0.3
135.08026	0.5
137.02400	0.4
144.85629	0.3
149.90538	0.3
161.04485	0.6
163.11238	3.9
165.12773	1.6
165.51677	0.3
169.12314	0.3
171.10196	1.2
179.05502	0.3
181.12286	0.5
191.10744	0.9
197.11826	0.6
207.10210	0.3
209.11813	100.0
210.12152	6.4
225.11340	0.4
227.12877	14.2
228.13286	1.1
235.08203	1.8
239.58025	0.3
247.13387	0.3
253.09320	5.5
307.19281	1.0
445.21088	1.6
453.30261	0.5
463.21515	0.3
471.76590	0.2
489.32285	0.5
501.32074	1.1
637.32031	0.6
662.57422	0.3
673.33374	0.3
705.33026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
57.97191	0.2
59.01262	3.9
71.01260	1.9
73.02821	1.0
75.00794	0.3
87.00774	0.3
89.02377	0.3
97.02882	0.4
101.02354	1.4
113.02345	0.6
116.73292	0.2
119.04937	0.3
119.08492	0.4
125.02354	0.8
133.45956	0.2
138.55789	0.3
143.03410	0.4
147.38847	0.2
153.61281	0.3
155.03398	0.3
158.29642	0.3
167.03464	0.3
170.77269	0.3
178.99797	0.3
203.05547	0.7
257.98511	0.3
327.21207	0.7
341.22467	0.3
343.24356	1.0
355.24191	0.3
357.26016	0.5
359.23776	0.4
359.27475	1.5
360.27686	0.4
373.25491	1.0
375.27072	0.8
377.28650	1.2
379.26511	0.4
391.26337	0.7
393.28128	1.0
403.30203	0.6
405.28085	0.9
407.25336	0.4
407.30081	0.6
409.31262	0.9
411.29086	1.2
423.29178	3.0
424.29565	0.4
425.30713	7.6
426.30627	0.8
439.32632	0.4
441.30246	1.0
457.33362	12.4
458.33472	2.0
459.31262	3.0
460.31534	0.5
469.30051	0.4
483.31213	0.6
501.32309	100.0
502.32669	16.3
503.29718	0.4
543.32983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82190	0.1
55.01760	0.4
57.03318	0.3
59.01263	6.4
67.01746	0.1
68.99695	0.3
69.03334	0.4
70.60077	0.2
70.60449	0.2
71.01267	2.5
72.99195	0.1
73.02445	0.2
73.02831	2.6
75.00755	0.3
77.64742	0.1
81.03342	0.1
83.01270	0.8
83.04913	5.1
84.33599	0.1
85.02856	0.6
89.02291	0.1
89.49034	0.1
93.03395	0.1
96.95895	0.5
97.02831	0.2
97.06501	0.4
99.00764	0.2
101.02342	3.1
107.01248	0.2
109.02836	0.1
111.00779	0.1
113.02361	1.1
119.04934	0.2
119.08588	0.2
121.96396	0.1
125.02353	0.8
131.03416	0.3
135.02885	0.2
137.02403	0.1
143.03415	0.4
151.00322	0.7
152.01256	0.2
155.03368	0.3
161.04576	0.2
163.03983	0.2
165.79509	0.1
167.03491	0.1
178.99800	0.8
203.05560	0.7
209.11816	0.5
227.12914	0.2
305.22781	0.9
306.23178	0.2
321.22446	0.2
341.24899	0.3
343.04776	0.1
350.92429	0.1
355.24530	0.2
371.23700	0.2
373.27588	0.3
375.26962	0.2
387.26965	0.8
389.24533	0.2
389.28998	0.2
391.30005	0.4
401.28836	0.2
405.27963	2.3
406.28812	0.2
407.29599	0.2
417.28241	0.8
423.29126	0.2
427.18143	0.2
429.30164	1.1
430.30911	0.2
433.27454	0.1
435.29022	0.3
441.30209	0.3
449.26437	0.1
451.28558	0.5
455.31592	0.2
457.33350	0.8
465.30411	0.2
471.31146	0.5
483.31253	13.8
484.31583	2.1
489.32343	0.3
497.14655	0.4
497.33200	0.3
501.32312	100.0
502.32672	15.6
515.33893	0.7
543.33246	0.6
563.51251	0.1
573.34888	0.1
588.63342	0.1
641.89148	0.1
643.19733	0.2
661.21149	0.3
673.21100	0.6
674.22089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63301	0.7
55.01764	1.2
57.03319	3.2
58.00481	0.9
58.02297	0.6
59.01263	25.6
61.98718	4.7
63.02304	0.7
63.56438	0.6
65.00196	1.9
69.03331	3.6
71.01266	11.2
71.04910	9.8
71.55759	0.8
71.56119	0.8
72.99200	1.5
73.02834	7.2
75.00731	1.6
81.03365	1.1
83.01270	4.5
83.04915	4.5
85.02853	3.8
87.00801	1.5
88.98689	0.7
89.02328	4.8
95.01300	1.2
96.95921	3.9
97.02888	1.4
97.06462	0.9
99.00797	1.7
99.04391	1.0
101.02346	14.1
107.01286	3.4
109.02879	2.1
109.06488	1.4
111.00764	1.0
111.04400	0.7
113.02358	4.6
119.04932	1.4
119.08592	1.3
121.02924	1.1
121.06464	0.8
123.04432	1.0
123.08057	0.6
124.01583	1.4
125.02366	12.9
125.09642	1.2
126.02700	1.3
131.03432	1.1
133.02887	0.9
135.02869	1.1
135.04446	1.8
137.02361	4.4
143.03403	1.1
147.04442	0.8
149.32814	0.6
151.00291	10.0
151.03928	1.3
152.01042	2.3
153.01852	0.8
155.03394	1.0
161.02385	1.1
161.04523	1.4
161.05881	0.7
163.00340	0.9
163.03964	1.9
164.01083	0.8
165.01884	2.2
167.03435	1.9
169.01317	1.6
171.10240	0.9
175.03955	1.4
177.01904	2.0
178.02576	0.8
178.99844	8.8
179.03445	2.1
185.00969	0.9
185.11871	0.7
189.01991	0.7
192.00609	0.9
193.01355	2.2
197.11810	6.3
201.11292	3.1
205.01564	1.7
207.02896	0.9
207.10309	0.9
209.11807	7.8
211.13235	1.2
225.11282	2.1
227.12891	1.4
231.02931	1.1
243.03020	1.9
253.09319	1.1
255.03017	1.0
259.02548	0.9
271.02634	0.8
285.04117	0.8
287.02081	1.5
289.07178	1.5
299.02121	1.3
299.05508	1.1
300.02878	1.2
305.22748	1.5
316.02219	1.0
327.05322	3.3
353.25009	1.0
373.27679	1.0
386.29871	0.9
391.30057	3.5
397.27338	1.1
404.27155	0.8
405.28036	2.2
407.29526	0.8
409.31604	1.2
419.29596	2.4
421.31119	1.3
423.29013	3.6
425.30655	2.6
427.17865	7.5
428.17734	1.1
435.29202	0.8
437.31119	1.2
439.13049	0.8
439.32199	1.5
451.13736	0.7
451.28696	1.3
453.15695	1.2
453.30264	2.7
455.31723	3.0
457.33380	12.0
458.33777	1.4
469.15002	4.6
470.15396	1.2
471.31253	3.6
472.31622	1.2
479.13943	2.0
481.15088	4.4
483.31778	13.0
484.31662	2.0
489.32321	28.4
490.32547	4.1
497.14658	6.8
498.14584	1.8
499.16098	2.0
501.32324	100.0
502.32639	13.9
515.15814	2.5
543.33600	3.4
546.21405	0.8
559.15192	1.3
608.13245	1.0
643.20300	5.5
644.21222	1.2
645.35492	0.9
661.21619	4.0
661.31573	1.5
662.22369	1.1
667.39343	2.2
669.40961	5.2
670.40735	1.2
687.32660	4.4
705.20862	2.9
705.34784	6.9
706.35608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
57.97191	0.2
59.01262	3.9
71.01260	1.9
73.02821	1.0
75.00794	0.3
87.00774	0.3
89.02377	0.3
97.02882	0.4
101.02354	1.4
113.02345	0.6
116.73292	0.2
119.04937	0.3
119.08492	0.4
125.02354	0.8
133.45956	0.2
138.55789	0.3
143.03410	0.4
147.38847	0.2
153.61281	0.3
155.03398	0.3
158.29642	0.3
167.03464	0.3
170.77269	0.3
178.99797	0.3
203.05547	0.7
257.98511	0.3
327.21207	0.7
341.22467	0.3
343.24356	1.0
355.24191	0.3
357.26016	0.5
359.23776	0.4
359.27475	1.5
360.27686	0.4
373.25491	1.0
375.27072	0.8
377.28650	1.2
379.26511	0.4
391.26337	0.7
393.28128	1.0
403.30203	0.6
405.28085	0.9
407.25336	0.4
407.30081	0.6
409.31262	0.9
411.29086	1.2
423.29178	3.0
424.29565	0.4
425.30713	7.6
426.30627	0.8
439.32632	0.4
441.30246	1.0
457.33362	12.4
458.33472	2.0
459.31262	3.0
460.31534	0.5
469.30051	0.4
483.31213	0.6
501.32309	100.0
502.32669	16.3
503.29718	0.4
543.32983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56444	0.1
53.10208	0.2
55.01323	0.1
57.03328	0.1
57.26479	0.2
59.01263	3.7
61.98708	1.3
63.02302	0.2
65.85667	0.1
69.03313	0.2
69.29192	1.7
71.01273	1.3
73.02827	0.6
75.00758	0.2
78.95795	0.2
83.01287	0.2
83.04909	0.2
85.02831	0.3
87.00768	0.2
89.02335	0.5
96.95901	0.6
97.02782	0.2
101.02352	1.3
109.02834	0.2
111.00722	0.2
113.02345	0.4
119.04900	0.2
125.02386	1.2
131.03426	0.2
135.02864	0.3
135.04471	0.3
137.02344	0.7
145.02893	0.3
149.02339	0.2
151.00287	0.3
155.03474	0.2
163.04062	0.1
165.01823	0.4
167.03435	0.2
169.12271	0.2
169.77510	0.2
171.10228	0.3
175.38557	0.2
177.01854	0.3
178.99854	0.3
179.03427	0.2
197.11821	0.2
199.13321	0.2
203.03795	0.2
203.05569	0.2
209.02965	0.2
209.11786	1.3
227.12862	0.5
239.69666	0.2
259.02448	0.2
269.36368	0.2
271.02521	0.2
287.02170	0.2
289.07370	0.2
303.21146	0.2
315.01596	0.6
316.02127	0.3
371.26932	0.2
389.28738	0.3
391.30045	0.2
435.28891	0.2
453.30219	0.2
457.33334	1.1
461.07401	0.2
462.08136	0.6
483.31302	4.5
484.31494	0.8
489.32190	0.3
501.32291	100.0
502.32669	15.0
543.33331	1.0
673.21729	0.4
687.32562	0.2
705.19220	0.2
705.33911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01264	3.5
61.98714	1.3
67.47575	0.2
69.29210	1.9
69.37222	0.2
71.01257	1.5
73.02821	0.6
81.03339	0.3
83.01259	0.3
83.04898	0.3
85.02824	0.3
88.98677	0.2
89.02309	0.5
96.95895	0.7
97.02894	0.2
101.02338	1.3
109.02805	0.2
113.02341	0.6
116.92735	0.2
119.03381	0.3
123.04396	0.3
125.02335	1.5
131.03389	0.2
131.30626	0.2
135.02907	0.2
137.02350	0.5
138.02798	0.2
143.03423	0.2
151.00266	0.6
155.03409	0.2
161.02277	0.3
161.04471	0.3
163.03941	0.3
164.00983	0.2
165.01884	0.4
169.12297	0.2
170.13617	0.2
178.99881	0.3
197.11800	0.3
198.87262	0.2
199.13281	0.2
203.05502	0.2
209.11830	1.5
225.11337	0.2
227.12877	0.5
263.41843	0.2
271.02747	0.2
287.01938	0.3
289.07080	0.2
315.01529	0.8
316.02216	0.4
330.17645	0.2
391.30258	0.3
453.29855	0.2
457.33246	1.0
461.07135	0.3
462.08148	0.6
474.55984	0.2
483.16238	0.2
483.31247	4.2
484.31345	0.9
489.32462	0.3
501.32309	100.0
502.32672	15.4
502.43405	0.3
543.33246	1.1
544.34229	0.2
645.34967	0.3
669.29407	0.2
673.21094	0.3
687.32355	0.3
700.56970	0.2
705.18750	0.4
705.38678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01584	1.0
61.98712	0.6
71.01276	1.5
73.69227	0.4
78.95792	1.0
80.02554	0.7
81.03346	0.9
83.04917	3.4
89.02335	0.7
95.01296	0.5
101.02372	1.4
113.02410	0.5
119.03407	0.5
140.91316	0.5
163.11211	2.1
165.12849	1.5
191.10684	0.8
209.11813	78.4
210.12138	5.3
253.09244	3.4
277.21780	45.6
278.22141	4.6
304.64432	0.4
327.94205	0.5
364.96548	0.5
384.30527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.46
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.0
61.98689	0.1
69.03340	0.1
73.02846	0.2
78.95748	0.1
84.82993	0.1
101.74468	0.1
116.95130	0.1
277.21826	0.2
603.43188	0.2
658.76123	0.1
705.46344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13960	0.2
56.26155	0.2
57.36604	0.2
59.01262	100.0
60.01581	1.1
61.98723	0.4
65.54949	0.2
69.43306	0.3
69.43707	1.6
78.95805	0.3
152.99571	0.2
163.21304	0.2
205.87344	0.2
209.11865	0.8
212.08257	0.3
277.21799	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	705.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24395	0.2
52.08128	0.2
59.01262	100.0
60.01604	0.9
61.98715	0.5
71.01273	0.4
73.02840	0.3
78.95779	0.4
80.64577	0.2
94.57603	0.2
95.61063	0.2
135.06964	0.2
143.61552	0.2
149.08345	0.2
209.11835	0.2
277.21875	0.5
303.61386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29169	0.1
57.77454	0.1
58.14638	0.1
59.24045	0.1
60.86037	0.1
67.23656	0.1
69.86324	0.6
74.04922	0.1
79.63661	0.1
79.95625	2.7
89.60416	0.1
96.95908	100.0
97.95848	0.3
109.02769	0.1
109.04054	0.1
129.50739	0.1
137.02319	0.1
151.00357	0.1
154.99783	0.1
169.01358	0.1
178.99811	0.1
201.49907	0.1
253.42155	0.1
255.02934	0.3
271.02481	0.2
300.02686	0.9
301.03433	0.3
609.14758	1.0
610.14581	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95865	0.8
56.34642	0.7
57.03336	3.0
57.95683	0.7
59.01260	5.7
61.98718	0.8
63.02271	4.0
63.50985	0.8
63.96138	0.8
65.00208	6.5
69.25665	4.2
69.26090	4.3
71.01283	4.1
71.46404	0.7
73.02857	1.2
80.36264	0.8
81.03349	1.3
83.01279	8.6
85.02837	1.9
87.00798	0.8
89.02345	2.9
93.03351	2.1
96.95911	14.7
97.02858	1.3
99.04388	1.2
101.02348	1.9
107.01298	12.9
109.02874	3.2
113.02364	1.3
119.04887	1.0
121.02869	1.8
123.04443	1.0
124.01591	2.3
125.02366	15.4
133.02901	1.0
135.02956	1.7
135.04448	2.2
135.98289	2.0
137.02390	12.4
139.04021	0.9
143.03493	0.8
149.02339	2.0
151.00307	38.5
151.03932	0.9
152.00996	3.3
153.01759	1.1
159.04433	1.1
161.02354	2.0
163.00320	2.0
163.03970	1.2
164.01094	3.2
165.01881	3.3
167.03468	5.3
169.01376	8.5
171.10269	2.1
172.05153	0.9
173.05989	2.2
174.03241	1.3
174.40736	0.9
175.03961	1.8
176.01085	0.8
176.99541	0.8
177.01889	7.2
178.99818	50.1
179.03429	3.2
180.00195	2.0
183.04573	1.9
187.03940	2.0
188.32643	0.9
189.01967	1.1
189.05569	1.0
190.02704	1.2
191.03523	1.4
191.05220	0.8
192.00706	0.8
192.65997	0.7
193.01381	8.5
193.05110	0.9
197.20595	0.8
199.03964	3.2
201.01802	1.1
201.05530	4.8
201.11307	1.8
202.02844	0.9
203.03447	2.6
205.01390	4.5
207.02928	2.9
209.11816	2.6
211.04028	5.8
212.04706	2.3
213.01897	1.4
213.05501	1.9
214.02692	1.9
215.03510	6.2
217.04897	1.2
219.02991	2.0
225.05600	0.8
225.11394	0.9
227.03516	6.7
228.04271	4.0
229.01442	2.6
229.05035	7.1
231.03006	2.1
233.01013	1.2
237.01868	1.5
239.03523	4.9
241.04988	1.7
242.02188	1.9
243.02922	6.7
247.02565	2.7
251.03560	4.0
253.05042	1.6
254.05957	1.1
255.03023	5.9
255.06731	2.3
256.03799	5.0
257.04630	5.5
264.04196	1.0
265.05048	3.2
267.02966	4.0
267.06677	2.2
269.04675	1.3
271.02481	1.4
273.05765	1.1
277.05255	1.8
279.03107	1.5
280.03580	1.3
281.04709	5.8
281.07483	1.1
283.02496	2.2
288.04288	0.9
290.06076	1.1
291.06815	1.0
293.04623	3.2
295.06049	1.3
297.04068	1.0
298.04648	1.0
299.05704	1.4
301.05017	1.1
304.03696	1.0
305.04584	2.1
306.05313	1.3
307.02725	0.9
307.06232	2.3
309.04080	1.5
309.07648	1.1
311.05655	1.6
315.01346	0.9
316.02420	1.3
317.04523	3.0
318.04892	1.1
319.05981	0.9
320.03635	1.0
321.04077	3.7
323.05688	1.8
329.04556	1.2
333.04150	2.7
333.07681	1.4
334.04694	1.3
335.05606	3.3
337.03448	1.8
345.04037	3.6
346.04663	1.2
347.05646	1.4
349.03711	2.5
350.04459	6.1
351.05142	5.9
352.05676	1.2
355.04764	0.9
357.13467	1.4
359.05585	1.2
361.03656	1.9
362.04242	2.4
363.05170	13.5
364.05612	1.9
366.03885	2.4
367.04532	5.1
373.03580	3.4
375.05118	1.7
377.06955	4.9
379.04672	5.6
380.05270	2.6
381.06229	4.3
383.11093	1.4
385.03378	0.9
387.04984	1.0
389.03085	1.8
390.03983	3.9
391.04663	12.3
392.05219	1.2
393.02554	1.2
401.03027	5.7
403.04453	1.3
407.04166	2.4
408.04895	1.6
409.05698	7.6
410.05701	1.0
418.03329	3.3
419.04163	79.6
420.04492	9.9
431.04211	2.6
435.34485	0.8
436.04221	1.2
437.05206	11.4
438.05463	1.2
483.09412	2.5
485.28967	1.5
491.06241	0.8
503.33972	11.7
509.14462	2.7
511.07864	0.9
527.15631	2.1
531.09399	2.5
539.08185	7.2
540.08179	1.5
541.10101	1.4
545.17035	1.1
551.08380	3.3
557.07349	14.3
558.07867	2.3
569.09399	13.0
570.09961	1.0
575.08411	100.0
576.08698	16.0
663.30188	1.3
689.10919	2.5
689.21106	7.7
707.12677	23.4
707.24548	2.0
708.12933	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	707.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78829	0.6
55.01752	0.6
57.03337	1.0
58.00480	1.2
59.01263	28.0
59.11989	0.6
60.08737	0.5
60.99180	0.9
61.98701	2.5
68.24534	0.5
69.03347	1.8
69.84926	0.5
70.62375	1.8
71.01265	18.1
71.04861	0.5
72.99177	1.5
73.02824	3.3
75.00744	1.0
76.47883	0.6
78.95776	1.9
80.02555	0.5
80.96413	1.6
81.03365	1.0
83.01283	1.9
83.04919	0.9
85.02840	5.0
87.00759	3.2
88.98710	4.8
89.02332	16.5
95.01276	1.0
96.95894	2.7
97.02834	3.0
99.00774	1.7
99.04391	0.7
99.84853	0.5
100.36676	0.6
101.02342	14.0
109.02847	1.0
109.06500	0.8
111.00774	0.6
111.08070	6.2
113.02359	6.4
113.09637	1.1
113.47749	0.7
119.03413	5.6
119.04904	0.5
121.02861	0.8
123.04457	0.6
123.08074	0.8
125.02376	4.8
125.09605	0.8
133.02846	0.7
135.02902	1.5
137.02335	1.5
141.09154	0.9
143.03450	2.4
145.02911	0.7
152.99525	1.0
153.12717	0.8
154.21025	0.5
161.02299	0.6
161.04433	2.8
163.11214	0.7
165.01988	0.7
165.12788	1.6
167.03319	0.6
167.14322	0.6
169.12296	2.0
174.52687	0.6
177.01906	1.0
178.02734	0.7
178.99867	0.9
179.05563	4.1
180.95718	0.5
181.12318	1.8
183.13980	0.7
189.01945	1.0
193.12285	0.7
195.13770	1.5
197.11803	26.0
198.12100	1.4
199.13376	1.9
209.11806	9.8
210.12144	3.9
211.13545	5.6
212.13893	0.6
217.01350	1.1
217.07333	0.6
219.02914	0.8
221.06653	0.8
227.12901	2.4
228.13303	0.8
235.08147	3.1
247.20766	2.6
253.09315	1.7
263.07764	0.8
263.20227	1.6
265.25940	0.5
273.18668	2.1
281.21262	0.9
289.82904	0.6
291.19714	22.7
292.20090	2.1
305.08820	0.6
309.20764	100.0
310.21060	9.1
323.09778	1.0
339.25479	1.3
397.08420	0.9
397.13602	21.8
398.13803	2.6
415.14639	26.2
416.14899	2.3
441.33777	2.5
453.29980	1.0
454.30814	1.1
455.31198	1.1
456.19797	0.7
473.32736	3.6
485.32526	1.9
491.56012	0.6
495.09067	0.7
501.32376	7.5
502.32800	5.1
503.33429	12.7
504.33835	0.9
543.33514	1.0
647.37128	0.7
707.35492	15.3
708.35236	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	707.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78829	0.6
55.01752	0.6
57.03337	1.0
58.00480	1.2
59.01263	28.0
59.11989	0.6
60.08737	0.5
60.99180	0.9
61.98701	2.5
68.24534	0.5
69.03347	1.8
69.84926	0.5
70.62375	1.8
71.01265	18.1
71.04861	0.5
72.99177	1.5
73.02824	3.3
75.00744	1.0
76.47883	0.6
78.95776	1.9
80.02555	0.5
80.96413	1.6
81.03365	1.0
83.01283	1.9
83.04919	0.9
85.02840	5.0
87.00759	3.2
88.98710	4.8
89.02332	16.5
95.01276	1.0
96.95894	2.7
97.02834	3.0
99.00774	1.7
99.04391	0.7
99.84853	0.5
100.36676	0.6
101.02342	14.0
109.02847	1.0
109.06500	0.8
111.00774	0.6
111.08070	6.2
113.02359	6.4
113.09637	1.1
113.47749	0.7
119.03413	5.6
119.04904	0.5
121.02861	0.8
123.04457	0.6
123.08074	0.8
125.02376	4.8
125.09605	0.8
133.02846	0.7
135.02902	1.5
137.02335	1.5
141.09154	0.9
143.03450	2.4
145.02911	0.7
152.99525	1.0
153.12717	0.8
154.21025	0.5
161.02299	0.6
161.04433	2.8
163.11214	0.7
165.01988	0.7
165.12788	1.6
167.03319	0.6
167.14322	0.6
169.12296	2.0
174.52687	0.6
177.01906	1.0
178.02734	0.7
178.99867	0.9
179.05563	4.1
180.95718	0.5
181.12318	1.8
183.13980	0.7
189.01945	1.0
193.12285	0.7
195.13770	1.5
197.11803	26.0
198.12100	1.4
199.13376	1.9
209.11806	9.8
210.12144	3.9
211.13545	5.6
212.13893	0.6
217.01350	1.1
217.07333	0.6
219.02914	0.8
221.06653	0.8
227.12901	2.4
228.13303	0.8
235.08147	3.1
247.20766	2.6
253.09315	1.7
263.07764	0.8
263.20227	1.6
265.25940	0.5
273.18668	2.1
281.21262	0.9
289.82904	0.6
291.19714	22.7
292.20090	2.1
305.08820	0.6
309.20764	100.0
310.21060	9.1
323.09778	1.0
339.25479	1.3
397.08420	0.9
397.13602	21.8
398.13803	2.6
415.14639	26.2
416.14899	2.3
441.33777	2.5
453.29980	1.0
454.30814	1.1
455.31198	1.1
456.19797	0.7
473.32736	3.6
485.32526	1.9
491.56012	0.6
495.09067	0.7
501.32376	7.5
502.32800	5.1
503.33429	12.7
504.33835	0.9
543.33514	1.0
647.37128	0.7
707.35492	15.3
708.35236	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	707.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.9
71.01270	0.3
71.04897	0.8
71.37863	0.3
71.90650	0.2
73.02818	0.5
73.42726	0.2
82.50278	0.2
96.17698	0.2
99.47423	0.2
101.02350	0.2
308.43677	0.2
357.25836	0.4
377.28406	0.5
393.31815	1.0
407.29651	1.5
419.29828	1.5
437.30884	0.4
443.31802	1.6
453.30051	0.6
459.34760	0.4
473.03854	0.3
485.32831	15.3
486.33340	1.7
503.33878	100.0
504.34268	13.2
504.40070	0.2
504.42087	0.3
545.34631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83888	0.1
57.03323	0.2
58.66459	0.2
59.01260	2.6
61.98726	0.8
68.99685	0.2
70.60233	0.6
71.01269	1.8
71.04914	0.2
73.02829	0.7
75.00776	0.4
81.28697	0.2
82.93486	0.1
83.01271	0.3
85.02834	0.4
89.02309	0.3
93.03370	0.2
96.95901	0.2
101.02363	1.1
105.89807	0.2
113.02338	0.4
121.71500	0.2
125.09631	0.2
132.23129	0.2
135.02939	0.4
137.02296	0.2
151.00232	0.2
161.04465	0.2
171.10240	0.8
191.14357	0.2
201.11282	0.5
203.05666	0.3
209.11774	1.5
225.11295	0.4
227.12946	0.3
253.09285	0.2
263.18530	0.2
271.02359	0.2
287.01868	0.3
315.01602	0.6
316.02414	0.4
357.26001	0.2
363.27249	0.2
369.26154	0.2
373.25220	0.3
377.28494	0.3
379.30072	0.4
381.32138	0.2
387.27042	0.2
389.28458	0.6
391.30511	0.3
393.31812	0.3
401.28571	1.0
403.30099	0.4
407.29755	1.4
409.31360	2.0
417.28113	0.6
419.29605	0.8
421.26047	0.3
421.31198	3.1
422.31476	0.5
423.33456	0.2
425.30630	0.9
427.32117	0.2
439.32211	0.9
441.33859	6.6
442.34067	1.0
453.30212	1.1
455.31802	0.3
457.33426	3.2
458.33481	0.4
459.35226	0.2
467.31509	0.2
473.32803	2.3
474.33176	0.3
478.07364	0.3
485.32843	3.8
486.33154	0.5
503.33868	100.0
504.34222	11.9
504.41983	0.3
545.35046	0.8
576.52533	0.3
689.21277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28436	0.2
55.01764	0.2
55.50518	0.2
55.66623	0.2
57.03339	0.6
58.00470	0.5
59.01261	38.6
60.01595	0.4
61.98720	0.6
70.70520	0.6
71.01266	5.5
72.01627	0.2
72.99201	0.4
73.02843	1.0
74.72347	0.2
75.00754	0.2
78.95797	0.2
81.03360	0.2
83.01271	0.6
85.02849	1.3
87.00786	0.7
89.02331	5.1
93.69212	0.2
95.01286	0.4
96.95845	0.4
97.02840	0.7
97.06518	0.3
101.02343	3.8
111.08058	0.8
113.02338	2.2
119.03413	1.8
119.04958	0.4
123.04359	0.4
125.02364	1.5
125.05978	0.3
125.09654	0.4
135.02913	0.7
135.04478	0.2
137.02382	0.5
139.04034	0.2
143.03429	0.6
151.00301	0.5
161.04495	0.9
163.11223	0.8
165.12727	1.1
169.12292	0.3
171.10213	0.9
178.02611	0.3
178.99841	0.4
179.05550	1.1
180.25993	0.2
181.12283	0.7
185.11768	0.6
191.03502	0.3
193.15976	0.6
197.11774	1.9
199.13483	0.2
207.10207	0.5
209.11821	1.2
209.15422	0.6
211.13449	0.2
219.03014	0.3
221.06593	0.4
223.13361	0.3
223.17145	0.3
225.11333	0.3
227.12849	0.5
235.08217	0.7
236.44943	0.2
247.20712	1.1
251.16655	0.3
253.09175	0.4
263.07800	0.2
273.18643	0.4
277.09436	0.2
287.01706	0.2
291.19720	13.8
292.20047	1.3
309.20764	25.4
310.21158	2.4
352.43939	0.2
397.13562	6.1
398.13901	0.5
415.09006	0.4
415.14578	7.0
416.14828	0.4
474.01050	0.2
485.32794	100.0
486.33139	13.7
488.65558	0.2
499.33954	0.4
503.33771	5.0
504.34390	0.7
527.33771	0.3
543.18066	0.2
561.18848	0.4
647.38037	1.6
648.38177	0.4
671.31079	0.3
707.24103	0.3
707.38721	0.9
708.40125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88176	0.1
59.01263	2.1
68.94589	0.1
69.03353	0.1
69.13299	0.1
69.49358	0.3
69.49780	0.5
71.01268	1.0
72.99205	0.1
73.02835	0.8
83.01270	0.3
85.02852	0.2
89.02333	0.1
91.08685	0.1
96.95917	0.3
101.02330	1.0
113.02322	0.5
123.96696	0.1
125.02364	0.4
135.02802	0.1
135.04379	0.1
137.02379	0.1
150.03142	0.1
151.00285	0.2
165.01781	0.1
165.05504	0.1
178.99756	0.2
203.05551	0.2
203.98097	0.1
231.06602	0.1
243.02985	0.1
251.61063	0.1
271.39188	0.1
319.24567	0.2
375.26593	0.1
409.31018	0.2
427.32440	0.3
441.29852	0.6
442.30148	0.1
503.33896	100.0
504.34238	13.1
504.42041	0.1
517.35388	0.4
545.34961	0.4
561.07288	0.1
707.27295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78397	0.7
59.01260	3.1
69.14644	0.7
69.88315	3.4
69.88729	1.5
71.01271	2.8
78.95791	3.2
80.17529	0.7
89.02322	1.4
92.08440	0.7
98.20440	1.4
101.02337	1.7
151.85110	0.7
152.99548	3.5
168.35069	0.8
183.13863	6.1
193.12299	1.5
211.13391	100.0
212.13737	6.2
235.08237	1.5
253.09351	7.7
277.21796	58.8
278.22083	5.9
447.22412	4.3
453.14938	0.8
607.95233	0.9
707.37836	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	709.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01263	7.6
61.98699	0.7
64.41000	0.2
69.03339	0.4
71.01266	2.9
71.04919	0.7
71.05355	0.3
71.55981	0.3
72.99188	0.6
73.02827	2.0
75.00742	1.0
77.87760	0.4
82.74113	0.3
83.01266	0.5
83.04905	0.7
85.02823	0.8
87.00775	0.4
89.02330	1.5
93.03321	0.4
96.95902	1.5
97.02920	0.3
101.02335	1.8
109.02850	0.6
113.02336	0.8
119.03436	0.7
119.04923	0.9
123.04407	0.3
125.02349	0.9
133.02797	0.4
134.03627	0.5
135.02927	2.1
135.04436	6.0
137.02339	0.9
143.03453	0.4
149.02356	0.3
151.00290	0.8
151.03845	0.4
152.01100	0.3
161.02345	1.1
161.04463	0.4
163.03964	0.6
165.01859	0.4
169.01328	0.3
177.01843	0.6
178.02576	0.3
178.99788	0.8
179.03453	4.8
179.05032	0.5
179.05675	0.4
180.00148	0.3
180.03787	0.3
193.04965	0.5
195.06494	0.3
201.11313	0.7
209.11833	1.3
227.12885	0.3
248.57574	0.3
255.58592	0.3
289.07266	0.3
341.08707	0.7
376.75348	0.3
377.28555	0.4
389.28513	0.7
395.29770	0.3
405.28040	0.6
437.26657	0.6
441.30429	0.3
443.31479	0.4
445.29526	0.9
461.32712	1.8
469.29974	1.7
470.29614	0.4
487.30777	28.0
488.31079	4.1
503.18979	0.3
503.33643	0.6
504.34488	2.1
505.31799	100.0
506.32156	13.8
529.31958	0.4
547.18408	0.4
547.32959	2.4
548.33252	0.4
577.08875	0.6
649.36627	0.4
709.12579	0.3
709.23602	1.3
709.35028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01263	7.6
61.98699	0.7
64.41000	0.2
69.03339	0.4
71.01266	2.9
71.04919	0.7
71.05355	0.3
71.55981	0.3
72.99188	0.6
73.02827	2.0
75.00742	1.0
77.87760	0.4
82.74113	0.3
83.01266	0.5
83.04905	0.7
85.02823	0.8
87.00775	0.4
89.02330	1.5
93.03321	0.4
96.95902	1.5
97.02920	0.3
101.02335	1.8
109.02850	0.6
113.02336	0.8
119.03436	0.7
119.04923	0.9
123.04407	0.3
125.02349	0.9
133.02797	0.4
134.03627	0.5
135.02927	2.1
135.04436	6.0
137.02339	0.9
143.03453	0.4
149.02356	0.3
151.00290	0.8
151.03845	0.4
152.01100	0.3
161.02345	1.1
161.04463	0.4
163.03964	0.6
165.01859	0.4
169.01328	0.3
177.01843	0.6
178.02576	0.3
178.99788	0.8
179.03453	4.8
179.05032	0.5
179.05675	0.4
180.00148	0.3
180.03787	0.3
193.04965	0.5
195.06494	0.3
201.11313	0.7
209.11833	1.3
227.12885	0.3
248.57574	0.3
255.58592	0.3
289.07266	0.3
341.08707	0.7
376.75348	0.3
377.28555	0.4
389.28513	0.7
395.29770	0.3
405.28040	0.6
437.26657	0.6
441.30429	0.3
443.31479	0.4
445.29526	0.9
461.32712	1.8
469.29974	1.7
470.29614	0.4
487.30777	28.0
488.31079	4.1
503.18979	0.3
503.33643	0.6
504.34488	2.1
505.31799	100.0
506.32156	13.8
529.31958	0.4
547.18408	0.4
547.32959	2.4
548.33252	0.4
577.08875	0.6
649.36627	0.4
709.12579	0.3
709.23602	1.3
709.35028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17589	0.5
60.12275	0.7
61.50120	0.6
63.96116	1.2
66.70343	0.6
71.01266	5.9
73.02839	1.3
78.98482	5.7
79.95628	11.5
80.96407	69.7
84.32363	0.6
85.02837	2.7
87.00799	2.8
94.97981	15.9
97.02858	1.8
98.19656	1.0
99.00748	0.7
101.02339	2.3
106.97983	3.5
122.97505	3.0
125.02341	2.7
127.03927	0.9
134.97511	4.9
136.99113	1.2
148.99077	5.2
152.98572	4.3
164.98578	10.6
171.10197	1.9
191.06750	0.6
206.99622	2.5
217.04495	0.6
225.00761	17.6
229.41986	0.9
232.99661	0.6
255.23277	1.8
272.40298	0.6
378.89471	0.7
453.14563	3.4
537.27075	1.7
709.38507	100.0
710.38885	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	39.9
60.01596	0.3
61.98714	1.4
71.01264	0.9
71.44034	0.1
72.99184	0.3
73.02823	0.3
78.95821	0.2
85.02838	0.5
88.98704	0.4
89.02326	0.7
96.95908	0.2
97.02837	0.2
101.02359	0.7
108.02083	0.2
110.69643	0.2
113.02354	0.7
119.03410	0.7
125.02353	0.5
135.02887	0.3
135.04414	0.3
137.02338	0.3
138.94560	0.1
142.11826	0.2
145.02885	0.2
151.00305	0.2
151.07599	0.2
161.02362	0.2
161.04503	0.2
162.46518	0.2
164.00958	0.2
171.10201	1.7
177.01860	0.2
178.99789	0.2
197.11765	0.2
201.05521	0.2
209.11818	3.2
210.12245	0.3
221.06653	0.3
227.12971	0.9
253.09319	0.3
274.04807	0.2
309.20752	0.4
310.21185	0.3
311.21497	0.3
372.72223	0.2
377.76718	0.1
385.14038	0.4
391.30164	0.2
445.21011	0.4
463.21884	0.2
487.34360	100.0
488.34692	17.4
529.34943	0.3
637.32336	0.2
649.39618	1.7
650.39423	0.4
709.31329	0.6
709.43109	1.1
710.41956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32913	0.2
57.03341	0.2
59.01264	39.3
60.01600	0.4
61.98717	10.5
71.01266	1.6
71.04935	0.2
72.99210	0.6
73.02842	0.2
83.01280	0.2
83.04919	0.2
85.02844	0.9
88.98692	0.4
89.02329	1.7
90.70451	0.2
96.95914	0.4
99.00768	0.3
99.04399	0.2
101.02358	2.0
113.02348	1.3
119.03423	1.4
119.04959	0.2
125.02374	0.6
129.56459	0.2
135.02989	0.3
137.02400	0.3
143.03438	0.3
161.04489	0.8
171.10240	1.4
179.05531	0.3
191.01933	0.2
191.03566	0.2
197.11823	0.2
202.02649	0.2
209.11855	2.8
210.12160	0.2
211.13467	0.3
221.06602	0.4
227.12856	1.0
227.53877	0.2
273.04114	0.4
274.04843	0.3
278.27655	0.2
309.20834	0.4
310.20993	0.4
315.01544	0.2
425.34439	0.3
441.33759	0.4
443.35251	0.8
445.20795	0.3
474.32938	0.3
475.28378	0.2
475.34146	1.7
476.34525	0.2
485.33276	0.3
486.32813	0.3
487.34381	100.0
488.34732	16.9
497.09802	0.3
503.33713	0.3
505.33817	0.2
529.35303	0.5
649.39636	2.3
650.40161	0.4
655.33160	0.3
709.23090	0.5
709.42963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.4
58.00461	0.9
59.01260	6.3
61.98705	1.7
69.46714	5.0
71.01274	5.9
73.02834	1.1
78.95783	0.8
79.86961	0.8
80.96415	0.9
83.04868	0.8
85.02847	1.3
87.00769	1.5
89.02334	3.2
97.06501	2.4
101.02326	4.7
113.02325	2.3
115.13757	0.7
151.11214	13.2
152.11571	0.9
152.99551	1.8
169.12291	100.0
170.12634	5.2
179.05615	0.8
195.10184	2.5
211.13423	0.7
211.49007	0.9
213.11311	12.6
214.11497	0.9
235.08145	1.8
253.09325	3.1
255.23409	1.6
275.78860	0.8
277.21768	24.6
278.21973	2.1
431.19266	3.0
449.20367	7.2
494.95941	1.0
709.41791	99.8
710.42120	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79391	0.8
53.97616	0.7
57.03323	1.9
59.01251	5.9
61.98716	5.7
68.29139	0.7
69.03346	0.8
71.01269	4.7
71.06680	1.5
71.07048	1.2
73.02840	0.7
73.32952	0.6
78.95797	1.9
80.96386	1.1
83.04912	2.1
84.01522	0.7
85.02833	2.0
87.00746	1.7
89.02322	2.1
90.75168	0.6
95.04927	1.8
97.06484	6.4
101.02335	4.0
113.02342	1.7
134.97385	0.7
149.09628	0.8
151.11218	18.7
152.99507	2.7
161.04472	1.2
163.11174	0.7
169.12289	44.4
170.12657	2.5
171.10217	0.7
195.10278	3.7
202.48650	0.7
212.64027	0.7
213.11345	5.8
235.08205	1.6
253.09233	3.4
255.23239	1.9
277.21774	52.3
278.22128	5.2
431.19342	2.9
449.20148	1.7
477.65305	0.7
546.98102	0.7
691.39520	1.0
709.41791	100.0
710.42041	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	709.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35937	0.3
57.51287	0.3
59.01263	41.4
60.01591	0.5
60.08568	0.3
61.98714	3.8
65.87319	0.3
69.39951	0.3
69.97924	0.4
71.01266	3.1
71.04847	0.9
72.99206	0.6
73.02844	0.5
75.00744	0.7
78.95809	0.6
83.01291	0.8
83.04905	0.4
85.02856	1.1
87.00753	0.5
89.02336	1.9
96.95895	1.1
99.00780	0.5
101.02338	2.3
111.00810	0.4
113.02364	1.3
117.14445	0.3
119.03436	0.8
119.04955	0.7
123.04455	0.3
125.02354	1.0
135.02925	1.4
137.02351	0.6
151.00381	0.3
159.04503	0.5
161.04539	0.6
163.03995	0.5
165.01845	0.3
171.10202	0.4
174.03241	0.3
177.01909	0.5
178.99890	0.5
189.30591	0.3
191.03448	0.5
197.11934	0.4
202.02608	0.4
203.03526	0.4
209.11809	1.0
227.12794	0.4
231.02971	0.3
273.04056	0.4
283.97653	0.3
309.20810	1.1
310.21185	1.0
311.21487	0.8
315.01364	0.4
317.44867	0.3
384.97928	0.3
416.14975	0.5
425.34018	0.4
427.32211	1.0
443.35718	0.4
455.32327	0.4
469.33362	8.2
470.33490	0.8
487.34381	100.0
488.34732	15.6
505.34396	0.6
513.31769	0.4
515.29895	0.5
649.39532	9.7
650.39746	1.8
667.38806	0.8
709.24060	1.8
709.42749	2.4
710.23657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	67.3
61.98712	48.2
68.67252	8.6
71.01254	26.7
71.56912	12.4
78.95805	13.9
85.02840	11.0
89.02344	21.3
96.95892	15.0
101.02338	24.9
113.02352	23.7
152.99332	9.7
199.00731	9.4
199.09627	22.0
208.50917	9.1
223.13330	19.3
277.21777	61.6
291.85861	11.0
329.16132	8.9
397.13559	100.0
415.14539	69.3
686.94501	11.8
711.33984	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
58.00484	1.7
59.01263	24.4
61.98713	3.1
67.04562	0.4
69.03342	1.6
70.63224	1.5
71.01266	25.1
71.62445	0.4
72.66300	0.4
72.99210	1.9
73.02833	3.7
73.37454	0.5
75.00790	0.6
76.01919	0.4
79.38598	0.4
81.03362	1.3
83.01257	2.1
85.02838	4.6
87.00757	4.1
89.02333	23.8
93.03342	0.5
95.01288	1.7
96.95924	0.6
97.02841	3.8
99.00793	1.6
101.02338	16.8
103.03856	0.5
109.02846	0.7
111.04438	0.5
113.02348	9.2
115.03970	0.5
119.03387	6.6
125.02362	7.8
131.03410	1.4
133.04984	1.0
139.04013	0.6
143.03404	2.9
149.04459	0.6
161.04474	4.5
179.05562	4.8
198.86919	0.4
218.49448	0.4
221.06705	1.5
223.13411	1.6
235.08237	9.0
235.10449	0.8
241.90544	0.5
253.09319	1.8
253.21748	59.0
254.22070	3.2
263.07709	1.0
277.21768	13.0
278.22162	1.0
287.07767	3.1
305.08865	3.1
323.09869	1.4
353.71783	0.5
379.12433	0.8
383.64972	0.5
397.13565	100.0
398.13904	7.6
415.14645	30.6
416.14978	1.8
651.35944	4.1
652.35663	0.6
675.36243	2.8
711.33746	16.8
712.33966	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	712.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.6
59.04004	0.1
61.98714	100.0
62.98417	0.2
62.99122	0.1
65.64216	0.1
78.95808	0.1
104.22077	0.1
105.41071	0.1
112.75434	0.1
117.03402	0.2
119.05016	0.1
131.90933	0.1
134.96097	0.1
145.02872	0.8
161.02402	0.1
164.14996	0.1
180.29625	0.1
183.34898	0.1
223.13429	0.2
227.16145	0.1
229.33167	0.1
291.19876	0.1
309.20819	0.1
314.54428	0.1
315.47900	0.1
470.99704	0.1
542.03931	0.1
618.23004	0.1
649.37738	1.4
650.38019	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10880	0.1
59.01260	0.2
61.98716	100.0
62.98412	0.1
69.31736	0.4
69.32156	0.4
70.29182	0.1
91.58698	0.1
96.95888	0.2
98.72637	0.1
129.90639	0.1
141.63669	0.1
145.02919	0.4
145.67891	0.1
159.28041	0.1
216.58542	0.1
385.52078	0.1
518.48608	0.1
610.22913	0.1
649.37384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91236	0.4
51.95461	0.5
54.38153	0.5
55.01756	0.7
56.98496	0.4
57.03317	0.9
58.00477	1.9
59.01267	32.6
61.98714	2.7
67.35713	0.5
69.03335	2.1
71.01270	28.5
72.99200	2.5
73.02838	4.9
75.00745	0.7
81.03347	1.5
83.01289	3.1
85.02843	5.7
86.25958	0.5
87.00771	6.5
89.02341	27.6
95.01266	1.8
97.02844	5.5
98.19608	0.4
99.00761	1.4
100.67507	0.5
101.02351	20.8
102.02628	0.6
109.02842	0.5
111.04447	1.0
113.02356	11.2
119.03425	7.4
122.45612	0.5
125.02364	10.2
131.03412	1.7
133.05023	1.2
139.00777	0.4
139.03978	0.7
143.03447	4.2
161.04491	4.8
161.05710	0.7
169.04967	0.5
179.05594	4.9
217.07100	0.7
221.06612	1.2
235.08250	10.7
253.09274	2.2
255.23332	81.8
256.23654	7.1
277.09143	0.7
287.07751	3.4
305.08777	3.9
323.09836	1.1
379.12585	0.9
397.13583	100.0
398.13904	8.5
415.14642	29.5
416.14771	2.3
653.37787	6.1
683.84137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4755
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
53.40930	0.3
57.11303	0.2
59.01264	1.3
66.01511	0.3
69.46762	0.2
80.19512	0.3
83.04908	0.5
89.02321	0.4
101.06107	0.2
119.04901	0.3
121.02886	0.4
125.02360	0.4
135.04456	0.3
162.55566	0.3
163.03891	0.3
179.03421	0.3
225.16084	0.6
301.54813	0.3
422.41092	0.3
529.01526	0.4
640.03943	0.3
653.38940	0.4
677.50159	2.7
713.47516	100.0
714.47821	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	715.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.9
68.43717	0.5
71.56423	0.6
81.08472	0.5
88.98687	0.9
107.01276	1.0
109.02882	1.1
119.04974	0.6
124.01570	1.7
125.02333	0.7
137.02377	2.1
145.88120	0.6
147.04462	3.6
151.00276	4.7
158.86057	0.5
163.00340	1.1
164.01022	0.9
165.05583	2.8
178.99800	3.7
207.06607	1.9
214.02704	3.0
242.02161	2.5
243.02979	1.8
259.02493	3.1
270.01807	5.4
271.02533	24.0
272.02780	1.9
286.99115	1.0
287.02048	12.3
288.02637	1.4
301.10995	0.6
316.02289	73.6
317.02930	18.1
318.03174	0.8
463.08917	100.0
464.09262	10.7
530.47693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70975	0.4
57.03317	0.4
57.52038	0.4
59.01212	1.7
60.27925	0.4
61.98695	1.0
66.53847	0.4
71.01218	1.3
72.99152	0.5
73.02803	0.5
75.00723	0.8
79.95566	0.5
83.01256	0.5
85.02821	0.7
89.02324	0.5
96.95869	1.6
101.02298	0.6
107.01289	0.5
109.02811	0.8
113.02296	0.6
119.04861	1.4
120.01172	2.2
121.02831	0.5
125.02312	1.3
135.02864	0.9
135.04388	1.5
137.02324	0.8
151.00278	0.9
152.01018	0.5
153.01823	0.5
161.02415	0.6
163.03963	0.7
175.03876	0.6
177.01765	0.6
177.88823	0.4
178.99786	0.8
179.03410	0.9
183.10185	0.7
197.00533	0.6
197.02191	8.1
239.03455	0.5
338.41425	0.5
375.05103	0.8
377.28543	1.4
406.28397	0.7
407.29593	3.0
409.27484	0.6
425.30426	0.7
447.09354	0.5
451.28705	5.1
452.28986	0.8
465.04587	1.6
469.29639	11.8
470.29880	1.1
487.30432	2.3
499.30701	2.5
500.31003	0.7
507.73022	0.5
517.31799	100.0
518.32184	15.6
583.07428	1.3
701.46796	0.5
715.34912	23.7
716.35144	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	716.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.5
60.01605	0.1
61.01704	0.1
61.98715	100.0
62.98422	0.2
71.01268	0.3
72.01600	0.1
73.02842	0.1
82.95313	0.1
85.02858	0.1
85.48090	0.1
86.22259	0.1
87.00808	0.1
89.02341	0.4
90.02679	0.1
97.02868	0.1
98.19791	0.2
101.02371	0.3
102.02670	0.1
108.71523	0.1
113.02376	0.1
123.66230	0.1
125.02342	0.1
126.02670	0.1
127.02789	0.1
145.02898	0.1
230.35411	0.1
236.08417	0.1
255.23334	0.5
256.23709	0.5
257.23962	0.2
258.24326	0.1
372.23178	0.1
397.13712	0.2
398.13965	0.4
399.14108	0.6
400.14328	0.3
415.14417	0.1
416.15103	0.1
417.15155	0.2
418.15497	0.2
493.28619	0.1
507.89130	0.0
656.37994	0.1
717.24634	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42522	0.5
57.18793	0.4
59.01262	100.0
60.01612	0.6
61.98725	1.4
65.27013	0.4
75.28149	0.4
78.95800	1.5
83.96228	0.5
89.79492	0.5
129.68478	0.5
139.68173	0.4
141.88364	0.5
145.02884	0.7
146.03247	0.7
172.75421	0.5
189.68687	0.4
209.11919	1.1
259.53699	0.5
277.21719	2.8
278.22189	1.2
287.70508	0.6
401.88327	0.4
438.09711	0.9
441.15768	1.1
444.04120	0.6
452.11243	1.0
453.12128	1.4
457.18881	2.0
459.16779	2.0
467.13681	1.8
473.18625	0.6
480.14981	0.9
481.10458	2.8
482.11700	0.8
495.11951	0.6
495.17578	1.4
496.13910	14.8
497.14560	10.0
498.15375	2.6
500.17645	0.7
509.14670	1.4
510.15482	4.3
511.16245	8.0
512.17139	4.8
513.17981	3.9
514.18542	1.0
523.16455	0.7
524.16272	0.5
528.12732	0.9
530.14655	1.4
538.14948	1.5
539.19012	2.5
540.20197	0.5
542.14703	0.9
544.15991	5.8
545.16455	2.6
553.17389	1.1
567.18915	8.1
567.27441	0.7
568.19220	1.8
570.17682	1.8
571.18414	9.4
572.18872	1.8
583.18445	1.3
589.19604	1.7
597.20471	3.3
598.20532	3.6
599.21576	30.5
600.21979	6.0
602.16638	2.0
614.20288	0.6
625.19159	1.0
630.19891	2.2
631.20880	1.1
643.20557	0.7
657.22205	14.1
658.22272	3.7
717.24286	85.4
718.24603	19.8
718.34546	0.4
730.11328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
58.00478	3.6
59.01263	84.6
60.01609	0.7
60.15415	0.7
61.98704	1.3
70.73221	2.3
71.01268	76.3
72.01591	0.9
72.99196	7.4
73.02843	0.9
75.00765	1.1
75.80183	0.7
78.38322	0.7
85.02842	8.9
85.03302	1.0
85.55208	0.8
87.00774	1.9
89.02337	100.0
90.02686	1.2
93.03362	4.1
95.01292	0.9
96.40520	0.7
96.95944	1.3
97.91486	0.7
99.00751	1.0
101.02329	8.0
108.02117	0.9
113.02363	9.2
118.98026	5.5
119.03420	2.2
119.04934	2.0
121.02881	7.8
122.03647	16.2
123.04461	1.1
125.02361	1.5
131.03419	11.8
132.02086	2.0
133.02881	2.2
135.02911	1.8
135.04480	1.2
136.01598	2.5
137.02451	0.9
149.02390	40.1
149.04456	16.6
150.03165	99.3
151.03629	2.8
158.01697	0.6
160.01611	2.8
161.02379	0.8
163.03960	2.0
164.04742	7.9
164.68175	0.8
165.05519	95.7
166.05833	3.9
175.03941	0.8
177.01860	1.1
179.03432	0.7
180.04286	8.0
183.82735	0.7
192.47675	0.7
192.50572	0.8
195.06599	80.2
196.06935	3.8
242.09584	1.8
256.41641	0.7
257.11877	2.6
270.09042	3.8
281.04959	0.8
282.08994	1.2
285.11334	4.9
295.09894	1.5
298.08514	5.1
310.08630	1.8
311.09290	3.3
313.10880	4.5
314.11462	0.9
323.09460	1.3
324.10248	2.0
325.10895	5.6
325.14520	1.5
326.08008	3.9
326.11685	2.8
327.08823	1.0
339.12317	1.5
340.13202	3.0
341.10367	40.8
342.10748	4.3
356.12738	22.0
357.13406	4.3
371.15060	86.2
372.15460	8.7
441.13156	0.9
504.17807	2.1
519.20325	46.3
519.32941	1.2
520.20685	6.7
567.22467	2.1
585.23553	1.7
717.27301	7.6
718.28339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
60.97530	0.6
65.44995	0.7
71.01249	1.3
71.12483	0.7
71.57426	1.0
73.02838	4.2
74.06729	0.7
75.00761	2.0
87.00759	8.3
89.02310	0.8
115.57217	0.8
117.01843	12.5
117.03352	4.2
130.85394	0.7
134.03653	47.5
135.02913	8.7
135.03996	2.2
137.02350	1.6
146.31657	0.7
149.05994	6.2
169.55074	0.8
175.04039	0.7
178.02702	4.9
193.05025	100.0
194.05324	5.1
230.23586	0.8
263.99548	0.8
311.04230	1.7
311.07776	27.9
312.08160	1.6
345.43839	0.9
417.50449	0.8
605.92310	0.8
613.84583	1.0
694.29132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01265	4.7
61.98714	16.6
71.01266	3.4
71.56840	0.9
78.95789	1.1
81.03347	1.3
83.04916	3.1
85.02842	1.1
85.78443	0.9
87.00786	1.4
89.02339	2.3
93.30906	0.8
96.95899	3.9
101.02348	2.6
108.72066	0.7
109.02888	1.5
110.60725	0.8
113.02408	1.1
124.34219	0.7
125.02383	1.1
137.02321	1.0
161.04529	2.0
163.11235	2.3
165.12820	1.0
171.10202	2.7
183.12428	0.9
183.13866	5.7
193.12283	1.5
209.11810	72.9
210.12152	4.9
211.13379	100.0
212.13747	5.6
227.12856	11.4
228.13173	1.2
235.08258	2.7
253.09250	6.5
329.13669	1.1
369.00989	0.8
445.20810	1.8
447.22217	6.4
448.22583	1.5
639.33569	0.9
657.34973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90581	0.2
55.01770	0.5
59.01263	5.5
68.99711	0.4
69.03339	0.3
69.37566	2.1
69.37888	0.4
71.01271	2.1
71.04914	0.3
72.99209	0.3
73.02836	2.2
83.01267	0.6
83.04910	4.3
85.02835	0.6
86.78754	0.3
87.00842	0.2
91.13564	0.2
95.04911	0.2
97.06506	0.5
98.64384	0.2
101.02346	3.6
113.02346	1.0
117.12799	0.2
121.06467	0.2
125.02358	0.7
131.03377	0.3
135.08057	0.3
137.02335	0.2
143.03430	0.4
151.00359	0.2
152.19653	0.2
155.03427	0.3
187.11203	0.2
190.34749	0.2
203.05608	0.9
205.12347	0.5
309.22272	3.4
310.22510	0.4
311.23691	0.4
338.22354	0.4
339.23456	2.2
340.23938	0.3
362.41302	0.2
375.26898	2.5
377.28668	0.5
387.26785	1.4
388.27478	0.3
389.24731	0.6
393.28085	0.3
395.25983	0.8
403.26544	0.8
404.27274	6.8
404.32181	0.2
405.28055	7.0
406.28384	1.0
407.25983	0.7
409.27673	0.3
413.27289	0.3
419.25882	0.7
420.26669	0.3
421.27570	0.6
423.29172	1.4
424.29205	0.3
437.26965	1.2
438.27322	0.4
443.28067	0.3
448.53824	0.3
449.27039	12.2
450.27316	1.9
455.27756	0.4
463.28586	0.4
467.28195	5.7
468.28320	1.1
471.31152	0.5
481.29727	0.9
485.29239	1.8
486.29779	0.3
497.29166	7.7
498.29358	1.1
499.30994	0.8
509.29208	0.8
515.30212	100.0
516.30560	17.3
519.32788	0.3
527.30432	1.6
528.30304	0.3
529.31934	0.6
557.31390	0.8
558.87231	0.3
562.54071	0.2
599.32898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11400	0.2
55.01770	0.3
57.03335	0.2
59.01263	4.2
61.98715	0.4
64.10579	0.2
69.03343	0.4
69.77126	0.2
71.01260	1.9
71.04904	0.4
71.05379	0.3
71.05719	0.2
72.99171	0.3
73.02834	0.8
75.00761	0.3
83.01260	0.3
83.04916	3.5
85.02835	0.6
89.02325	0.3
90.61073	0.2
93.03338	0.2
96.95905	0.7
97.02838	0.5
99.00810	0.2
99.04428	0.3
101.02351	2.1
109.02833	0.3
113.02364	1.0
115.05405	0.2
119.04919	0.4
120.99564	2.9
125.02356	1.3
135.02942	0.4
135.04422	0.5
137.02376	0.5
143.03441	0.5
149.04547	0.3
150.03165	0.2
151.00273	0.6
151.03880	0.2
155.03383	0.3
161.02341	0.3
163.03929	0.2
165.05545	0.3
165.90300	0.2
166.89207	0.2
167.03448	0.2
171.91837	0.2
177.05608	0.2
178.99841	0.5
185.11807	0.3
195.06599	0.3
203.05553	0.7
203.07314	0.2
205.12398	0.2
209.11800	0.9
211.13443	0.2
223.11320	0.2
227.12886	0.7
229.10800	0.7
235.90683	0.2
239.03485	0.4
241.05380	0.3
246.15855	0.2
289.07181	0.4
295.02628	0.3
299.78775	0.2
309.22189	1.4
310.22543	0.2
311.23883	0.6
326.04425	0.3
339.23340	3.5
340.23599	0.4
375.27267	1.0
377.28595	0.9
387.26920	0.5
389.25000	0.2
391.15378	0.3
403.26346	0.7
405.28082	4.7
406.28293	0.7
407.25882	0.7
419.25928	0.3
421.27457	0.6
423.29135	0.4
437.26953	0.6
443.28107	0.5
449.27039	7.1
450.27451	1.2
453.15671	0.8
463.28549	0.8
464.28992	0.3
467.28146	1.6
468.27829	0.2
469.29453	0.3
471.31375	1.7
472.31985	0.3
481.29633	0.7
485.18314	0.3
489.10455	1.3
497.29156	9.4
498.29562	1.2
503.30121	0.3
509.28992	1.3
515.30212	100.0
516.30554	15.5
521.33997	0.3
527.30182	2.9
528.30615	0.7
529.31763	0.6
539.30280	0.3
557.31384	0.8
573.19916	0.2
587.31879	0.3
647.23712	0.3
663.13727	0.3
719.26550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01262	7.7
61.98698	0.9
69.03342	0.7
71.01270	3.6
71.27441	0.7
72.99186	0.4
73.02846	2.0
76.50091	0.4
78.26417	0.4
83.01281	0.9
83.04933	2.3
83.17175	0.4
85.02837	1.3
87.00751	0.4
89.02334	0.7
93.03356	0.4
96.95914	1.6
97.02856	0.7
99.00774	0.5
101.02348	3.6
107.01302	0.5
109.02872	0.6
113.02350	1.0
115.72578	0.4
116.92775	0.7
119.04971	2.3
120.99568	100.0
121.99960	1.9
125.02361	2.3
135.02913	0.7
135.04442	0.9
137.02388	0.7
143.03459	0.4
143.09767	0.4
150.03177	0.5
151.00331	1.4
151.03874	0.4
152.01083	0.7
161.02361	1.0
163.03920	1.6
165.01921	0.5
165.05605	0.5
169.01369	0.4
173.62764	0.4
175.03972	0.5
177.01851	0.6
178.99820	1.2
179.03464	0.6
193.01363	0.7
203.05617	0.7
233.39850	0.4
241.05414	0.4
289.07349	0.7
323.23813	0.5
339.23325	1.8
340.73636	0.4
377.28720	0.4
386.07562	0.7
405.28214	1.0
417.28033	0.8
419.26016	0.7
423.29330	1.0
449.26984	5.1
450.27655	0.6
463.24976	1.3
467.28070	0.9
469.29462	0.6
471.31250	8.2
472.31564	1.2
479.27676	0.8
497.29175	7.5
498.29404	1.2
509.29254	0.5
513.32239	1.4
515.30243	77.0
516.30566	13.0
516.38330	0.7
519.33429	0.5
551.20947	0.5
573.19745	1.0
581.08990	0.6
663.13745	1.1
719.37231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.0
57.51691	0.3
59.01255	3.5
63.02277	7.2
65.00205	8.4
65.03825	0.3
67.01752	0.4
68.54899	0.3
69.03340	1.1
69.69876	1.7
71.01267	1.1
71.04910	0.3
73.02825	0.6
78.50037	0.3
79.68282	0.3
81.03349	1.7
83.01272	10.6
85.02847	1.0
89.02322	0.5
93.03380	1.5
95.01274	0.9
95.04913	0.6
96.95895	0.7
97.02871	1.6
97.43052	0.3
98.19866	0.4
99.04389	1.4
101.02353	1.4
103.05408	0.3
105.03376	0.3
107.01292	18.3
108.02140	0.4
109.02865	1.9
111.00811	0.6
113.02333	0.7
113.06009	0.3
117.03343	0.6
119.01285	0.3
119.04934	2.4
121.02871	1.6
123.00812	0.5
123.04436	1.0
124.01576	2.8
125.02364	17.3
126.02694	0.6
130.04173	0.4
131.04906	0.5
133.02864	0.9
135.00816	1.0
135.04478	0.8
137.02370	13.8
138.02829	0.4
139.03908	0.9
143.04959	0.7
145.02867	1.0
145.06523	0.5
146.03665	0.4
147.00856	0.3
147.04471	0.6
149.02365	2.3
151.00302	53.1
152.00960	2.7
153.01814	1.1
155.05031	0.4
158.03688	0.5
159.04466	2.1
161.02411	1.8
163.00349	2.8
163.03970	2.5
164.01091	2.4
165.01888	4.2
165.05489	0.3
166.02621	0.4
166.06375	0.3
167.03448	9.2
167.04843	0.5
169.01381	10.4
170.01680	0.3
171.04521	0.6
172.05283	0.4
173.02396	1.1
173.06024	2.6
174.03200	1.4
175.03882	1.6
176.01106	1.1
177.01897	4.9
178.99817	57.5
180.00151	2.4
181.01314	0.3
181.08612	0.4
182.03651	0.3
183.04471	3.7
184.04967	0.4
185.00897	0.4
185.02429	1.0
185.06068	1.0
186.03214	0.3
187.03958	2.9
188.04581	0.4
189.01909	1.9
189.05511	0.8
190.02605	0.5
190.99855	0.6
191.03444	1.5
192.00595	1.7
193.01398	14.4
193.05040	0.7
194.01849	0.6
195.02869	0.3
195.04459	1.2
197.02380	0.7
197.05881	0.4
198.03212	1.3
199.03972	3.4
200.04677	0.6
201.01917	1.0
201.05544	8.9
202.02672	0.7
202.05789	0.3
203.03470	3.8
205.01404	6.5
206.01938	0.5
207.02960	5.2
207.04773	0.4
208.03447	0.3
209.00919	0.3
209.06053	0.4
210.03259	0.4
211.03990	10.7
212.04727	2.6
213.01970	2.9
213.05515	3.0
214.02692	3.2
215.03476	7.2
216.03934	0.4
217.01416	1.4
217.04964	0.5
218.02029	0.4
219.02908	2.8
219.04742	0.3
221.06215	0.4
222.03233	0.5
223.04063	1.0
224.04688	0.8
225.02078	0.6
225.05542	1.3
226.02687	1.1
226.06192	0.4
227.03496	9.7
227.06944	0.5
228.04239	7.0
229.01550	3.6
229.05035	10.2
230.02185	0.9
230.05441	0.7
231.02950	3.3
231.06622	0.7
233.00929	1.5
233.06131	0.4
235.04053	0.6
235.07706	0.3
236.04849	0.5
237.01959	0.8
237.05608	1.7
238.02696	1.1
238.06244	0.6
239.03500	7.9
239.07118	1.0
240.04105	1.6
241.01352	0.8
241.05028	3.6
242.02263	2.6
242.04562	0.3
242.05725	0.5
243.02975	10.1
244.03601	0.4
245.00911	0.5
245.06262	0.6
247.02461	3.7
247.07600	0.6
248.04843	0.5
249.05713	1.9
250.02759	0.4
251.03516	4.7
251.07082	0.7
252.04335	1.3
253.01448	0.7
253.05061	2.5
254.02086	0.4
254.05829	1.7
255.03012	6.9
255.06641	3.7
256.03760	7.1
257.04526	8.1
258.04965	0.7
261.05634	1.4
262.06393	0.7
263.03531	0.9
263.07068	1.5
264.04330	1.4
265.01788	0.7
265.05093	4.5
266.02179	1.0
266.05716	1.4
267.03036	6.3
267.06601	2.2
268.03494	1.0
269.04556	2.5
270.05283	0.4
271.02710	0.3
271.06238	0.6
272.04880	0.4
273.05551	1.3
275.01999	1.5
275.07248	0.7
277.05182	2.4
278.05658	0.9
279.03058	2.5
279.06619	2.0
280.03711	1.3
280.06906	0.3
281.04651	7.1
281.07941	0.8
282.05038	0.8
283.02524	3.2
283.06107	1.7
284.03140	0.8
285.04083	0.6
288.04266	0.6
289.05038	2.3
290.05902	1.0
291.03299	0.4
291.06647	2.5
292.03702	1.0
293.00940	1.0
293.04532	5.4
294.05200	1.2
295.02811	0.6
295.06116	2.0
296.03339	0.5
297.04242	0.6
297.07672	0.5
298.04919	0.6
299.05649	2.1
301.05032	2.6
302.05817	0.6
303.03131	0.5
303.06573	0.8
304.03812	0.9
304.07330	0.4
305.04605	3.6
305.08347	0.9
306.05319	1.6
307.02493	0.9
307.06168	3.2
308.03262	0.9
308.06680	0.5
309.04099	1.9
309.07806	1.0
311.02231	0.7
311.05707	1.5
315.01215	0.5
315.06650	0.5
316.03806	0.7
317.04596	4.7
318.05295	1.7
319.02454	1.1
319.06161	2.5
320.03204	1.0
320.06607	0.4
321.04086	5.7
321.07733	0.5
322.04694	1.1
323.05670	3.8
323.09290	0.7
325.03558	1.3
325.07266	0.9
326.04019	0.3
329.04590	2.0
330.05179	0.4
331.02689	0.4
331.05966	1.4
332.03177	0.5
333.04047	4.0
333.07761	1.8
334.04822	1.9
335.05682	3.9
336.06204	0.7
337.03589	2.2
337.07300	0.9
338.03952	0.3
343.06058	0.5
344.03171	0.4
345.04065	5.8
345.07932	0.6
346.04822	1.9
347.05768	2.7
348.02780	0.9
349.03546	4.2
349.07266	0.5
350.04367	10.1
350.08585	0.7
351.05112	10.4
352.05682	1.8
353.03018	0.8
353.06870	0.5
355.04880	1.3
357.04141	1.4
358.04623	0.4
359.05554	1.4
361.03485	3.5
361.07166	0.5
362.04321	2.6
363.05151	21.1
364.05807	2.3
365.03030	1.0
365.06995	0.4
366.03766	2.3
367.04617	10.2
368.04962	1.0
369.06226	1.1
372.02725	0.4
373.03592	5.6
374.04227	1.5
375.05176	3.2
376.05994	0.3
377.02988	0.9
377.06879	6.9
378.03293	0.4
378.07468	0.5
379.04578	5.4
380.05481	2.8
381.06165	6.5
382.06659	0.6
385.03448	0.9
387.05145	1.5
389.03055	1.9
390.03845	4.4
391.04620	17.3
392.05106	1.7
393.02225	0.7
393.06836	0.4
395.03748	1.6
400.02524	0.4
401.02933	8.0
402.03479	1.1
403.04684	2.3
407.04108	3.7
408.04794	3.0
409.05698	19.0
410.06146	1.5
413.02921	1.8
414.03708	0.6
417.02563	0.9
418.03293	3.9
419.04153	100.0
420.04474	11.0
421.05615	0.9
423.06967	0.4
429.06122	1.2
431.04065	4.8
432.04880	0.4
435.03732	0.8
436.04391	2.6
437.05194	10.9
437.30447	0.4
438.05331	1.1
443.07938	0.5
445.05408	0.5
448.04459	0.3
449.05347	1.4
453.06033	1.0
454.06345	0.4
469.29758	0.6
471.07214	0.9
473.05582	0.5
473.32864	1.0
485.08716	1.2
489.08337	1.3
491.06189	1.1
495.07074	0.8
497.10962	4.8
498.11615	0.5
499.30838	1.8
503.10068	0.5
510.17599	0.3
511.06708	0.7
513.08295	2.6
517.31805	13.2
523.12695	0.8
524.13013	0.4
529.08038	1.7
531.09503	3.9
532.09448	0.4
539.06287	3.5
540.06354	0.6
547.08746	0.6
553.10010	19.9
554.10468	2.4
555.11554	3.8
556.12042	0.4
557.07330	18.5
558.07617	2.3
559.32654	1.6
565.10022	10.4
566.10156	1.6
575.08392	80.4
576.08783	10.3
577.09821	1.1
583.11035	33.2
584.11267	3.7
595.11224	0.6
599.08466	0.5
637.12671	0.4
677.15332	0.9
685.12488	0.6
693.14294	0.8
703.13165	6.9
704.13580	1.1
721.14197	43.3
722.14459	7.7
722.27002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72791	0.9
57.03322	2.1
59.01236	1.3
63.02274	7.6
65.00201	8.0
69.03314	0.8
69.52271	5.6
73.02840	0.9
74.42574	1.0
74.52000	0.8
81.03335	1.8
83.01271	7.1
93.03398	1.2
97.02834	0.9
101.02334	1.2
105.51546	0.7
107.01292	14.9
109.02852	1.2
121.02856	1.0
124.01600	2.6
125.02363	12.8
137.02388	11.1
149.02342	1.8
151.00308	45.5
152.00922	3.3
159.04399	1.0
161.02353	1.4
163.00235	1.8
164.01067	2.6
165.01839	2.4
167.03452	8.0
167.04750	1.3
169.01422	6.3
173.06013	2.1
174.03093	1.5
175.03920	1.6
176.00989	1.9
177.01909	4.5
178.99817	51.1
180.00171	1.4
183.04468	3.6
187.04015	2.8
189.01894	0.9
191.03479	1.1
192.00635	1.4
192.03978	0.8
193.01375	12.5
195.04449	1.2
199.03944	3.4
201.05577	5.7
203.03429	3.0
205.01408	7.0
207.02974	4.1
209.05981	1.2
211.03961	9.5
212.04686	1.8
213.01956	2.4
213.05511	2.6
214.02644	3.0
215.03481	7.6
216.03990	1.0
219.02975	2.5
223.04036	0.9
225.05460	1.0
227.03494	8.5
228.04280	6.0
229.01370	2.6
229.05042	7.6
231.02867	2.6
233.06316	1.0
235.03940	0.9
237.05383	1.5
239.03560	6.4
240.04045	1.3
241.05026	2.2
242.02202	1.3
243.02988	8.3
247.02444	3.0
249.05566	1.6
251.03503	4.8
252.03999	1.7
253.05119	1.0
254.05894	1.8
255.03125	5.5
255.06601	3.2
256.03827	4.9
257.04465	5.9
258.05026	1.1
260.04550	0.8
263.07458	1.1
265.05023	4.1
266.01898	0.9
267.02997	5.7
267.06549	1.6
268.03558	1.0
269.04492	2.2
273.05679	1.4
275.02039	1.2
277.05142	1.4
279.03116	1.3
279.06531	1.4
280.03879	1.7
281.04651	5.8
283.02457	2.4
283.06058	1.5
289.05066	2.9
290.05981	1.4
291.03342	0.9
291.06790	2.5
293.04581	3.8
295.05844	1.3
297.04092	1.1
299.05630	2.7
301.04996	1.7
305.04523	3.1
307.06046	2.4
309.04138	2.0
311.05652	1.4
317.04550	2.6
318.05103	1.1
319.06259	2.7
321.04120	4.5
323.05716	4.6
325.03574	2.2
329.04492	2.0
333.04092	3.7
334.05051	1.3
335.05591	4.0
337.03510	3.0
337.07349	1.2
345.04095	5.5
346.04733	1.0
347.05783	1.9
349.03506	3.8
350.04358	10.6
351.05142	10.3
355.04520	1.8
357.04138	1.3
360.06268	1.1
361.03616	3.1
362.04041	1.8
363.05219	17.5
364.05515	2.3
366.03894	1.8
367.04681	10.3
369.06076	1.2
373.03653	3.6
374.04163	1.3
375.05042	3.2
377.07028	5.0
379.04413	4.7
380.05310	2.1
381.06232	5.6
385.03751	1.3
387.05313	1.3
389.02991	1.2
390.03851	3.9
391.04626	15.9
392.05222	2.1
401.03033	7.4
402.03357	1.7
403.04510	1.8
407.04071	4.3
408.05127	2.5
409.05743	17.8
410.06113	1.4
413.03223	1.4
414.03918	1.0
418.03265	2.8
419.04156	100.0
420.04562	11.7
421.05539	1.1
429.05896	1.2
431.04001	3.1
436.04361	2.1
437.05084	10.9
438.05328	1.8
485.08920	1.6
497.10886	5.2
499.30469	1.2
513.08441	3.3
517.31946	4.3
529.07733	2.4
531.09283	5.8
539.06110	4.4
553.09991	23.1
554.10254	3.5
555.11719	4.4
557.07257	21.1
558.07599	2.6
565.10229	10.4
566.09985	1.8
575.08435	84.9
576.08752	16.7
583.11066	33.5
583.18274	0.7
584.11548	6.5
677.15424	1.1
703.13190	8.7
704.13397	1.7
721.14233	48.9
722.14771	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	721.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
59.00999	0.9
59.01268	10.9
59.39733	0.6
60.01592	0.6
61.98721	6.5
68.06920	0.6
69.03342	0.8
71.01274	6.5
71.04886	2.8
71.56021	1.3
73.02821	2.1
75.00759	1.1
76.09655	0.7
80.02573	0.8
80.96420	1.9
81.03332	1.9
83.01237	1.6
83.04923	3.8
83.05323	0.6
83.75723	0.7
84.02052	0.9
85.02832	2.4
87.00735	1.8
89.02329	3.7
95.01286	0.8
95.04907	1.9
96.95888	3.5
97.02841	3.6
97.06480	2.6
99.00777	14.8
101.02351	5.1
109.02815	1.0
109.06495	1.3
110.19317	0.7
113.02319	3.2
119.03433	1.5
119.04942	1.6
123.04441	1.3
123.08078	1.5
125.02348	3.8
125.05941	0.7
125.09627	7.1
133.02884	0.7
137.02359	1.9
142.02690	1.4
145.10129	0.8
151.00266	1.8
151.03940	1.3
161.02328	1.1
161.04480	1.5
162.02628	0.7
163.11238	11.8
165.01878	1.5
165.12762	1.7
167.03461	1.1
171.10201	4.6
177.01884	1.0
178.99757	0.7
181.10794	1.3
181.12286	16.2
182.12619	0.8
191.10678	0.7
197.11845	1.6
199.13374	10.3
207.10233	23.1
209.11815	41.5
210.12106	2.0
211.13489	0.8
225.11314	35.1
226.11578	2.7
227.12886	3.1
243.12373	19.8
244.12782	1.2
253.09389	3.2
289.07291	2.0
346.85098	0.7
363.94778	0.7
407.19070	0.7
419.03922	1.3
437.30603	0.9
451.28479	3.2
455.31439	1.2
461.20126	1.5
473.32150	0.9
479.21497	5.3
497.27484	0.8
499.30829	12.9
500.30927	1.9
517.31696	4.4
541.30811	0.7
671.32800	2.1
689.34015	100.0
690.34296	20.0
721.37561	10.3
722.37537	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	721.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06562	0.1
56.13412	0.2
59.01268	1.0
69.38470	1.5
69.38857	0.3
71.01269	0.2
71.04929	0.8
86.39886	0.1
98.47041	0.1
100.11987	0.1
101.02332	0.3
125.02374	0.2
152.63139	0.2
153.36603	0.2
169.82533	0.2
175.11237	0.2
186.09010	0.2
191.56862	0.2
306.78424	0.2
323.23712	0.3
324.38861	0.2
326.21457	0.2
375.27042	0.2
377.28546	1.3
378.28552	0.2
389.28506	0.3
391.26831	0.2
395.29425	0.4
406.28906	0.2
407.29645	2.2
408.29953	0.4
409.27637	0.8
421.27213	0.4
425.30820	1.0
439.28589	0.2
451.28647	7.8
452.29080	1.4
457.29898	0.2
469.29688	15.4
470.30063	2.5
487.30731	2.4
488.30893	0.3
499.30725	3.7
500.31256	0.5
517.31787	100.0
518.32153	17.2
607.41296	0.2
715.57172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01146	18.2
59.01668	0.7
61.98591	1.8
62.93237	0.3
69.25732	3.8
71.01140	2.3
71.01571	0.7
73.02708	1.3
80.96267	1.1
80.96690	0.6
83.01134	0.9
83.01580	0.3
85.02719	0.9
85.03198	0.4
87.00671	0.4
88.98605	0.6
89.02177	1.2
90.98377	0.6
94.97829	0.4
95.01156	0.6
96.95759	1.3
98.19769	0.6
99.00649	0.3
101.02179	3.1
101.35963	0.3
107.01176	0.5
109.02729	0.5
113.02164	1.5
119.03232	1.1
119.04821	0.5
125.02180	1.6
135.02774	0.5
135.04332	0.7
137.02170	1.0
151.00182	0.6
151.03802	0.4
161.04404	0.6
163.03758	0.5
171.10001	1.5
177.01773	0.8
177.05389	0.4
178.99605	1.0
179.03358	0.8
184.55162	0.3
209.11809	3.4
211.13145	0.5
225.00583	0.4
225.05702	1.2
225.11153	0.7
227.12605	0.6
315.01450	0.4
389.28467	0.6
391.04419	0.3
391.26349	0.5
405.27536	0.4
419.04071	0.8
421.27341	0.4
437.30817	1.7
444.89926	0.4
451.28616	37.9
452.28937	5.2
455.31674	1.6
465.30103	0.8
469.29547	6.1
470.29987	1.0
489.96017	0.3
499.30756	100.0
500.31116	17.3
511.30737	1.2
517.31958	3.0
518.32306	0.4
541.31934	0.6
559.32642	2.2
560.33167	0.4
606.38702	0.4
613.33728	0.6
631.35114	1.3
632.35193	0.4
661.36310	1.3
689.34644	0.5
721.38599	17.3
722.39087	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	721.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.3
59.01271	1.6
69.03344	0.3
71.01259	0.8
71.04907	0.4
72.99197	0.2
73.02847	0.7
83.01256	0.1
85.02868	0.2
89.02297	0.1
93.70853	0.1
96.95932	0.2
97.02838	0.2
98.19781	0.4
101.02366	0.6
101.78474	0.1
107.01286	0.1
113.02361	0.3
113.83149	0.1
125.02351	0.1
151.00299	0.2
151.03885	0.1
173.48007	0.1
178.99840	0.3
220.51329	0.1
252.65450	0.1
300.38660	0.1
312.40857	0.1
315.01480	0.2
327.04901	0.1
347.23917	0.2
363.27277	0.3
377.28522	0.6
379.30145	0.7
389.28555	0.4
391.30203	0.5
395.29672	0.1
397.31128	0.3
407.29657	2.8
408.29868	0.5
409.27054	0.4
409.31421	0.4
419.04129	0.2
419.29724	0.9
420.30307	0.2
421.27493	0.4
423.29245	0.3
425.30640	1.9
426.31180	0.2
433.27866	0.1
437.30750	1.0
438.30820	0.2
439.28571	0.2
451.28677	3.6
452.28864	0.6
455.31729	0.4
457.29852	0.3
465.26462	0.3
469.29602	1.8
470.30243	0.3
471.31168	0.3
481.29581	0.7
482.29413	0.2
487.30692	0.6
499.30801	7.5
500.31372	1.0
511.30939	0.2
517.31818	100.0
518.32159	17.8
541.32111	0.2
575.08612	0.3
576.09204	0.1
721.23328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61114	0.2
52.40040	0.1
57.03331	0.3
59.01264	2.5
61.98710	0.5
64.73774	0.2
69.03338	0.2
69.31144	1.9
71.01266	0.8
71.04914	1.1
73.02839	0.3
75.00758	0.4
80.96400	0.3
83.01286	0.4
83.04887	0.2
85.02814	0.5
89.02323	0.5
90.98455	0.3
96.95892	0.7
98.19853	0.4
101.02331	0.9
113.02361	0.3
119.03438	0.2
119.04923	0.5
123.04382	0.2
124.09521	0.2
125.02348	1.0
130.66608	0.2
135.02898	0.2
135.04451	0.3
137.02325	0.6
137.77707	0.2
151.00298	0.7
151.03896	0.3
163.03963	0.5
167.03394	0.2
171.10150	0.2
177.01959	0.2
178.99799	0.7
179.03479	0.3
193.01456	0.3
202.99933	0.2
209.11809	0.5
215.12611	0.2
225.00645	0.2
225.11359	0.2
312.68524	0.2
348.24854	0.2
353.24905	0.3
363.26923	0.2
377.28625	1.3
378.28790	0.2
379.30154	1.0
389.28726	0.4
395.29660	0.6
403.25961	0.2
405.28082	0.7
407.29630	3.6
408.29874	0.6
409.27542	1.0
419.03925	0.4
423.29324	0.5
424.29251	0.2
425.30890	1.6
451.28625	6.1
452.28989	0.9
455.31491	0.4
457.30020	0.7
469.29706	4.1
470.30026	0.6
471.31152	0.8
472.31531	0.2
473.32739	0.3
487.30441	0.4
499.30786	7.2
500.31094	1.6
515.30157	0.3
517.31799	100.0
518.32147	18.5
529.32281	0.3
575.08600	0.6
677.39117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87560	0.3
57.03319	0.4
59.01260	9.8
61.98715	3.7
69.03335	0.4
71.01266	2.3
71.04889	0.8
71.56647	0.4
73.02821	0.8
75.00775	0.5
79.95616	0.4
80.96387	0.4
83.01260	0.5
83.04916	0.4
85.02840	0.8
89.02298	0.7
93.03353	0.3
96.95933	1.6
101.02338	1.5
107.01263	0.4
109.06484	0.4
110.35589	0.3
113.02340	1.3
115.64292	0.3
119.04913	0.5
119.92989	0.3
120.99564	3.6
121.02841	0.4
123.04462	0.4
125.02373	1.9
135.02905	0.9
135.04401	0.4
137.02380	1.1
143.03389	0.4
151.00317	1.5
152.01088	0.3
159.22031	0.3
161.02327	0.7
161.04550	0.4
163.03957	0.8
167.03372	0.6
171.10182	2.4
175.11211	0.7
178.99797	1.3
179.03424	0.7
197.11777	0.3
209.11786	3.6
225.11273	1.0
227.12801	0.6
253.09386	0.6
276.82095	0.3
303.05762	0.4
315.01624	0.4
375.27112	0.6
377.28522	4.4
378.28735	0.4
379.30096	3.2
380.30453	0.5
389.28574	1.2
390.25574	0.6
391.26526	0.7
403.26334	0.4
405.28137	1.5
407.29620	21.7
408.29868	2.8
419.04254	1.1
421.27560	0.6
423.29120	1.6
425.30701	1.2
439.28720	0.5
451.18607	0.4
451.28622	4.1
452.28821	0.9
453.30042	0.5
457.30045	0.4
469.29651	1.8
471.31198	1.9
472.31604	0.6
473.33270	0.4
487.30807	4.7
488.31140	0.6
499.30786	3.6
500.30798	0.5
511.30563	1.0
517.31769	100.0
518.32111	16.6
529.31671	1.3
531.33087	0.5
541.31842	0.9
559.32788	0.6
575.08655	0.7
721.33160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03346	0.4
59.01263	35.9
59.03086	0.2
60.01608	0.7
61.98731	0.3
63.02281	0.5
65.00222	0.8
68.99700	0.4
69.03349	0.7
71.01270	4.0
71.04904	1.0
72.99203	0.7
73.02840	0.9
75.00757	0.5
76.07442	0.2
81.03349	0.4
83.01292	1.1
83.04920	4.8
84.05229	0.4
85.02839	1.3
87.00793	0.5
89.02337	1.5
93.03344	0.3
94.03688	0.3
94.91203	0.3
95.01293	0.5
96.95940	0.4
97.02877	0.6
99.00797	0.4
101.02346	4.2
102.02679	0.3
106.36250	0.2
107.01305	1.1
107.04900	0.3
109.02852	0.6
111.00789	0.3
113.02354	3.2
119.03429	1.8
119.04932	0.8
121.02905	0.4
123.04462	0.4
125.02374	2.4
126.02682	0.7
132.02121	0.3
133.02892	0.3
134.03694	2.1
135.02957	0.6
135.04500	0.4
137.02391	1.3
138.02763	0.6
143.03421	0.3
149.02397	0.3
149.06027	0.9
151.00307	3.6
152.00687	0.8
153.00749	0.7
153.01872	0.3
159.04411	0.3
160.01649	0.6
161.04485	0.9
163.03844	0.4
165.01939	0.5
167.03496	0.6
168.03755	0.3
169.01360	0.6
175.03941	0.7
177.01947	0.4
178.02716	1.5
178.99815	3.8
179.03378	0.5
180.00139	1.2
181.00296	0.5
185.00896	0.4
193.01335	0.9
193.05019	5.6
194.05440	0.3
199.03934	0.4
201.05486	0.5
202.02493	0.2
202.06096	0.2
205.01402	0.3
207.03142	0.3
211.03960	0.6
212.04514	0.5
215.03537	0.6
227.03473	0.4
229.05089	0.6
239.03494	0.5
243.02922	0.6
255.03072	0.4
256.03595	0.6
257.04333	0.9
258.04703	0.3
266.05499	0.3
281.04620	0.4
287.01736	0.3
289.07303	0.3
305.22821	0.9
315.13211	0.3
319.24390	0.7
321.03854	0.3
322.04620	0.3
323.05200	0.5
335.05145	0.4
345.03793	0.3
346.04599	0.3
347.04816	0.3
350.04276	0.7
351.04880	0.9
352.05203	0.8
353.05466	0.3
363.05032	0.8
364.05643	0.7
365.05823	0.8
367.04538	0.3
367.14020	0.7
368.04895	0.6
372.28033	0.3
373.28027	0.7
375.04214	0.4
375.27087	0.3
379.04440	0.3
380.04504	0.3
381.05780	0.6
382.06073	0.3
383.06622	0.3
387.26855	0.7
391.04178	0.6
391.29947	0.4
392.05014	0.7
393.05374	0.7
402.03448	0.3
403.04120	0.3
405.28146	1.6
407.29785	0.6
408.04907	0.4
408.30072	0.7
409.05432	0.7
409.30685	0.5
410.05948	0.5
411.06406	0.7
417.27960	0.7
419.04056	2.8
420.04498	3.6
421.04749	4.4
422.04755	0.4
423.29233	0.4
429.30200	1.0
430.30679	0.3
432.30374	0.4
438.05554	0.4
439.05792	0.4
447.30148	0.4
451.28601	0.9
453.29312	0.6
455.31229	0.4
457.32971	0.8
460.13913	0.3
471.31168	0.6
483.31299	9.9
484.31448	1.9
489.32071	0.5
499.30878	0.9
500.31113	2.5
501.32294	100.0
502.32645	15.7
515.34277	0.4
517.31799	10.0
518.32123	17.6
519.32605	39.4
520.32983	3.6
535.81525	0.3
537.32556	0.3
541.07104	0.3
543.33362	1.1
554.10248	0.6
555.10370	1.6
558.07916	0.3
559.07941	1.5
559.32898	0.6
560.33331	1.2
561.19464	1.2
561.33728	2.3
567.10736	0.4
571.18457	0.3
575.08746	0.7
576.08484	1.7
577.09003	5.2
578.09265	0.5
584.11322	0.6
585.11383	2.4
663.37396	2.2
705.13409	0.6
723.14490	4.0
723.40063	1.6
724.15332	0.9
724.39502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64174	0.2
59.01256	0.8
61.87503	0.2
64.79671	0.2
65.00195	0.2
69.54806	0.6
69.55218	1.0
71.01250	0.3
71.04908	0.9
75.79959	0.2
76.47293	0.2
83.01279	0.4
97.55280	0.2
98.19765	0.2
107.01344	0.4
125.02340	0.5
126.02653	0.3
136.49982	0.2
137.02319	0.3
151.00308	1.1
152.00693	0.3
152.10252	0.2
178.99823	0.8
180.00208	0.3
196.41533	0.2
197.84381	0.2
212.04265	0.3
228.03868	0.3
269.04575	0.2
293.04050	0.2
351.04938	0.3
357.89832	0.3
375.27072	0.5
377.28558	1.4
389.28598	0.5
391.30209	0.5
395.29642	0.4
407.29593	3.6
408.29886	0.4
410.05777	0.3
411.06393	0.3
419.03973	0.7
420.04306	0.7
421.04620	1.0
425.30695	0.4
435.28769	0.4
451.28870	0.8
453.30063	0.2
459.31339	0.8
475.34225	0.9
487.30801	0.3
501.32309	10.6
502.32651	1.6
519.33344	100.0
520.33685	16.7
559.06995	0.3
560.07086	0.2
561.34290	1.2
576.09100	0.3
577.09125	1.3
585.11810	0.6
624.79504	0.2
723.15076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18869	0.1
56.61880	0.1
58.20190	0.1
59.01262	1.2
71.01266	0.4
71.04916	0.8
71.40494	0.3
73.02847	0.2
73.62704	0.1
85.02853	0.2
97.55265	0.1
101.02319	0.4
138.94197	0.1
147.08026	0.1
156.55626	0.1
189.12837	0.2
251.20189	0.1
307.19199	0.3
325.20135	0.4
363.27188	0.2
371.31870	0.2
373.29120	0.4
375.26791	0.2
377.28732	0.3
379.29965	0.3
391.30148	0.7
393.28012	0.4
405.28036	0.2
407.29642	0.8
409.31403	1.1
411.29318	0.2
415.14563	0.2
423.28763	0.2
425.30771	0.1
427.31961	0.4
435.29352	0.3
453.30045	0.2
457.33533	0.2
459.31265	0.4
473.33047	0.2
501.32330	6.1
502.32959	0.8
518.32025	0.3
519.33331	100.0
520.33685	15.9
561.10223	0.1
561.34631	0.6
590.60217	0.2
723.34595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38458	0.2
57.03331	0.8
59.01264	1.1
69.48594	1.1
71.01272	0.8
71.04901	0.4
73.02838	0.4
75.00787	0.2
85.02839	0.5
87.00766	0.2
93.03358	0.2
96.95917	1.0
101.02346	0.6
113.02352	0.5
119.04940	0.2
123.04398	0.2
125.02371	0.7
125.10284	0.2
133.02866	0.5
135.04515	0.2
137.02316	0.2
150.24377	0.2
152.31262	0.1
161.02336	0.4
161.04385	0.3
163.03857	0.2
177.01892	0.6
177.65344	0.2
178.02644	0.3
193.05032	0.2
206.46562	0.2
224.75670	0.2
226.05815	0.2
227.99928	0.2
271.02652	0.3
271.05963	0.2
289.07108	0.5
300.02713	0.3
301.03479	0.3
316.02155	0.2
341.06705	0.2
355.26678	0.3
369.09940	0.5
473.32996	0.3
501.32162	0.4
519.33331	100.0
520.33698	15.5
553.10693	0.2
561.34595	0.7
609.14410	0.4
619.38226	0.3
663.37396	1.1
664.37665	0.4
723.20941	0.5
724.17035	0.2
731.32172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08459	0.3
57.03342	0.4
58.00460	0.5
59.01261	50.0
60.01602	0.7
69.28835	3.0
71.01263	3.7
72.99222	0.4
73.02835	1.2
75.00759	0.6
83.01323	0.5
85.02843	1.2
89.02354	1.8
95.01308	0.3
96.95906	0.3
101.02341	4.1
113.02350	3.3
119.03374	1.9
125.02381	0.9
141.65143	0.3
143.03430	0.5
161.04504	1.5
165.01889	0.4
165.43341	0.3
200.17421	0.4
206.06035	0.3
221.06596	0.5
238.49913	0.3
255.17444	0.3
285.11917	0.4
341.22733	0.4
357.26086	0.4
359.27545	1.7
373.25507	0.6
375.26779	0.8
391.26181	0.6
393.28168	0.9
394.28632	0.3
403.91806	0.3
405.28040	0.8
407.29904	0.6
409.31451	1.0
411.28964	0.6
423.29025	2.2
425.30560	3.9
426.31360	0.4
441.30356	0.4
455.32410	0.4
457.33493	5.7
458.34052	0.4
459.31320	1.5
460.31931	0.4
467.28094	0.5
483.31235	0.5
501.32315	100.0
502.32657	15.7
503.30759	0.3
515.34308	0.5
519.33374	12.8
519.41260	0.6
520.33801	1.9
522.33301	0.4
543.33209	2.3
544.33929	0.5
585.23962	0.4
619.91791	0.4
663.37451	1.5
664.38007	0.6
723.39685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93721	0.1
56.21900	0.1
57.03342	0.6
59.01266	2.5
69.03340	0.2
69.53252	0.4
69.53680	0.5
71.01261	1.1
71.04527	0.2
71.04910	3.0
73.02838	0.4
75.00755	0.2
75.59286	0.1
83.01263	0.2
83.04893	0.1
85.02832	0.3
87.00748	0.2
89.02328	0.4
96.95908	4.9
97.02818	0.1
98.20531	0.2
98.95467	0.4
101.02317	0.7
113.02328	0.4
119.04942	0.2
123.04423	0.1
123.65334	0.2
125.02364	0.9
135.02875	0.2
137.02420	0.3
149.04498	0.1
151.00272	0.2
161.02380	0.6
161.04459	0.1
163.03819	0.2
164.01088	0.1
165.01883	0.2
177.01849	0.4
179.03448	0.2
181.84268	0.1
191.05536	0.2
193.05127	0.1
203.05482	0.2
214.11797	0.1
230.05354	0.1
271.06140	0.3
283.05844	0.2
289.07251	0.7
303.21381	0.3
319.24344	2.5
320.24622	0.3
337.25323	0.1
353.24915	0.4
363.27011	0.3
379.30038	0.4
385.27573	0.8
405.26517	1.5
406.27164	0.2
407.07559	0.1
419.78683	0.1
423.29099	0.3
424.75720	0.1
425.30719	0.2
429.30356	1.2
430.30209	0.2
441.30075	0.2
445.33386	0.9
455.31845	0.7
457.33627	0.3
471.31219	13.7
472.31656	1.9
473.28943	0.2
501.32370	2.9
502.32709	0.4
519.33344	100.0
520.33710	15.7
553.11462	0.2
561.33832	0.2
720.25330	0.1
723.23865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.2
59.09753	0.8
59.56658	0.7
61.98707	5.5
78.95789	32.1
80.02546	1.9
81.03320	1.3
83.04926	6.8
96.96842	4.1
125.06033	0.8
135.08052	1.1
152.99519	46.0
163.11212	4.6
164.11470	1.0
165.12790	2.8
171.00581	3.6
191.10695	1.3
209.11807	100.0
210.12189	5.0
227.03226	4.1
227.12895	9.2
245.04211	1.0
253.21750	13.0
254.22165	1.1
272.97919	1.1
277.21722	1.1
363.12109	2.2
395.15002	1.3
437.15814	2.8
450.02167	1.0
455.16846	5.8
487.19595	58.7
488.19879	3.8
687.42096	1.0
691.38983	5.7
723.41046	63.3
724.41418	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	723.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
58.00458	0.5
59.01255	4.6
60.99184	0.4
65.39515	0.4
67.05025	0.4
69.03313	0.4
69.39376	2.7
69.39789	0.9
70.93186	0.4
71.01263	3.8
73.02817	0.6
74.26817	0.4
78.95797	0.6
80.02596	0.5
81.03309	0.6
81.62975	0.3
83.01253	0.4
83.04910	1.4
85.02841	0.5
87.00779	0.7
89.02348	2.6
92.13285	0.4
101.02332	3.4
111.08075	0.6
113.02324	2.0
119.27094	0.4
133.04926	0.5
143.03325	0.4
161.04501	1.6
163.11162	0.7
165.12785	0.4
167.10704	0.4
167.14392	0.7
179.05530	1.0
179.14420	0.7
181.12262	0.5
183.12399	0.5
183.13890	6.7
193.12329	1.8
195.13855	4.2
196.14420	0.7
199.13364	3.4
208.10739	0.4
209.11801	20.8
210.12169	1.4
211.13370	100.0
212.13727	6.0
223.13388	2.7
227.12859	11.1
228.13503	1.0
229.14287	0.4
230.01010	0.4
235.08234	3.2
253.09325	15.7
254.09756	0.7
256.13177	0.9
275.20224	5.0
277.21765	22.1
278.22034	2.2
293.21274	57.5
294.21603	6.3
319.87552	0.4
447.22516	5.9
448.22485	0.5
463.21939	2.2
469.33337	0.7
487.34238	0.7
529.30255	1.6
723.42853	1.3
724.44019	0.6
733.07056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
57.03333	0.2
58.00483	0.2
59.01262	4.1
68.99754	0.1
69.03329	0.2
71.01266	3.7
72.99201	0.1
73.02836	0.9
75.00773	0.1
78.95767	0.1
80.02562	0.8
81.03345	0.9
83.01267	0.7
83.04914	3.5
84.02055	0.5
85.02843	1.1
85.03312	0.2
86.00011	0.1
87.00771	0.9
89.02338	1.9
93.03347	0.1
95.01286	0.3
95.04903	0.4
97.02842	0.2
97.06512	0.1
98.20536	0.3
99.00781	0.2
101.02344	3.3
102.02699	0.1
103.03918	0.1
108.83019	0.1
109.06498	0.3
109.37914	0.1
111.04465	0.1
111.08077	0.1
113.02356	1.8
119.03396	0.5
120.23804	0.1
121.26714	0.1
125.02376	0.2
125.05984	0.4
127.07562	0.1
129.01799	0.1
133.04982	0.2
135.08078	0.5
136.98454	0.1
143.03435	0.3
145.04958	0.7
147.11760	0.2
152.99556	0.1
157.05026	0.1
161.04503	1.3
163.11238	2.7
164.11598	0.1
165.12817	1.8
169.08748	0.1
179.05579	0.2
181.12318	0.4
191.10756	0.7
199.13332	0.1
205.19626	0.1
209.11813	75.3
210.12146	4.4
211.13469	0.1
227.12883	9.3
228.13165	0.5
233.22813	0.4
235.08237	5.8
236.08536	0.3
253.09311	9.2
254.09648	0.4
259.20639	0.5
275.20157	0.3
277.21768	100.0
278.22113	9.1
293.21170	0.1
445.21002	0.4
513.30731	0.3
705.36304	0.2
723.40277	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96258	0.1
55.01764	0.2
57.03329	0.2
58.00491	0.2
59.01263	3.1
68.63234	0.1
69.03355	0.1
71.01266	2.5
71.04905	0.1
72.99190	0.2
73.02834	0.3
75.00765	0.1
80.02564	1.1
81.03343	1.0
83.01258	0.5
83.04914	4.4
84.02070	0.7
85.02847	0.7
87.00746	0.4
89.02335	1.9
90.92046	0.1
91.03912	0.1
93.03341	0.1
95.01289	0.2
95.04905	0.6
97.02824	0.2
97.06474	0.2
101.02346	2.0
109.06521	0.2
111.04396	0.1
111.08058	0.2
113.02356	1.1
119.03390	0.4
125.02377	0.1
125.05998	0.4
125.09619	0.1
127.07583	0.1
130.22165	0.1
131.03468	0.1
133.04984	0.1
135.08087	0.6
143.03426	0.2
145.04900	0.1
147.11771	0.2
152.99594	0.1
153.12796	0.1
155.12222	0.1
161.04501	0.8
163.11237	3.4
164.11577	0.2
165.12798	2.2
166.13026	0.1
179.05556	0.3
181.12325	0.5
191.10767	0.9
199.13388	0.1
209.11812	100.0
210.12146	6.2
210.14217	0.2
211.13353	0.2
227.12889	10.7
228.13202	0.6
233.22829	0.1
235.08231	1.3
253.09319	7.5
254.09695	0.4
259.20685	0.2
275.20193	0.1
277.21771	47.1
278.22107	4.2
293.21100	0.1
331.33966	0.1
399.32181	0.1
443.35110	0.1
445.20963	1.1
463.21774	0.1
469.33578	0.1
513.30573	0.1
705.36749	0.1
723.42987	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.1
59.01261	3.5
59.84267	0.2
60.88371	0.1
61.98706	0.4
66.55129	0.2
69.03330	0.2
71.01267	3.4
71.48751	0.2
71.49088	0.2
73.02837	0.7
75.00751	0.2
78.95786	0.3
80.02563	1.1
81.03354	1.1
83.01272	0.5
83.04914	4.1
84.02053	0.6
85.02816	0.8
87.00774	0.7
89.02342	1.8
93.03362	0.1
95.01302	0.3
95.04928	0.7
97.02853	0.2
97.06478	0.4
99.00759	0.2
101.02338	2.9
109.06510	0.4
112.01619	0.2
113.02345	1.5
115.03883	0.2
119.03403	0.6
125.02362	0.3
125.05992	0.5
125.09590	0.3
131.03453	0.2
133.05013	0.2
135.08080	0.8
143.03487	0.2
145.04990	0.4
147.11665	0.2
152.01358	0.2
152.99532	0.4
161.04489	1.3
163.11241	3.6
165.12799	2.3
179.05571	0.6
181.12331	0.6
191.10707	1.1
199.13345	0.4
207.10278	0.4
208.10680	0.2
209.11809	100.0
210.12148	6.0
211.13338	0.2
225.11333	0.2
227.12880	12.0
228.13208	0.7
233.15242	0.2
233.22704	0.3
235.08229	4.0
253.09303	8.8
254.09674	0.4
259.20499	0.3
277.21765	82.9
278.22101	7.9
279.22662	0.3
445.21030	1.0
446.21045	0.2
463.21765	0.2
469.14795	0.2
513.30927	0.3
586.38068	0.2
664.70172	0.2
705.36719	0.4
706.36560	0.3
723.42944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	23.4
60.99183	2.7
61.98717	23.3
71.01263	21.5
71.56187	3.0
72.99177	3.1
73.02820	4.1
74.24417	2.4
75.00739	4.3
76.90004	2.5
78.95776	4.0
78.98834	2.3
85.02825	7.5
88.98702	14.0
89.02341	13.8
89.85481	2.4
93.43815	2.4
96.95884	12.1
97.02828	3.2
99.00760	5.9
101.02344	17.1
101.05963	4.4
113.02356	9.9
119.03389	5.4
119.04855	2.9
125.02328	6.0
135.02936	4.3
137.02238	2.8
145.02879	3.3
146.72878	2.5
163.11192	4.1
165.01903	3.1
165.12785	12.7
179.05533	5.9
181.12241	5.0
205.08617	3.7
207.10170	8.8
209.11827	33.6
210.12114	3.4
225.11288	23.8
227.12952	6.8
235.08353	2.9
243.12376	4.0
247.20549	4.6
253.09210	4.9
273.18500	3.4
291.19702	92.0
292.19995	8.9
397.13556	80.1
398.13663	5.1
415.14621	37.4
416.15027	4.1
503.34113	6.5
665.38623	4.6
681.36591	4.1
689.34229	20.0
690.33203	3.1
725.31641	100.0
726.32098	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	725.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
59.01262	12.8
61.98716	0.5
67.73103	0.2
69.03334	2.5
70.72541	0.7
71.01264	2.4
71.04906	0.9
72.99186	0.2
73.02855	0.4
81.03316	0.2
83.01297	0.4
83.04916	0.4
85.02828	0.6
85.06481	0.7
87.00770	0.7
89.02324	1.7
93.03368	0.4
95.04911	0.5
101.02338	2.3
109.06515	0.7
111.08076	0.6
113.02331	1.1
116.92838	0.2
119.03399	0.6
123.08080	0.2
124.19907	0.2
125.02361	0.6
125.09660	0.4
135.02896	0.4
141.09128	0.4
143.03439	0.5
145.05005	0.3
146.26598	0.2
149.09624	0.5
153.09157	0.3
161.04510	1.1
161.13322	0.3
167.10730	3.3
169.12273	1.1
175.36357	0.2
177.12773	0.8
179.05568	0.6
179.10748	1.3
179.14391	3.2
180.14778	0.3
187.11296	0.3
195.12056	0.4
195.13875	10.0
196.14215	0.8
197.11804	11.6
198.12102	0.6
205.12317	10.9
206.12642	0.9
211.13371	0.3
223.13390	100.0
224.13713	6.1
235.08203	2.8
253.09309	5.4
271.02472	0.3
291.19760	1.3
298.63382	0.2
299.01923	0.4
303.16058	0.2
309.20767	3.6
310.21240	0.3
385.24014	0.3
411.25317	1.2
429.26355	1.1
433.20874	0.5
437.19659	0.3
441.21417	2.4
442.21576	0.4
459.22464	16.3
460.22751	1.8
527.19312	0.2
528.47913	0.2
531.75122	0.2
595.31360	0.6
621.32849	0.8
647.34399	2.8
648.34338	0.4
665.35449	3.7
666.36023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72485	0.1
59.01263	38.2
60.01625	0.3
61.98697	0.1
68.37502	0.1
71.01286	0.8
71.04910	0.6
85.02821	0.3
89.02343	0.5
95.02097	0.1
99.16160	0.1
101.02340	0.9
102.12573	0.2
113.02340	0.4
119.03407	0.5
128.56329	0.1
139.58638	0.1
161.04570	0.3
163.00574	0.1
192.17822	0.1
216.98532	0.2
221.06610	0.3
239.90561	0.2
260.68097	0.2
285.25958	0.2
377.28665	0.3
389.28485	0.2
393.31592	0.4
407.29480	0.6
419.29556	0.5
437.30621	0.2
443.31586	0.4
453.30011	0.3
459.35013	0.3
463.11206	0.2
485.32828	5.4
486.33344	0.9
501.32431	0.2
502.32840	0.4
503.33862	100.0
504.34219	16.2
504.42148	0.3
519.33325	2.1
520.33704	4.3
521.33978	9.2
522.34308	0.7
545.34912	0.7
563.35687	0.2
665.39587	1.5
666.39221	0.4
725.41107	1.9
726.41516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68205	0.7
57.03316	1.1
58.00471	1.3
59.01261	75.9
60.01589	0.9
61.98713	23.2
69.12518	0.5
70.53866	0.5
71.01267	15.3
71.04897	4.0
72.99197	1.9
73.02837	1.7
75.00758	2.2
79.33437	0.6
83.01272	1.4
83.04894	1.1
85.02843	3.6
85.23784	0.5
87.00768	1.6
88.98699	0.9
89.02331	15.7
95.01286	1.2
96.95898	1.5
97.02879	0.6
98.57050	0.6
101.02335	10.5
113.02341	9.9
119.03413	8.9
119.04922	2.4
119.08591	1.0
125.02364	1.7
129.90073	0.6
133.06474	0.5
134.03687	0.7
135.02902	2.3
135.04480	1.5
137.02368	1.0
143.03430	2.7
145.02853	0.6
149.04434	1.0
149.05971	0.7
151.00281	0.8
151.03946	0.8
161.02412	0.9
161.04507	4.0
163.03908	1.5
171.10245	0.8
177.01917	0.8
178.99728	0.7
179.03383	1.8
179.05563	9.5
189.01875	0.7
193.05045	1.1
205.16029	1.0
209.11746	1.0
242.13666	0.6
312.13608	0.7
327.21805	0.9
357.26187	0.7
373.29172	1.4
375.27066	1.0
377.28458	4.2
378.28625	0.8
389.28882	1.2
391.30328	2.8
393.31711	13.1
394.31992	2.7
407.29568	4.3
409.31198	2.1
411.32941	1.3
419.29529	0.8
423.28830	1.1
425.30756	7.1
426.31088	2.1
427.32193	3.6
437.30740	1.4
441.33975	1.4
443.31760	1.0
455.31668	1.7
457.33267	9.7
458.33643	2.6
459.34888	24.5
460.35175	3.7
473.32651	4.4
485.32834	22.4
486.33398	4.0
489.32355	1.9
490.32611	2.7
491.33801	63.6
492.34192	11.4
501.32059	0.8
503.33893	100.0
504.34232	18.7
521.33978	1.1
527.34088	1.0
529.31714	1.3
535.33331	0.9
545.34937	2.4
665.38525	2.3
665.50244	1.6
725.41626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13369	0.6
57.03325	2.3
58.96164	0.7
59.01260	5.3
59.77382	0.6
61.98704	2.6
64.46251	0.6
66.97182	0.6
69.03337	0.7
69.35350	1.4
69.35760	4.2
71.01266	4.6
72.99237	0.6
73.02830	0.9
78.95768	0.7
83.04922	1.0
85.02849	1.6
87.00784	1.5
89.02338	2.3
95.04901	0.9
96.95912	1.0
97.06486	7.9
101.02300	4.9
113.02348	2.0
113.09642	0.7
125.09654	0.7
133.10095	0.9
151.10042	1.1
151.11224	15.6
152.11555	0.9
154.63097	0.6
161.04491	1.6
169.12294	47.0
170.12619	2.5
182.51427	0.6
195.10277	2.2
195.13910	5.8
209.11737	0.8
213.11325	7.3
223.13358	2.8
235.08270	1.2
253.09311	2.9
275.20288	3.1
279.19604	1.0
293.21283	23.5
294.21649	2.2
335.71777	0.7
348.28140	0.7
376.01227	0.7
388.45679	0.8
431.19315	1.2
449.20569	2.3
493.21432	0.8
525.43817	0.7
614.62970	0.7
725.41284	100.0
726.41693	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	725.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55196	0.2
59.01252	0.8
61.98715	1.2
63.34950	0.2
69.03332	0.4
69.35911	2.2
73.42782	0.2
79.99525	0.2
90.63023	0.2
96.95911	0.3
102.79237	0.2
161.02397	0.2
167.10667	0.8
179.10686	0.3
179.14375	0.9
195.13881	2.7
201.79987	0.2
205.12303	2.1
223.13379	21.8
224.13622	1.1
262.61716	0.2
317.13705	0.2
499.30957	0.3
501.32288	100.0
502.32632	16.5
593.23969	0.3
725.33655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	20.3
64.65228	0.2
70.95467	0.7
71.01269	2.5
73.02836	0.7
78.95802	0.4
85.02830	0.6
87.00764	0.5
89.02345	1.3
101.02343	2.2
113.02367	1.4
119.03419	0.4
125.09639	0.8
127.11225	1.3
145.04980	0.4
152.85919	0.3
152.99486	0.5
153.09097	0.6
161.04504	1.2
171.10216	84.6
172.10550	3.8
209.11755	0.5
235.08250	2.7
253.09302	7.6
254.09668	0.4
255.23300	0.4
277.21771	100.0
278.22119	9.1
281.24689	0.5
407.19351	1.2
453.15503	0.3
513.30804	1.9
514.31268	0.3
709.39130	0.6
727.38831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	16.1
63.88049	0.3
69.66413	0.8
69.66821	2.2
71.01275	1.3
78.95788	0.5
82.48415	0.3
85.02863	0.4
89.02345	1.2
101.02346	1.5
113.02342	0.8
119.03465	0.4
125.09650	0.6
127.11191	2.0
152.99570	0.4
153.09181	0.4
158.79054	0.4
161.04488	0.6
163.11021	0.4
171.10222	100.0
172.10570	3.8
209.11809	0.5
233.94315	0.3
235.08203	1.5
253.09291	5.0
255.23293	1.2
277.21780	53.9
278.22101	3.8
361.77286	0.4
407.19379	3.9
408.19797	0.5
513.30511	0.7
709.37848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	7.2
60.01595	0.7
61.01694	0.6
61.98713	100.0
71.01275	0.6
71.04913	0.2
73.89050	0.1
83.01316	0.1
84.02716	0.1
85.00929	0.1
85.02859	0.3
89.02351	0.3
90.58674	0.1
96.95898	0.1
101.02347	0.4
107.01283	0.2
109.02866	0.1
110.80429	0.1
113.02374	0.2
114.28345	0.1
119.03433	0.2
119.04930	0.2
125.02391	0.4
135.02945	0.2
135.04454	0.2
137.02365	0.2
151.00314	0.5
151.03969	0.2
153.01871	0.1
163.04025	0.1
177.01942	0.2
178.99849	0.4
193.04955	0.2
239.03485	0.2
241.05209	0.2
326.35550	0.1
375.05096	0.2
401.02945	0.1
410.58530	0.1
421.05853	0.4
465.04642	0.9
486.33295	0.6
487.33545	0.4
488.33600	0.4
503.33704	1.8
504.34207	6.3
505.34512	8.9
506.34735	7.2
507.35242	0.3
520.34076	0.2
521.33661	0.2
522.34503	0.2
523.34534	0.2
565.06525	0.2
583.07617	0.5
624.38641	0.2
661.79730	0.2
668.40350	0.3
669.41248	0.5
728.41742	0.3
729.12701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01272	0.7
62.15843	0.2
63.02279	4.6
63.34668	0.2
65.00208	5.7
71.01279	0.2
72.99198	0.3
73.02851	0.2
75.00754	2.3
75.32302	0.2
77.98293	0.2
83.01273	5.0
84.83785	0.2
89.02307	0.5
93.03363	0.6
95.01346	0.3
99.62576	0.2
102.89809	0.2
103.05441	0.2
105.03338	0.2
107.01293	13.3
108.01584	0.4
109.02863	0.8
115.33941	0.2
117.03341	0.4
119.04852	0.2
121.02850	0.4
124.01582	0.8
125.02365	3.1
131.04921	0.2
133.02872	0.3
135.00803	0.6
135.02913	2.3
135.04405	0.3
137.02376	2.0
139.56100	0.2
145.02892	1.0
147.04451	0.7
149.02367	0.7
151.00307	41.9
152.00813	1.5
153.01895	1.4
157.06540	0.9
159.04453	0.4
161.02330	0.3
163.00304	0.9
163.03926	0.6
165.01903	0.6
167.04979	0.5
169.01373	4.7
169.06548	0.4
171.04475	0.7
173.02406	1.6
175.58394	0.2
176.01152	1.0
177.01855	1.5
178.67256	0.2
178.99818	36.5
180.00198	1.3
183.04439	1.0
185.06032	2.1
186.06451	0.2
187.04025	0.6
189.01978	0.4
191.03441	1.5
192.00655	0.6
193.01392	6.5
195.04478	1.4
196.05197	0.6
197.02403	0.6
197.06042	0.5
198.03185	1.2
199.03986	1.8
201.01926	2.1
201.05597	0.7
202.02347	0.2
203.03464	0.4
205.01410	2.4
207.02969	0.7
211.03993	4.3
212.04720	1.4
213.02280	1.0
213.05560	8.2
213.07617	0.4
214.02602	0.6
214.05888	0.6
215.03493	2.6
217.01414	0.6
219.02975	7.8
219.05103	0.4
220.03300	0.3
221.06032	0.2
222.03188	0.3
223.04015	2.1
224.04648	0.5
225.05518	0.9
226.02664	0.7
227.03510	4.6
229.01436	0.3
229.05060	6.1
230.05399	0.3
233.00928	1.0
235.03993	0.5
236.04681	0.2
237.01985	0.2
237.05603	0.5
238.02751	0.4
239.03511	12.1
240.04166	2.0
241.05067	17.1
242.05370	0.8
245.01031	0.2
245.06102	0.3
249.01961	0.4
249.05614	0.5
250.02705	0.2
251.03516	2.3
251.06053	0.2
251.07114	0.3
252.04147	0.4
253.01514	0.4
253.05019	0.3
255.02913	0.3
257.06149	0.5
261.05655	0.4
263.03549	0.3
263.07193	0.3
264.04370	0.5
265.01520	0.4
265.05081	0.9
266.02222	0.6
267.03018	9.9
268.03531	1.1
269.04446	1.3
271.02386	0.3
272.04965	0.3
273.05588	0.6
275.03448	0.3
275.07129	0.5
277.01639	0.3
277.05078	0.9
277.08102	0.2
278.05902	0.3
279.03287	0.3
279.06656	0.5
285.05695	0.4
286.06464	0.3
287.07294	0.4
288.04266	0.4
289.05106	0.5
290.05972	0.2
291.03183	0.5
291.06628	0.5
293.01163	0.5
293.04675	0.6
293.08176	0.3
295.02487	0.9
301.05127	0.9
302.05698	0.4
303.06653	1.3
304.07117	0.2
305.04599	0.7
306.05292	0.5
307.06079	0.6
309.04156	0.4
313.05093	0.4
315.06537	0.3
317.04611	1.3
318.05255	0.6
319.02573	0.4
319.06161	1.8
320.06577	0.2
321.03995	0.4
321.07770	0.4
323.05554	0.3
329.04681	1.4
330.05307	0.5
331.02768	0.3
331.06076	1.4
332.03217	0.5
333.03934	1.0
334.04288	0.3
335.05731	0.5
337.03476	0.2
345.04007	1.6
346.05026	1.2
347.05652	2.6
348.06189	0.3
349.07410	0.3
350.04272	0.4
351.05200	0.5
357.04080	2.2
358.04614	0.4
359.05707	0.8
361.03516	1.4
362.04114	0.4
363.05264	0.6
364.05884	0.3
365.06750	4.4
366.07129	0.4
372.02853	0.4
373.03558	1.6
374.04239	1.0
375.05148	31.5
376.05490	3.6
379.04883	1.0
385.03644	1.8
386.04315	0.3
391.04749	1.8
392.05518	0.8
393.06244	19.8
394.06567	2.1
401.03101	7.9
402.03510	1.4
403.04648	19.3
404.05081	2.2
418.98331	0.3
419.04144	12.5
420.04541	1.7
421.05734	33.1
422.06113	3.7
429.02637	4.7
430.02795	0.7
437.05182	2.0
447.03635	6.8
448.04099	1.0
461.04950	0.4
465.04709	100.0
466.05054	12.8
466.11914	0.3
483.05435	0.3
507.05835	2.1
519.05951	0.4
523.05042	1.0
547.05310	6.2
548.05762	0.6
549.10901	0.4
565.06317	21.7
566.06616	3.0
567.11548	0.6
583.07379	21.2
584.07776	3.3
593.09460	1.9
594.10205	0.4
611.10529	18.2
612.10779	3.1
667.13440	0.5
729.13239	10.2
730.13629	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	729.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.9
59.01274	2.1
61.98716	7.7
63.02281	4.4
65.00203	6.2
69.52534	5.0
71.01264	1.2
73.10739	0.6
75.00774	3.1
83.01271	4.7
89.02374	0.9
93.03371	0.9
96.95957	0.8
101.22428	0.6
107.01283	14.6
107.01936	0.8
108.74316	0.6
109.02879	1.2
125.02367	5.3
133.02905	0.8
135.02893	3.2
135.04478	1.6
137.02336	3.2
145.02803	1.1
149.02393	0.7
149.62830	0.8
151.00302	48.3
152.00769	1.5
157.06505	1.1
161.02435	0.8
163.03934	1.0
167.05051	0.9
169.01364	8.1
171.04469	1.1
173.02426	2.7
176.01131	0.8
177.01831	2.1
178.99820	40.0
180.00063	0.8
182.03728	0.8
183.04500	1.6
185.06090	2.1
187.03979	1.2
191.03442	1.6
193.01399	10.2
195.04485	2.1
196.05212	0.9
198.03214	2.2
199.03998	1.8
201.01945	3.6
201.05565	1.2
203.03506	0.7
205.01405	3.7
207.02989	1.6
211.04016	4.2
212.04742	1.9
213.01787	0.9
213.05560	8.5
214.02750	0.8
214.05821	1.1
215.03462	3.9
219.02957	11.6
223.04036	2.0
226.02634	0.9
227.03481	5.3
229.05061	6.3
231.02963	0.8
233.00903	1.4
239.03529	12.4
240.04131	3.0
241.05061	23.9
242.02370	0.8
242.05463	2.1
245.00902	0.8
251.03488	2.9
264.04358	1.5
266.02118	1.3
267.03052	9.6
268.03638	0.9
269.04752	1.1
276.07596	0.7
277.05078	1.0
289.05066	1.1
295.02640	1.8
297.49072	0.7
297.75549	0.7
303.06555	1.3
305.04684	1.5
307.06195	1.0
317.04367	1.5
319.06284	1.9
329.04669	1.5
331.06088	1.7
333.03839	0.8
345.04034	2.2
346.04956	0.8
347.05646	2.6
357.04144	2.7
359.05630	1.6
361.03613	2.0
365.06693	5.6
366.07440	0.8
373.03455	1.8
374.04382	1.0
375.05182	41.1
376.05411	5.7
379.04572	1.0
385.03598	1.9
386.03864	0.8
391.04526	2.0
392.05313	0.9
393.06232	28.2
394.06586	3.9
401.03229	6.5
402.03610	1.1
403.04684	23.8
404.04968	3.7
419.04163	15.3
420.04489	2.0
421.05743	34.9
422.06088	5.3
429.02441	4.2
437.05432	2.4
447.03610	4.5
461.05215	1.0
465.04706	100.0
466.04999	13.5
507.05896	3.7
565.06342	2.0
567.11963	0.9
571.57111	0.8
583.07397	57.7
584.07666	9.9
593.09344	2.0
611.10535	12.9
612.10498	2.4
625.08203	1.2
729.13171	23.6
730.13611	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	729.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.1
63.02280	5.2
65.00201	7.0
65.82176	0.6
69.41695	5.7
69.87306	0.6
71.01254	0.9
72.99180	0.7
73.02851	0.6
75.00764	3.9
78.95828	0.6
83.01270	5.8
88.37704	0.6
93.03328	0.9
96.95906	0.6
98.20493	1.5
99.69633	0.6
101.02314	0.8
102.50985	0.7
107.01286	15.0
109.02866	2.2
113.02371	0.8
119.04928	1.0
121.02853	0.7
124.01589	0.9
125.02370	3.3
135.02908	6.3
135.04445	1.4
137.02368	2.2
145.02876	1.3
147.04408	2.0
149.02406	1.4
150.03114	0.6
151.00301	48.3
152.00806	2.3
153.01823	2.2
156.30377	0.6
163.00270	0.8
163.04001	1.3
165.01881	1.1
167.04901	0.7
169.01369	8.6
169.06436	0.6
171.04538	0.9
173.02361	2.9
177.01837	2.0
178.99802	49.9
179.03305	1.9
180.00153	2.4
183.04555	1.4
185.06001	2.6
187.03967	0.8
190.02670	0.7
191.03516	3.5
192.00645	1.0
193.01385	10.4
195.04515	1.5
196.05304	0.7
197.02402	0.7
197.06021	0.9
198.03133	2.2
199.03996	3.0
201.01897	5.3
201.05521	0.7
205.01395	4.7
207.02971	2.8
211.04025	3.8
212.04733	2.6
213.01906	1.9
213.05533	8.8
214.02699	1.0
214.05991	1.0
215.03450	5.2
217.01389	0.9
219.02951	18.4
220.03209	1.1
223.04010	2.7
224.04565	0.7
226.02716	1.3
227.03496	7.1
229.05023	5.3
230.05350	0.7
233.00786	1.0
238.02724	0.9
239.03497	12.8
240.04141	3.7
241.05060	26.0
242.05452	1.5
251.03510	3.5
263.07056	0.7
264.04242	0.8
265.01746	0.8
265.05231	1.3
267.03009	11.7
268.03598	1.5
269.04578	1.7
273.05548	1.0
275.07254	1.1
277.05029	1.0
289.05145	0.9
295.02545	1.4
300.02942	0.9
301.05029	0.9
302.05701	1.3
303.06613	1.4
317.04443	1.6
319.06082	1.6
329.04654	2.3
330.05246	1.0
331.06271	1.5
333.04199	1.5
335.05484	0.8
345.03879	1.6
346.04480	1.0
347.05554	2.5
349.07327	0.9
357.04105	3.5
359.05734	1.3
361.03400	1.2
363.04935	1.2
365.06744	4.8
373.03625	2.3
374.04272	0.7
375.05124	34.0
376.05527	3.3
377.06976	0.8
379.04550	0.9
385.03595	1.9
391.04446	1.1
392.05389	0.8
393.06274	18.8
394.06628	1.2
401.03110	11.1
402.03613	1.8
403.04645	27.0
404.05020	3.2
419.04144	10.6
420.04523	2.1
421.05682	35.2
422.06000	3.6
429.02524	7.0
430.02908	0.7
437.05139	2.7
447.03745	5.9
447.09296	1.3
461.19083	0.7
465.04691	100.0
466.05032	12.2
507.05984	1.4
547.05609	3.1
565.06256	27.8
566.06610	5.8
567.11310	3.8
583.07355	27.1
584.07794	3.1
593.09369	4.2
611.10571	21.9
612.10944	3.1
628.32172	0.7
728.25372	0.8
729.13812	4.5
729.25208	1.1
730.14191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67001	0.5
57.03330	0.8
59.01256	4.4
59.81944	0.5
61.98720	12.8
62.47681	0.5
69.03345	1.0
71.01266	3.1
71.04886	0.9
71.28999	1.1
78.63522	0.5
79.05541	0.5
79.48528	0.6
79.95631	0.5
80.02576	0.7
81.03355	0.8
83.01279	1.0
83.04908	4.6
84.02083	0.8
85.02859	0.9
87.00748	0.5
89.02325	2.0
95.04918	0.9
95.17424	0.5
95.98315	0.6
96.95921	1.7
101.02338	3.5
103.84689	0.5
109.02872	0.6
111.08095	0.6
113.02328	1.5
116.92760	1.0
119.03403	0.6
125.02356	3.0
125.06092	0.5
125.09593	1.1
135.08015	0.7
137.02388	1.2
150.20932	0.6
151.00369	0.9
151.04042	0.9
161.02365	1.7
161.04503	1.1
163.11221	2.7
165.01898	0.6
165.12773	1.9
167.03384	1.0
167.10718	1.4
171.10175	1.7
173.63893	0.5
178.99829	0.6
179.10789	0.9
179.14359	1.2
195.13919	5.2
196.08258	0.5
197.11766	2.2
201.11279	7.8
205.12329	4.5
209.11816	100.0
210.12192	5.5
211.13385	1.0
223.13399	52.1
224.13718	3.1
227.12891	17.0
228.13359	0.7
235.08228	3.0
253.09302	8.4
254.09502	0.6
264.30365	0.5
295.13748	0.8
309.20911	2.9
310.20975	0.7
311.45834	0.6
406.35001	0.6
441.21411	1.3
444.31076	0.5
445.20816	3.6
459.22452	5.1
460.22672	0.8
651.33960	2.4
666.37756	2.6
729.33636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
71.01256	1.2
71.56908	0.9
74.11292	0.4
75.00743	1.4
80.68954	0.5
84.05131	0.5
85.02872	0.6
89.02331	0.9
107.01315	0.6
119.04930	1.2
124.01524	1.3
125.02322	0.7
135.02928	8.4
137.02292	1.3
151.00316	4.3
151.04007	0.5
152.01027	0.7
161.81203	0.5
163.00298	0.5
163.03975	3.4
164.01100	0.7
176.57179	0.5
178.99818	5.0
182.99988	0.5
191.05711	0.6
203.67517	0.5
204.04233	0.5
214.02713	3.6
215.03508	0.5
227.03534	0.6
242.02199	2.9
243.02956	1.6
259.02451	3.1
270.01788	4.1
271.02530	22.1
272.02856	1.3
281.06778	2.2
287.02036	11.6
288.02542	1.5
316.02292	88.7
317.02902	16.7
392.30994	0.7
442.07449	0.6
449.07339	100.0
450.07678	10.6
747.69440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36778	0.4
57.03332	0.6
58.00483	4.1
59.01263	62.9
61.98717	7.6
71.01267	57.7
72.01589	0.6
72.99194	5.4
73.02866	0.5
75.00788	0.5
77.62875	0.3
83.01283	0.6
85.02847	6.8
87.00764	1.5
87.43618	0.3
88.98685	0.5
89.02333	69.0
90.02699	0.8
96.95921	1.0
98.20584	0.8
101.02342	5.5
101.28219	0.3
113.02353	7.5
119.03428	1.4
123.04442	0.6
125.02372	1.1
131.03433	9.2
132.02110	1.0
135.02922	0.9
135.04431	0.7
137.02367	0.7
149.04491	9.4
150.03191	0.5
152.82735	0.4
160.01643	2.9
161.02414	0.5
162.95758	0.3
165.05457	0.6
175.04260	0.4
178.99857	0.5
180.07857	0.9
181.08704	0.6
195.12589	0.4
209.11821	1.0
211.03973	0.6
214.17888	0.4
223.09706	0.9
242.09645	1.2
245.08215	0.4
257.11795	2.0
270.09027	3.8
281.08185	0.6
282.09210	0.8
285.08176	0.7
285.11279	4.5
289.07156	0.5
295.09854	0.7
296.10345	0.6
298.08496	4.8
299.09378	0.6
309.07944	0.4
310.08606	3.2
311.09253	2.3
313.10855	8.3
313.55313	0.5
314.11151	0.5
323.09341	1.2
324.10065	1.7
325.10791	3.9
326.07974	5.0
326.11664	2.7
339.12448	1.0
340.13193	1.4
341.10352	39.5
342.10638	3.6
355.11856	0.6
356.12708	26.5
357.13156	2.2
370.10498	0.8
371.15048	100.0
372.15417	8.7
373.13037	1.6
387.14670	0.5
581.24066	0.6
599.24768	1.2
731.28790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08519	0.1
53.36779	0.1
54.75935	0.1
59.01261	0.3
61.98714	100.0
62.98404	0.2
69.27436	0.8
71.01276	0.1
75.00787	0.1
78.95779	0.1
96.95906	0.2
101.02385	0.1
102.00549	0.1
109.05573	0.1
125.02374	0.1
134.06316	0.1
134.85411	0.1
135.02832	0.1
137.02412	0.1
142.33179	0.1
171.10251	0.4
174.94806	0.1
209.11810	0.4
210.12236	0.2
211.13336	0.1
223.13397	0.5
224.13789	0.2
225.14008	0.1
227.12921	0.1
253.09348	0.1
267.03455	0.1
291.50659	0.1
313.47861	0.1
587.21924	0.1
641.23145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07392	0.2
56.82004	0.3
58.00486	0.3
59.01262	51.7
60.01582	0.4
61.98719	0.4
70.32917	0.4
70.33266	1.0
71.01270	2.6
71.04913	0.7
73.02832	3.3
83.01287	1.1
83.04892	0.2
89.02331	0.3
96.95898	1.2
97.02873	0.3
101.02341	2.7
113.02345	0.4
120.99620	0.3
125.02322	0.6
126.02712	0.3
134.36513	0.2
135.04462	0.6
136.35588	0.2
137.02386	0.5
140.13699	0.2
151.00339	0.4
163.03983	0.4
177.01898	0.3
179.03447	0.6
193.04915	0.3
199.56264	0.3
203.05542	0.4
207.75456	0.2
217.01408	0.3
323.23999	0.4
377.28580	1.4
389.28613	0.4
405.28110	0.4
407.29745	1.9
409.27536	1.9
421.27722	0.5
451.28598	8.6
452.29019	0.9
465.30515	0.5
469.29657	100.0
470.29996	15.0
483.31296	1.3
487.30933	0.7
511.30807	1.4
512.31158	0.3
576.09668	0.3
733.39203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
58.00487	0.3
59.01262	60.8
60.01585	0.5
61.98714	3.5
68.16801	0.3
69.03333	0.3
70.61113	0.3
71.01273	3.3
71.04933	0.8
71.56435	0.4
73.02836	3.3
75.00733	0.3
83.01264	1.0
83.04934	0.3
85.02840	0.4
87.00796	0.3
89.02349	0.3
96.95919	2.7
101.02332	2.5
113.02361	0.5
119.04935	0.4
125.02367	0.5
135.02966	0.5
135.04497	0.5
152.95203	0.3
161.04506	0.3
161.61859	0.3
165.01846	0.3
171.10260	0.5
199.13371	0.6
209.11798	5.4
210.12346	0.4
218.43765	0.3
227.12955	1.5
253.09300	0.5
344.73450	0.3
375.27048	0.4
377.28726	0.9
378.28955	0.3
407.29654	1.3
409.27634	2.0
410.27869	0.3
430.50214	0.3
451.28574	7.0
452.28787	1.5
469.29657	100.0
470.30008	17.0
483.31003	1.5
511.30655	1.4
733.37793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
58.00487	0.3
59.01262	60.8
60.01585	0.5
61.98714	3.5
68.16801	0.3
69.03333	0.3
70.61113	0.3
71.01273	3.3
71.04933	0.8
71.56435	0.4
73.02836	3.3
75.00733	0.3
83.01264	1.0
83.04934	0.3
85.02840	0.4
87.00796	0.3
89.02349	0.3
96.95919	2.7
101.02332	2.5
113.02361	0.5
119.04935	0.4
125.02367	0.5
135.02966	0.5
135.04497	0.5
152.95203	0.3
161.04506	0.3
161.61859	0.3
165.01846	0.3
171.10260	0.5
199.13371	0.6
209.11798	5.4
210.12346	0.4
218.43765	0.3
227.12955	1.5
253.09300	0.5
344.73450	0.3
375.27048	0.4
377.28726	0.9
378.28955	0.3
407.29654	1.3
409.27634	2.0
410.27869	0.3
430.50214	0.3
451.28574	7.0
452.28787	1.5
469.29657	100.0
470.30008	17.0
483.31003	1.5
511.30655	1.4
733.37793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
59.01261	6.3
61.98706	1.1
69.03346	2.3
69.39753	3.3
71.01270	4.4
71.04904	0.5
72.99200	0.7
73.02836	0.7
80.79124	0.4
83.01319	0.4
83.04948	0.7
85.02847	0.8
85.06451	0.5
87.00758	0.8
89.02344	2.7
93.03363	0.5
95.04918	1.0
96.95897	0.4
97.87280	0.4
101.02339	4.1
109.06480	1.8
111.08068	8.8
113.02359	1.8
113.09631	0.5
119.03433	0.4
123.08072	0.5
125.09638	0.6
135.11694	0.7
135.61028	0.5
137.09645	0.6
141.09140	0.5
145.04938	0.5
148.62495	0.5
149.09561	0.8
161.04482	1.2
165.12714	0.4
167.10728	4.6
168.11066	0.4
177.12808	2.6
179.05545	1.2
179.10814	2.3
179.14365	2.2
195.13882	14.9
196.14217	0.8
198.03918	0.4
205.12320	10.1
213.54298	0.4
215.40814	0.5
223.13387	83.4
224.13754	5.9
235.08276	3.9
237.14722	0.6
247.20746	2.0
253.09291	8.6
273.18655	1.2
277.17975	0.7
291.19711	100.0
292.20007	10.6
441.21497	1.1
459.22507	10.7
460.22879	1.8
479.31696	1.0
497.32785	1.2
509.27606	2.0
527.28668	8.5
528.29083	1.2
610.21490	0.4
715.40845	1.8
733.41382	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	733.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75676	0.2
54.82835	0.2
59.01270	1.0
75.50610	0.2
75.96808	0.2
78.95773	0.2
79.84396	0.2
80.96411	0.3
92.18681	0.2
95.82992	0.2
98.19781	0.5
134.97426	0.2
152.45152	0.2
162.18140	0.2
195.21307	0.2
209.98186	0.2
255.23404	0.2
277.21729	3.9
278.22232	0.4
281.07138	0.2
407.33209	0.8
455.35364	100.0
456.35699	17.1
456.42377	0.4
761.84369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
57.03087	1.2
57.03338	15.9
59.01266	11.5
61.98658	1.1
67.01756	1.0
69.03339	4.6
70.46003	0.8
71.01270	9.4
71.56316	0.9
71.56701	1.2
72.99191	1.3
73.02857	1.5
75.00751	1.2
77.03846	1.0
81.03345	6.9
83.01276	15.4
85.02842	2.1
89.02345	4.8
93.03347	4.3
93.46543	1.2
95.01266	2.9
95.04934	5.1
96.95895	2.9
97.02850	7.3
99.04420	6.4
101.02348	6.3
107.04929	2.6
108.02072	1.5
109.02863	11.6
113.02351	3.4
113.05952	1.1
119.03408	2.0
119.04927	2.0
120.02027	1.3
121.02882	9.9
122.03591	3.3
123.00778	1.6
123.04429	3.1
124.01563	4.2
125.02368	100.0
126.02663	2.6
133.02863	2.7
134.03644	1.3
135.02896	2.2
135.04439	7.7
137.02376	91.9
138.02763	1.9
139.03914	3.9
140.27216	0.9
146.02551	1.5
146.03670	28.2
147.04358	1.8
149.02370	4.2
150.03159	1.7
151.00316	1.9
151.03954	6.8
159.04453	10.9
160.05251	5.1
161.02351	3.4
161.04553	2.1
161.06007	3.8
162.03123	2.3
163.00266	1.8
163.03943	3.8
163.99841	1.7
164.01108	21.0
165.01888	61.1
166.02190	2.6
167.03453	32.3
168.03818	1.2
172.05212	6.8
173.06044	5.7
174.03198	12.7
174.06862	5.1
175.03976	5.1
176.04681	3.4
177.01917	9.3
178.99854	1.6
179.03468	21.4
180.03864	1.3
181.04933	1.3
184.05153	1.1
185.00810	1.0
185.05983	1.9
186.06741	2.6
187.03992	7.0
187.07518	1.5
188.04774	11.9
189.05432	2.9
190.02693	2.9
191.03468	1.6
197.05940	1.3
198.06761	1.4
199.04025	1.3
199.07581	2.6
200.04747	6.4
200.08360	1.6
201.05571	5.7
202.06242	2.7
204.04292	7.7
209.06030	2.9
210.06828	2.8
211.03947	4.3
212.04744	7.8
213.05473	2.2
214.06285	1.3
222.06848	0.9
224.04707	2.2
225.05537	6.3
226.06273	3.2
227.03426	1.1
227.07101	1.7
228.07706	1.3
236.04668	1.2
237.05504	2.9
239.07124	1.5
241.05069	1.7
241.12282	1.2
244.07372	2.2
251.07144	3.7
251.10637	1.3
252.07872	3.8
253.09409	1.3
253.12173	1.1
255.14008	2.1
265.08688	1.4
268.07413	4.2
269.08356	1.2
269.11871	8.4
269.14716	1.4
270.09015	3.8
270.12372	1.5
271.13464	37.2
272.13824	3.0
281.15253	1.0
283.10303	1.0
283.13364	4.4
285.14984	3.7
286.15350	1.0
287.05637	1.4
287.12946	4.9
288.06464	2.9
289.07315	1.6
289.14526	13.9
294.08997	5.8
295.13428	7.6
297.14984	4.6
299.12994	7.3
300.02747	1.6
301.14542	4.6
309.14987	2.6
311.12912	1.5
312.13855	1.3
313.14523	21.9
315.15970	4.6
317.14053	9.1
320.07016	1.5
325.14554	15.8
327.15988	1.6
331.15540	8.7
335.16547	3.4
337.14505	8.8
338.14917	1.4
343.15643	9.5
344.16003	1.1
351.16125	2.5
353.17633	3.3
355.15649	4.6
369.17126	1.4
377.17624	4.6
379.15491	2.2
391.19348	1.8
393.17044	2.6
395.18851	5.8
397.16455	1.8
401.17584	1.6
413.19666	2.3
419.18686	17.0
420.18903	1.4
437.19849	14.9
438.19778	1.6
447.09406	1.1
463.17764	5.5
481.18936	4.7
487.30804	1.4
525.23419	2.1
531.29785	2.0
537.23212	2.7
551.24890	1.8
567.15594	1.5
567.24567	30.2
568.24457	4.4
579.24640	15.0
580.24878	2.3
591.24536	11.1
592.25342	1.6
597.25732	12.6
598.25513	1.2
609.25494	1.2
633.25287	2.3
649.28662	2.3
673.28644	18.1
674.29254	3.4
691.27350	4.3
699.27087	6.4
717.27832	84.5
718.28058	17.2
735.28857	74.7
736.29279	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	735.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45094	0.2
55.01764	0.3
57.03330	0.6
59.01259	5.4
59.01538	0.4
61.98723	0.2
62.97182	0.2
69.03331	2.0
71.01264	3.8
71.04905	0.7
73.02834	0.7
81.03323	0.3
83.01254	0.4
83.04923	0.4
85.02840	0.8
85.06483	0.8
87.00771	0.7
89.02341	2.8
89.32067	0.2
93.03378	0.3
95.04909	0.5
97.06498	0.4
99.00787	0.3
101.02341	3.7
107.08551	0.2
109.06520	0.5
111.08036	0.4
113.02359	1.8
113.09605	0.3
119.03400	0.8
121.06480	0.2
125.02392	0.3
125.09624	0.7
141.09164	0.3
143.03473	0.4
145.04993	0.5
149.09642	0.7
150.55348	0.2
153.09172	0.3
161.04483	1.6
161.09746	0.2
161.13272	0.5
167.10724	2.6
168.11075	0.2
177.12781	0.8
179.05612	0.6
179.10774	1.3
179.14360	4.2
181.12250	0.2
187.11357	0.3
195.13873	16.0
196.14275	1.0
205.12308	9.5
206.12633	0.9
211.13396	0.5
223.13385	100.0
224.13724	6.5
225.14999	0.8
228.13742	0.4
231.21234	0.4
235.08221	3.2
253.09306	15.9
254.09589	0.6
256.13217	0.7
265.21823	0.4
275.20200	4.2
275.22937	0.4
293.21277	80.7
294.21603	7.2
441.21198	0.7
459.22470	11.5
460.22757	1.3
492.22076	0.4
499.34451	1.0
529.30127	1.6
735.43182	1.3
736.44226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.1
61.98714	100.0
62.98420	0.2
66.06760	0.1
72.68127	0.1
77.89653	0.1
78.91632	0.1
78.95815	0.1
92.55901	0.1
130.57811	0.1
209.11853	0.3
210.12180	0.2
280.29788	0.1
377.64203	0.1
390.22363	0.1
422.79071	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.5
58.93479	1.0
59.01265	2.4
60.09138	1.0
62.88092	0.9
63.02279	5.6
65.00205	7.9
65.00506	1.2
65.34721	0.9
69.24302	12.4
71.01266	1.3
73.02834	1.4
81.03326	2.0
83.01289	10.2
85.02873	1.0
89.02350	1.2
93.03364	1.9
97.02810	2.0
99.03532	1.0
107.01289	19.2
108.37882	1.1
109.02884	2.2
111.00797	1.6
119.04916	1.3
123.04396	1.1
124.01595	2.9
125.02361	22.3
135.02895	1.2
135.04404	1.8
137.02380	12.1
139.03868	1.0
145.02896	1.2
145.78825	1.1
149.02319	2.3
150.03108	1.1
151.00302	52.9
152.01030	3.6
153.01849	1.3
153.05347	1.1
159.04503	3.1
161.02403	2.9
163.00317	2.6
163.03937	2.1
164.01077	2.3
165.01874	3.5
167.03473	8.8
168.55411	1.0
169.01379	7.2
173.06053	3.1
174.03127	1.3
175.03876	2.1
177.01913	4.8
178.99823	56.5
179.03409	4.1
180.00163	2.9
183.04448	4.6
185.05988	2.0
187.03960	2.8
189.00287	1.1
189.01920	2.1
191.03345	1.4
192.00639	3.0
193.01369	15.1
198.03152	1.5
198.96692	1.1
199.03967	4.5
201.05502	6.2
202.02843	1.0
203.03481	4.2
205.01407	7.8
207.02950	10.6
211.03992	10.3
212.04752	2.3
213.01875	1.5
213.05539	2.4
214.02618	2.8
215.03473	7.7
219.02954	2.3
223.03839	1.6
225.05566	1.3
227.03494	10.6
228.04219	10.0
229.01361	5.5
229.05051	10.4
231.03000	3.7
233.01025	2.4
237.01723	1.3
239.03426	7.5
239.07228	1.1
240.04170	1.5
241.05023	3.8
242.02176	3.6
243.03001	8.5
247.02515	2.8
249.05719	1.2
251.03545	4.4
253.05077	2.5
254.05751	1.4
255.02975	8.1
255.06667	4.0
256.03714	9.5
257.04608	8.4
265.05042	6.1
266.05713	1.6
267.03000	6.5
267.06702	2.6
269.04599	1.7
273.05692	1.9
277.05060	2.1
279.03152	2.5
279.06329	2.3
281.04611	6.3
282.05115	1.6
283.02527	4.3
283.05841	1.7
289.05121	2.3
290.06052	1.7
291.06708	3.1
293.01221	2.3
293.04617	5.6
294.05185	1.4
295.06110	2.8
299.05792	1.7
301.05035	2.5
303.03043	1.2
305.04492	4.4
305.07877	1.1
306.05331	2.4
307.02628	2.3
307.06131	4.4
308.03403	1.4
309.03949	2.5
311.05573	1.4
316.03638	1.4
317.04755	5.8
319.06161	2.1
320.03265	1.2
321.04031	6.0
322.04761	2.9
323.05612	4.4
325.03525	1.5
329.04996	1.7
332.18948	1.3
333.04080	4.8
333.07709	2.2
334.04803	2.9
335.05463	5.2
337.03497	2.3
338.52420	1.2
343.06030	1.6
345.04095	4.6
346.04706	2.9
347.05594	3.1
349.03586	4.1
350.04367	15.5
351.05145	12.2
352.05698	2.0
353.03049	2.0
361.03625	4.6
362.04184	2.0
363.05118	20.3
364.05493	2.3
366.03879	3.8
367.04623	12.5
373.03473	4.1
374.04446	2.0
375.05161	2.9
377.06854	5.4
379.04691	9.3
380.05420	6.7
381.06268	7.6
387.05176	1.4
389.03119	2.7
390.03922	5.5
391.04626	22.4
392.05103	2.0
393.02399	1.3
401.03125	10.2
402.03644	1.6
403.04428	2.5
407.04355	3.0
408.04898	5.4
409.05612	13.0
410.06180	1.7
412.04749	1.6
413.02957	1.4
417.02371	2.3
418.03415	5.8
419.04147	100.0
420.04535	12.7
421.05386	1.5
431.04190	3.6
436.04214	1.7
437.05167	8.6
451.04800	1.2
485.08801	2.1
511.06531	1.3
512.06348	1.2
513.10577	7.4
515.30048	5.6
529.08325	2.4
529.43744	1.1
531.09460	2.3
533.31006	2.1
539.05725	5.0
557.07397	22.4
558.07745	4.4
569.09485	16.7
570.09515	2.3
571.10754	6.1
575.08423	96.2
576.08728	16.8
581.09515	12.2
582.09912	2.3
591.07715	1.3
599.10535	27.1
600.10901	3.9
693.15002	2.4
694.40991	1.2
709.13959	2.1
719.12640	8.3
720.13690	1.6
737.13757	76.7
738.14233	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	737.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.3
59.01265	37.0
61.98703	3.6
63.02279	8.0
65.00204	12.4
69.03350	8.6
70.85883	9.7
70.95221	2.6
71.01276	14.4
72.99206	4.0
73.02805	4.9
80.05807	2.7
83.01282	16.4
85.02867	5.4
89.02341	5.9
93.03370	3.3
94.30942	2.8
95.01296	7.7
95.04940	3.3
96.95899	37.7
97.02870	7.3
99.00775	4.0
101.02355	9.7
107.01302	17.7
109.02864	11.5
111.00784	26.0
113.02346	6.3
119.04945	51.2
121.02869	6.1
123.00813	8.3
124.01599	6.4
125.02354	46.4
133.02878	4.2
134.96738	3.3
135.02879	6.4
135.04442	6.5
136.98822	3.1
137.02370	24.8
139.00284	32.5
139.03958	3.5
141.01817	4.8
145.02856	3.8
146.03658	3.3
149.02341	7.7
151.00313	54.8
151.03954	7.4
152.01068	4.9
153.01918	17.2
159.04410	4.8
161.02428	6.6
163.00331	4.9
163.03966	40.6
164.01120	6.8
165.01868	15.6
165.99017	8.9
166.02406	3.0
166.99762	22.4
167.03444	9.6
169.01390	9.7
175.03969	8.1
176.01103	4.5
177.01849	5.0
178.98404	5.9
178.99840	58.4
179.03499	13.9
180.00189	5.0
183.04468	4.9
187.04012	7.2
188.04721	3.8
189.00233	3.4
189.01889	5.2
191.03348	3.8
192.00604	4.0
193.01437	14.3
194.99335	25.0
195.06557	3.1
199.03923	9.2
201.05540	10.1
203.03529	4.1
203.07146	6.6
205.01328	7.7
205.05057	4.8
207.02902	3.8
209.00826	5.6
209.11740	6.2
211.04109	10.7
213.01962	4.8
213.05632	5.9
214.02583	4.2
215.03479	14.1
217.05205	3.9
221.00896	6.5
225.05621	7.0
227.03479	21.0
228.04201	6.1
229.01514	5.9
229.05074	9.3
231.02939	4.1
233.00792	4.3
239.03520	7.3
240.04155	3.6
241.05048	9.8
243.02995	19.6
244.03461	4.3
245.08157	3.8
251.03447	7.2
253.05138	5.1
255.03044	12.6
256.03738	9.0
257.04553	9.2
265.05182	5.5
267.02917	8.5
267.06754	5.3
269.04669	4.9
277.05167	7.4
280.03876	4.2
281.04581	7.9
283.02573	7.6
289.07190	12.5
293.04468	7.6
295.02444	5.6
298.04596	3.7
301.04999	3.7
305.04526	5.2
307.05856	4.1
309.04071	5.7
317.04596	5.9
321.04147	8.6
323.05499	6.5
333.04114	7.9
335.05746	8.2
337.03641	8.0
339.05350	4.6
345.04010	6.6
347.05688	4.5
349.03372	5.4
350.04150	7.0
351.05200	12.9
361.03622	9.9
363.05139	16.6
365.03262	4.5
366.03857	11.2
367.04611	24.7
373.03738	4.4
375.05096	5.5
377.02942	7.3
378.03830	4.5
379.04437	17.4
380.05188	6.5
381.06284	4.9
389.03143	9.2
390.04059	4.2
391.04562	21.2
392.04816	7.7
395.04248	10.0
401.03122	7.2
405.02042	5.2
405.28040	6.0
406.03436	6.7
407.04248	16.8
408.04868	5.4
409.05795	12.0
417.02600	8.9
419.04150	38.6
420.04538	5.2
425.05270	8.4
435.03738	50.5
436.04074	9.1
437.05176	4.9
449.26965	7.5
453.04865	6.6
453.30630	3.8
467.28018	4.9
471.31564	6.6
473.29459	3.6
497.29419	7.8
501.08035	4.1
513.10175	9.0
515.30304	100.0
527.30420	6.1
529.07715	5.1
533.31262	5.4
545.07410	4.6
547.09161	8.4
551.21912	4.9
555.11908	5.9
563.08997	3.6
569.09900	5.6
571.11035	7.6
573.06818	20.8
575.08319	5.6
581.09503	6.9
583.11139	9.7
584.11853	4.2
591.07904	64.8
592.08411	9.2
599.10516	29.0
709.13574	4.3
719.12427	11.4
737.13885	78.5
737.26770	8.3
737.37799	13.0
738.13605	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	737.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01260	6.2
59.01546	0.6
61.98721	4.3
63.96128	1.7
69.03336	1.0
70.90937	0.3
70.91269	0.5
71.01270	8.8
72.99187	0.7
73.02856	1.9
73.03184	0.3
78.95786	0.7
78.98480	6.4
79.95624	14.1
80.30894	0.3
80.96408	72.3
81.03345	1.2
83.01286	0.8
83.04904	0.9
84.02096	0.4
85.02847	3.0
87.00762	3.3
89.02361	0.7
93.03395	0.4
94.97984	16.6
95.01287	0.4
96.95920	4.4
97.02828	2.2
99.00787	0.8
99.04387	0.3
101.02347	2.8
106.97987	2.8
108.02090	0.4
109.02850	0.7
113.02339	0.7
115.20289	0.3
119.04921	0.5
122.97475	3.4
123.04414	0.4
125.02373	5.3
127.03906	0.9
131.97792	0.3
134.97504	6.8
135.02881	0.4
135.04402	0.3
136.99037	1.6
137.02356	1.0
146.97473	0.4
148.99077	6.6
151.03934	0.4
152.98586	6.7
161.02388	0.7
161.04465	0.5
163.11232	0.5
164.98587	13.8
165.01819	0.7
167.00166	0.6
167.03505	0.4
171.10236	0.5
177.01878	0.5
179.00003	0.5
179.03351	0.3
197.11795	0.5
199.13577	0.4
206.99664	4.0
209.11826	6.0
210.12172	0.8
225.00748	27.1
226.01051	0.9
227.12756	0.4
283.04883	0.7
287.05881	0.4
289.07217	0.5
341.05539	0.3
420.41922	0.3
509.17206	5.4
510.17508	0.6
544.97913	0.3
577.65411	0.4
663.33453	0.6
737.30762	100.0
738.31073	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	737.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65582	0.5
59.01264	11.6
64.51835	0.6
69.03342	0.7
71.01263	7.1
71.13634	1.2
72.99170	0.5
73.02837	1.9
80.39150	0.6
85.02831	1.5
87.00784	0.9
89.02352	4.9
96.95879	1.1
101.02339	3.9
102.75372	0.5
113.02370	2.2
119.03407	1.1
125.02377	1.8
126.90416	1.2
137.02396	0.8
143.03445	0.7
161.04480	0.8
165.01895	0.6
179.03482	0.6
179.05577	1.7
190.02585	0.7
193.01495	0.6
300.02786	1.1
301.03531	1.1
319.54837	0.6
331.15009	0.6
358.50385	0.5
377.24805	1.0
392.27469	1.5
393.28024	0.7
395.26157	0.8
411.28976	1.1
423.29120	1.6
424.26288	4.3
425.26883	1.4
437.27072	3.9
438.27246	0.6
443.28137	0.7
455.28259	2.7
467.28262	1.7
469.57529	0.5
471.30914	0.9
485.29126	13.4
486.29572	1.0
515.30176	2.3
532.06952	0.6
533.31299	100.0
534.31622	15.5
584.65839	0.7
609.14813	1.2
677.35663	5.3
678.35950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.4
59.01263	34.5
59.97142	1.3
61.98720	2.9
62.06747	1.3
68.10239	1.2
69.03329	2.4
71.01266	23.2
71.57150	1.9
72.99205	2.4
73.02846	6.5
81.03381	1.7
83.01270	2.8
85.02845	5.1
87.00770	4.1
89.02333	20.9
90.02717	1.6
95.01287	2.4
97.02865	3.8
99.00779	1.7
99.34511	1.3
101.02352	18.9
111.04477	1.4
113.02349	10.4
119.03432	6.1
125.02341	8.3
131.03391	1.5
141.01662	7.7
143.03447	4.2
161.04544	4.7
167.03491	1.5
171.10300	1.6
179.05612	4.6
191.57901	1.2
207.10315	2.9
209.11835	13.6
211.13368	8.4
223.02184	1.5
225.11307	7.0
227.12909	2.8
235.08260	12.5
253.09395	3.7
271.02518	3.0
277.21878	1.4
279.23340	78.4
280.23691	5.9
287.07736	2.5
289.18094	1.8
291.19772	11.9
293.21365	3.5
299.01871	7.9
305.08749	4.7
307.19211	2.7
328.73904	1.6
340.18390	1.4
397.13574	100.0
398.13788	6.5
415.14661	34.2
416.14722	2.2
446.08423	1.7
527.29395	1.5
542.42419	1.7
545.18622	1.6
677.37268	3.1
737.41101	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.7
59.25522	1.1
59.51679	1.3
59.98961	1.2
61.98710	8.5
65.66795	1.4
69.03337	5.5
71.01269	7.3
71.04920	1.4
71.57608	1.5
75.14442	1.4
77.52167	1.2
78.95782	4.2
80.96413	3.5
85.02832	2.3
89.02323	3.1
96.95961	1.4
97.02880	1.4
101.02337	4.3
113.02380	1.6
123.08022	1.3
125.09642	2.4
151.11182	1.6
152.99475	1.6
161.04559	1.3
161.09680	3.3
166.61974	1.3
179.10698	7.3
197.11816	38.1
211.13489	1.4
253.09215	3.0
277.21790	51.1
278.22076	3.4
291.19812	3.0
293.21368	2.6
477.19507	1.4
553.37866	1.4
737.41296	100.0
738.41443	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	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23914	0.3
57.03327	1.1
59.01261	5.9
61.98717	5.6
69.99512	1.0
69.99925	1.0
71.01267	4.3
73.02825	0.5
80.02570	1.1
81.03340	1.3
83.01262	0.8
83.04922	4.2
84.02063	0.5
85.02841	1.3
87.00775	0.6
89.02340	2.9
92.22360	0.3
93.03369	0.5
95.01270	0.4
95.04932	1.6
97.02840	0.6
98.20537	0.5
99.00751	0.4
101.02340	3.9
109.06490	2.5
111.08067	9.0
113.02357	1.6
113.09615	0.8
115.03878	0.4
119.03454	0.7
125.02338	0.8
125.05993	0.4
135.08076	0.4
135.11736	0.6
137.09645	0.7
147.11742	0.3
151.00177	0.4
153.12854	0.3
155.10707	0.4
161.04501	1.4
162.58005	0.4
163.11221	3.9
164.11575	0.3
165.12885	1.7
166.60747	0.4
167.10677	1.9
171.10272	0.5
177.12775	1.4
179.05569	0.8
179.10696	1.5
181.12311	0.8
191.10719	0.9
195.13889	6.2
196.14177	0.5
197.11763	0.8
203.14436	0.5
207.10257	5.0
209.11812	77.1
210.12102	4.9
211.13353	0.9
212.49985	0.3
223.13351	0.7
225.11330	1.9
227.12874	12.7
228.13264	0.7
235.08234	3.6
247.20731	2.2
253.09322	10.1
273.18619	1.3
275.20221	0.6
277.21863	0.7
291.19717	100.0
292.20044	8.6
293.21313	5.5
294.21552	0.5
309.20755	0.8
329.21179	0.6
445.20822	1.0
461.20557	0.5
483.32239	0.4
509.27539	0.7
527.28735	8.9
528.29388	1.6
719.40161	1.2
737.41681	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	737.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	0.2
59.01262	15.2
60.01609	0.1
62.36628	0.1
69.59735	0.9
70.17483	0.1
70.98734	0.1
71.01233	0.2
80.04939	0.2
81.03342	4.0
83.04912	12.4
84.05228	0.2
89.22867	0.1
100.07616	0.2
107.06044	0.2
108.04432	0.4
125.07127	0.8
126.05519	0.3
143.08159	0.4
157.13379	0.2
167.38541	0.1
207.15002	0.8
224.17665	2.1
225.16077	13.5
226.16476	0.8
242.18730	0.5
290.22430	0.2
309.21820	0.8
324.26575	0.5
333.22858	0.6
341.29346	0.9
367.27188	1.5
368.27200	0.2
385.28125	0.5
433.31720	1.1
443.71762	0.1
450.34552	1.2
451.32996	9.2
452.33243	1.4
515.29962	0.2
533.31573	0.2
533.40826	0.2
550.43427	1.1
551.44135	0.3
559.39685	0.3
565.44812	0.4
567.45343	0.2
593.43933	0.7
659.48676	1.9
660.48944	0.5
677.49799	100.0
678.50128	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	738.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.7
60.01601	0.1
61.98716	100.0
62.98421	0.1
71.01268	0.4
83.01310	0.1
85.02879	0.1
89.02343	0.3
98.19769	0.2
101.02364	0.3
102.02718	0.1
109.96183	0.1
113.02375	0.2
119.03441	0.1
121.02940	0.1
121.81874	0.1
125.02377	0.1
151.00363	0.3
178.99887	0.1
182.50237	0.1
209.11812	1.1
211.13428	0.1
227.12903	0.1
230.53960	0.1
235.08247	0.1
243.03036	0.1
253.09427	0.1
255.03171	0.3
271.02515	0.7
277.21811	0.6
278.22101	0.6
279.22501	0.3
291.19946	0.1
293.21246	0.6
299.02002	0.7
300.02826	1.6
301.03549	0.9
397.13516	0.4
398.13913	0.5
399.14136	0.9
400.14462	0.2
415.14825	0.1
416.15085	0.2
417.15396	0.2
434.64709	0.1
446.08911	0.3
447.09348	1.2
447.14612	0.1
593.24207	0.3
739.30139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73457	0.0
55.59902	0.0
59.01262	0.9
60.01582	0.1
61.98715	100.0
62.98424	0.1
65.00209	0.2
71.01266	0.6
72.01620	0.1
73.02838	0.1
83.01314	0.1
85.02860	0.1
87.00764	0.1
89.02333	0.4
90.02660	0.1
93.03378	0.1
95.01291	0.1
97.02859	0.0
101.02362	0.5
102.02695	0.1
103.02740	0.1
104.26345	0.0
104.82652	0.0
107.01310	0.1
113.02373	0.2
119.03405	0.1
121.02879	0.5
125.02368	0.2
126.02703	0.1
139.04033	0.0
142.05392	0.1
143.03468	0.1
149.02357	0.1
150.51358	0.1
151.00339	0.2
161.04541	0.1
174.19368	0.1
175.00394	0.2
181.06178	0.1
186.97974	0.0
189.01944	0.1
203.03638	0.1
209.12010	0.1
215.03581	0.1
223.13451	0.1
227.03540	0.1
235.08368	0.1
236.08659	0.1
239.54933	0.1
243.02994	0.1
243.64183	0.0
245.08374	0.1
253.09323	0.1
255.03105	0.2
256.03806	0.1
263.62067	0.0
267.03055	0.0
271.02484	0.5
273.11423	0.2
277.21790	0.6
278.22153	0.7
279.22470	0.4
280.22791	0.1
283.02423	0.1
291.19812	0.1
293.21237	0.1
299.02072	0.8
299.09418	0.2
300.02780	0.8
301.03558	0.2
313.03799	0.1
313.10812	0.1
317.10306	0.5
325.03751	0.1
345.10046	0.1
359.11423	0.1
395.11444	0.1
397.13644	0.5
398.13928	0.7
399.14102	0.9
399.19540	0.1
399.22031	0.1
400.14395	0.4
401.15118	0.1
415.14752	0.1
416.15076	0.2
417.15103	0.3
418.15594	0.2
425.19879	0.1
437.16333	0.1
443.20825	0.7
445.07803	0.1
446.08524	0.3
447.09143	0.1
449.12573	0.1
463.14212	0.1
467.13400	0.5
471.20230	0.1
575.22528	0.1
592.23492	0.2
593.24017	0.9
739.29834	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	739.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.3
58.00474	0.9
59.01265	34.5
61.10001	0.7
65.00230	1.0
69.03315	1.3
69.36921	4.7
69.37331	2.1
71.01270	15.0
72.99210	1.1
73.02832	8.7
75.00755	1.4
81.03339	1.7
83.01275	7.9
83.04890	0.8
85.02844	7.4
89.02343	6.6
89.03859	2.9
93.03355	2.5
95.01285	2.4
95.04934	2.5
96.95939	4.2
97.02847	4.0
101.02346	11.4
107.04942	1.1
108.02118	1.4
109.02862	28.5
110.03204	1.0
113.02357	16.2
117.01856	2.0
119.03414	2.3
119.04940	2.2
121.02873	4.0
122.03625	1.0
123.04439	11.7
125.02358	20.0
131.03430	1.1
133.02879	11.7
135.02864	1.5
135.04430	3.3
137.02373	21.3
139.03938	3.0
143.03427	1.2
145.02898	1.7
146.03647	1.5
147.04413	1.6
149.02409	4.4
149.04472	2.6
150.03183	3.6
151.00349	1.1
151.03944	10.2
159.04471	3.0
160.05159	0.9
161.01079	1.5
161.02388	25.5
161.04529	2.7
161.05968	4.5
162.03128	2.6
163.00339	1.0
163.03957	1.9
164.01076	2.8
165.01846	3.9
167.03456	2.3
174.03098	0.9
175.03964	2.5
176.01118	2.1
177.01889	100.0
178.02225	4.0
178.99989	0.9
179.03456	5.3
179.05540	1.9
184.26585	0.7
187.04010	3.2
188.04758	2.6
189.01921	12.0
190.02531	0.9
191.03487	1.3
199.07622	1.1
201.01875	1.9
201.05551	1.9
203.03528	4.4
203.05591	0.9
203.07137	8.5
205.01414	2.3
205.05081	5.2
207.05064	1.6
211.04039	0.9
213.05603	1.7
215.03496	3.0
216.00653	3.7
217.01465	4.9
218.01862	1.4
221.08344	1.2
225.05652	0.9
227.03534	7.2
227.07115	2.3
229.01421	5.8
229.05035	1.3
231.03171	1.3
232.53545	0.8
237.05681	1.2
239.03532	1.5
241.05177	0.9
245.04561	1.9
245.08208	10.6
247.06123	1.3
249.64410	0.9
253.05029	0.9
255.02991	1.3
255.06682	1.7
257.04578	1.4
265.05005	1.0
269.04584	2.1
271.02554	0.9
271.06177	1.4
279.03012	1.0
281.04614	2.9
287.05673	9.2
289.07245	44.5
290.07614	2.3
293.04663	1.9
295.06284	1.1
297.04160	2.8
299.05710	2.1
307.02533	3.1
308.03247	1.4
309.03900	1.1
321.04147	6.3
325.03717	4.1
337.07211	1.5
339.05170	26.3
340.05453	2.1
341.06705	1.7
407.07837	2.0
417.06232	3.4
431.07971	0.9
433.09479	1.7
435.07260	11.5
436.07614	1.7
449.08780	16.7
449.14435	1.3
450.09131	1.8
451.10422	9.9
452.10593	1.0
455.31836	2.5
459.07150	7.7
469.29901	0.8
477.08252	1.3
486.29669	1.0
487.30585	3.4
517.31824	26.4
533.31525	3.1
534.31702	11.7
535.32794	41.1
559.32935	1.2
569.11078	9.6
570.11609	1.3
587.11981	23.3
588.12537	3.6
629.13135	2.1
679.36456	3.6
721.15710	1.4
739.16724	21.7
740.17010	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	739.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	1.1
58.00482	1.9
59.01262	11.1
65.00233	0.8
69.86367	2.9
69.86796	2.8
71.01261	2.7
72.99177	2.0
73.02816	1.4
75.00723	0.9
83.01266	2.4
85.02821	2.7
89.02329	4.3
98.19855	1.3
98.39628	0.8
99.00803	1.2
101.99414	1.1
107.01367	0.9
109.02852	2.4
111.00817	0.9
117.01855	90.4
117.05490	2.5
118.02213	1.2
119.04945	44.4
121.02868	1.7
125.02370	5.8
135.02879	1.2
137.02371	2.7
145.02873	2.9
145.06569	1.0
149.02420	1.2
151.00314	2.9
151.03947	1.3
159.02893	1.1
161.02357	3.0
161.04550	1.4
163.03958	52.5
164.01125	1.5
164.04292	2.1
177.01904	7.5
178.99847	1.2
189.04013	11.1
193.01341	1.1
201.05539	1.0
207.05087	100.0
208.05409	3.3
217.08690	1.4
223.04500	1.2
235.06091	4.1
245.95470	0.9
287.05597	2.4
289.07227	2.9
291.08746	9.3
331.13858	1.1
335.07715	9.3
339.04813	1.3
342.92041	0.9
353.08826	48.9
354.09225	3.0
369.10013	1.5
375.05298	2.0
448.08389	1.8
451.10352	1.3
469.41388	1.0
517.32208	2.4
535.32788	1.1
565.05664	1.0
569.11188	1.7
587.11731	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	739.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
58.00473	1.5
59.00990	1.3
59.01263	13.3
60.78614	0.7
63.08033	0.8
63.58863	0.7
65.64610	0.9
71.01273	6.7
71.56865	1.5
72.99194	1.6
73.02832	1.6
83.01272	2.2
85.02827	2.0
89.02339	6.5
96.95916	3.6
99.00801	1.4
101.02356	1.3
109.02851	3.5
113.02317	1.1
117.01854	91.4
117.05487	1.6
118.02190	1.5
119.04940	26.9
121.02869	1.5
123.04459	1.2
125.02368	6.7
128.58025	0.7
133.02893	1.9
134.43446	0.9
135.02887	2.2
135.04393	1.3
137.02364	3.2
145.02885	1.6
149.02354	0.9
151.00298	1.7
151.03896	1.3
159.04439	1.1
161.02379	3.3
161.05952	0.9
163.03952	32.4
164.04347	1.2
169.06107	0.9
175.03807	0.9
177.01910	9.2
177.05632	0.9
178.99780	1.5
179.03424	1.1
179.05519	1.7
189.02118	1.4
189.04012	8.2
203.07106	1.4
207.05084	100.0
208.05489	3.9
215.07094	1.2
217.01343	1.5
217.08687	0.9
229.01358	0.9
235.06090	4.2
245.08311	1.3
287.05649	1.5
289.07233	6.1
291.08841	10.5
306.07690	1.0
335.07761	7.8
339.05032	1.9
341.06659	1.8
351.96539	0.8
353.08865	45.3
354.09238	4.4
355.24863	0.8
369.09970	1.8
387.10675	0.9
407.08133	1.1
435.07437	1.7
449.09033	1.7
451.10687	2.4
459.07300	1.6
517.31641	1.0
535.33008	2.5
569.11041	3.4
587.11853	2.3
677.20758	0.9
679.37170	8.2
739.16510	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	739.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93622	0.4
57.57906	0.4
59.01268	1.4
61.98717	100.0
62.98420	0.7
63.02291	0.9
63.99139	0.8
65.00211	2.8
70.96030	0.4
70.96385	1.2
71.01277	1.1
83.01282	1.3
83.04910	0.5
85.02846	0.7
88.98726	0.9
89.02347	0.6
91.01775	0.4
93.03366	0.6
96.95903	2.5
97.02845	0.4
101.02351	1.2
107.01315	3.0
108.02077	0.4
109.02874	1.3
109.06435	0.4
113.02356	0.5
121.02863	4.4
124.01582	1.1
125.02376	1.7
137.02466	0.4
139.03992	0.4
143.04961	0.5
145.02884	0.9
148.01625	0.6
149.02386	0.5
151.00305	11.2
152.00829	0.4
159.04456	1.0
161.02336	0.6
163.00336	1.2
163.11209	0.5
165.12816	0.6
169.01411	0.8
171.04449	1.0
175.00218	0.7
178.99820	4.4
183.04503	2.1
183.13956	0.7
187.03983	1.4
189.01836	0.5
195.13866	0.4
199.03976	6.0
199.13266	0.6
201.01746	0.7
203.03458	1.3
209.11826	11.9
211.03883	0.5
211.13322	3.4
215.03418	2.2
225.11325	0.8
226.02841	0.5
227.03548	5.9
227.12901	3.4
231.03123	0.6
235.08240	0.7
235.16959	0.7
241.01535	0.5
242.02177	1.1
243.03033	10.2
244.03624	0.5
253.09335	1.9
255.03032	12.4
256.03613	1.4
262.43854	0.4
270.01706	1.8
271.02533	31.8
272.02991	2.8
273.11346	2.4
275.20261	1.0
277.21735	0.4
278.22025	0.5
279.22528	0.6
283.02402	0.5
288.65070	0.5
291.19742	0.8
293.21320	8.7
294.21536	0.6
298.01175	0.8
299.02029	67.0
299.09277	1.5
300.02756	38.9
301.03543	17.6
302.03867	1.2
309.20798	0.9
313.11023	0.6
317.10342	3.4
325.03387	0.7
345.09705	0.5
353.06607	0.6
359.11230	0.6
399.13953	0.5
399.21802	1.7
423.14633	1.0
425.19913	0.9
443.20895	5.4
444.20883	0.6
445.07901	6.9
446.08618	27.4
447.09348	19.9
447.14432	0.4
448.09729	1.9
463.14175	0.7
467.13629	2.8
471.20236	0.8
556.90668	0.5
557.21838	0.5
562.05365	0.5
575.23090	1.3
592.23175	1.6
593.24042	25.4
594.24451	4.6
635.25043	0.8
695.40253	0.6
739.29907	33.6
739.41577	1.4
740.30145	6.2
767.15967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
61.98711	1.0
65.00216	2.6
65.80536	0.4
70.03057	0.9
70.03456	1.7
83.01257	0.6
89.50056	0.4
93.03352	1.8
97.02829	0.6
107.01274	0.5
108.02091	0.5
109.02857	1.7
121.02859	9.3
123.00765	0.9
124.01556	0.8
125.02358	1.0
132.61342	0.4
135.00792	1.1
135.04420	0.5
136.01591	3.7
137.02377	2.6
139.03934	1.5
145.06506	0.6
147.00792	0.8
148.01569	0.8
149.02390	4.5
151.00314	2.3
152.01059	0.9
159.04395	0.8
161.02336	1.1
161.99422	0.6
162.98975	0.6
163.00320	8.6
163.07568	1.8
164.01115	3.3
165.01828	2.0
175.00302	3.5
175.03987	1.0
176.01067	1.4
177.01808	1.4
178.99786	1.9
187.03944	0.8
187.07602	2.1
189.01816	0.7
189.99033	3.7
190.02620	0.8
190.99754	1.9
191.03452	0.6
199.04007	0.9
201.05576	0.7
202.99823	1.2
203.03427	2.3
203.05138	0.5
203.07159	0.7
204.00505	0.5
205.01541	0.6
213.05568	0.7
214.02650	0.5
215.03535	0.9
215.07021	0.5
217.01486	0.5
217.05040	0.8
225.05528	0.5
226.02713	0.5
227.03444	1.3
228.04381	0.4
229.01369	0.5
229.05098	0.7
231.03123	0.6
231.06630	7.8
239.03392	0.6
240.04257	0.9
241.05103	2.7
243.02951	1.0
243.06569	0.8
244.03680	0.5
245.08188	0.5
255.03033	1.0
256.03757	1.8
257.04486	1.8
259.06253	2.1
267.03067	1.2
268.03806	0.8
269.04547	1.7
271.02505	2.8
283.02496	2.0
284.03210	2.4
285.04071	3.0
285.15207	0.8
286.04575	0.5
295.02563	0.9
296.03143	0.5
297.04016	0.6
299.02069	2.9
300.02750	4.1
301.03461	2.1
305.14072	0.7
311.02075	1.3
311.13171	0.7
312.02835	7.8
312.13861	0.6
313.03589	20.9
314.04285	6.3
325.03763	2.5
327.05173	0.6
329.13925	3.0
330.14655	1.1
331.15448	0.7
340.02255	1.3
341.03067	1.5
346.03256	0.5
353.03055	0.6
353.06763	2.1
355.11823	1.5
365.10141	0.6
373.12991	8.3
374.13568	2.7
381.09930	11.8
382.10620	4.5
399.21793	2.0
400.22266	0.4
401.12448	1.5
409.09387	1.2
425.19693	1.0
443.20847	3.9
449.19806	0.6
471.20718	0.7
495.16837	1.0
505.15353	0.9
523.16229	9.7
524.16913	7.6
525.17737	0.8
563.97534	0.5
575.23126	1.7
577.24164	1.0
592.23279	2.9
593.24042	34.7
594.24451	4.2
670.22601	0.6
739.29834	100.0
740.30219	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	739.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59825	0.7
65.00195	5.0
69.47712	5.4
78.95753	1.1
81.17822	0.7
93.03352	3.0
94.45438	0.6
95.04930	0.7
96.96886	0.7
97.64604	0.6
108.02048	0.9
109.02848	2.5
114.61784	0.6
118.99853	0.6
121.02867	13.8
125.02329	1.6
133.02798	0.7
135.04457	1.1
137.02342	0.9
139.03938	2.2
148.01552	1.7
149.02400	4.9
149.99532	0.8
151.00281	2.5
152.18253	0.7
152.99533	0.6
159.04387	1.3
161.02373	1.8
163.00269	2.4
165.01901	0.7
175.00314	3.7
175.03998	1.3
176.01012	0.9
177.01826	2.2
178.99860	1.2
189.01891	0.9
199.03889	1.2
201.01904	0.8
202.02707	0.8
202.99864	8.4
203.03406	2.8
215.03416	1.2
216.00662	1.7
216.04315	1.6
219.13846	1.1
223.13277	0.7
225.12878	1.0
226.02328	0.6
227.03537	1.2
230.02121	1.6
231.02980	1.5
231.06599	0.6
232.03818	0.9
238.69446	0.6
241.05072	0.7
243.03166	0.9
243.13795	0.9
245.11842	1.9
247.13522	0.8
255.03035	1.3
256.03735	2.5
266.83710	0.7
269.11835	1.5
271.02496	5.0
272.03119	1.3
281.04712	0.8
285.04443	1.2
285.07693	4.4
287.12921	3.7
297.04111	1.1
299.02011	4.6
300.02802	14.0
301.03485	1.8
313.03571	6.6
313.10907	2.4
314.04190	2.0
316.13040	2.4
325.03638	2.7
331.11972	12.2
332.12601	0.9
353.03009	4.5
353.06799	2.1
355.22736	0.8
357.20642	0.8
359.11426	4.6
360.11957	2.2
373.12979	0.8
381.20990	1.2
399.21774	5.2
415.21164	1.0
423.10599	1.1
425.19669	3.6
435.10953	3.7
437.16068	1.6
443.20880	12.2
444.21332	1.6
449.11444	0.8
463.13925	3.3
471.20084	1.8
477.16296	0.8
481.15094	13.1
482.15744	3.8
575.23273	2.0
577.24500	0.8
592.23120	6.9
593.24048	48.0
594.24384	7.6
635.24561	1.2
739.29816	100.0
740.30170	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	739.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24927	0.3
59.01274	0.6
65.00204	2.1
66.10989	0.4
69.40817	3.3
83.01334	0.4
93.03361	2.1
95.01319	0.4
96.95944	1.6
107.01323	0.9
108.02080	0.4
108.43929	0.3
109.02860	4.1
119.01423	0.4
121.02873	8.1
121.03668	0.6
123.00874	0.6
124.01591	0.5
125.02369	0.5
133.02969	0.5
135.00847	1.2
136.01625	0.8
137.02354	1.9
139.03984	1.3
143.08615	0.4
145.06546	0.7
147.00880	0.8
148.01610	0.6
149.02367	3.3
150.02960	0.3
151.00304	2.6
159.04443	1.0
160.01654	0.5
161.02429	1.1
161.99509	0.4
163.00323	9.1
163.01642	0.6
163.04062	0.4
163.07635	1.5
164.01126	2.0
165.01924	1.7
171.04530	0.4
174.03169	0.4
175.00346	1.8
175.03909	0.5
176.01085	1.1
177.01932	1.6
178.99875	1.0
181.01427	0.5
187.04034	0.9
187.07671	1.5
189.01904	1.0
189.99059	4.9
190.99826	3.3
191.03389	0.5
191.07123	0.4
192.00600	0.4
197.06081	0.6
199.03923	0.5
201.05556	0.5
202.99863	1.0
203.03488	1.3
205.01443	0.6
209.11794	1.0
211.13274	0.6
212.04858	0.4
213.05615	1.3
214.02728	0.6
215.03526	1.3
217.01369	0.5
225.05556	0.6
226.02591	0.5
227.03586	1.5
229.01518	0.5
229.05145	0.9
231.03177	0.8
231.06612	7.2
232.07060	0.4
239.03592	0.7
240.04274	2.3
241.05032	3.2
242.02219	0.4
242.05728	0.6
243.03003	1.5
243.06636	0.7
244.03824	0.5
245.04575	0.5
253.05183	0.4
255.02960	2.3
256.03857	2.4
257.04535	5.0
259.02509	0.5
259.03586	0.4
259.06213	3.2
266.02231	0.5
267.03128	1.4
268.03787	2.3
269.04596	3.5
270.01740	0.8
271.02515	4.4
272.03223	0.9
281.04944	0.4
283.02567	1.4
284.03296	2.1
285.04092	18.5
285.15054	0.9
286.04617	1.9
287.12759	0.6
294.01834	1.1
295.02472	3.0
296.03271	0.6
297.04193	1.1
299.02106	3.2
299.05179	0.6
300.02765	4.0
301.03558	1.4
309.11237	0.5
311.02151	2.4
312.02762	1.9
313.03586	12.1
313.21887	0.5
314.04324	17.0
315.04803	1.8
325.03622	1.8
327.05014	2.1
328.05563	0.4
329.14059	2.5
330.14822	1.3
335.05820	0.5
340.02298	5.2
341.03082	5.6
341.07031	0.6
345.13647	0.5
346.03357	5.4
353.06763	3.2
353.10498	1.0
355.11975	1.0
363.08713	0.4
367.08328	1.5
373.12936	6.7
374.13657	3.4
375.14407	0.7
381.09906	31.3
382.10437	5.2
385.13068	0.5
395.07632	3.3
396.08170	0.6
399.21893	1.7
401.12567	0.7
409.09293	3.3
425.19742	1.8
435.10437	0.4
443.20798	6.2
444.21191	1.4
446.08762	1.0
449.12421	0.5
463.14221	1.4
471.20248	1.7
480.18472	0.4
495.16702	1.4
507.16843	0.6
523.16138	4.7
524.16937	10.8
525.17517	1.0
575.23181	1.5
576.24042	0.4
592.23218	4.3
593.24005	59.2
594.24286	8.2
635.25256	1.3
739.29816	100.0
740.30182	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	739.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	0.7
59.01292	1.8
61.98728	1.3
65.00211	4.6
69.68340	3.8
71.01322	0.6
83.04939	0.7
88.98780	0.5
93.03371	3.2
94.27240	0.6
95.12119	0.5
96.95947	1.3
98.19863	0.8
101.02387	1.3
107.01361	1.0
107.14161	0.5
109.02881	3.3
121.02868	14.2
124.01674	0.6
130.05406	0.5
133.02928	0.7
135.04509	0.8
139.04019	2.3
147.00922	0.9
147.04482	0.6
148.01643	0.5
149.01286	0.7
149.02380	4.0
149.99593	0.8
151.00293	3.0
158.95151	0.5
159.04506	1.3
161.02449	2.1
163.00407	1.9
164.01143	1.1
175.00320	4.2
175.03940	1.2
176.01118	1.0
177.01883	3.2
178.99864	1.6
189.02005	1.1
190.02721	1.0
190.99982	0.6
192.00656	0.6
193.01436	0.5
195.13924	1.0
199.04059	0.8
200.04608	0.6
202.99832	11.2
203.03456	3.7
204.00465	1.4
204.04195	0.7
209.11795	12.3
210.12100	0.8
211.03908	0.6
211.13466	2.1
215.03583	1.9
216.00620	2.6
216.04323	2.1
217.01413	1.6
217.05103	1.0
218.93964	0.6
221.01019	1.1
221.33789	0.6
223.13464	0.8
227.03511	2.2
227.12903	1.2
228.04282	0.9
229.05067	0.7
230.02328	0.9
231.03065	1.0
243.03072	1.7
245.04529	0.9
245.11806	1.3
247.13640	0.9
253.05156	0.7
253.09433	1.8
255.03078	4.2
256.03864	1.7
257.04361	0.7
269.04605	0.7
269.11887	0.9
270.05466	1.5
271.02502	10.6
272.03110	1.1
281.04675	1.2
283.02496	0.8
284.03372	1.1
285.04196	2.3
285.07816	6.4
287.09683	0.7
287.13034	2.0
289.14490	1.0
293.21231	6.1
295.02686	1.4
295.06061	0.7
297.04169	1.4
299.02002	11.2
300.02808	17.1
301.03482	3.7
308.03323	0.7
309.04218	1.1
309.20670	0.7
313.03607	1.5
313.11017	1.6
313.14450	0.7
314.04449	2.1
315.12488	0.9
316.13113	4.1
323.05728	0.8
324.03076	1.0
325.03656	4.8
325.07120	0.8
327.08804	1.1
329.14426	0.6
331.11926	5.6
333.13681	1.9
335.05655	0.9
352.02066	1.0
353.03131	12.5
353.06906	3.5
354.03601	1.5
354.07373	0.8
355.22830	0.9
357.20837	0.6
359.11392	3.3
360.12128	2.6
367.04568	1.2
373.13239	1.0
381.10022	0.9
381.21021	0.7
399.21860	7.0
400.22501	1.2
425.19803	3.9
427.53076	0.7
435.10913	20.5
436.11261	1.6
443.20853	15.8
444.21249	1.9
446.08759	2.3
453.15314	0.6
462.08530	0.7
463.14160	3.5
471.20221	2.3
481.14990	6.2
482.15894	3.3
483.16364	0.7
509.15009	1.1
523.16095	1.2
575.23059	2.3
592.23248	7.8
593.24023	75.3
594.24396	11.3
635.24969	1.6
739.29834	100.0
740.30157	17.3
740.42535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.7
61.98743	0.2
63.02295	0.3
65.00230	0.5
68.99684	0.1
71.01279	0.1
71.07146	0.4
75.41475	0.1
76.91626	0.1
83.01273	0.4
83.04919	0.2
85.02809	0.2
89.02341	0.2
100.99682	0.1
101.02324	0.4
107.01284	0.9
108.02107	0.1
109.02832	0.6
111.08089	0.2
111.43764	0.1
113.02377	0.2
115.05415	0.1
121.02869	0.5
125.02350	0.2
133.02872	0.6
135.00772	0.3
142.02647	0.1
143.04903	0.2
147.00787	0.4
148.01596	0.2
149.02438	0.2
151.00291	1.6
155.04956	0.3
157.02872	0.3
161.02417	0.3
161.04460	0.2
163.00346	0.2
163.11197	0.2
164.01111	0.2
165.12805	0.2
169.01442	0.2
169.12346	0.2
171.04466	1.0
175.00313	0.3
175.03979	0.8
178.99846	0.2
181.12302	0.2
183.04453	0.4
183.13829	0.3
185.02417	0.2
187.03894	0.7
189.01891	0.2
195.13959	0.2
197.02357	0.3
197.11861	0.6
198.03165	0.2
199.02151	0.2
199.03981	3.6
199.13371	0.7
201.01871	1.0
203.03479	0.4
209.11839	2.2
210.12128	0.2
211.13379	3.8
214.02753	0.1
215.03479	1.4
223.13506	0.1
225.01942	0.2
225.11365	0.3
226.02673	0.5
227.03505	3.0
227.12904	1.4
228.03859	0.2
235.08221	0.4
242.02203	0.3
243.03008	2.7
244.03790	0.2
253.09361	0.8
255.03024	1.0
271.02530	43.0
272.02826	2.4
273.11478	0.3
275.20346	0.1
282.01727	0.4
291.19751	1.0
292.19894	0.3
293.21335	1.8
299.02020	100.0
300.02609	12.4
301.03378	0.6
309.20776	1.6
317.10437	0.7
325.03793	0.1
331.12048	0.2
399.21863	0.3
425.19635	0.3
443.20660	0.7
444.20840	0.2
445.08188	0.2
446.08630	25.7
447.09006	2.4
447.22382	0.2
463.21661	0.2
467.13492	0.8
468.13794	0.1
471.20175	0.3
575.23285	0.3
592.23340	0.6
593.14502	0.3
593.24042	6.0
594.24390	0.9
721.41736	0.2
739.29846	13.8
740.30121	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	739.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.6
59.01264	3.9
61.98719	4.1
63.02284	1.1
63.41062	0.5
64.38414	0.5
65.00220	1.7
71.01270	2.1
71.49935	1.1
78.95744	0.5
83.01260	1.8
83.04917	1.1
87.00777	0.7
88.98662	0.6
89.02348	1.3
92.08675	0.5
101.02345	1.4
107.01291	4.3
108.02087	0.7
109.02872	1.5
109.06464	0.7
111.08089	1.1
113.02354	0.9
118.11737	0.5
121.02808	1.0
123.04532	0.5
124.01544	0.9
125.02347	2.4
133.02873	1.0
133.40857	0.5
148.01578	1.3
148.19122	0.5
151.00301	9.6
151.03966	0.6
152.99460	0.8
161.02361	0.7
161.04475	1.0
163.00357	1.2
163.11227	1.1
164.01114	1.9
167.35315	0.5
168.00645	0.7
169.01346	1.8
169.02689	0.5
169.12312	0.7
171.04445	1.3
173.87257	0.6
175.04041	1.0
178.99796	3.5
183.04456	0.6
183.13896	0.9
187.03984	1.3
195.13892	1.6
197.11832	3.4
199.04004	4.6
199.13382	1.3
201.01920	1.6
207.10271	1.3
208.85519	0.5
209.11816	23.0
210.12155	4.0
211.03909	0.5
211.13405	15.9
212.13657	0.6
215.03485	2.3
216.04341	1.0
225.11345	0.6
226.02731	1.1
227.03522	5.8
227.12886	5.4
228.13280	1.1
235.08310	1.8
243.00798	0.7
243.03033	7.4
244.03714	0.8
253.09303	5.5
254.02306	1.2
255.02982	5.6
271.02539	73.1
272.02890	4.4
275.20279	1.0
277.21893	0.7
283.02460	2.7
284.03143	0.7
289.07343	0.9
291.19766	10.6
292.20050	7.1
293.21298	15.1
294.21603	1.6
299.02042	100.0
300.02777	67.0
301.03561	28.8
302.03989	1.4
309.20670	5.0
399.21970	0.8
443.20657	0.9
446.08630	8.8
447.09421	19.0
447.22424	1.5
448.09753	1.6
463.21939	0.7
471.20279	0.5
575.22736	0.8
592.23401	2.3
593.24030	32.4
594.24475	4.8
635.25183	0.9
725.52319	0.6
739.29877	61.5
740.30170	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	739.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68357	0.2
55.03955	0.2
57.03322	0.2
59.01263	21.8
59.92072	0.2
60.01613	0.3
61.98716	2.9
68.72252	0.2
70.15803	0.2
70.91437	0.6
71.01266	1.3
71.04908	0.8
72.99185	0.4
73.02836	0.7
75.00748	0.4
75.60530	0.2
83.01263	0.6
85.02867	0.5
89.02328	1.4
95.01286	0.3
96.95911	1.0
98.95510	0.2
99.92487	0.5
101.02360	1.4
101.37189	0.2
107.04947	0.2
113.02341	1.0
116.92757	2.3
119.03411	0.4
119.04958	0.7
125.02403	1.4
125.78593	0.3
135.02881	0.5
135.04454	0.6
137.02350	0.7
139.03957	0.3
151.00331	0.4
151.03899	0.4
157.78912	0.2
161.02380	0.7
161.04544	0.5
162.03069	0.2
163.03954	0.7
165.01833	0.5
165.05605	0.3
171.10211	0.2
179.03456	0.3
193.05086	0.2
209.11829	0.4
241.05037	0.5
271.02762	0.3
283.02393	0.3
289.07123	0.7
316.02271	0.3
353.24756	0.3
376.96622	0.2
377.28693	1.2
379.30035	0.6
389.28796	0.4
404.74280	0.2
407.29654	4.7
408.29810	0.4
409.27972	0.5
423.29147	0.8
424.29581	0.3
425.30566	1.5
439.28912	0.4
451.28610	4.0
452.28888	0.3
457.29559	0.6
463.08887	0.6
469.29736	5.2
470.30261	0.7
473.32828	0.7
499.30823	6.2
500.31015	0.8
511.30371	0.5
517.31793	100.0
518.32129	16.0
529.31482	1.7
535.32855	0.4
679.36426	1.2
699.22601	0.2
739.40283	1.4
740.38904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59116	0.2
57.87365	0.2
58.00478	0.2
59.01261	25.1
60.01603	0.3
67.51888	0.2
69.40057	1.4
69.40455	0.5
71.01262	1.0
71.04910	0.6
73.02831	0.2
82.12927	0.2
83.01287	0.2
85.02829	0.3
89.02340	1.0
96.17046	0.2
101.02330	1.3
109.02839	0.3
113.02332	0.7
119.03410	0.8
119.04984	0.2
125.02375	0.3
126.23096	0.2
137.02367	0.4
151.00304	0.5
161.02370	0.2
161.04387	0.4
175.11234	0.3
177.01849	0.9
178.99803	0.6
179.77403	0.2
180.00131	0.3
201.05696	0.2
221.06415	0.2
289.07266	0.5
321.75162	0.2
323.23260	0.2
363.04803	0.3
375.26862	0.3
377.28598	1.2
379.30383	0.2
389.28400	0.5
391.26617	0.2
392.27222	0.2
395.29587	0.6
405.28015	0.3
406.28778	0.4
407.29636	2.6
408.29993	0.5
409.27490	0.8
419.04086	0.5
420.04666	0.4
421.04602	0.5
421.27402	0.3
423.28955	0.3
425.30719	1.2
439.28427	0.3
444.80930	0.2
451.28632	6.4
452.29022	0.9
455.31857	0.2
457.29471	0.3
469.29672	20.9
470.30035	3.6
483.31396	0.4
487.30667	4.4
488.30884	0.7
499.30780	3.6
500.30978	0.3
517.31781	100.0
518.32117	16.7
518.40173	0.3
529.31616	0.8
577.08978	1.0
631.34662	0.4
649.36072	0.7
679.37225	2.9
680.37323	0.6
739.14563	0.7
739.39594	1.5
740.39417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	26.1
69.27139	3.0
69.27547	0.5
71.01271	2.2
71.04924	0.4
72.99172	0.4
73.02829	0.9
75.00735	0.5
79.66983	0.3
83.01289	0.4
85.02847	1.0
87.00763	0.6
89.02335	0.9
93.92146	0.3
96.95912	1.0
98.52058	0.4
101.02354	0.9
113.02334	0.7
119.03400	0.6
119.04948	0.8
122.90453	0.3
125.02394	0.7
135.02963	0.4
135.04468	0.5
144.30536	0.4
151.00302	0.4
163.03926	0.5
175.04091	0.3
209.11792	0.5
223.32893	0.4
227.12776	0.5
240.46042	0.4
289.07068	0.4
379.30032	0.6
389.28647	0.5
407.29623	1.3
409.27170	0.4
419.29529	0.5
421.27441	0.4
425.30786	1.7
437.30557	0.6
451.28641	2.5
469.29782	2.5
470.29922	0.4
473.32785	0.5
481.29663	0.6
487.30383	1.6
499.30716	7.6
500.31183	0.9
511.31192	0.4
517.31781	100.0
518.32123	16.0
524.99011	0.4
535.32697	2.6
541.32068	0.5
577.34222	0.4
668.88000	0.4
679.37244	1.5
739.39984	2.2
740.40363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50366	0.6
57.03310	0.8
58.00491	0.8
59.01264	24.5
61.98708	0.9
65.17918	0.6
69.70148	4.6
71.01272	11.4
71.04898	3.1
72.99196	0.9
73.02825	2.3
75.00762	2.2
78.95759	1.2
83.01284	1.0
83.04903	2.9
85.02833	4.0
87.00803	0.8
89.02334	8.8
95.01283	1.2
96.95908	3.0
99.00763	0.8
100.39465	0.7
101.02332	10.1
109.02850	0.9
113.02361	4.8
119.03387	4.0
119.04888	0.8
125.02367	4.0
135.02895	1.8
135.04408	1.1
137.02350	1.5
151.00337	3.2
151.03963	1.0
161.02359	0.9
161.04572	1.1
174.34352	0.7
177.01909	1.5
178.99806	1.9
179.03471	1.4
179.05501	2.1
185.11804	0.8
193.01251	0.8
193.05028	1.3
203.12936	3.7
204.13283	0.9
243.03055	0.9
245.13878	2.3
246.14288	1.3
255.06767	0.8
260.24710	0.8
299.05685	1.1
300.02704	1.3
301.03549	2.2
302.03442	0.8
309.22226	1.1
373.25571	1.0
375.27173	1.1
387.26050	0.9
389.28699	1.4
391.26578	0.9
405.28275	4.7
407.29813	3.3
413.27261	1.0
423.29059	1.3
447.09424	1.0
449.09894	1.4
455.31778	10.8
456.31845	1.7
469.29745	4.6
471.30463	0.8
473.32898	4.4
474.33188	1.0
497.33267	1.5
499.30707	3.3
515.33429	0.8
517.31793	54.3
518.32025	9.0
535.32819	5.5
536.33209	1.6
550.96979	0.7
577.34253	1.3
619.98236	0.7
649.36023	0.9
661.35883	1.6
679.37103	100.0
680.37415	20.8
718.60461	0.8
739.35767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21051	0.5
55.01757	1.4
57.03328	3.1
58.00473	1.0
59.01264	62.6
60.01594	0.6
60.99185	0.8
61.98717	6.9
69.03340	0.6
69.56765	4.2
69.57086	0.6
70.23797	0.5
71.01266	19.8
72.99194	1.9
73.02831	4.1
75.00772	1.0
77.78373	0.5
78.95797	1.4
81.03377	0.7
83.01273	3.5
83.04920	3.1
85.02835	9.2
87.00756	1.5
89.01830	0.9
89.02339	11.7
95.01295	1.9
96.95913	8.5
97.02847	1.2
98.77713	0.6
99.00758	1.7
101.02349	15.2
107.01285	0.8
109.02869	2.8
111.00775	0.9
113.02352	9.2
119.03444	4.2
119.04933	0.8
119.08575	0.7
122.98460	0.5
123.04459	1.3
125.02372	3.8
126.02737	0.6
128.06676	0.7
129.01843	0.9
133.02856	0.9
134.03598	0.8
135.02899	1.5
135.04408	1.8
137.02390	3.7
139.04015	0.6
143.03453	1.1
147.02934	0.7
149.02414	0.8
150.03120	0.7
151.00290	2.2
151.03989	1.1
152.99524	1.0
159.02972	0.8
161.02377	2.4
161.04477	4.7
161.08046	0.5
163.00391	0.8
163.03955	0.9
164.00999	0.8
167.03416	0.9
177.01894	7.9
178.99837	1.9
179.03444	1.7
179.05556	3.5
179.06969	0.5
180.00150	0.9
191.01949	1.5
193.05074	1.5
203.07106	0.7
229.01443	1.0
245.08234	1.1
255.02995	0.9
281.04077	0.6
287.05603	0.9
289.07324	4.1
300.02744	0.8
337.07446	0.7
339.04968	2.1
361.88998	0.6
371.27509	2.2
372.27884	0.8
373.25607	0.8
385.25714	0.7
387.27008	1.3
389.28549	1.1
403.26437	1.4
405.28088	1.4
407.29593	1.5
409.27209	0.6
419.04062	0.8
420.04425	1.1
421.04871	1.3
421.27676	1.0
425.30432	1.0
435.07437	0.9
437.30832	2.6
439.28629	1.6
449.08743	1.5
451.10306	0.6
451.28510	1.9
453.30359	2.2
454.29831	0.7
455.31744	2.5
459.07318	0.8
469.29514	5.6
470.29913	1.1
473.33099	2.8
487.30765	3.3
499.30865	8.8
500.31519	1.5
515.30176	0.7
516.30658	0.9
517.31787	100.0
518.32153	15.7
534.32172	0.6
535.32666	5.4
536.33228	0.7
559.32843	4.6
576.09369	0.6
577.08936	1.5
587.12012	1.7
599.33942	0.6
617.37024	1.0
635.38031	2.2
649.35553	0.6
678.50360	3.4
679.37189	50.4
679.49988	3.6
680.37360	10.3
723.35950	10.5
724.36108	1.3
739.15259	2.1
739.39862	5.8
740.39673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
59.01260	10.5
59.07360	1.1
59.10115	1.1
61.98702	3.3
70.18173	5.5
71.01269	7.9
71.04906	2.9
78.95795	10.4
83.04935	1.7
84.96758	1.1
85.02802	2.0
88.69883	1.2
89.02322	2.7
95.04910	2.0
97.02819	3.5
97.06486	2.0
99.00784	8.8
101.02330	4.7
108.05614	1.1
108.48532	1.2
109.06473	2.0
111.08070	1.3
113.02354	2.3
125.09657	6.4
142.02599	1.7
152.99554	6.2
161.04506	2.0
163.11150	6.5
171.10204	17.9
179.05557	1.5
181.12325	10.1
195.13881	2.8
197.11862	3.2
199.13370	11.4
201.11276	2.6
207.10234	23.7
209.11850	2.1
211.13387	8.0
225.11314	42.6
226.11723	1.8
227.12878	2.6
235.08240	4.0
238.60962	1.1
243.12473	7.3
253.09346	6.9
275.20273	1.3
277.21790	81.1
278.22150	7.6
291.19794	9.1
293.21304	14.2
301.22955	1.2
443.18808	2.1
445.20181	1.9
461.20374	5.0
479.21646	1.3
720.88068	1.3
721.41705	5.9
739.42780	100.0
740.43127	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	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	11.5
61.98707	7.9
62.74406	1.6
71.01271	17.1
71.04898	2.2
71.24599	3.7
73.02808	3.5
77.04689	1.6
78.95784	12.6
83.01286	2.3
85.02842	3.5
87.00774	2.3
89.02339	5.9
96.95909	2.1
96.96899	2.4
97.02865	2.7
97.06454	2.9
99.00774	10.2
99.54928	1.6
101.02332	5.8
102.77017	1.8
111.08141	1.9
113.02312	4.0
119.03455	3.2
125.09626	4.3
143.54056	1.8
148.15479	1.5
152.99515	7.7
161.04463	3.4
161.25536	1.8
163.11197	8.1
169.12312	2.3
171.10223	27.2
181.12306	14.6
183.13809	3.4
185.11768	5.7
195.13896	3.2
197.11815	5.8
199.13388	36.9
200.13858	1.6
201.11237	3.9
207.10240	37.8
209.11792	8.1
210.49130	1.8
211.13370	38.0
225.11333	73.0
226.11617	4.5
227.12868	24.4
235.08202	5.3
243.12379	15.3
244.12952	2.4
246.14479	1.8
253.09373	13.9
274.27527	1.5
275.20392	3.2
277.21783	76.2
278.22214	6.4
291.19708	15.5
293.21210	19.8
294.21628	2.9
383.87759	1.9
443.18927	2.2
445.20331	2.6
461.20343	10.7
463.21817	3.9
485.32541	2.0
613.66333	1.9
721.41962	5.6
722.41437	2.3
724.25122	1.9
739.42871	100.0
740.43481	18.2
745.49170	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	739.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.1
57.03331	0.3
57.13734	0.1
58.00468	0.2
59.00990	0.2
59.01263	2.5
61.98717	1.8
69.03330	0.2
69.33485	0.7
69.33909	0.5
70.21371	0.1
71.01263	2.3
72.99216	0.2
73.02840	0.4
80.02570	0.8
81.03350	1.0
82.97288	0.1
83.01277	0.3
83.04915	3.6
84.02059	0.6
85.02854	0.6
87.00768	0.5
89.02339	1.5
93.03324	0.2
94.51205	0.1
95.01293	0.3
95.04931	0.6
97.06488	0.2
99.00769	0.2
101.02348	2.3
107.01257	0.1
109.06527	0.3
111.08050	0.3
113.02367	1.2
113.09594	0.1
119.03397	0.7
125.02371	0.3
125.05996	0.5
125.09608	0.2
127.11195	0.1
133.05066	0.2
135.08119	0.6
136.13155	0.1
143.03453	0.3
145.04996	0.4
147.11746	0.2
151.00313	0.5
161.04524	1.3
163.11237	3.4
164.11609	0.2
165.12805	2.1
168.81439	0.1
169.12283	0.2
171.10266	0.3
178.99820	0.3
179.05522	0.3
179.14398	0.3
181.12306	0.5
183.13892	0.3
191.10733	0.9
195.13885	2.7
196.14485	0.3
197.11678	0.2
199.03963	0.3
205.12344	0.3
205.15895	0.2
209.11815	100.0
210.12144	5.8
211.13361	1.4
223.13394	2.2
224.14142	0.1
225.14925	0.2
227.03467	0.3
227.12886	10.6
228.13313	0.7
230.71843	0.1
231.21222	0.2
235.08232	3.0
243.03084	0.6
253.09325	10.6
254.09668	0.5
255.02951	0.5
256.13138	0.3
265.21884	0.1
266.97610	0.1
271.02472	2.0
275.20221	2.9
276.20615	0.1
289.17947	0.1
291.19696	0.3
293.21289	36.8
294.21606	3.2
299.02017	3.9
300.02725	2.0
301.03577	1.0
309.20798	0.2
372.28433	0.1
445.07736	0.3
445.20892	1.9
446.08569	1.8
447.09058	0.9
463.21695	0.3
467.13739	0.1
485.32376	0.2
492.22867	0.2
503.33755	0.2
529.30164	0.3
593.24274	0.9
594.24371	0.2
670.35577	0.2
739.29639	1.1
739.41260	0.2
740.30573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
58.00481	0.4
59.01264	4.8
61.12828	0.2
61.98704	0.6
71.01267	3.8
72.99178	0.4
73.02811	0.5
80.02555	1.1
81.03345	1.0
83.01276	0.8
83.04913	4.0
84.02058	0.6
85.02844	0.9
87.00764	0.7
89.02338	2.7
93.03363	0.3
95.01285	0.3
95.04915	0.7
99.00768	0.3
101.02348	3.5
107.01301	0.4
109.02851	0.2
109.06497	0.5
111.08064	0.7
113.02359	2.2
113.09643	0.4
113.21454	0.2
119.03429	0.6
121.02894	0.3
125.02363	0.4
125.05994	0.5
135.08083	0.3
143.03416	0.4
145.04976	0.3
151.00279	1.9
152.36755	0.2
161.04474	1.7
163.00279	0.5
163.11221	3.5
164.11610	0.2
165.12799	2.2
167.10715	0.4
171.10187	0.7
177.12743	0.3
178.99812	0.9
179.05598	0.6
179.14326	0.8
181.12308	0.9
191.10768	0.7
195.13869	7.5
196.14444	1.0
199.04063	0.3
199.13309	0.2
205.12297	0.6
205.15923	0.3
209.11813	100.0
210.12158	4.6
211.03877	0.2
211.13445	1.6
215.03322	0.3
223.13394	6.3
227.03413	0.6
227.12888	11.2
228.13423	1.0
231.21185	0.4
235.08177	2.4
243.03090	1.1
253.09325	17.4
254.09697	0.6
255.03008	2.0
256.13251	1.4
265.21802	0.5
270.01657	0.3
271.02521	4.5
272.02765	0.2
275.20206	7.4
276.20587	0.5
293.21283	92.2
294.21591	6.3
299.02026	6.0
300.02762	9.5
301.03525	5.9
302.03976	0.5
309.20694	0.4
359.09192	0.2
445.07742	0.3
445.20859	1.1
446.08554	2.0
447.09479	6.6
448.09799	0.8
485.32739	0.4
492.22067	0.4
503.34042	0.5
517.73517	0.2
529.30139	1.1
593.24072	2.4
594.24518	0.5
663.85883	0.2
670.35370	0.5
739.29913	1.6
739.41101	0.5
740.30292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.8
61.98716	100.0
62.98415	0.2
71.01285	0.2
75.00791	0.1
81.03345	0.1
82.03729	0.1
83.04915	0.4
84.05262	0.1
85.02857	0.1
87.00805	0.0
88.53876	0.0
89.02318	0.1
101.02351	0.1
113.02386	0.1
119.03417	0.1
119.04991	0.1
120.01227	0.1
122.03607	0.1
123.04433	0.1
125.02455	0.1
135.02965	0.1
135.04416	0.1
161.17567	0.0
163.75529	0.0
179.05486	0.1
191.01965	0.1
193.05121	0.1
203.91870	0.0
224.32553	0.0
225.16103	0.2
226.16451	0.2
227.16728	0.1
239.86568	0.0
333.04153	0.1
334.21802	0.1
373.80606	0.1
400.71729	0.0
452.33026	0.1
453.33368	0.1
454.33670	0.1
456.32498	0.1
470.72391	0.0
500.31024	0.1
501.32462	0.1
517.31842	0.1
518.32153	0.3
519.33270	0.3
593.77557	0.0
662.50244	0.1
677.50000	0.1
678.50446	0.4
679.50482	0.8
680.38202	0.2
680.50568	3.3
681.38074	0.1
681.50854	0.2
682.12231	0.1
740.49493	1.8
741.26764	0.2
741.49353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
61.98714	1.9
71.01271	2.3
71.27711	2.0
78.25789	0.9
83.04900	1.5
89.02332	1.3
90.77279	0.7
96.30132	0.8
96.95892	1.1
121.02844	1.4
125.02372	2.0
135.08038	1.0
137.02249	1.1
150.36836	0.7
153.01871	2.9
163.11227	1.3
165.12798	0.9
204.56319	0.8
209.11812	100.0
210.12224	5.4
227.12900	24.4
228.13150	1.2
235.08214	3.3
253.09280	5.2
299.04208	1.4
445.20956	10.0
450.08109	2.0
463.22241	1.7
515.45715	1.0
637.32349	3.3
673.34564	2.9
741.34967	31.1
742.35791	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	741.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96731	0.1
57.03310	0.2
59.01263	21.5
61.98717	0.5
69.65935	0.2
69.66247	1.0
71.01270	1.5
71.04922	0.6
72.99190	0.2
73.02855	0.3
75.00774	0.1
82.52953	0.1
85.02859	0.7
88.56380	0.1
89.02348	1.0
98.19822	0.2
98.80322	0.2
99.00832	0.2
101.02361	1.0
108.02074	0.3
113.02345	0.8
117.71050	0.1
119.03442	0.6
121.82630	0.2
123.04417	0.2
125.02387	0.2
135.02940	0.2
135.04485	0.2
143.03473	0.2
149.04526	0.2
152.01131	0.6
154.73184	0.2
161.04512	0.6
166.28206	0.1
167.03473	1.3
179.05515	0.3
182.65967	0.1
193.05122	0.2
221.12900	0.1
313.87494	0.1
375.27145	0.3
376.26883	0.2
377.28586	1.1
379.30490	0.2
389.28522	0.3
391.30045	0.2
392.90027	0.1
393.27917	0.2
395.06500	0.2
405.28046	0.2
407.24719	0.2
407.29636	2.8
408.29797	0.2
409.31339	0.3
411.28830	0.7
425.30576	0.3
443.45724	0.2
451.28745	0.3
453.30148	0.2
455.31989	0.1
459.31149	0.7
465.93942	0.1
471.31509	0.5
475.34348	4.1
476.34772	0.5
483.95871	0.1
487.30533	0.2
501.32349	7.5
502.32712	1.1
519.33350	100.0
520.33691	14.7
561.20642	0.2
561.34460	2.4
562.34814	0.5
605.92529	0.2
681.38672	5.5
682.38947	0.7
741.27948	0.2
741.40808	1.5
742.40387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06683	0.5
55.01735	0.7
57.03336	1.5
58.00478	2.9
59.01260	88.9
60.01614	0.9
61.98722	0.7
69.56642	0.5
71.01266	48.5
71.04908	1.8
72.01604	0.8
72.99191	3.9
73.02842	2.4
75.00791	0.6
83.01279	1.1
85.02840	8.9
87.00772	3.8
89.02331	67.5
90.02662	1.4
95.01278	3.7
98.20634	1.2
101.02338	23.6
103.14438	0.6
113.02352	21.7
119.03406	28.3
125.02341	1.1
131.03419	4.3
143.03429	9.2
147.38310	0.5
149.04474	2.4
161.04491	10.7
179.05560	47.3
180.05898	1.1
191.01920	0.7
219.14793	0.6
232.10809	0.5
238.32263	0.6
239.07671	1.1
294.02402	0.5
300.02667	0.6
319.24319	0.7
385.27502	1.4
429.30200	0.6
455.25232	0.5
455.31540	7.7
457.33200	0.7
463.09140	1.5
464.08701	0.5
468.66150	0.6
471.30954	0.6
501.32281	3.0
519.33331	100.0
520.33624	14.6
537.33423	1.0
561.34564	1.5
681.38727	3.5
682.39246	0.8
741.40881	2.3
742.40582	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64039	0.3
57.03318	0.3
58.00473	0.3
59.01264	10.8
61.74818	0.3
61.98699	1.0
63.45962	0.3
63.52987	0.3
69.03307	0.3
71.01265	2.7
71.04906	6.9
71.57796	0.5
72.99188	0.6
73.02823	0.8
75.00756	1.1
76.28134	0.3
83.01286	0.4
85.02830	1.4
87.00748	0.6
89.02323	1.9
90.96261	0.3
96.95910	1.1
101.02328	1.1
109.02865	0.3
113.02361	2.7
116.92769	0.3
119.03411	0.7
119.04950	0.3
119.08549	0.4
124.71704	0.3
125.02356	1.0
134.03690	0.5
135.02913	0.6
135.04454	0.7
136.01549	0.3
137.02344	0.6
143.03456	0.3
150.03136	0.6
151.00267	0.6
151.03935	0.4
161.04495	1.0
165.01927	0.4
175.20702	0.3
177.01842	0.5
179.03421	0.7
179.05559	0.7
181.05064	0.3
195.06752	0.3
220.24004	0.3
230.95274	0.3
289.07440	0.4
303.21085	0.6
305.22763	2.3
319.24374	5.8
320.24701	0.6
323.23959	1.8
337.25247	0.3
353.24915	0.6
371.25983	14.6
372.26321	1.9
385.27606	3.1
386.27704	0.4
391.26471	0.3
405.26498	11.1
406.26910	1.2
415.24847	1.1
435.29153	0.4
449.25543	1.3
457.33673	1.9
458.33786	0.4
459.31204	0.9
471.31421	0.4
473.32813	1.1
501.32327	5.3
502.32678	1.0
515.33832	0.7
519.33356	100.0
520.33716	14.2
528.30493	0.3
533.34998	0.9
537.34296	0.3
561.34479	12.7
562.34552	1.7
681.38654	1.0
741.40314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	0.2
59.01261	27.7
60.01593	0.3
61.88845	0.1
61.98728	0.3
66.25439	0.1
67.45150	0.1
71.01260	0.7
71.04907	0.6
71.36012	0.2
71.45581	0.1
85.02830	0.3
87.00735	0.1
89.02328	0.4
101.02333	0.8
113.02365	0.7
119.03394	0.1
135.02911	0.2
154.43279	0.1
154.44499	0.1
161.04530	0.3
167.03435	0.3
174.94949	0.1
194.77110	0.1
221.06633	0.2
254.12271	0.1
301.88678	0.2
357.25659	0.2
363.27081	0.3
373.29218	0.4
375.26797	0.3
377.24408	0.2
377.28540	0.4
379.30142	0.3
387.26953	0.3
389.28549	0.2
391.30313	0.8
393.28006	0.5
405.28030	0.8
406.28439	0.2
407.29825	1.4
408.29742	0.2
409.31293	1.9
410.31656	0.2
411.29129	0.4
419.25739	0.2
423.29114	0.3
427.31992	0.4
435.29178	0.3
441.30197	0.2
453.30136	0.8
454.30374	0.2
457.33344	0.5
459.31235	0.3
471.30966	0.3
473.32648	0.6
475.34128	0.4
501.32339	5.6
502.32819	0.9
519.33331	100.0
520.33673	15.8
561.34338	1.9
562.34631	0.3
616.50897	0.2
681.38684	2.4
682.38647	0.7
741.41022	2.0
742.41431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28981	0.1
57.03337	0.2
57.08361	0.1
59.01261	22.8
60.01582	0.2
61.98703	0.6
64.57465	0.1
66.73171	0.1
69.11984	0.1
69.25042	1.5
71.01269	2.1
71.04910	0.8
71.60265	0.1
72.99202	0.2
73.02835	0.3
73.85440	0.1
75.00753	0.2
78.62943	0.1
83.01276	0.2
85.02850	0.7
87.00789	0.2
89.02339	1.4
91.03222	0.1
91.39418	0.1
95.01331	0.2
96.95899	0.2
101.02341	1.5
108.02079	0.6
113.00897	0.1
113.02364	1.2
119.03411	0.7
119.04905	0.2
119.08564	0.1
123.04450	0.6
125.02355	0.2
131.03470	0.2
134.03677	0.2
135.02917	0.2
135.04494	0.3
137.02364	0.2
143.03413	0.3
152.01089	1.2
160.02650	0.1
161.04491	0.6
163.03897	0.2
167.03445	2.3
177.01886	0.2
178.99873	0.2
179.05548	0.4
187.11346	0.2
193.05051	0.3
205.12292	0.3
221.06546	0.3
289.07056	0.2
330.59424	0.2
375.26935	0.3
377.28418	0.9
379.30316	0.3
389.28528	0.5
391.30298	0.3
393.15646	0.2
393.28125	0.3
395.29492	0.3
403.28784	0.2
405.28027	0.3
407.29623	2.7
408.29852	0.4
409.31573	0.2
411.28824	0.7
425.30536	0.3
427.32233	0.2
428.33203	0.1
451.28589	0.4
453.30258	0.4
457.33337	0.3
459.31415	0.7
467.06903	0.2
471.30923	0.6
475.34354	5.8
476.34909	1.0
501.32312	7.4
502.32516	1.1
517.20776	0.2
517.32391	0.1
518.32123	0.2
519.33325	100.0
520.33679	14.8
561.19598	0.3
561.34320	2.9
562.19806	0.2
562.34869	0.4
591.35596	0.2
637.39685	0.3
681.38666	9.6
682.39044	1.8
741.26306	0.7
741.40747	2.0
742.27142	0.2
742.40839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.9
57.65983	0.9
58.00475	1.4
59.01268	24.7
60.13564	0.7
61.98716	4.5
69.03351	1.6
69.52912	7.0
69.80772	0.8
71.01270	20.6
72.99191	2.0
73.02831	2.9
78.95789	22.5
83.01275	2.0
83.04978	1.0
85.02846	4.9
87.00766	4.8
89.02335	17.5
95.01260	1.1
96.96861	1.2
97.02853	4.0
99.00792	1.5
101.02332	17.0
109.02856	1.1
113.02348	7.2
119.03385	5.2
125.02351	7.7
125.09624	1.7
127.14128	1.0
128.68156	0.9
130.97638	0.8
131.03506	1.0
143.03413	3.2
146.82016	0.9
152.99547	10.0
161.04501	4.3
171.10204	2.7
176.56528	0.9
179.05553	3.7
187.09654	1.4
197.11806	1.1
199.45247	0.8
209.11725	4.2
221.06715	1.4
227.12924	1.4
235.08232	8.3
241.01170	0.9
253.09286	1.8
255.23413	1.2
277.21783	4.2
279.23343	1.0
283.26483	62.5
284.26877	4.9
287.07703	2.9
293.21249	1.9
295.22812	3.0
305.08691	4.5
323.09763	2.0
347.58377	1.0
397.13589	100.0
398.13959	8.2
415.09097	1.4
415.14636	29.9
416.15009	1.9
429.20508	1.2
431.21979	1.7
445.20126	1.0
447.21603	2.1
463.20862	1.1
465.22650	1.0
640.95251	1.1
681.40759	5.7
682.41779	1.4
691.44513	2.6
741.43976	12.9
742.43280	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	743.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01263	27.3
60.01588	1.9
61.01680	0.6
61.98425	0.7
61.98717	8.2
63.02288	1.7
64.62861	0.5
65.00200	2.6
69.03398	0.5
71.01244	1.9
71.04912	0.7
71.57961	1.0
75.00767	1.5
83.01269	2.2
85.02847	1.1
89.02313	1.5
96.95926	0.6
101.02352	0.9
106.94746	0.5
107.01300	4.6
108.02109	0.5
109.02875	0.6
113.02356	1.1
119.04930	0.7
121.02896	0.7
123.04404	0.5
125.02354	2.2
133.02882	1.7
135.02956	2.5
135.04449	0.5
137.02338	1.4
147.04355	0.6
150.99139	1.0
151.00316	15.1
152.01015	0.6
153.01788	0.8
161.04503	0.7
162.61098	0.5
163.03973	0.8
169.01384	3.8
173.02472	0.6
177.01880	1.8
178.99820	11.6
179.03392	0.6
180.00087	0.8
185.06056	1.1
191.03409	0.6
192.00436	0.5
193.01390	3.1
195.04414	0.6
201.01907	0.7
205.01384	1.4
209.08171	2.0
211.03931	1.7
212.04622	0.9
213.05560	2.6
215.03470	1.0
216.46173	0.4
219.02960	3.1
222.34067	0.5
223.04082	0.8
227.03549	3.1
229.05063	2.4
239.03499	5.1
240.04396	0.8
241.05077	6.7
251.03548	0.7
267.02930	2.4
269.04706	0.8
291.06915	0.5
295.02515	0.6
317.04590	0.8
327.15988	0.7
329.04355	0.7
331.06201	0.7
341.48486	0.5
347.05551	1.0
348.06427	0.6
357.03976	1.2
365.06628	2.3
373.03436	0.9
375.05188	12.9
376.05554	1.3
378.29117	1.0
380.30685	0.5
385.03391	0.8
391.04742	0.6
393.06183	7.3
401.02863	3.1
402.03799	0.6
403.04633	9.6
404.05127	1.1
407.29391	1.1
408.30026	2.3
419.04263	5.2
420.04611	0.8
421.00034	0.7
421.05716	11.6
422.06116	1.5
429.02615	2.5
437.05365	1.7
447.03552	1.6
460.31604	0.7
461.05185	0.8
465.04703	34.7
466.05206	4.2
475.34415	0.9
476.34729	2.6
501.32303	2.2
502.32724	8.2
503.33133	1.7
507.05396	0.8
519.33362	32.1
520.33716	100.0
521.33997	29.0
522.34491	0.7
561.34460	0.9
562.34558	2.3
563.34833	1.0
579.07874	18.1
580.08661	2.7
593.09497	1.2
597.08923	6.0
598.09351	0.9
607.24103	2.0
611.10767	6.2
612.10602	1.0
649.86365	0.6
682.38763	2.7
683.39093	1.3
730.83844	0.5
742.41058	2.0
743.14410	3.3
743.25470	0.8
744.15338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56329	0.4
59.01260	0.8
60.99188	16.1
61.98733	0.9
68.91858	0.4
71.19639	0.4
71.57216	0.6
80.10435	0.4
80.96420	1.2
84.10593	0.4
87.00770	1.3
88.00304	2.4
88.98696	100.0
89.02332	8.5
89.02840	0.7
89.99030	1.3
96.95919	0.5
125.69859	0.4
136.68542	0.4
137.02400	0.4
171.10141	0.4
178.99770	0.5
213.13368	0.4
213.92601	0.4
218.49097	0.5
255.23428	0.7
263.60016	0.4
292.41052	0.4
357.23343	0.5
397.13620	0.5
521.67462	0.4
582.79828	0.5
602.05157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99049	0.2
54.91303	0.2
57.03329	0.8
59.01263	1.4
59.97311	0.3
61.98714	0.7
63.02282	5.5
65.00207	6.3
71.01270	1.1
71.57834	0.4
72.99197	0.4
73.02816	0.4
75.00754	2.8
83.01276	5.1
85.02827	0.4
89.02340	0.8
93.03328	0.5
93.21923	0.3
96.95905	0.5
101.02374	0.4
102.35564	0.3
107.01298	14.0
109.02841	0.8
117.03342	0.4
119.04928	0.6
121.02842	0.6
123.04439	0.3
124.01578	0.9
125.02362	3.0
133.02917	0.4
135.00804	0.7
135.02905	3.1
135.04451	0.9
136.01634	0.3
137.02365	2.0
145.02887	0.6
147.04454	0.7
149.02385	1.0
151.00308	42.0
152.00902	1.7
153.01851	1.3
155.04935	0.3
157.06500	0.7
159.04489	0.6
159.08255	0.3
161.02419	0.7
163.00342	1.2
163.03932	0.8
165.01889	1.0
165.05557	0.3
167.03529	0.4
167.04987	0.8
169.01376	7.2
169.06500	0.4
171.04460	0.8
173.02414	2.0
175.03946	0.3
176.01088	0.8
177.01819	1.5
178.99820	36.8
180.00151	1.6
183.04489	1.3
185.06070	2.1
187.04024	0.9
191.03429	1.5
192.00604	0.9
192.99765	0.6
193.01398	6.8
195.04503	1.2
196.05203	0.4
197.02489	0.6
197.06046	0.5
198.03119	1.4
199.04002	1.5
201.01935	2.4
201.05510	0.4
203.03522	0.4
205.01463	2.7
206.01898	0.4
207.02957	1.3
211.03993	5.0
212.04742	1.6
213.01959	1.0
213.05565	7.4
214.02618	0.5
215.03563	2.0
219.02982	7.0
220.03432	0.5
223.04062	2.8
224.04610	0.6
225.05553	0.7
226.02682	0.7
227.03467	4.9
228.03917	0.5
229.01567	0.5
229.05052	6.7
229.07253	0.4
230.05359	0.5
231.02953	0.3
233.00919	1.2
237.02036	0.4
237.05519	0.4
238.02708	0.5
239.01018	0.4
239.03523	14.1
240.04192	3.1
241.05067	16.3
242.05417	0.9
243.03046	0.4
249.05493	0.6
251.03525	2.5
251.07402	0.5
252.04164	0.4
253.01559	0.6
253.05115	0.6
255.03062	0.7
261.05618	0.5
264.04443	0.5
265.05130	0.9
266.02341	0.5
267.03015	10.5
268.03534	1.0
269.04608	1.1
273.05695	0.8
275.07199	0.8
277.05066	0.8
279.06445	0.4
281.04761	0.4
285.05811	0.6
289.04919	0.7
291.03134	0.3
291.06595	0.7
293.01202	0.3
293.04535	0.9
295.02600	1.1
300.02844	0.4
301.05444	1.4
302.05740	0.5
303.06680	1.2
305.04602	0.7
307.02872	0.4
313.04718	0.4
317.04614	0.9
318.05283	0.5
319.06079	1.6
321.04138	0.5
327.05243	0.3
329.04623	1.4
330.05423	0.8
331.06039	1.5
332.03223	0.4
333.04071	1.1
335.05600	0.5
345.03983	1.6
346.04843	1.1
347.05594	2.6
350.04446	0.4
351.05270	0.7
357.03983	3.4
358.04874	0.3
359.05551	0.5
361.03577	1.3
363.05154	0.8
365.06711	4.4
366.07144	0.5
372.02805	0.5
373.03568	1.9
374.04370	1.3
375.05148	28.3
376.05597	3.3
377.02896	0.5
379.04712	0.6
385.03705	1.5
390.03937	0.6
391.04559	2.2
392.05447	0.9
393.06259	19.1
394.06641	2.3
401.03094	8.4
402.03595	1.7
403.04654	18.2
404.05148	2.5
405.02713	0.5
419.04138	12.5
420.04471	2.4
421.05728	31.1
422.06119	3.9
429.02536	5.4
430.03067	0.5
437.05072	2.1
447.03635	6.6
447.08975	0.3
448.04135	0.8
461.05112	0.8
465.04712	100.0
466.05051	12.6
503.06512	0.4
507.05719	2.1
519.05597	0.5
523.05261	1.2
541.45087	0.4
547.05286	6.1
548.05328	0.7
565.06366	27.0
566.06567	3.6
583.07349	19.9
584.07776	2.3
607.24500	0.4
608.94226	0.4
609.08838	2.5
610.08728	0.6
627.10052	28.7
628.10400	4.4
683.11884	0.4
685.09967	0.5
727.11438	0.5
745.12695	15.8
746.13025	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	7.4
59.86807	0.6
61.98714	32.2
71.01266	5.2
75.00775	1.1
77.21052	0.6
79.01967	0.7
82.47479	0.7
85.02853	1.0
87.00768	0.7
89.02325	4.2
90.24187	0.6
93.03358	3.3
95.01269	0.9
95.04905	0.7
96.95891	1.5
98.19797	2.0
101.02369	3.1
105.03351	1.0
108.02077	1.3
109.02856	1.4
113.02345	1.7
119.03435	1.8
120.01173	7.0
121.02866	12.6
122.03665	14.8
123.00787	1.8
123.04407	1.2
124.01576	1.9
125.02332	2.3
132.02098	1.0
133.02907	3.3
134.03610	1.9
135.02917	2.5
135.04445	9.0
136.01581	20.4
137.02425	3.9
139.03902	1.0
143.04961	0.7
147.04457	1.1
149.02374	30.5
149.06010	1.2
150.03159	100.0
151.00293	5.9
151.03955	25.3
152.01064	1.0
152.04260	1.3
153.01894	0.6
154.02661	1.1
160.05229	1.8
161.02344	1.8
161.06012	1.1
162.03041	0.7
163.03929	3.0
164.04756	6.4
165.05515	98.2
166.02654	14.5
166.05840	4.7
167.03458	3.5
169.01326	1.0
172.05237	1.7
175.04007	4.0
175.07507	1.0
177.01901	1.6
177.05547	2.0
178.02670	0.6
178.99783	1.1
179.03415	1.0
179.05605	0.9
179.07024	0.9
180.04234	5.9
181.05017	20.3
189.05527	3.0
190.06285	7.1
191.03621	1.2
192.04207	0.8
193.05093	0.7
195.06596	62.1
196.07018	3.8
205.08705	0.9
221.08296	1.0
230.00708	0.7
266.05960	0.8
282.05362	1.8
283.06354	0.8
296.06992	0.8
309.07739	0.7
314.07782	1.0
315.08768	2.4
323.09479	0.8
325.10898	0.9
329.10336	2.8
339.08841	1.4
342.11078	2.1
354.11191	0.9
355.11700	1.2
356.12704	2.3
357.09674	4.0
357.13461	8.0
358.14047	1.1
369.13431	2.4
372.12244	4.3
373.12900	1.4
386.13541	1.9
387.14563	50.6
388.14905	6.7
490.16260	1.3
505.18658	4.1
520.17041	0.9
521.34149	1.4
522.34357	1.9
526.24683	0.8
535.19824	62.6
536.20148	10.1
553.20496	1.6
565.20477	2.7
583.21924	49.4
584.22174	9.0
585.96143	0.8
608.24292	0.8
609.24628	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10074	0.5
56.67910	0.5
57.03335	0.6
59.01262	4.1
60.18406	0.5
61.98716	3.3
71.01270	4.5
71.04961	0.5
71.05324	1.2
73.02854	0.9
74.90518	0.6
78.95850	0.6
79.95634	0.7
85.02863	1.8
89.02355	4.1
93.03349	2.8
95.04954	0.5
96.95915	2.0
101.02355	2.8
105.03385	0.7
108.02077	1.6
109.02866	1.5
113.02380	1.7
119.03458	1.0
119.04937	1.1
121.02847	4.4
122.03651	10.9
123.00815	0.6
123.04474	1.4
124.01602	0.6
125.02384	2.0
133.02887	2.5
135.02887	1.3
135.04466	1.6
136.01587	9.9
137.02391	3.3
138.03065	0.5
139.03879	0.5
149.02376	16.6
150.03162	83.9
151.00290	2.7
151.03954	13.7
152.01122	0.6
161.02371	2.1
161.04544	0.8
162.03145	2.0
163.03964	1.6
164.04730	3.5
165.05519	99.4
166.02664	8.2
166.05804	4.4
167.03419	1.1
175.03969	1.3
177.01965	1.2
177.05537	2.1
178.02641	1.5
179.03415	1.3
180.04245	6.6
181.05043	12.3
182.18938	0.5
189.05553	1.1
190.06332	1.1
193.05034	2.2
195.06595	100.0
196.06882	4.4
205.05064	0.7
208.86388	0.5
221.08185	1.1
282.05432	0.7
289.07162	0.6
306.58954	0.5
341.10388	0.8
342.11099	1.3
357.09747	2.0
357.13535	7.1
361.16672	1.4
372.12000	2.5
381.70374	0.6
387.14563	27.3
388.14783	2.4
400.34442	0.5
402.74860	0.6
413.21710	0.8
535.19775	5.1
536.20300	0.8
547.32623	0.8
553.20813	1.4
583.21863	26.1
583.29608	2.8
584.22253	5.4
599.07458	0.7
745.36218	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	747.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06028	0.3
59.01265	100.0
60.01606	0.7
71.05907	0.9
72.95203	0.4
78.95827	0.4
95.30460	0.3
101.02370	0.4
138.59056	0.4
156.86853	0.3
188.84045	0.4
208.44881	0.4
261.84930	0.4
440.15015	0.7
455.17346	3.1
456.17615	0.7
467.13605	0.8
468.11099	0.5
469.11661	0.6
473.18253	3.4
474.18619	0.7
483.12906	0.9
484.67529	0.4
490.59586	0.4
495.12927	0.4
496.14001	2.1
497.13858	0.6
499.16348	0.5
510.15994	0.7
511.12900	0.8
512.13367	8.4
513.13617	2.4
525.14075	0.7
526.15057	11.2
527.15521	3.9
528.15472	0.5
569.16577	2.2
570.17590	0.6
599.18073	1.3
600.18652	1.1
601.19714	2.8
602.19897	1.0
613.19562	1.6
614.20306	61.9
615.20544	16.4
618.16479	0.5
632.17731	1.1
646.19299	7.9
647.19824	1.9
655.19830	0.4
673.20923	0.6
687.23248	4.1
688.23395	1.5
747.25391	53.3
748.25598	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	747.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.3
61.98712	0.8
64.20906	0.3
67.29666	0.4
71.01269	4.9
72.99198	0.6
73.02846	0.6
76.01276	0.3
83.01273	0.9
83.88850	0.3
85.02850	1.5
87.00739	0.6
89.02343	4.7
93.03360	3.5
95.01299	0.6
96.95905	0.4
101.02341	2.8
101.65406	0.3
105.36649	0.3
108.02097	0.5
109.02848	1.2
113.02363	1.9
119.03407	1.8
121.02872	5.8
122.03657	13.2
123.04453	0.7
124.01572	0.5
125.02353	0.4
133.02890	1.8
134.03677	1.1
135.02896	0.7
135.04424	1.1
136.01593	1.4
137.02364	1.2
140.31602	0.3
143.03448	0.5
145.02895	0.5
146.03641	0.4
147.04408	0.7
149.02385	17.8
149.06032	1.1
150.03166	92.1
151.00304	0.4
151.03499	3.4
161.02435	0.6
162.03162	0.7
163.03963	1.6
164.04733	3.6
165.05524	100.0
166.05859	4.3
175.03957	3.9
176.04701	0.6
177.01913	0.4
177.05553	1.2
178.02753	0.3
178.95714	0.4
179.03510	0.9
179.05609	1.1
180.04234	9.5
181.04724	0.3
188.04749	0.6
189.05577	1.3
190.06340	5.0
191.07100	3.6
192.04175	0.4
193.05014	2.5
194.05769	1.9
195.06604	86.4
196.06909	4.3
203.07150	0.7
205.08678	3.9
207.06569	1.5
208.07361	3.2
223.09734	0.5
237.05594	0.4
252.08282	0.4
253.05035	0.4
268.07590	0.3
275.51511	0.3
283.09918	0.7
299.09161	0.5
310.08337	0.5
311.09369	1.0
326.11646	0.6
327.08847	0.9
329.10251	1.0
341.10413	1.0
342.11020	0.5
344.12680	1.9
345.13412	0.9
356.12653	0.6
357.13412	2.6
358.14001	0.7
359.15085	25.7
360.15390	1.7
371.15063	4.0
389.16080	1.8
507.20441	0.7
519.19952	0.7
521.20441	2.3
522.19214	0.5
533.20129	1.8
537.13690	0.5
537.21539	5.2
538.21375	0.7
551.21307	0.9
567.22595	0.6
568.22833	0.4
585.23523	32.5
586.23724	7.0
605.22577	0.4
681.25977	2.0
699.26776	12.1
700.26678	2.2
747.28827	6.7
748.28766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.1
58.00478	4.2
59.01263	100.0
60.01591	1.2
61.98715	2.2
71.01268	70.7
71.59097	1.4
72.99195	6.1
73.02831	2.3
75.00752	1.9
83.01285	3.0
85.02840	11.8
87.00764	4.9
89.02334	92.1
90.02651	1.0
93.03339	1.7
95.01277	5.4
97.02938	0.9
101.02345	45.3
107.01329	1.2
113.02351	32.6
119.03415	40.8
120.03685	1.3
121.02846	3.1
122.03670	5.8
124.09689	0.8
125.02368	2.6
131.03435	5.8
131.04875	0.8
133.02908	1.2
134.03677	1.1
135.02902	2.4
135.04413	1.9
136.01605	1.5
137.02342	1.8
139.54918	0.9
143.03444	8.6
149.02393	13.7
149.04411	5.2
150.03165	42.5
151.00302	1.6
151.03685	1.8
157.86934	0.9
158.50714	0.9
160.01579	1.7
161.02354	1.1
161.04480	7.2
162.03189	0.9
163.03963	1.1
164.04733	3.0
165.01877	1.4
165.05522	40.9
166.05797	1.7
172.48961	0.9
178.99850	1.8
179.03348	0.8
179.03767	0.9
179.05569	18.7
180.04202	3.5
193.05084	1.1
194.05659	0.9
195.06598	30.1
196.06937	1.4
239.07286	0.9
270.08978	1.9
285.11337	2.2
298.08545	2.5
310.08487	1.0
311.09146	1.1
313.10809	2.7
324.09921	1.6
325.10876	1.9
326.08023	2.1
326.11725	1.7
340.13168	1.4
341.10379	16.7
342.10706	2.0
356.12726	9.8
357.13028	1.7
361.18906	1.1
371.10440	1.8
371.15076	33.5
372.15451	2.8
483.04956	0.9
507.19055	1.3
519.20270	14.9
520.20569	2.3
585.23212	1.9
747.15399	1.2
747.29041	7.9
748.29095	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35566	0.3
59.01260	1.7
61.98706	1.4
65.00199	0.6
70.60205	1.3
71.01262	1.5
75.00757	0.8
83.01270	0.4
85.02844	0.6
89.02350	0.9
93.03358	4.5
96.95935	0.8
97.02847	0.5
101.02331	0.5
107.01335	0.4
108.02104	0.7
109.02860	3.8
113.02329	0.5
117.24433	0.4
119.04973	0.7
119.69675	0.4
119.88206	0.4
121.02871	11.9
122.03659	14.1
123.00796	0.5
123.04435	1.4
124.01579	0.8
125.02373	1.7
132.02094	1.1
133.02888	3.7
134.03723	2.0
135.02924	1.3
135.04462	5.6
136.01634	1.7
137.02390	2.7
139.03940	0.9
144.36638	0.4
145.02888	1.8
146.03651	0.6
147.04445	4.1
148.05077	0.5
149.02382	34.6
149.06032	3.8
150.03163	100.0
151.00305	3.6
151.03603	3.1
152.00946	0.7
153.01878	1.0
153.05507	0.5
154.02623	0.6
159.04401	0.6
160.05247	0.5
161.02390	1.3
161.06059	1.1
162.03171	1.3
163.03961	6.8
164.04741	7.6
164.06091	0.3
165.01849	1.8
165.05518	99.3
166.02631	0.8
166.05849	4.4
173.02386	0.6
173.06094	0.8
174.03152	1.5
175.03963	8.4
175.07594	0.5
176.04668	1.2
177.05536	2.7
178.05847	0.4
178.99820	1.5
179.03433	1.4
179.07083	1.9
180.04236	13.0
181.04849	1.8
182.43283	0.4
188.04787	1.7
189.05516	4.2
190.06319	12.0
191.03563	0.7
191.07100	8.1
192.04239	0.7
192.07437	0.5
193.01312	0.7
193.05035	6.7
194.05791	6.6
195.06601	52.9
196.06911	2.8
203.07114	1.6
205.08682	10.7
206.09001	0.5
207.06595	6.3
208.07375	6.4
209.08118	1.0
222.08946	1.0
223.09811	1.0
227.03554	0.4
235.70770	0.4
240.04239	0.4
241.04979	1.0
243.72485	0.4
267.03159	0.4
297.11191	0.8
298.12039	0.9
301.10373	0.4
308.06781	0.4
309.11557	0.4
312.09906	0.5
326.11652	0.5
327.12399	1.1
329.10486	0.8
339.12598	0.7
341.10403	1.1
344.12659	3.2
345.13382	4.3
353.14313	0.6
356.12598	1.0
357.13528	4.9
358.14279	2.4
359.15070	52.8
360.15338	5.1
371.15155	0.9
373.16660	0.5
374.13779	1.1
375.05011	1.5
375.14084	1.0
377.06046	0.7
387.14691	0.6
388.15222	1.8
389.11630	0.8
389.16086	6.5
390.16724	0.6
393.06284	1.0
403.04630	1.2
421.05710	1.7
422.06033	0.8
439.28738	1.2
465.04837	1.2
466.05087	1.4
467.05157	2.6
479.17276	0.7
483.05713	0.7
492.17828	0.6
493.18216	0.5
507.20349	5.1
522.19012	1.4
537.21399	59.9
538.21686	9.7
555.22821	1.3
567.12012	0.8
567.22345	1.2
585.23529	70.5
586.23883	12.9
601.11505	1.6
629.10736	1.4
747.14276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.6
57.03336	2.2
58.00482	4.6
59.01266	100.0
61.98712	2.2
66.92343	0.8
69.13826	0.7
70.59660	2.4
71.01270	72.7
72.99203	7.7
73.02841	1.5
73.45718	0.6
80.27391	0.7
81.71787	0.7
83.01302	3.2
85.02847	12.8
87.00765	4.7
89.02340	87.6
90.02707	1.0
93.03364	2.5
95.01279	5.3
96.95910	0.9
101.02348	44.4
108.11571	0.7
113.02361	32.8
113.96565	0.8
119.03419	42.4
121.02862	3.5
122.03667	8.0
125.02398	2.6
131.03406	5.5
133.02942	0.7
135.02922	1.4
137.02444	0.9
139.00284	0.8
143.03445	9.1
149.02391	16.9
149.04408	4.9
150.03171	45.7
151.00357	1.3
151.03586	1.7
153.01953	0.8
160.01590	1.1
161.04494	6.5
162.08708	0.7
164.04768	2.0
165.05527	38.9
166.02655	0.7
166.05948	1.0
174.03185	0.7
178.99812	2.3
179.03828	1.0
179.05582	18.7
179.07170	1.5
180.04257	2.7
181.08408	0.7
195.06602	29.1
196.06909	1.1
257.12064	0.8
267.07285	0.8
270.09006	2.4
283.09680	0.8
285.11456	3.0
298.08658	2.6
310.08640	1.8
311.09259	1.4
313.11023	2.3
323.09460	1.1
324.10037	0.9
325.10904	1.7
326.08090	2.0
326.11609	0.9
341.10342	16.9
341.14166	0.9
342.10733	1.9
356.12704	9.7
357.13251	1.8
359.14743	0.9
371.15088	31.5
372.15588	2.6
421.02161	1.0
507.19138	1.9
519.20392	16.6
520.20636	2.4
585.24219	1.7
747.29041	11.0
748.29004	1.6
758.06714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06779	0.6
57.03333	0.9
59.01263	20.2
61.98726	3.6
62.82650	0.6
68.99696	0.7
69.03321	0.8
69.39876	2.3
69.40300	3.1
71.01268	15.1
72.99206	1.2
73.02444	1.0
73.02835	13.1
75.00740	0.7
80.03276	0.7
83.01279	4.7
85.02839	2.7
95.04933	0.8
96.95918	5.8
97.02851	1.6
101.02343	17.5
109.02902	0.8
113.02341	2.9
125.02348	6.1
131.03459	0.9
135.02867	1.1
135.04385	0.8
137.02344	1.4
143.03395	1.0
151.00250	1.9
151.03841	0.8
155.03397	1.9
160.28804	0.6
161.04465	1.4
167.03525	0.7
179.03429	1.2
185.00888	0.7
203.05603	2.6
209.11955	0.7
259.02420	0.8
271.02463	1.4
287.02063	1.4
315.01611	3.3
325.21741	0.9
331.34326	0.8
383.22345	1.6
392.22903	0.7
405.28183	2.0
407.29926	0.8
433.27661	3.9
435.29398	0.7
451.28616	54.6
452.28918	9.2
462.08008	4.3
465.30182	10.9
466.30606	1.8
469.29507	6.4
470.30103	0.9
481.29755	10.1
482.29999	1.5
483.31174	2.7
493.29626	6.5
494.29477	0.8
499.30768	100.0
500.31067	13.4
511.30807	18.4
512.30634	3.4
513.32562	2.7
541.31622	3.0
543.30188	2.5
613.33826	1.3
673.35803	2.1
747.34399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01262	17.7
61.98717	5.3
64.21289	0.5
69.03316	1.0
70.94594	1.6
71.00900	0.9
71.01268	14.0
72.99192	1.0
73.02444	1.0
73.02831	13.8
81.03337	0.8
81.14381	0.5
82.32104	0.6
83.01270	4.1
85.02814	1.5
88.98690	0.8
95.01246	0.5
96.95905	4.5
97.02876	1.4
97.06503	0.7
97.50917	0.6
98.95479	0.6
99.00773	0.7
100.33446	0.5
101.02344	17.8
113.02363	2.8
116.92840	0.7
119.04942	0.6
123.04447	0.7
125.02358	4.8
127.03928	0.8
131.03406	1.2
135.02928	0.6
137.02362	1.3
143.03400	1.5
148.79709	0.6
155.03426	1.5
161.02394	0.9
161.04475	1.5
165.05444	0.6
177.01912	1.3
178.99706	0.6
179.03412	0.9
203.03853	0.6
203.05559	3.2
209.11816	0.5
271.02499	0.7
286.31888	0.5
287.01968	1.1
289.07227	0.8
315.01611	1.9
316.02249	1.2
375.26901	0.6
383.22290	1.2
393.28073	0.7
405.28076	1.9
407.29727	0.7
421.27530	0.6
433.27673	2.9
451.28616	57.9
452.28949	7.7
461.07101	0.9
462.08157	1.5
465.30167	11.2
466.30405	1.8
469.29462	5.9
470.29953	0.7
481.29706	10.3
482.30164	1.6
483.31158	2.3
488.54306	0.6
493.29843	7.8
494.30338	1.1
499.30753	100.0
500.31091	16.2
511.30728	18.5
511.36569	0.5
512.31195	2.6
513.32098	2.6
541.31750	2.4
543.29163	2.7
544.30511	1.0
613.33868	1.5
673.36035	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	749.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.0
57.03311	0.8
59.01265	23.3
61.98717	7.3
69.03333	0.9
71.01270	18.6
72.99187	2.1
73.02834	2.5
74.12898	0.7
75.00768	2.3
78.95800	1.1
81.03346	1.2
83.01286	2.5
85.02859	3.9
87.00744	4.1
89.02337	13.5
95.01286	1.0
96.95919	5.3
97.02838	3.1
99.00787	1.3
101.02349	12.3
109.02884	1.2
113.02365	5.4
115.03842	0.8
119.03413	2.9
119.04938	1.3
121.02871	1.1
125.02345	7.4
125.05901	0.9
135.02858	2.4
135.09216	0.7
139.71278	0.8
143.03398	2.1
146.86052	0.8
158.84349	0.7
161.04460	2.7
163.11238	1.2
165.11563	1.3
165.12808	17.9
166.12990	1.0
171.10231	1.7
179.03682	0.8
179.05559	3.2
179.75998	1.0
197.11732	1.7
207.10364	1.0
209.11842	4.1
221.06696	1.2
225.11313	1.0
227.12798	1.0
235.08231	5.7
247.20680	8.1
253.09399	1.3
273.18689	5.3
287.07745	1.2
291.19727	100.0
292.20096	9.2
305.08594	2.1
318.86310	0.8
323.09793	1.0
397.13596	57.6
398.13818	4.9
415.14636	30.9
416.15060	2.0
545.31323	9.6
546.31323	1.1
629.19904	1.1
689.33966	2.2
749.28192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03315	0.6
58.00465	0.5
59.01265	17.5
60.95809	0.3
61.98713	1.5
69.03324	1.1
69.41975	2.0
69.42381	0.6
71.01270	16.2
72.99185	1.2
73.02840	2.1
75.00751	0.8
80.64663	0.3
81.03326	0.8
83.01278	2.2
85.02837	3.8
87.00758	3.2
89.02334	12.7
92.36588	0.3
93.03362	0.3
95.01254	1.2
96.95908	1.8
97.02847	2.3
99.00758	0.7
101.02350	12.1
102.02676	0.3
103.03886	0.4
103.54224	0.3
109.02843	0.7
111.04404	0.5
113.02356	6.4
115.03896	0.3
119.03424	3.7
125.02357	4.7
131.03447	0.5
133.04958	0.5
139.03893	0.6
141.01929	0.4
143.03421	2.2
148.08875	0.6
149.04457	0.5
150.10364	0.6
151.11256	0.3
161.04486	2.3
163.11192	0.9
165.12794	18.3
166.13214	0.8
167.03400	0.5
169.05016	0.5
177.12720	0.4
179.05548	2.9
191.14384	0.5
207.82796	0.3
209.11777	1.2
214.53197	0.3
217.15897	0.6
221.06631	1.2
235.08275	5.8
247.20691	7.9
248.20943	0.9
253.09206	1.3
273.18671	5.4
274.19028	0.6
287.07874	1.3
291.19714	100.0
292.16861	0.7
292.20062	9.0
305.08755	1.8
323.09955	0.8
333.20535	0.3
336.62265	0.3
361.11267	0.3
397.13580	52.8
398.13992	4.6
415.14645	29.5
416.14972	1.9
485.33557	0.3
532.49652	0.3
653.32471	0.3
689.33832	2.1
690.34564	0.6
694.17975	0.4
749.27686	0.5
754.62036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.2
55.18577	0.9
57.03329	1.2
58.00472	2.3
59.01263	78.3
60.01570	1.6
60.81009	1.3
69.03336	4.5
70.32745	3.5
71.01269	34.5
72.99194	2.5
73.02834	56.4
75.00749	3.0
83.01273	12.9
83.04904	5.3
85.02834	5.3
87.00742	1.5
95.58757	1.1
96.95906	3.3
97.02823	2.2
97.44128	1.0
98.20483	1.3
99.00790	1.5
101.02341	49.7
113.02344	12.5
120.01176	1.5
125.02349	5.5
131.03426	3.9
143.03392	3.3
155.03421	3.5
161.04457	5.9
203.05605	10.9
259.03040	1.1
375.26855	3.5
387.26932	1.8
393.27921	2.0
405.28214	2.6
417.27917	3.4
423.29248	1.2
431.29413	1.7
435.29129	5.9
451.28580	1.4
483.31210	26.3
484.31473	5.5
485.29007	1.6
497.32553	5.7
501.32343	100.0
502.32645	17.1
515.33899	13.9
516.34155	1.7
527.30640	1.2
543.33411	24.4
544.33502	5.3
545.31335	42.2
546.31604	6.3
573.34326	4.4
574.33929	1.5
645.35022	2.0
731.47241	1.3
755.10065	1.4
781.20435	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.0
61.98483	0.2
61.98715	2.2
69.34025	1.9
71.01279	1.0
71.04906	0.9
72.99184	0.3
73.02818	0.9
75.00756	0.7
83.01262	0.4
83.04947	0.2
85.02843	0.4
87.17492	0.2
96.95900	0.8
97.02853	0.2
98.20671	0.2
101.02345	0.8
107.04928	0.5
113.02353	0.3
123.04401	0.2
125.02364	0.5
135.02953	0.2
151.03900	0.2
155.03470	0.2
165.05537	0.2
171.10222	0.3
175.77734	0.2
195.11531	0.2
209.11780	0.4
349.25644	0.2
359.23904	0.2
361.25537	0.6
365.28537	0.4
367.22830	0.2
375.26892	0.8
376.27338	0.2
377.28555	1.4
381.24487	0.4
393.27988	0.4
403.26559	0.4
405.24121	0.3
407.29596	0.5
409.27499	0.5
419.25949	0.7
421.27679	2.7
422.28027	0.4
423.25647	0.3
433.27573	0.7
435.29230	1.9
437.27078	0.5
439.28482	0.2
451.28485	0.5
453.30014	0.5
463.24942	0.3
465.26514	1.8
466.26904	0.3
469.30344	0.2
479.28094	5.7
480.28616	0.9
483.28345	0.2
485.28940	0.7
485.33588	0.6
501.32159	0.7
527.30225	8.1
528.30737	1.7
539.30420	0.3
545.31305	100.0
546.31641	14.5
609.30261	0.2
662.04822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	2.0
59.01262	31.0
61.98716	13.6
63.30723	1.1
69.38528	5.1
69.38953	6.9
71.01270	24.6
72.99199	2.5
73.02837	21.8
73.36769	1.2
75.00751	5.2
79.39908	1.3
83.01279	7.1
85.02829	3.9
88.98716	1.9
89.02309	2.4
90.94733	1.6
96.95908	16.8
97.02830	2.1
98.95455	2.1
101.02336	22.9
113.02335	4.5
121.02755	1.5
125.02359	5.3
131.03406	1.7
135.02888	3.4
137.02344	3.4
143.03410	3.6
151.00316	1.7
155.03386	3.1
161.04494	3.7
171.10272	1.5
178.99712	1.4
183.13826	1.9
203.05589	4.6
209.11832	6.1
227.12859	2.8
289.07062	1.9
300.77325	1.4
302.80673	1.4
341.50354	1.6
377.28552	1.7
407.29672	1.8
423.29025	1.7
437.30865	2.5
453.30194	70.2
454.30450	10.5
467.31769	17.0
468.32294	1.7
471.31259	8.2
483.31128	10.7
485.33127	8.0
486.33917	1.5
495.31271	8.3
501.32330	100.0
502.32718	18.0
513.32300	25.6
514.32397	3.9
515.33838	3.7
519.33826	1.8
527.33936	2.0
543.33215	3.9
545.35809	8.5
675.37500	3.7
749.29993	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	749.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.2
57.03342	1.7
58.00479	1.8
59.01261	100.0
60.01632	1.1
60.99191	1.3
61.98720	7.0
67.02841	1.0
69.03335	3.1
71.01266	37.7
71.04906	21.9
72.99187	2.4
73.02834	46.7
75.00759	6.0
77.98443	1.0
78.95775	1.4
81.03339	1.2
83.01274	14.3
83.04917	1.4
85.02832	4.2
85.99961	1.0
87.00758	2.6
87.04416	1.3
88.98682	4.8
89.02328	3.0
95.01288	1.3
96.95896	5.2
97.02846	2.5
97.06480	1.5
99.00764	2.1
99.04433	1.2
101.02341	65.1
102.02689	1.5
107.01202	1.2
107.32310	1.0
108.02074	1.0
113.02348	11.0
115.00317	1.8
116.01054	1.0
119.08540	1.4
120.99587	1.4
125.02362	8.6
126.11880	0.9
131.03409	8.9
135.02884	2.3
135.04434	2.8
137.02373	2.7
137.63617	0.8
143.03423	3.0
145.85321	0.9
151.00252	1.6
151.03851	1.5
155.03448	1.8
161.02371	1.2
161.04497	5.8
162.25598	1.0
165.01971	1.4
165.05515	0.9
167.03450	1.2
169.01353	2.0
171.10204	2.1
185.00848	0.9
193.04976	2.2
201.11464	1.0
203.05565	3.7
209.11830	2.8
220.74496	1.0
255.17604	1.0
289.07187	1.7
289.19608	1.6
301.03275	1.2
305.22809	3.5
315.21234	1.0
323.24091	1.3
331.24347	5.4
349.25491	4.7
371.14496	1.1
391.30203	8.7
392.30664	1.6
397.27573	7.7
405.28049	4.6
406.28482	1.8
407.25217	1.3
409.27487	3.0
423.29071	7.4
425.30536	3.4
439.32175	1.5
441.30292	6.8
453.30313	1.9
455.31693	5.4
457.33252	17.4
458.33478	2.8
471.31436	5.1
472.31476	1.5
473.33063	1.3
481.33279	10.9
482.33826	1.5
483.31345	6.9
485.29025	1.1
489.32275	60.2
490.32727	11.7
499.34637	1.6
501.31924	3.7
515.33807	9.3
516.34283	1.2
525.32159	5.7
543.33362	20.7
544.33441	4.9
545.31744	1.4
573.34729	1.9
585.34009	1.2
641.53693	1.3
645.35278	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	749.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33455	1.3
61.98613	1.2
63.96134	1.2
71.01264	6.0
73.02821	1.8
78.98471	4.3
79.95627	9.6
80.79320	1.2
80.96404	57.7
85.02816	1.6
87.00752	2.6
88.70042	1.1
89.83452	1.3
94.14356	1.5
94.97991	14.4
97.02858	1.3
98.20609	1.8
105.43693	1.4
106.98023	2.1
122.97453	2.6
125.02324	3.2
125.80912	1.3
134.97490	4.3
144.41821	1.3
148.99062	4.8
152.98524	4.9
164.98555	9.7
179.13832	1.3
196.93410	1.2
206.99634	3.1
212.23427	1.5
225.00752	15.9
302.25012	1.5
493.17969	2.0
647.47571	1.3
695.08990	1.4
749.41626	100.0
750.41815	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	751.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.3
57.96856	0.9
62.18655	0.9
63.02281	8.6
65.00210	9.3
68.51031	1.2
81.03352	1.0
83.01280	11.4
90.98472	1.0
95.01269	2.3
97.02855	2.4
101.94544	1.0
107.00624	1.8
107.01302	22.9
109.02889	1.9
123.00794	2.1
124.01604	5.2
125.02365	9.7
127.63029	1.1
135.00752	1.2
137.02359	9.7
139.03925	2.5
151.00313	74.3
152.01138	12.7
153.01901	1.8
161.02313	2.0
163.00351	5.2
163.03900	1.1
164.01071	3.7
165.01848	3.5
167.03484	5.7
169.01402	13.2
170.01686	1.7
171.04449	1.5
175.03905	1.5
178.99820	100.0
179.03307	2.9
180.00125	3.7
183.04388	2.3
185.06050	1.4
187.03972	1.3
190.99796	3.6
191.03510	1.1
192.00653	1.8
193.01349	6.4
199.03958	3.7
203.03476	3.9
204.45717	1.0
211.03955	6.6
213.05531	1.7
214.02620	1.8
215.03520	1.9
219.02875	1.2
226.02724	1.9
227.03519	7.1
228.04196	3.6
229.05000	3.7
229.22438	1.1
231.02878	1.5
239.03499	4.3
240.04233	3.4
241.05084	6.2
242.02176	3.8
243.03012	18.2
244.03671	4.1
251.03551	2.8
253.05081	1.4
255.02959	3.7
256.03836	9.0
257.04550	21.8
258.05206	3.3
259.02499	3.2
266.02036	1.2
267.02985	4.4
268.03635	2.8
269.04617	7.1
270.01755	1.8
271.02505	7.9
272.03323	5.4
273.03989	2.1
277.04929	1.6
279.02982	2.4
280.03818	1.6
281.04553	3.3
283.02524	3.0
284.03119	3.1
285.04102	11.9
286.04648	1.2
287.01990	3.3
287.05487	2.4
293.00958	4.4
293.04486	2.7
294.01663	1.5
295.02536	8.7
295.05984	2.1
296.03149	1.7
297.04047	3.5
297.07379	1.2
303.06976	1.3
305.04449	1.7
307.06091	2.2
309.03912	5.4
311.02072	3.9
311.05392	1.3
312.02609	1.2
313.03537	3.8
315.01495	9.6
316.02158	8.7
317.03125	4.3
321.04001	2.4
323.02121	5.8
323.05484	1.9
325.03494	1.5
331.06332	1.7
333.04050	6.1
334.04800	2.4
335.01929	1.2
335.05695	3.4
341.03003	1.6
347.05313	1.9
348.02307	1.1
348.06223	1.5
349.03506	1.4
349.07251	2.4
350.04114	1.5
359.05869	2.6
362.04108	1.8
363.04959	2.2
374.04282	1.1
375.05148	3.2
390.03824	1.4
393.06323	1.5
403.04492	6.7
406.03412	1.7
417.06116	1.1
418.02963	1.4
419.04013	4.6
420.04773	2.3
421.05591	4.6
425.04980	1.9
431.04022	2.1
437.05331	2.3
443.04437	2.0
448.04123	1.6
459.09180	1.4
461.05234	3.0
465.04810	3.2
467.06296	9.4
477.08606	1.3
487.08844	1.8
521.07251	2.1
561.10968	4.9
571.10913	1.9
583.10797	4.2
587.08545	3.3
588.08936	1.4
595.10748	1.3
605.09442	18.0
606.09637	3.1
613.12085	35.9
614.12317	7.2
623.14172	2.1
625.12146	1.6
667.12982	5.3
707.16443	4.2
733.14105	4.2
751.15326	73.9
752.15533	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	751.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
63.02277	6.9
65.00194	6.2
71.34539	2.9
73.96653	1.4
83.01277	8.0
106.10004	1.3
107.01289	15.9
109.02871	1.9
112.82713	1.3
123.00759	2.1
123.04398	1.5
124.01540	4.2
125.02363	9.3
135.02954	2.0
137.02393	8.0
139.03915	1.8
151.00302	60.9
152.01102	12.3
153.01770	1.7
161.02240	1.3
163.00288	4.3
163.03944	1.9
164.01088	3.2
165.01825	5.8
165.05414	1.7
167.03436	3.9
169.01378	12.4
175.03978	1.5
177.01814	1.8
178.99812	99.1
180.00110	4.0
181.01234	1.4
187.03983	1.7
190.99792	2.9
193.01361	5.0
199.03978	2.2
203.03421	5.5
211.03958	3.8
213.05484	2.9
215.03610	1.7
219.65619	1.4
225.05525	1.9
227.03481	6.6
229.05086	2.2
239.03511	4.7
241.05103	4.8
242.02176	2.7
243.02977	15.0
244.03598	4.3
245.04507	2.6
255.02934	4.9
256.03870	6.8
257.04553	15.9
259.02429	3.7
265.01483	2.1
267.02966	4.0
268.03802	2.1
269.04556	4.1
271.02405	9.4
272.03210	4.6
273.03983	3.2
279.03192	2.2
279.06488	1.9
283.02420	3.8
284.03122	2.3
285.03992	12.0
287.02017	5.2
287.05276	2.5
293.01172	2.9
293.04425	3.2
294.01743	3.3
295.02505	9.6
296.02997	2.2
297.03989	3.1
307.05887	2.1
309.04053	5.8
310.04633	1.6
311.02078	3.3
313.03561	4.3
315.01498	10.6
316.02225	8.7
317.03519	2.4
323.01868	3.2
331.06171	2.1
333.04074	6.2
334.04767	2.0
335.01886	2.3
335.05563	4.7
345.03995	2.8
351.05124	2.0
361.03531	1.8
362.04205	1.9
363.04803	1.6
375.04910	3.8
379.04272	1.7
403.04697	3.5
406.03226	2.0
417.06183	2.0
419.03928	6.2
420.04657	3.0
421.05746	7.0
431.03735	3.2
437.05316	2.5
443.04111	3.5
461.05255	5.9
465.04413	3.7
467.06137	6.8
477.07971	1.9
521.07281	4.6
561.10394	6.1
562.10675	2.1
569.07617	1.9
571.11206	3.3
583.10596	4.4
587.08459	4.6
605.09515	24.9
606.09991	3.0
607.10931	1.7
613.12024	44.1
614.12799	6.7
623.13684	2.0
625.11768	2.1
667.13214	6.3
707.16382	5.8
708.16467	2.4
733.14667	6.5
734.14392	1.8
751.15253	100.0
752.15808	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50423	0.4
59.00981	0.3
59.01260	9.5
59.01541	0.7
64.24467	0.4
65.73164	0.4
66.65858	0.4
68.01339	0.4
71.56982	0.5
71.57383	0.5
72.53858	0.4
79.61237	0.4
79.61731	0.5
83.04910	0.6
107.01279	1.1
109.02866	0.8
113.58803	0.5
121.02907	0.7
132.46596	0.5
135.16763	0.5
137.09637	7.8
151.00298	3.6
153.09166	0.6
155.10718	86.8
156.11079	2.6
163.00346	0.6
171.10225	19.1
172.10576	0.5
178.99808	1.3
181.08691	2.0
199.09732	27.2
200.10121	1.0
217.10812	83.9
218.11172	3.9
227.03578	0.5
243.03038	1.6
255.03055	4.2
259.11917	100.0
260.12228	5.8
271.02521	10.4
272.03036	1.0
300.02823	16.6
301.03546	11.6
302.03799	1.3
303.10907	0.9
333.60028	0.5
354.98355	0.4
447.09457	13.8
448.09753	2.3
449.09570	0.7
593.80951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	1.1
60.99187	0.2
61.98708	0.2
71.01253	1.2
72.12690	0.2
72.99192	3.4
73.99531	0.2
75.00760	100.0
76.01105	0.8
80.08242	0.2
85.02843	0.3
87.00760	0.4
89.02329	0.9
101.02335	1.0
113.02349	0.5
114.52665	0.2
119.03473	0.2
125.02382	0.5
211.90735	0.2
225.11322	0.2
230.50294	0.2
235.08238	0.5
267.10864	0.2
277.04816	0.2
277.21765	3.1
278.22171	0.2
305.08981	0.2
397.13562	6.3
398.13943	0.6
415.14667	1.6
416.15091	0.2
426.68091	0.2
675.36340	0.4
687.01196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
55.82275	0.4
58.00492	0.9
59.01266	37.6
63.55399	0.4
68.99676	0.4
69.03341	1.4
69.25082	2.4
69.25514	1.5
71.01271	17.0
71.04907	1.3
72.99197	0.9
73.02835	25.0
74.03187	0.4
75.00747	1.9
83.01274	6.7
85.02837	1.6
97.02845	0.7
99.00778	1.0
99.04408	0.9
101.02348	22.9
101.70795	0.3
113.02361	4.7
124.18074	0.3
125.02393	2.5
131.03455	2.2
134.54442	0.4
143.03444	1.9
153.01904	0.4
155.03429	2.2
159.94257	0.4
161.04541	2.3
161.05658	0.4
179.07552	0.4
203.05576	4.9
357.25711	0.4
373.25522	0.5
389.28662	2.4
391.30359	2.1
392.30283	0.5
393.31921	0.5
407.29584	5.6
408.30179	0.8
409.31326	1.4
419.29697	2.0
425.30829	0.9
433.30994	1.4
437.30673	1.1
441.33966	0.7
457.33395	3.5
458.33936	0.5
459.34506	0.6
485.32877	2.9
486.33240	0.7
499.34412	1.3
503.33899	100.0
504.34274	18.1
517.35516	4.6
518.35559	0.7
545.34979	24.3
546.35364	5.6
575.36182	1.3
587.35834	0.9
589.33850	1.6
590.34900	0.7
605.36816	0.7
671.51300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
57.03336	1.1
58.00487	0.3
59.00959	0.3
59.01260	6.5
61.98707	0.2
69.03342	2.8
71.01264	4.5
71.04908	0.9
72.99209	0.3
73.02824	0.9
80.02586	0.2
81.03352	0.2
83.01290	0.6
83.04907	0.9
83.19156	0.2
85.02853	1.3
85.06475	0.4
87.00784	0.9
89.02335	3.0
93.03368	0.4
95.01294	0.5
95.04929	0.5
97.02857	0.6
97.06477	0.2
98.20578	0.3
99.00776	0.3
101.02351	4.1
103.03889	0.2
109.06489	0.7
111.08064	7.4
112.08344	0.2
113.02344	2.3
119.03415	0.8
119.05656	0.2
123.08067	0.2
125.02348	0.3
125.09667	0.3
127.07569	0.4
135.11703	0.4
137.02399	0.2
137.09613	0.2
138.83264	0.2
141.09152	0.5
143.03406	0.3
145.05034	0.4
149.09662	0.7
151.11218	0.5
153.09111	0.5
153.12778	0.8
161.04517	1.9
161.13237	0.4
165.12805	0.4
167.10724	3.4
169.12286	2.9
170.12703	0.3
171.10226	0.4
177.12813	0.7
179.05583	0.9
179.10785	1.5
179.14388	3.3
181.12279	0.8
183.13869	0.4
192.23262	0.2
193.12337	0.3
195.13867	9.9
196.14249	0.5
197.11803	38.9
198.12103	1.8
199.13383	2.6
205.12302	9.1
206.12624	0.6
209.11769	0.3
211.13385	4.5
212.13696	0.3
218.17253	0.2
221.11839	0.4
223.13396	100.0
224.13721	5.8
225.11365	0.2
225.14876	0.4
227.12898	1.1
235.08232	5.7
247.20741	0.3
249.14987	0.7
253.09319	15.1
254.09642	0.9
263.20276	2.1
265.18088	1.0
273.18683	0.7
291.19720	14.2
292.20068	1.5
293.21259	0.3
309.20776	51.3
310.21136	4.3
415.19879	0.4
433.20871	0.9
434.21198	0.2
441.21243	0.7
459.22476	11.6
460.22708	1.5
515.33740	0.9
516.34320	0.4
527.28558	0.8
545.29633	1.9
751.42688	1.3
752.42670	0.4
762.02252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01255	5.2
61.98718	4.4
63.02284	2.8
63.50780	0.8
65.00209	6.1
65.00508	1.0
66.71548	0.8
71.01265	4.4
71.56865	1.3
80.02560	0.9
80.96386	0.8
81.03334	1.5
83.01278	5.1
83.04928	4.0
85.02845	1.1
85.09397	0.7
88.98696	2.0
89.02325	2.4
91.01815	0.9
95.01264	1.0
96.95927	4.4
97.02876	0.9
97.06473	0.8
101.02341	3.2
101.05994	0.8
107.01295	12.3
108.02156	1.0
109.02871	3.9
109.06458	2.1
111.08030	0.8
113.02340	1.4
119.04928	0.8
123.04453	1.5
124.01567	2.4
125.02360	4.6
125.05976	0.9
125.09618	1.7
135.00810	1.0
136.01595	3.3
137.02385	10.2
143.04944	1.0
149.02400	0.9
151.00307	44.5
152.01100	4.8
153.01785	1.2
155.03418	0.8
157.02913	1.4
159.04482	1.2
161.04469	1.5
163.00339	7.6
163.11247	6.1
164.01108	6.5
165.01865	2.2
165.12762	2.0
169.01355	5.1
171.04515	1.0
171.10255	5.9
175.03979	1.4
178.99820	41.7
180.00185	1.9
185.11752	2.3
187.03964	3.3
189.01860	1.3
190.99756	1.6
191.10826	1.0
191.14401	2.8
192.00587	3.6
193.01331	2.3
199.04004	2.4
201.01962	2.0
203.03516	7.9
204.03986	1.2
207.10240	3.4
209.11819	70.3
210.12123	2.2
214.02692	2.8
215.03508	6.5
219.03052	1.0
225.11298	3.9
227.03433	3.3
227.12895	11.4
229.01407	0.8
231.03069	4.9
232.03651	2.2
235.08235	2.6
241.01440	1.2
242.02197	3.2
243.03029	10.1
244.03755	1.2
245.19154	5.8
253.09323	7.9
255.02965	2.6
256.03857	1.5
258.01797	2.3
259.02509	16.7
260.02734	1.0
269.74811	0.8
270.01672	2.1
271.02524	26.0
271.17245	1.2
272.02994	3.9
284.03323	1.5
287.02032	30.1
288.02545	2.1
289.18140	43.4
290.18448	2.1
291.19583	1.4
299.02029	5.8
300.02737	5.8
301.03247	1.7
307.19244	15.4
309.21027	1.3
315.01523	61.2
316.02271	100.0
317.03018	35.0
318.03564	1.8
327.19705	1.8
340.02234	1.2
345.20609	1.9
461.07401	15.0
462.08121	46.6
463.08804	16.0
464.09390	1.6
525.27301	1.3
579.41345	0.9
589.20502	2.5
606.21313	3.1
607.21936	81.8
608.22302	14.8
649.22754	5.5
717.38245	1.0
735.39783	3.4
753.27802	49.1
753.40295	2.8
754.28082	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
57.35823	0.4
59.01268	3.5
63.02281	3.4
65.00212	7.5
71.01270	3.0
71.15959	1.0
73.02826	0.8
80.02573	0.8
80.30182	0.4
81.03353	1.2
83.01277	5.5
83.04896	3.4
84.02067	0.6
85.02852	0.9
87.00772	0.5
89.02346	1.7
93.03352	0.7
95.01289	1.0
95.04913	1.2
97.02843	1.2
97.06515	1.6
98.19915	0.4
99.00784	0.5
101.02341	3.0
101.02928	0.4
107.01294	11.6
107.10309	0.4
109.02898	0.7
109.06541	2.1
111.08109	0.5
113.02368	1.6
119.03435	0.5
121.06558	0.8
123.04454	1.2
124.01588	2.0
125.02375	5.1
125.06012	0.8
125.09646	2.6
135.00801	1.0
135.08144	1.1
136.01590	0.9
137.02367	1.8
137.09663	1.1
139.72559	0.4
149.99461	0.6
151.00308	45.4
152.01106	3.9
153.01848	0.9
161.02399	0.7
161.04514	1.1
163.00319	4.5
163.11227	4.8
164.01070	2.1
165.01880	1.1
165.12833	2.2
169.01390	5.2
171.10231	1.2
174.03174	0.8
175.03958	0.7
177.12833	0.5
178.99817	40.1
180.00145	1.5
181.12282	1.0
183.99406	0.5
185.11818	2.4
187.03960	0.8
188.04677	0.9
190.99838	0.9
191.10788	0.8
191.14346	2.2
192.00569	2.7
193.01401	3.4
197.11816	1.4
201.01906	2.0
201.05551	1.2
203.03424	1.9
207.10265	6.4
209.11818	70.5
210.12144	2.9
211.04050	0.6
211.13373	1.1
212.04784	1.2
214.02704	1.3
215.03397	1.8
217.01469	0.8
217.16037	0.5
219.02870	0.6
225.05600	0.7
225.11234	3.4
226.11607	0.5
226.74995	0.5
227.03517	1.9
227.12878	6.3
229.05107	0.6
232.03740	0.7
235.08267	1.9
237.11453	1.4
241.05174	0.6
242.02199	2.0
243.02948	2.7
245.19095	4.6
249.15051	0.7
253.05220	0.6
253.09294	7.6
254.09457	0.6
255.03033	0.9
256.03760	0.9
257.04584	0.5
258.01767	1.1
259.02518	2.7
259.86548	0.5
263.20209	0.9
268.03802	0.5
271.02536	6.8
271.17163	1.0
272.03140	1.3
287.02136	3.3
288.02823	0.6
289.18146	21.2
290.18311	1.1
291.19736	1.6
297.04166	1.1
299.01971	1.8
300.02820	4.5
301.03592	2.2
307.19214	19.5
308.19479	0.5
309.04099	0.8
309.20782	2.4
311.05637	0.8
312.09427	0.5
313.03745	1.0
314.04153	0.5
315.01523	6.3
316.02298	17.4
317.02982	6.7
325.03696	1.5
327.05316	0.5
340.13254	0.8
341.02945	0.7
342.03412	0.6
349.03586	0.6
353.03067	7.0
353.06793	0.8
367.04614	1.7
368.05286	0.7
380.09763	0.5
381.06281	0.9
391.19711	0.6
395.04196	1.3
409.20181	1.3
437.12338	0.7
439.14429	0.6
445.21094	0.6
453.11859	1.9
455.13467	1.6
461.20099	0.6
462.08023	1.7
463.09180	1.4
464.10938	1.9
467.13596	0.6
468.13922	1.0
479.13617	0.9
479.20929	0.5
495.12939	0.8
496.13690	1.8
506.12170	0.9
561.22302	0.7
579.22412	1.0
589.20941	5.3
606.20660	0.6
607.21973	100.0
608.22314	15.2
637.32715	0.7
649.23090	4.6
735.39941	1.5
753.27808	20.9
753.40497	2.5
754.28052	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	753.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73559	1.1
55.01751	3.6
57.03329	4.9
58.00466	2.0
59.00953	2.5
59.01260	79.1
61.98715	100.0
69.03328	1.2
71.01271	58.6
71.59058	1.3
72.01565	1.3
72.99192	4.7
73.02837	14.3
75.00761	1.8
78.95777	3.3
80.96429	1.6
81.03376	1.2
82.87624	1.3
83.01266	10.5
85.02840	29.6
87.00755	7.1
88.98690	1.2
89.02325	21.7
89.26846	1.2
95.01283	5.6
96.95905	20.1
97.02834	2.6
99.00771	6.5
101.02341	35.2
108.02052	1.8
109.02822	2.8
111.00762	2.3
112.98641	1.1
113.02350	26.0
119.03429	7.2
119.04902	2.7
120.99582	1.3
124.01599	2.2
125.02351	12.2
135.02933	2.5
135.04407	1.4
137.02330	3.2
143.03442	3.0
149.04442	1.4
150.03166	1.3
151.00299	1.2
152.01062	1.8
161.02341	1.9
161.04482	5.0
163.03891	1.5
165.01880	2.0
165.05455	1.4
173.02380	1.2
177.01938	1.4
179.03436	2.2
179.05565	1.7
187.03906	1.2
209.11789	3.4
225.00754	1.6
241.01233	2.3
289.07266	1.8
306.24323	1.1
370.51331	1.3
378.04544	1.2
397.45074	1.2
408.36301	1.1
460.02725	1.2
470.42606	1.2
487.33209	6.4
488.31995	1.3
489.32318	6.3
490.32541	1.6
505.34076	9.7
531.33179	1.9
549.33398	4.0
649.38135	91.6
650.38428	14.9
667.39276	62.4
668.39581	9.0
709.40436	46.9
710.40680	8.0
753.30011	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	753.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
59.01266	8.4
61.73688	0.9
61.98704	3.2
69.03339	5.0
70.31268	4.2
70.73115	0.9
71.01276	7.3
71.04891	1.1
73.02842	1.6
75.00727	0.9
78.95814	1.8
80.96398	1.5
83.04916	2.2
85.02834	1.5
87.00787	1.6
88.98733	1.4
89.02333	2.4
95.04902	1.3
97.02815	1.2
101.02328	3.8
111.08083	1.1
113.02345	2.9
125.02321	1.1
125.09634	2.6
133.48869	1.3
151.11220	3.5
153.12755	1.5
153.81349	0.8
161.04501	1.4
161.09636	3.9
163.11197	2.7
165.12801	1.6
171.10220	3.5
179.10751	8.9
181.12280	1.2
195.13882	6.2
197.11810	45.4
198.12183	3.0
199.13365	1.8
205.12416	0.9
207.10245	2.1
209.11813	25.7
210.12109	1.7
211.13368	2.5
223.09785	1.3
223.13368	4.9
225.11342	5.1
227.12859	7.0
228.13539	1.0
235.08170	1.7
241.10706	2.4
245.19093	1.5
253.09294	5.6
263.20111	1.2
275.20248	3.8
289.18054	5.8
291.19748	2.6
293.21274	20.8
294.21567	1.5
307.19080	7.0
308.19302	1.2
309.20758	2.3
425.34958	1.0
461.20374	1.3
483.85614	0.9
735.40179	1.9
753.40802	100.0
754.41113	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	754.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.5
61.98716	100.0
62.98413	0.3
65.00190	0.2
66.93533	0.1
71.01277	0.5
71.08839	0.1
71.29265	0.2
71.29611	0.1
73.02831	0.4
79.95650	0.2
80.96408	0.4
83.01309	0.1
84.07009	0.1
85.02854	0.1
88.98714	0.2
89.02345	0.2
96.95893	0.9
99.04437	0.5
101.02303	0.2
101.05976	0.8
107.01307	0.2
109.02865	0.5
113.02414	0.1
115.00292	0.1
121.02818	0.2
121.19489	0.1
123.04465	0.1
125.02385	0.7
135.02950	0.3
135.04436	0.2
137.02380	1.3
149.02271	0.1
151.00330	0.4
152.00925	0.2
161.02365	0.1
163.00351	0.3
164.01102	0.2
165.01939	0.3
171.10210	0.1
176.01120	0.2
177.01822	0.2
178.99731	0.6
189.99081	0.2
203.03613	0.2
208.56464	0.1
209.11856	0.5
211.13374	0.2
231.06738	0.6
244.03867	0.2
271.02582	0.2
289.07285	0.2
293.21344	0.5
294.21692	0.5
295.21948	0.2
296.22208	0.2
299.02078	0.3
300.02924	0.3
301.03696	0.2
309.20816	0.2
315.01550	0.2
316.02313	0.2
328.02634	0.2
329.02991	1.0
329.14078	0.2
330.03894	0.3
341.03241	0.2
373.12943	0.6
397.09329	1.0
399.14188	0.2
401.12552	0.2
416.15002	0.2
417.15436	0.2
539.15558	0.7
540.16602	0.3
608.22858	0.5
609.23413	0.7
754.29785	0.3
755.29260	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	755.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22813	0.3
59.01263	0.9
60.99209	0.4
61.98754	0.3
63.02296	0.4
64.99919	0.3
65.00229	0.6
67.97535	0.3
71.01266	0.5
78.95798	0.7
81.03336	0.3
83.01311	0.5
88.98699	2.0
89.02334	0.4
95.01308	0.3
101.02318	0.3
107.01260	0.6
109.02862	0.3
124.01604	0.4
125.02363	0.7
127.05404	0.3
137.02374	1.0
143.04922	0.4
151.00288	1.7
159.04488	0.8
161.02448	0.4
163.00359	0.7
163.11124	0.3
164.01071	0.3
169.01347	0.3
169.02826	0.4
171.04465	0.7
171.10262	2.1
172.76959	0.2
173.02390	1.0
178.99843	0.7
187.03963	1.6
191.03432	0.3
197.02423	0.5
197.11784	0.5
199.04025	0.4
199.13332	0.5
201.01974	0.3
201.11113	0.3
203.03433	2.1
207.10240	0.3
209.11786	2.1
211.13400	0.4
213.01920	1.2
214.02725	0.3
215.03505	3.0
217.01382	0.6
219.03064	0.4
225.11333	1.0
227.03600	0.3
227.12793	1.0
231.03004	2.1
241.01453	1.2
242.02228	0.8
243.02965	3.6
253.09251	0.7
259.02512	5.0
271.02512	4.0
272.02771	0.3
287.02026	44.8
288.02344	2.7
291.19647	1.2
293.21317	1.7
297.00375	0.4
298.01102	0.4
299.02054	3.5
300.02682	0.7
309.20691	1.0
315.01520	100.0
316.01947	9.8
317.10510	0.7
443.20358	0.4
461.06699	0.3
462.08127	37.3
463.08490	3.8
483.12900	0.8
591.22498	0.4
593.23907	0.5
608.22858	0.9
609.23499	2.3
640.13690	0.3
645.19910	0.3
706.53961	0.3
744.55133	0.3
755.29303	14.4
755.41492	0.7
756.29681	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	755.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
59.86017	0.6
61.98706	3.3
63.02270	0.7
65.00217	0.8
67.09586	0.6
68.13862	0.6
71.01257	1.8
75.00742	1.8
78.91317	1.3
78.91777	22.7
78.95760	1.3
83.01284	0.9
83.04898	0.7
101.02332	1.0
107.01275	1.5
109.02887	1.2
113.02334	1.2
116.11449	0.7
123.00771	0.7
125.02340	1.2
135.00903	0.8
138.40521	0.6
144.60670	0.7
151.00310	3.1
151.01370	0.6
152.99509	0.6
159.04480	1.1
163.00327	1.2
163.11230	1.5
164.01114	1.6
171.04376	1.2
171.10228	4.0
173.02321	0.8
178.99805	1.7
183.13895	0.7
187.03938	1.3
192.00653	0.7
197.11746	2.2
199.04007	1.2
199.13351	1.8
201.11232	1.0
203.03458	2.8
207.10249	2.2
209.11856	9.7
210.12094	2.6
211.13387	1.4
213.01970	1.8
215.03462	3.8
225.11247	3.3
227.12846	4.3
231.03001	2.1
235.08125	0.9
241.01387	2.0
242.02208	0.9
243.02994	6.0
244.03514	0.7
253.09380	1.8
259.02585	6.9
271.02524	9.2
287.02023	50.2
288.02371	4.4
289.18161	1.3
290.18512	0.8
291.19714	2.9
293.21185	5.4
299.02057	9.7
300.02689	3.2
301.03607	0.9
307.19131	1.6
308.19571	1.5
309.20822	5.9
315.01523	100.0
316.02200	24.5
317.02930	2.9
348.60968	0.7
456.53848	0.7
462.08127	6.0
463.08823	1.9
463.20465	0.7
470.74280	0.8
545.28973	1.1
591.22748	1.1
593.23804	3.0
608.23071	3.1
609.23547	6.4
737.41193	1.1
755.29474	56.3
755.42401	8.1
756.29858	14.3
756.41791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01254	0.8
61.63397	0.6
61.98696	2.4
63.02257	1.9
65.00198	5.1
70.33099	2.5
79.95629	1.4
83.01276	2.5
85.02843	0.7
96.95914	6.4
102.38364	0.6
107.01295	6.1
108.02084	0.8
109.02859	6.9
121.02862	2.7
121.32315	0.6
124.01567	1.3
125.02362	3.7
134.88214	0.6
135.00801	1.5
136.01543	0.5
137.02376	16.8
151.00305	22.9
151.03717	0.7
152.01031	2.5
153.01814	0.8
159.04445	1.1
161.02364	0.9
163.00308	4.4
163.04050	0.7
164.01088	2.3
165.01886	3.9
169.01387	2.4
172.92554	0.7
174.03400	0.7
174.05020	0.6
175.00311	1.8
175.03941	1.2
176.01152	0.7
177.01851	1.8
178.99826	18.5
183.04625	0.9
187.04008	1.1
190.10159	0.6
190.99847	3.4
192.00531	1.1
198.03136	0.6
202.99828	3.3
203.03442	2.8
205.01421	0.9
209.11826	3.5
211.03955	0.7
211.13307	1.3
215.03514	2.1
216.00478	0.8
216.04172	1.4
217.01367	1.0
217.04913	0.7
219.13972	0.7
226.02724	0.5
227.03485	2.1
229.05115	0.8
230.02232	1.4
231.02965	0.8
237.09007	0.6
239.03476	0.6
243.03000	4.4
243.14058	0.8
244.03708	1.1
245.04468	1.1
245.11832	1.7
250.64063	0.6
254.02531	0.8
255.03012	9.4
256.03369	0.9
259.02512	0.8
263.13147	0.7
271.02548	17.1
272.02985	2.2
273.04266	0.7
283.02448	0.8
283.13968	0.7
285.07687	5.2
287.02069	4.1
287.12939	3.3
299.01987	6.1
300.02811	20.5
301.03577	26.7
302.03940	2.0
309.20700	1.0
313.10950	3.4
315.01624	5.6
316.02264	8.4
316.13071	0.9
317.02686	1.0
329.03119	2.5
330.03586	0.9
331.11932	10.6
333.13724	0.8
336.50363	0.8
341.03021	2.5
341.10229	0.7
359.11475	6.2
360.12198	0.8
369.02496	1.4
383.03900	0.8
399.21835	2.2
425.19577	1.9
439.10364	1.5
443.20657	4.9
445.07730	0.7
447.09344	5.5
448.10043	0.6
451.10089	3.7
453.15775	1.5
479.13455	4.6
480.14020	1.0
497.14716	9.6
498.15277	3.5
546.65204	0.7
548.07245	0.7
589.58368	0.7
591.22290	3.8
592.22498	0.7
593.23975	3.2
608.22711	6.6
608.31738	0.9
609.23456	13.8
609.32806	1.1
610.23438	1.2
755.29364	100.0
756.29651	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
61.44077	0.3
61.98711	5.4
65.00196	2.1
68.99676	0.3
69.03348	0.4
71.01260	0.5
71.29423	0.5
74.49292	0.2
81.03357	0.4
83.01284	0.4
95.01263	0.6
96.95908	1.8
97.02845	0.7
101.06005	0.4
107.01286	0.6
108.02032	0.3
109.02865	4.8
119.01276	0.5
119.04969	0.3
121.02867	1.3
121.06530	0.5
123.00767	1.0
123.04380	0.4
124.01603	0.5
125.02370	3.0
133.02815	0.2
135.00807	0.8
136.01588	1.5
137.02368	17.1
138.02692	0.4
139.00282	0.3
140.01042	0.4
143.08546	0.3
145.06525	1.3
149.02354	0.7
149.09669	0.3
151.00281	2.2
151.04025	0.4
153.01854	0.6
155.03397	0.7
158.03693	0.3
159.04463	0.5
161.02408	0.8
162.98949	0.6
163.00319	9.0
163.03908	0.3
163.07582	2.2
164.01103	3.6
165.01889	5.4
167.03389	0.5
169.01328	0.3
172.05269	0.3
173.02248	0.3
173.06015	0.4
174.03114	0.5
175.00331	1.7
175.03955	0.4
175.99606	0.4
176.01051	2.1
177.01933	1.6
178.02640	0.4
178.99777	1.1
179.03459	0.4
187.03969	0.3
187.07594	1.7
188.04694	0.5
189.01904	0.8
189.99039	5.1
190.99820	5.6
191.03482	0.6
192.00534	0.4
193.01366	0.6
199.03957	0.6
200.04648	0.4
201.05504	0.6
201.12801	0.3
202.99866	1.1
203.03413	1.9
204.00603	0.4
205.01411	1.0
205.08591	0.4
206.02299	0.4
207.02985	0.3
208.00099	0.4
209.11827	0.9
211.03928	0.6
214.02615	0.7
215.03438	1.0
216.00523	0.6
216.04285	0.5
217.01482	0.6
217.05031	0.6
217.16074	0.3
218.99303	0.3
227.03442	0.6
228.04254	0.5
229.01404	0.8
229.05089	0.6
230.02193	1.0
231.02971	1.0
231.06631	10.0
232.06976	0.6
233.11731	0.3
239.03453	0.6
241.05135	0.3
243.02977	1.2
243.13852	0.6
244.03778	1.1
245.04575	0.8
255.02931	0.8
256.03738	0.9
257.04572	0.9
259.02493	0.6
259.06119	3.9
261.15118	0.4
263.13123	0.3
267.03098	0.4
267.13998	0.5
271.02490	0.7
271.09573	0.3
272.03250	1.0
272.06210	0.3
273.04071	1.1
273.07373	0.3
275.12524	0.3
282.01746	0.4
283.02588	1.7
285.04019	0.7
285.15024	1.2
287.02112	2.4
287.05188	0.5
287.12912	0.8
299.02100	1.3
300.02756	2.7
301.03622	1.9
304.02444	0.4
305.13843	0.6
311.01999	1.0
311.12903	1.0
313.03442	0.4
313.10849	0.3
313.14465	0.6
314.00595	0.4
315.01596	3.0
316.02237	3.0
317.03006	1.1
327.01489	0.5
328.02316	2.9
329.03070	15.1
329.14005	3.9
330.03766	5.8
330.14471	0.6
331.04358	0.4
331.15454	0.4
341.03116	2.9
342.03445	0.3
343.04633	0.6
355.04688	0.4
355.11935	2.6
356.01901	4.0
356.05832	0.6
357.02298	1.3
357.13531	0.6
362.02576	0.3
369.06195	1.0
370.13950	0.4
372.04797	0.3
373.12961	12.0
374.13531	2.3
375.14249	0.6
385.12717	0.5
387.14282	0.5
397.09384	17.6
398.10004	4.8
399.10571	0.5
399.21805	0.7
401.12460	2.6
402.12744	0.3
411.07321	0.8
413.16379	0.3
425.08896	2.5
425.20047	0.6
427.17340	0.4
443.20804	2.0
444.20926	0.4
451.10675	0.4
465.11859	0.4
471.20419	0.6
485.32932	0.5
493.15274	0.6
495.16678	0.5
503.33853	7.0
504.34183	1.2
511.16159	1.9
512.16565	0.4
521.14734	1.1
522.15289	0.4
539.15717	14.3
540.16309	7.1
541.16968	1.0
591.22711	1.3
598.28607	0.3
608.22662	4.5
609.23474	9.8
610.23810	1.0
686.22363	0.8
737.27606	0.8
755.29315	100.0
756.29718	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	755.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80059	0.7
59.01269	3.8
61.98723	2.4
63.02279	2.5
65.00214	2.4
70.90321	1.5
71.01248	1.0
71.72828	0.7
80.96387	1.0
83.01283	2.6
83.04920	1.3
89.02345	0.9
96.95912	2.1
97.06489	0.6
101.02374	1.0
106.43215	0.6
107.01295	5.9
108.02085	1.0
109.02901	1.9
121.02884	0.9
124.01581	1.8
125.02415	2.1
133.02892	0.8
135.02924	0.7
137.02373	2.2
148.01591	1.3
151.00304	16.3
152.01057	1.3
155.77391	0.8
159.04416	0.9
163.00328	3.0
163.11234	1.5
164.01097	3.8
165.01923	0.8
168.00539	1.1
169.01367	1.3
171.04425	1.9
171.10260	2.1
175.03944	1.9
178.99831	7.1
183.04419	1.2
187.03946	1.8
197.11824	1.8
199.04004	4.7
201.01958	1.8
203.03471	3.2
209.11801	20.1
210.12094	1.3
211.03957	1.2
211.13364	6.9
214.02803	1.1
215.03433	4.8
216.04106	1.4
226.02789	1.0
227.03511	7.2
227.12877	7.4
228.04077	0.7
229.01454	1.0
231.03033	1.3
241.01421	0.8
242.02280	1.1
243.02994	9.4
244.03357	1.4
251.16490	1.2
253.09282	3.8
254.02252	1.6
255.03021	6.6
256.03442	1.2
259.02545	5.3
261.45578	0.9
270.01941	0.8
271.02524	78.2
272.02936	5.6
282.01813	1.3
283.02536	2.4
287.02002	9.6
288.02362	1.3
291.19684	7.9
299.02023	100.0
300.02771	78.3
301.03513	20.5
302.04001	1.2
309.20703	6.6
314.10123	0.7
315.01520	20.2
316.02237	16.2
317.02771	4.4
343.34875	0.8
373.12836	2.0
381.10034	1.2
395.77939	0.8
397.09464	1.4
441.18948	1.1
446.08533	2.7
447.09369	18.1
448.09683	1.7
459.20203	0.8
462.08063	20.7
463.08411	3.5
501.32443	1.8
503.33911	10.4
504.33966	3.2
508.67520	0.8
524.17133	0.7
593.24036	6.8
594.24207	1.3
608.22986	2.2
609.23541	35.2
610.23889	5.8
629.27570	0.9
651.24127	1.4
755.29315	74.7
756.29657	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81423	0.5
56.87415	0.5
57.03342	1.1
59.01270	4.3
61.98715	6.1
63.02287	3.9
65.00209	4.8
69.20650	0.5
71.01254	0.8
71.14392	1.1
73.02842	0.5
79.95602	1.4
80.96372	1.2
83.01277	4.4
83.04879	0.7
88.76962	0.6
95.01266	1.2
96.95911	5.6
99.04435	0.5
101.05974	1.7
106.59700	0.6
107.01296	10.3
107.04900	0.6
109.02862	0.8
111.00829	0.7
121.02831	0.6
123.00769	1.3
124.01598	6.7
125.02390	5.3
137.02362	1.5
146.03647	1.7
149.36250	0.5
151.00308	38.0
152.01102	21.8
153.01743	1.1
159.04393	0.7
161.02390	0.9
162.03163	0.9
163.00299	2.1
163.11198	0.8
164.01039	1.6
169.01373	8.6
175.03938	2.6
176.00926	0.7
176.04562	0.9
177.01904	2.1
178.99823	64.1
180.00137	2.3
181.01468	0.8
187.03996	0.7
188.04840	0.8
189.01892	0.9
189.05519	3.1
190.02585	1.0
190.99803	0.8
191.03413	0.9
192.00664	0.7
193.01385	1.2
199.03922	1.1
199.07674	0.9
203.03458	2.3
209.11787	6.7
211.13470	0.6
214.02477	0.8
215.03442	1.5
217.01453	0.7
217.08649	1.3
227.03458	0.7
227.12885	1.2
228.04234	0.7
229.04956	0.9
231.02979	1.7
232.38409	0.5
240.04309	0.6
241.05005	0.9
242.02246	0.6
243.03003	2.2
243.06454	0.7
246.08887	0.9
259.02451	2.8
271.02536	4.6
283.13748	0.7
285.04062	0.9
285.11243	0.7
287.01978	5.4
290.57486	0.6
291.19681	1.4
299.02011	1.0
300.02789	1.7
300.13760	0.7
301.03525	2.1
301.14548	2.6
309.20776	3.1
311.01990	2.0
312.02713	1.7
313.03513	0.7
315.01517	13.8
316.02274	14.4
317.02917	1.9
317.13965	1.1
318.14890	3.3
319.15536	1.3
319.84686	0.7
325.03555	0.9
329.03159	0.8
329.13959	0.9
330.03958	0.6
359.14844	0.8
360.15884	0.7
370.14124	1.2
397.13556	0.8
413.12521	1.0
427.21655	0.6
428.22241	1.3
429.22842	2.0
434.09583	0.7
435.22302	0.6
460.82449	0.6
461.07065	0.8
462.08200	1.2
465.19226	2.6
523.15955	1.3
573.21216	3.3
591.22449	1.8
592.22705	0.7
593.24054	2.6
609.23486	12.8
610.23694	2.0
629.25916	2.4
755.29340	100.0
756.29688	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	755.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
59.01258	4.5
61.98724	0.9
65.00215	1.8
68.99685	0.5
69.03334	0.6
70.14162	1.4
70.14570	0.9
71.01256	3.4
71.04885	0.5
73.02850	1.0
80.02536	0.5
80.86518	0.4
81.03356	0.9
83.01296	1.4
83.04912	4.1
85.02840	1.1
87.00765	0.8
89.02338	2.1
91.12058	0.5
93.41566	0.5
95.04927	0.7
97.02836	0.6
101.02338	3.4
107.01302	1.8
109.02848	0.8
109.06466	0.6
111.08066	4.1
113.02353	2.1
117.18046	0.4
119.01309	0.5
119.03382	0.9
123.00838	0.6
124.01582	1.9
125.02327	1.7
135.00821	0.6
135.08107	0.6
136.01581	0.6
137.02376	2.0
143.04953	1.1
147.04477	0.7
147.15950	0.5
151.00296	12.9
152.01120	2.3
155.04887	0.7
157.02933	0.7
159.04498	1.5
161.02354	0.6
161.04500	1.6
163.00316	3.2
163.11244	2.9
164.01112	1.2
165.01865	1.0
165.12805	2.3
169.01445	1.0
169.12273	2.1
171.04442	2.1
171.10254	3.1
175.03937	1.0
177.01949	0.8
178.99814	10.3
181.12302	0.8
183.13834	0.7
185.02379	0.6
187.03975	3.4
189.01929	0.5
190.99892	0.5
191.03302	0.6
191.10751	0.9
193.01408	0.9
197.11798	22.0
198.12070	0.9
199.03955	2.3
199.13344	2.5
201.01898	1.5
203.03471	11.2
203.05301	0.7
204.03870	0.8
207.10263	1.0
209.11806	81.6
210.12125	2.4
211.13364	8.4
213.02005	0.5
214.02705	3.7
214.17047	0.5
215.03459	8.4
217.01414	1.5
225.11348	2.1
227.03410	1.1
227.12903	12.1
231.02982	7.9
232.03682	0.5
235.08234	3.0
241.01424	1.3
242.02173	3.8
243.02995	10.5
244.03613	0.8
245.01021	1.0
253.09303	15.3
255.03127	0.7
258.01639	0.6
259.02499	22.6
259.05295	1.1
260.02847	1.6
263.20203	2.0
270.01678	4.8
271.02521	38.8
272.02887	2.9
273.18613	0.6
286.01086	0.5
287.02011	41.4
288.02448	3.2
291.19693	12.0
293.21246	3.3
299.02051	2.0
300.02780	3.6
301.03503	1.3
307.19141	1.8
309.20770	36.8
310.21118	1.6
315.01514	100.0
316.02249	91.7
317.02939	21.2
318.03293	0.9
325.20093	0.7
345.70206	0.5
445.20898	0.5
447.22644	0.6
461.07324	16.8
462.08105	62.2
463.08862	63.0
464.09219	6.3
545.29919	0.5
591.22467	1.5
592.22943	0.7
593.24841	1.0
609.23535	7.9
610.23651	1.2
713.05396	0.6
737.28467	0.6
737.41333	0.8
755.29321	49.6
755.40454	2.2
756.29541	8.8
756.42322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01247	2.9
61.98723	3.5
65.00211	3.5
70.77439	0.7
71.01241	2.6
71.57561	0.7
71.57944	1.2
78.95801	1.7
79.95628	1.3
80.96397	2.6
81.03395	0.9
83.01266	0.9
83.04880	0.7
85.02828	0.9
89.02364	1.4
93.03370	1.6
96.95932	3.8
101.02342	1.3
107.01284	4.8
109.02876	3.2
111.08053	1.7
113.02319	1.0
113.48705	0.6
121.02880	7.1
123.04388	1.1
124.01601	0.8
125.02352	2.3
135.00761	1.0
136.01529	0.8
137.02321	2.4
139.03943	1.0
149.00060	0.9
149.02353	2.6
151.00308	13.0
152.01041	1.5
152.77330	0.6
161.02379	1.1
163.00313	8.7
164.01051	2.1
165.01862	1.9
165.12732	0.7
171.10223	0.7
175.00314	1.9
175.03935	1.2
176.01085	1.2
177.01817	1.3
178.99829	6.5
180.00156	0.8
187.04037	1.7
187.07651	1.6
189.01912	0.9
189.99033	4.4
190.99785	2.1
191.03491	0.7
192.00650	1.2
193.01291	0.8
197.11781	5.3
199.03990	1.5
199.13335	1.9
202.02602	0.6
202.99858	0.8
203.03418	1.8
205.01407	0.9
209.11801	14.2
210.12155	1.0
211.13333	3.0
213.05457	1.4
215.03423	2.0
217.05251	0.9
226.02687	0.7
227.03461	2.0
227.12904	10.8
228.04128	0.8
229.04991	1.4
231.06631	5.6
239.03439	1.0
240.04221	2.0
241.05051	2.3
242.02248	1.4
243.03070	4.2
246.81540	0.7
253.09312	3.5
255.02992	4.9
256.03940	1.7
257.04526	3.2
259.02512	1.8
259.06085	2.6
267.03195	2.0
268.03741	1.9
269.04651	1.9
270.01694	1.3
271.02570	13.2
272.03030	1.5
277.23218	0.7
283.02530	2.8
284.03311	2.9
285.04108	14.4
285.14948	1.0
286.04633	1.5
287.01981	2.7
289.07184	0.8
291.19650	4.3
294.01788	0.9
295.02612	1.8
297.04123	1.5
299.02066	11.7
300.02780	17.2
301.03488	8.0
309.20721	10.8
310.21164	1.3
311.01959	2.7
312.02792	1.2
313.03568	10.5
314.04358	13.4
315.01523	7.9
315.05109	2.4
316.02341	6.2
317.02856	1.6
327.05170	2.3
329.13989	2.6
330.14642	0.8
340.02225	5.2
341.03159	3.5
346.03497	6.0
353.06714	5.1
353.10434	1.1
354.07208	0.7
355.11780	1.4
367.08444	1.4
373.12964	6.5
374.13623	2.8
375.14679	1.0
381.09924	37.1
382.10300	6.0
393.06189	0.8
395.07849	1.8
399.21835	2.1
401.12277	1.5
409.09198	2.2
443.20834	2.9
445.07843	0.9
446.08524	1.6
447.08359	7.0
447.13864	3.6
449.12375	0.8
462.08142	11.2
463.08423	1.6
463.14554	1.2
463.21848	1.3
471.20892	1.3
523.16260	5.4
524.16821	7.2
575.23273	1.7
591.22809	0.9
592.23456	4.4
593.24060	53.9
594.24268	9.5
609.23297	4.1
635.24805	1.6
737.29065	0.9
755.29370	100.0
756.15820	1.2
756.29657	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	755.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
58.00484	0.4
59.01258	4.2
60.70129	0.2
61.98702	0.3
63.02293	0.2
69.03336	0.4
69.32039	1.8
71.01266	3.8
71.04915	0.3
71.42898	0.2
72.99188	0.2
73.02842	0.7
78.95760	0.2
80.02550	1.0
81.03359	1.1
83.01294	0.6
83.04910	4.0
84.02062	0.7
85.02842	0.8
87.00769	0.6
89.02338	2.2
93.03389	0.3
95.01279	0.3
95.04924	0.9
95.17513	0.2
96.95919	0.6
97.02872	0.6
97.06482	0.2
98.19760	0.3
99.04424	0.2
101.02346	3.2
107.01264	0.4
109.02853	0.3
109.06512	0.5
110.03662	0.2
110.63213	0.2
111.08066	5.3
113.02345	1.6
119.03430	0.7
124.01596	0.2
125.02335	0.4
125.05996	0.4
125.09590	0.4
127.07587	0.6
133.04985	0.2
135.08047	0.5
137.02394	0.5
143.03456	0.4
145.05086	0.2
147.11662	0.4
149.09608	0.2
151.00320	2.0
151.11206	0.7
152.01028	0.3
153.09152	0.5
153.12773	0.5
155.10719	0.3
161.04478	1.5
163.00346	0.5
163.10004	0.3
163.11246	3.9
165.12802	2.6
166.13086	0.2
167.10710	0.4
169.12291	2.6
171.10197	1.7
178.99852	2.0
179.05551	0.2
179.10748	0.2
181.12331	1.4
183.13893	0.6
187.03893	0.4
191.10742	0.8
191.62926	0.2
193.12321	0.5
197.11806	25.9
198.12119	1.6
199.04004	0.3
199.13397	1.6
201.11290	0.3
203.03461	1.0
204.70433	0.2
207.10268	0.3
209.11809	100.0
210.12149	5.6
211.13393	5.1
212.13591	0.4
214.02713	0.8
215.03542	0.8
225.11333	0.8
225.20496	0.2
226.11757	0.2
227.03444	0.3
227.12894	12.7
228.13266	0.7
231.02985	0.8
235.08220	3.9
242.02168	0.7
243.02977	1.6
247.20831	0.3
249.14867	0.3
253.09325	14.2
254.09637	0.7
259.02496	2.4
263.20123	1.3
265.18100	0.4
270.01855	0.9
271.02521	6.4
272.02908	0.5
273.18646	0.6
284.46646	0.2
287.02036	5.2
288.02475	0.7
291.19708	11.3
292.20065	0.7
293.21274	1.5
299.01950	0.9
300.02640	0.9
307.19034	0.7
309.20761	38.8
310.21112	3.4
314.98700	0.2
315.01523	8.7
316.02277	16.5
317.02960	4.0
318.03281	0.2
325.20245	0.5
327.01404	0.2
347.04745	0.4
415.19809	0.2
433.21039	0.4
445.20978	1.5
461.07404	1.6
461.20419	0.2
462.08099	7.6
463.08875	15.1
464.09161	1.8
501.32095	0.3
527.28308	0.2
545.29700	0.5
588.22864	0.2
591.21863	0.3
593.23956	0.3
608.21637	0.2
609.23346	1.1
682.99878	0.2
737.40839	0.3
755.29187	3.4
755.42383	0.5
756.29712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
56.88975	0.3
57.03334	0.8
58.00489	0.7
59.01262	4.6
61.98690	0.4
65.00165	0.3
69.03336	0.8
71.01263	3.4
71.04909	0.3
72.01936	0.3
73.02836	0.8
73.61673	0.3
80.02558	1.2
81.03348	1.0
83.01279	0.8
83.04907	4.6
83.75000	0.3
84.02044	0.8
85.02857	1.3
87.00740	0.6
89.02344	2.4
89.23576	0.3
95.04924	0.5
96.95903	0.3
97.02828	1.6
97.06480	0.5
98.19790	0.8
100.19794	0.3
101.02322	2.9
101.97186	0.3
107.01283	0.6
109.06486	0.6
111.08067	4.7
113.02379	2.2
119.03440	0.7
124.01571	0.3
125.02392	0.4
125.05986	0.8
125.09625	0.4
135.08081	0.5
137.02271	0.5
137.09654	0.4
143.03435	0.6
145.04942	0.4
151.00302	2.7
151.11206	0.5
153.12799	0.7
157.05154	0.3
159.04359	0.5
161.04497	1.4
163.11230	4.1
165.12823	3.5
169.12289	2.3
171.04411	0.4
171.10214	3.6
172.10719	0.4
175.03954	0.5
178.99756	1.6
179.05536	0.7
179.10681	0.3
179.53484	0.3
181.12302	1.3
183.13834	0.6
187.04012	0.8
191.10745	1.0
197.11806	28.2
198.12187	1.4
199.04016	0.4
199.13390	2.1
200.00948	0.3
201.01985	0.3
203.03471	2.5
207.10277	0.6
209.11807	100.0
210.12149	4.8
211.13383	5.3
214.02655	0.6
215.03510	1.9
223.13579	0.6
225.11363	1.2
226.11696	0.4
227.03654	0.4
227.12881	14.5
228.13097	0.6
231.03001	1.7
235.08217	3.1
241.01585	0.4
242.02211	0.7
243.03009	2.5
243.88689	0.3
247.20709	1.0
253.09320	14.5
254.09700	0.8
259.02524	4.4
263.20215	1.0
265.18188	0.7
270.01645	0.5
271.02512	6.7
272.02939	0.8
273.18652	1.0
275.20349	0.4
287.02026	8.7
288.02344	0.5
291.19711	18.8
292.20071	1.9
293.21231	2.7
300.02756	0.7
301.03671	0.5
309.20758	48.4
310.21115	4.0
315.01511	23.0
316.02246	15.7
317.02948	3.5
433.20621	0.5
445.20813	1.1
461.07333	5.6
462.08109	26.4
463.08691	6.6
463.14767	0.5
463.21503	0.4
464.09332	0.4
500.41785	0.3
501.32129	0.8
529.89410	0.3
545.29712	1.3
554.98932	0.3
609.23657	0.7
755.29211	3.8
755.41400	0.6
756.29541	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10325	0.9
54.29214	0.8
57.03328	2.9
59.01254	2.7
61.98709	3.4
63.02285	3.6
65.00199	5.5
68.05129	0.8
69.03356	1.1
70.34734	3.9
71.01262	2.0
75.40531	1.0
81.03345	1.9
83.01280	8.4
85.02856	1.2
85.31473	0.8
88.98696	1.9
89.02334	1.8
90.20644	0.8
90.68095	0.9
93.03333	2.8
95.04964	1.5
96.95919	4.4
98.20518	0.9
99.00778	0.9
107.01286	12.6
109.02850	1.8
119.04922	1.0
121.02860	1.4
124.01571	2.6
125.02375	17.1
134.03670	1.0
135.04391	1.9
135.90703	0.8
137.02377	11.7
139.03947	1.3
145.02930	1.1
149.02368	1.4
149.05946	1.0
150.03207	1.3
151.00308	40.8
151.03975	1.1
152.01024	2.7
153.01863	1.4
153.66516	0.8
154.14532	0.8
159.04440	1.8
161.02429	1.4
163.00340	2.1
163.03957	1.9
164.01102	3.1
165.01881	2.9
167.03462	6.9
169.01350	6.4
173.06055	3.2
174.03131	0.9
175.03917	1.6
176.01215	1.2
177.01929	4.5
178.99818	46.2
179.03325	4.7
180.00153	1.9
183.04466	3.0
185.06104	1.5
187.03949	1.9
189.02013	0.9
192.00534	1.0
193.01408	11.1
193.05019	1.5
194.01564	0.8
195.04495	0.9
199.03943	3.4
201.05525	5.7
203.03481	3.1
205.01436	5.8
207.02946	3.8
211.03973	6.5
212.04652	1.5
213.05475	1.1
214.02669	3.4
215.03531	7.0
217.01448	1.3
219.02934	2.9
223.04155	1.1
225.05495	1.2
227.03502	7.2
228.04234	6.2
229.01488	2.3
229.05048	10.0
231.02924	2.0
237.05498	1.0
238.02744	1.4
239.03491	6.2
241.01320	1.0
241.05113	3.3
242.02127	1.6
243.02919	8.3
247.02492	3.9
249.05518	1.5
251.03546	3.6
253.05016	1.9
254.05864	1.3
255.03050	5.4
255.06615	3.5
256.03708	5.9
257.04544	8.4
263.06937	1.1
265.05139	3.4
267.03046	4.9
267.06732	1.5
269.04568	3.4
271.02322	1.3
275.02069	1.1
277.05240	1.8
279.03186	1.6
279.06659	2.1
280.03723	1.8
281.04712	5.5
281.07571	1.2
283.02567	1.6
284.03387	1.1
289.05017	1.1
291.06622	1.6
293.01434	1.1
293.04535	3.6
299.05615	2.6
301.04803	1.4
305.04572	3.4
305.07977	1.2
306.05215	1.0
307.06183	2.9
309.04160	2.0
309.07657	2.4
311.05597	1.3
317.04572	3.2
318.05249	1.5
319.06146	2.2
321.04132	4.6
322.04694	1.7
323.05670	2.7
325.03674	1.1
329.04501	1.8
333.04050	3.1
333.07642	1.4
334.04736	1.2
335.05597	4.0
337.03500	2.7
345.03925	4.8
346.04700	1.7
348.02707	1.3
349.03598	2.2
350.04398	7.0
351.05133	8.3
352.05600	1.3
359.05621	1.3
361.03592	2.9
362.04370	3.4
363.05194	17.3
364.05731	1.6
366.03952	1.5
367.04620	5.4
373.03607	3.6
374.03946	1.3
375.05060	2.9
377.06879	4.5
379.04849	4.8
380.05380	2.8
381.06143	5.7
387.05051	1.2
390.03848	2.1
391.04706	16.1
392.05090	1.7
394.03049	1.0
395.03915	2.2
401.03152	5.5
402.03818	1.2
403.04623	2.2
407.04230	3.2
408.04849	3.0
409.05713	10.8
418.03378	3.1
419.04163	80.1
420.04428	9.2
421.05798	1.4
429.06351	1.2
431.04037	2.0
435.03476	1.2
436.04379	0.9
437.05173	5.3
497.11264	4.3
531.09521	1.3
539.06012	1.9
553.09888	11.7
554.09863	1.5
555.11340	2.7
557.07483	7.5
565.09778	4.9
575.08398	60.1
576.08893	9.5
583.11102	16.6
584.11383	2.6
703.12933	6.2
721.14221	100.0
722.14630	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	757.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.8
58.00475	3.1
59.01261	85.5
60.01591	0.9
61.98726	1.7
69.45860	7.8
71.01264	50.0
72.99202	4.7
73.02837	3.2
79.88120	0.9
83.01292	2.1
85.02837	8.9
87.00758	2.8
89.02334	70.0
90.02665	1.4
95.01276	3.5
96.95901	1.5
101.02341	23.9
113.02355	20.2
117.01854	1.6
119.03410	26.0
125.02387	2.5
131.03409	3.9
135.02959	1.3
137.02328	1.1
143.03424	9.8
149.04489	2.7
161.04492	11.1
179.05565	46.9
180.05899	1.0
207.05159	1.7
231.33051	1.0
243.03162	1.1
271.02560	1.3
272.02881	1.5
300.02881	1.8
301.03143	1.8
451.28549	1.5
469.29697	1.1
487.30746	5.0
517.31885	12.8
518.31940	2.6
533.31470	1.4
534.31580	2.1
535.32813	100.0
536.33234	15.6
577.34100	1.3
630.76166	1.0
697.37671	1.6
757.20313	2.4
757.40710	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03331	1.5
58.00483	3.8
59.01263	89.3
60.01592	0.9
60.99214	0.6
69.81065	2.2
71.01268	77.5
72.01605	1.2
72.89316	0.5
72.99191	7.3
73.02838	1.5
75.00747	0.6
80.78083	0.5
83.01286	2.3
85.02840	13.3
87.00777	4.7
89.02334	100.0
90.02677	1.5
95.01282	4.5
96.95880	0.5
101.02345	36.7
102.02706	0.8
107.03430	1.5
109.02901	0.5
113.02354	31.6
114.02726	0.8
118.99097	0.5
119.03416	36.1
125.02363	3.1
131.03435	4.6
135.02914	1.3
137.42673	0.5
143.03427	12.3
149.04494	4.5
161.02438	0.6
161.04492	16.0
161.78618	0.5
179.05571	69.2
180.05939	2.8
191.01942	0.5
208.74318	0.5
238.98163	0.6
239.07767	1.4
252.65385	0.5
289.07434	0.7
355.02328	0.6
403.26572	0.6
405.26596	1.1
437.30814	0.7
453.30414	0.7
505.31625	2.4
506.32053	0.6
517.31775	9.5
518.32452	0.8
535.32855	9.5
535.40759	0.5
536.33264	1.7
697.38892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.9
61.98705	4.5
63.02282	6.0
65.00204	11.2
70.04479	5.6
71.01266	3.9
72.85370	1.5
72.99174	1.7
74.30601	1.2
75.00776	15.3
83.01280	7.5
85.02829	2.2
89.02327	2.9
107.01295	21.6
113.02291	1.2
116.26871	1.3
117.01836	5.0
119.04891	2.5
121.02853	3.3
124.01575	2.1
125.02363	14.0
130.49010	1.2
135.02934	16.4
137.02412	2.3
151.00308	50.4
152.01025	4.6
153.01895	1.3
161.02371	2.0
163.00307	1.9
163.03937	2.3
169.01393	13.6
173.02402	1.7
178.99829	50.8
179.05376	1.4
180.00201	1.6
190.99870	2.0
192.00522	2.2
193.01421	10.7
195.04428	1.4
198.03207	2.1
199.03966	3.7
199.35654	1.2
201.01894	6.8
203.03542	1.4
205.01422	1.5
207.05016	3.3
208.00201	1.8
211.04056	6.8
212.04405	1.9
213.01746	1.4
214.02730	1.6
219.02780	1.3
223.03979	3.9
225.05594	7.5
226.02681	1.4
227.03493	17.1
229.01405	6.1
231.02798	1.4
233.00877	2.5
235.04044	3.2
237.01964	2.0
239.03459	7.7
240.04280	2.5
241.05182	2.9
242.02277	1.5
242.05830	1.3
243.03073	2.3
243.06683	1.6
245.00977	5.2
249.06052	2.7
250.02859	2.1
251.03482	16.7
252.04224	1.6
253.05052	5.8
255.03024	9.2
255.64799	1.2
256.03763	2.5
257.04620	4.9
263.03622	7.4
264.04144	1.8
265.01517	1.3
265.05045	1.8
267.03091	3.7
268.03754	2.3
270.05243	2.3
271.06104	3.4
277.01443	3.3
278.01993	1.7
279.03067	18.7
280.03821	33.0
281.04562	17.2
282.04742	1.6
283.02472	24.5
284.02939	1.6
289.01511	3.0
291.06424	1.6
293.04684	1.7
295.02621	3.1
296.03314	11.8
297.04129	8.0
300.99783	1.6
301.05142	2.5
305.01224	2.9
307.02505	19.5
308.03250	3.4
317.04538	1.9
322.04819	2.1
323.05545	15.3
324.02899	1.5
325.03610	6.2
333.00494	6.5
347.05600	5.1
349.03568	8.1
351.01453	5.5
353.08807	1.9
359.05679	4.8
361.06839	1.4
369.03949	3.1
371.05777	1.7
371.09964	4.4
373.03790	2.8
375.05084	4.2
385.03714	1.9
386.04306	2.0
387.05203	4.9
389.06848	3.0
391.04810	1.7
403.04572	2.6
405.06210	17.4
414.03906	6.9
415.04837	9.9
416.04895	2.0
417.02692	6.2
431.04111	1.8
433.05667	21.1
434.06137	2.6
451.01233	1.8
451.06821	16.1
452.07233	1.6
459.03534	2.6
477.04691	55.3
478.05411	6.6
536.33252	2.2
579.11578	20.8
580.11865	2.4
581.09833	1.7
597.12598	30.8
598.13074	4.3
613.08203	3.6
614.08539	2.0
623.10504	100.0
624.10718	16.4
759.14301	54.7
760.14795	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	759.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13840	2.2
57.03323	3.5
59.01255	4.2
63.02266	7.5
65.00194	18.3
69.42609	20.2
71.01269	2.5
73.70912	2.3
75.00761	25.0
83.01279	14.9
85.02843	3.4
89.02322	5.0
93.03365	2.8
107.01294	30.3
119.04938	21.6
125.02349	14.2
134.03612	4.5
135.02921	42.8
137.02354	3.8
151.00308	65.9
152.01007	3.1
163.03943	24.8
169.01376	20.3
173.02350	3.1
178.99809	71.1
189.04013	3.8
192.00537	3.1
193.01390	12.7
193.04971	7.0
199.03983	5.2
201.01862	9.0
207.35202	2.5
208.00233	2.9
210.03255	2.9
211.03993	11.6
223.03938	5.9
225.05615	14.6
227.03467	29.2
229.01422	6.2
233.00940	2.8
235.03970	5.9
239.03438	9.7
240.04230	5.8
241.05032	3.6
242.05762	3.8
243.03096	3.8
243.06821	2.7
245.00943	7.9
251.03479	27.5
252.03984	3.6
253.05191	12.1
255.02872	11.7
256.03589	3.8
257.04501	9.0
263.03448	9.2
263.06955	2.6
267.02951	4.2
270.05353	8.1
271.06143	6.5
277.01498	4.7
279.03036	28.5
280.03815	51.3
281.04446	23.5
283.02499	30.4
284.03223	2.9
289.01410	4.7
295.02652	5.2
296.03387	16.1
297.04044	10.0
301.05014	5.0
305.01175	3.2
307.02542	33.8
308.03302	5.0
317.04727	3.4
323.02179	3.5
323.05621	21.0
325.03558	6.9
333.00317	6.8
341.04672	4.5
343.05991	3.2
345.04111	3.8
345.07855	3.0
347.05606	8.6
349.03491	9.8
351.01456	7.4
353.08731	4.5
359.05566	7.1
365.06830	3.4
375.05072	4.6
385.03708	2.8
387.05078	5.2
389.06784	5.4
391.04355	3.0
403.04819	4.3
405.06171	25.7
414.03690	16.0
415.04688	19.4
417.02475	6.0
433.05753	41.2
451.06796	35.8
452.31961	3.0
459.03571	5.8
477.04745	74.0
478.05045	7.6
551.11902	5.4
579.11639	32.6
581.09790	2.6
597.12622	69.7
598.12964	11.6
623.10510	100.0
624.10840	14.8
686.98523	3.3
759.14679	26.6
760.15247	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	759.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09069	0.8
57.03345	1.3
57.20866	0.9
59.01265	3.3
62.27260	0.8
63.02283	8.3
65.00209	14.0
68.35562	0.8
71.01281	2.2
71.04655	1.5
72.99184	2.2
75.00764	22.4
83.01274	9.8
89.02338	2.9
95.01316	0.9
107.01296	25.7
108.01609	1.1
117.01920	0.8
117.51234	1.0
124.01590	1.5
125.02379	13.6
131.17725	1.1
135.02919	38.8
135.03960	2.0
137.02359	3.3
151.00311	64.1
152.00983	3.8
161.02431	1.5
163.00298	3.9
165.01840	0.9
169.01363	11.2
173.02359	1.9
174.03198	1.3
175.03995	1.4
177.01944	1.7
178.99828	59.7
180.00142	3.0
182.03764	0.9
184.04993	0.9
190.99779	2.0
192.00475	2.2
193.01398	12.3
194.01978	1.1
196.38240	0.9
197.02515	1.3
198.03236	2.0
199.04047	5.6
201.01912	9.5
203.03529	1.6
205.01393	1.5
207.04610	1.1
208.00127	3.0
210.03166	1.7
211.04044	7.3
212.04697	1.9
213.02028	1.0
213.05493	1.4
214.02754	1.3
215.03448	1.6
217.01436	2.4
222.03351	1.1
223.03934	6.1
224.04868	1.9
225.02144	1.3
225.05577	8.9
226.02739	2.2
227.03488	20.9
228.03949	2.1
229.01457	7.4
231.03061	2.3
233.00984	2.2
235.04033	4.6
237.02040	1.6
238.02742	0.9
239.03532	9.4
239.07118	1.2
240.04279	3.6
241.05109	3.8
242.02243	1.7
242.05786	1.4
243.03035	2.2
243.06642	1.5
244.03540	1.0
245.00919	5.1
249.01920	1.0
249.05547	1.1
250.02773	2.0
251.03531	22.0
252.04086	3.0
253.05099	8.5
254.02278	1.0
255.02979	11.8
256.03720	3.0
257.04483	5.2
261.02042	2.7
263.03589	9.3
263.06284	1.3
263.07196	1.0
264.04254	1.8
266.02441	1.6
267.03036	4.3
268.03760	2.9
269.04633	4.2
270.05313	4.7
271.06091	8.0
273.00558	1.4
273.05734	1.0
277.01508	4.8
277.05011	2.2
278.02097	1.1
279.03058	27.8
279.06140	1.7
280.03812	40.2
281.04581	22.5
282.01920	2.0
282.04868	1.9
283.02469	27.7
284.02817	2.2
289.01486	5.7
289.04648	1.5
289.08652	0.9
290.02280	1.7
293.04550	1.8
295.02560	2.9
296.03363	15.8
297.03970	9.4
298.04633	1.4
299.07114	1.1
300.02914	1.1
301.00098	1.6
301.05103	4.0
303.06757	1.5
304.03986	1.8
305.00940	3.8
305.04468	2.0
307.02557	28.8
307.06149	1.7
308.03189	6.4
315.01639	1.0
315.06769	1.3
317.04684	3.3
317.08218	1.3
319.06079	2.8
321.03955	1.7
322.05063	1.2
323.01981	2.0
323.05667	18.6
324.02750	1.9
324.06274	1.7
325.03363	5.5
331.06201	2.2
333.00473	7.4
334.00839	1.7
341.04694	2.3
343.06155	2.5
345.03976	2.0
345.07855	2.2
346.04623	1.4
347.05698	5.5
349.03622	8.7
350.00662	1.5
351.01413	6.7
355.06815	3.2
357.04199	1.2
358.04831	1.1
359.05710	4.0
360.06351	1.5
365.06555	1.8
369.04105	2.4
371.05792	2.6
373.03644	2.7
375.05142	3.7
385.03583	3.4
386.04306	2.2
387.05136	7.1
389.06906	5.7
391.04584	1.9
397.03421	1.3
398.04312	1.1
402.11008	1.1
403.04694	3.5
405.06247	19.4
406.06854	1.7
413.03268	1.4
414.03857	11.0
415.04636	14.5
416.05084	1.6
417.02512	6.6
431.04361	2.2
432.04865	2.4
433.05692	31.7
434.06351	5.1
435.03275	1.7
450.05939	1.2
451.06784	28.5
452.07059	2.7
459.03693	3.6
477.04742	69.3
478.05075	7.8
551.12164	2.1
579.11523	29.6
580.11707	4.1
581.09796	1.9
597.12610	65.9
598.12994	9.3
613.08490	1.9
623.10529	100.0
624.10907	14.8
741.13147	1.2
759.14325	25.7
760.14709	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	759.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.8
59.01250	4.1
60.15955	1.1
60.77303	1.2
63.02272	10.3
65.00209	12.3
70.98512	3.1
70.98861	1.3
71.01247	3.2
72.99191	2.7
75.00758	17.6
83.01275	8.7
89.02334	3.2
107.01292	25.0
109.02860	1.3
124.01558	1.9
125.02354	12.3
135.02913	24.6
137.02380	1.9
143.49113	1.4
151.00310	71.1
152.01022	3.9
153.01898	1.6
163.00328	2.2
163.03922	2.5
165.01799	2.5
169.01387	17.8
173.02354	1.5
178.99820	79.6
180.00142	3.0
183.04448	1.6
185.06033	1.4
190.99760	1.8
192.00574	2.6
193.01399	13.1
195.04529	3.2
196.05067	1.4
197.06065	1.8
199.04008	3.8
201.01933	7.3
207.45129	1.2
207.99966	1.9
211.04082	6.9
212.04704	1.6
213.05559	2.7
214.02667	1.8
220.45132	1.2
223.04018	6.4
225.05565	9.6
227.03477	19.2
228.03981	1.9
229.01445	6.3
231.02960	1.3
233.00912	2.1
235.03926	2.5
239.03435	8.3
240.04198	1.8
241.05020	5.2
242.02303	2.1
242.05911	2.4
243.03006	2.9
243.06653	3.7
245.00879	3.5
247.02409	2.0
251.03491	18.9
252.04066	2.6
253.05135	9.1
254.05772	1.7
255.03012	9.3
256.03741	2.3
257.04565	10.3
263.03632	6.5
264.04224	2.8
267.03079	2.6
268.03656	2.0
269.04565	5.7
270.05338	8.6
271.06046	8.1
277.01447	3.6
277.05038	2.1
279.03018	27.5
280.03775	35.7
281.04514	17.4
283.02496	22.7
284.03122	1.4
289.01434	3.2
290.02148	2.2
295.02908	2.7
296.03271	12.3
297.04028	10.1
298.04626	2.2
300.99985	1.6
301.04990	2.4
305.01169	2.6
305.04575	2.8
307.02518	45.8
308.03018	7.6
319.06067	2.1
322.04828	3.8
323.05591	30.0
324.02679	2.6
324.06088	1.8
325.03586	10.8
333.00409	5.2
343.06152	3.5
345.07678	4.2
346.04776	2.3
347.05750	10.9
348.02634	2.7
349.03442	8.8
350.00610	1.9
351.01422	5.6
355.06644	1.4
358.04962	1.6
359.05728	3.9
360.06500	1.8
361.07349	3.5
369.03882	1.4
371.05817	1.7
373.03763	2.0
375.05075	2.8
385.03232	1.6
386.04141	3.1
387.05026	7.5
389.06894	7.7
391.04565	1.9
403.04599	3.4
405.06226	21.0
414.03860	9.7
415.04663	14.8
417.02481	6.9
431.04233	1.7
432.04968	2.7
433.05704	29.8
434.06494	3.2
451.06778	27.5
452.06952	2.1
459.03647	3.3
477.04718	58.4
478.04846	7.1
551.11505	1.8
579.11499	22.0
580.11975	2.9
597.12604	81.0
598.13110	10.0
613.08734	3.3
623.10486	100.0
624.10675	14.2
696.49854	1.4
759.14252	44.0
760.14417	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	759.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83452	2.1
57.03325	2.5
59.01260	20.1
59.80001	2.1
61.98719	6.7
63.02275	7.2
64.88522	2.0
65.00211	10.8
71.01269	13.7
71.57663	2.7
72.99194	4.5
75.00761	21.7
83.01289	7.8
85.02822	3.5
87.00753	2.3
89.02333	15.8
101.02378	5.8
107.01278	19.2
109.02850	2.3
113.02343	4.0
114.13970	2.0
117.01817	4.7
119.03437	2.9
125.02341	14.9
134.03645	2.2
135.02913	39.7
135.04062	2.2
135.04401	3.0
137.02345	3.4
151.00304	52.7
152.01073	5.1
161.02354	3.4
161.04514	2.5
163.00323	2.9
163.03989	3.3
169.01393	10.8
177.01907	2.7
178.99831	53.3
179.01328	4.6
179.03381	4.3
179.05620	6.8
180.00180	3.2
193.01401	10.1
197.06056	2.7
199.03981	5.1
201.01849	5.9
207.04984	3.3
211.03979	5.3
213.05499	3.6
223.04102	4.1
225.05540	6.4
227.03481	13.1
229.01408	9.3
231.03123	2.6
235.03758	4.5
239.03543	8.9
240.04384	3.1
241.04979	4.9
245.00931	3.9
251.03528	20.3
253.05086	6.1
255.03026	9.7
256.03656	2.7
257.04517	7.8
259.06226	2.4
263.03476	8.4
264.04105	2.8
267.02945	2.4
269.04395	3.3
271.06219	4.4
277.01541	4.3
279.03030	23.4
280.03775	39.8
281.04584	16.1
283.02527	25.7
284.02966	2.6
289.01453	3.3
296.03284	10.0
297.04044	10.6
301.05029	2.4
304.18024	2.4
305.01004	3.1
307.02512	28.1
308.03113	2.8
316.02274	2.5
323.05594	14.6
325.03595	5.1
333.00464	5.5
341.04550	2.8
347.05640	5.1
349.03616	9.1
351.01541	5.0
359.05728	2.9
375.05112	3.0
386.04572	4.0
387.05075	6.0
389.06717	7.6
403.04834	3.6
405.06262	16.5
414.03769	10.1
415.04681	14.8
416.05173	2.5
417.02866	3.9
431.04178	2.7
432.04694	3.7
433.05701	30.7
434.05341	2.7
451.06879	25.6
452.06921	3.5
459.03809	6.6
477.04715	63.8
478.05032	6.1
518.31738	2.8
535.32654	4.7
536.33313	17.2
537.33429	5.6
579.11499	23.4
580.11957	4.5
597.12665	66.4
598.13068	7.8
623.10577	100.0
624.10608	14.6
759.14087	28.7
760.14417	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	761.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14743	0.8
69.50821	2.8
69.51250	4.2
79.29670	0.8
82.01024	0.9
98.20529	1.7
124.01575	1.1
125.02318	0.9
135.02911	1.5
137.02386	1.8
151.00334	3.6
152.01105	1.0
163.00330	0.9
178.99796	4.2
186.99852	0.9
203.17900	0.9
214.02718	2.9
214.25551	0.8
229.53754	1.0
242.02240	3.0
243.03032	1.4
259.02527	2.6
270.01657	3.8
271.02524	19.4
272.02856	1.6
287.02045	12.5
288.02774	1.2
316.02271	63.5
317.02954	12.7
318.03223	1.4
343.83667	1.0
392.37411	0.9
479.08395	100.0
480.08731	10.3
604.41644	1.2
759.15155	1.0
761.34448	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	761.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40447	0.5
60.67883	0.5
63.96106	1.5
70.88761	1.5
71.01265	8.2
72.56152	0.5
72.99197	0.8
73.02831	2.0
76.90855	0.5
78.98477	8.8
79.95622	14.5
80.96405	87.8
81.03334	0.6
85.02837	4.5
87.00750	3.6
92.85133	0.6
94.97977	20.1
94.98583	1.2
96.95920	1.4
97.02850	2.0
99.00784	0.9
101.02339	3.0
106.97976	4.3
108.86021	0.6
113.02278	0.7
122.97484	5.0
125.02362	3.9
134.07358	0.6
134.97491	5.8
136.99051	1.5
148.99078	8.1
152.98557	7.6
164.98567	14.2
167.00204	0.6
206.99600	3.5
223.13406	1.0
223.59428	0.5
225.00734	26.4
226.00983	0.6
255.23242	2.1
283.04965	0.6
293.69815	0.5
431.89102	0.6
448.85059	0.6
458.83240	0.5
505.17868	3.5
537.27399	1.3
576.00244	0.6
761.41614	100.0
762.42084	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	763.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02286	4.8
65.00199	9.2
69.36710	5.8
70.62675	0.5
80.87621	0.6
81.03345	0.9
83.01287	6.1
107.01296	15.9
109.02866	2.3
119.04882	0.5
123.00809	2.0
125.02360	2.0
133.02881	1.2
133.27147	0.5
135.00826	2.9
143.04922	1.2
151.00304	89.4
152.00604	3.0
153.01924	0.7
157.02942	0.7
159.04498	0.8
163.00340	2.7
169.01398	6.1
171.04407	1.2
173.02272	1.0
175.03983	0.9
177.01797	1.0
178.99814	100.0
180.00189	2.9
187.03935	0.8
190.99861	1.3
198.03021	0.7
198.47906	0.5
199.03922	2.2
199.56023	0.6
201.01913	1.2
203.03516	1.2
215.03503	2.4
219.02988	1.2
227.03551	1.4
229.01422	1.4
231.02992	1.5
231.34897	0.6
243.03009	4.2
247.75421	0.6
255.02937	1.0
259.02423	3.1
271.02524	10.9
272.02652	0.7
287.02029	6.3
299.02011	8.5
300.02713	3.5
301.03497	2.9
315.01520	41.2
316.01941	3.2
317.02936	2.4
323.00192	0.6
331.64377	0.6
445.07706	1.5
447.09421	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	763.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
59.01252	0.7
60.99189	16.3
61.98703	0.4
71.01280	0.3
72.99184	0.3
78.47688	0.1
78.81831	0.1
78.95782	0.1
83.04900	0.2
85.02815	0.2
87.00790	0.8
88.00294	0.8
88.98695	100.0
89.02330	2.5
89.99027	0.9
93.03336	0.1
96.95915	0.4
101.02345	0.4
119.04939	0.2
125.02360	0.5
135.02946	0.3
137.02374	0.3
151.00328	0.2
158.66878	0.1
179.03439	0.1
191.68704	0.1
202.14272	0.1
209.11815	3.0
210.12169	0.4
211.13437	0.3
227.12819	0.5
253.09409	0.3
315.01556	0.2
342.53110	0.2
559.32690	0.4
621.66522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03348	1.1
58.00470	2.3
59.01261	53.9
66.20911	0.6
69.03333	3.1
71.01264	24.3
72.99162	0.9
73.02831	32.7
75.00756	1.3
81.03354	1.0
83.01277	10.5
83.02396	1.6
83.04915	6.7
85.02840	3.6
95.01298	0.7
96.95856	0.9
97.02847	2.1
97.06507	1.4
99.00822	1.0
99.04420	0.7
101.02342	44.0
102.02716	0.7
105.01714	0.6
111.04385	0.7
113.02354	6.3
121.06516	0.9
123.08041	1.0
125.02345	4.7
131.03456	3.4
135.08095	0.8
137.90646	0.6
143.03444	2.5
148.67661	0.7
155.03435	3.7
161.04501	3.5
171.62299	0.6
183.35616	0.6
203.05595	7.1
205.12209	1.2
215.67717	0.7
221.13176	0.7
229.28214	0.9
307.20712	0.9
309.22333	4.8
339.23383	4.0
351.23257	1.0
361.25748	0.8
373.25272	1.1
375.26984	4.2
377.28735	0.7
387.26968	2.0
388.26645	0.6
391.26590	2.5
393.28342	1.0
395.26157	1.4
403.26685	3.3
404.27191	5.8
405.28033	13.5
406.28485	2.2
407.25983	6.0
409.27533	2.4
411.06042	0.6
413.27219	0.8
419.25955	2.8
421.27612	4.1
423.29242	1.5
435.29108	2.2
437.27023	6.7
438.27969	0.7
445.27585	1.1
449.27039	23.7
450.27621	3.2
451.28577	4.4
455.27814	1.2
463.28671	11.3
464.28888	1.9
467.21362	1.4
467.28110	28.1
468.28186	3.1
481.29700	10.2
482.29898	2.2
485.29126	11.4
486.29468	1.7
497.29190	22.1
498.29431	3.1
499.30710	7.3
500.31296	1.9
509.29132	11.6
510.29395	2.0
511.30789	1.1
515.30225	100.0
516.30573	14.9
527.30212	42.8
528.30511	6.7
529.31915	4.4
530.31989	1.0
539.30530	0.9
557.31372	8.8
558.31439	1.6
587.32141	1.8
588.32727	0.8
629.33423	3.2
689.35742	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	763.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01766	3.0
59.01263	42.7
64.34013	2.8
71.01268	33.5
71.21031	2.8
73.02840	21.2
75.00751	12.2
83.01261	9.0
85.02864	7.5
89.02356	2.8
92.56721	2.9
93.64742	2.7
96.82424	2.6
96.95885	8.7
101.02335	32.0
107.01300	3.3
108.14463	3.1
113.02332	8.3
125.02340	12.4
135.02892	8.8
137.02368	3.5
141.41661	2.6
150.01239	2.7
150.03165	6.0
151.00273	12.9
154.09245	2.6
155.03410	4.6
161.04509	4.6
163.03839	3.1
164.77240	2.9
165.05560	3.1
177.01849	3.4
178.99832	8.5
203.05542	5.0
225.11398	3.5
229.04967	2.8
229.39392	3.5
255.03043	4.8
285.04254	3.7
299.01886	3.2
330.07098	3.4
347.24002	4.1
377.25003	5.2
391.26599	5.0
392.27271	19.7
393.27924	6.6
394.03149	3.3
395.04156	4.4
405.17581	9.1
421.05838	6.3
423.29285	30.7
437.26700	6.2
441.30124	6.1
447.09576	7.5
449.26788	7.5
467.28131	12.8
481.29639	8.7
483.05765	9.1
485.28995	5.7
497.29065	21.1
498.29544	5.0
499.30554	4.1
509.29062	11.5
515.30219	100.0
516.30542	16.5
527.30243	41.7
528.30505	7.1
557.30780	6.1
601.08234	4.5
763.13263	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.3
59.01265	40.0
61.98714	2.0
68.15449	0.9
69.03341	3.6
71.01268	22.2
71.04902	2.0
71.58982	1.6
72.99207	2.1
73.02846	13.8
75.00780	1.9
81.03375	1.3
83.01260	3.5
83.04914	6.5
85.02839	2.9
87.00779	1.7
88.98708	3.7
89.02348	3.2
95.01289	1.4
95.04922	1.1
96.95908	12.7
97.02848	2.4
97.06504	3.0
99.00777	1.4
101.02338	13.8
109.02891	2.9
113.02353	6.6
114.63832	1.2
119.04907	1.5
121.02884	1.9
125.02336	8.4
135.02925	3.3
135.04391	3.0
137.02376	3.7
143.03456	1.9
149.02338	1.4
150.03186	2.5
150.54886	1.1
151.00299	3.0
152.01033	1.3
155.03429	2.7
159.86366	1.0
161.02350	1.7
161.04468	2.2
163.03914	1.6
165.05531	2.1
167.03519	1.1
177.01883	1.7
178.99786	2.0
179.03429	1.6
181.05023	1.1
181.77011	1.0
193.05077	1.9
201.11282	1.7
203.05580	5.7
209.11821	18.0
227.12805	8.2
228.13171	1.6
244.87154	1.3
245.04706	1.2
271.02515	4.7
289.94757	1.4
299.02020	7.1
309.22314	2.8
339.23312	4.9
363.23053	1.3
375.27087	2.6
377.28818	1.9
403.26352	4.6
405.28195	8.6
407.25864	7.3
419.26083	2.3
421.27716	7.2
435.29343	1.3
437.26889	2.8
445.27731	1.9
449.27045	30.4
449.33240	2.0
450.27380	4.1
463.28741	15.6
464.28827	2.9
467.28061	12.6
468.28201	1.9
469.29831	2.8
471.31174	6.3
481.29752	12.4
482.30151	1.5
497.29156	11.5
498.29501	2.3
499.30951	1.5
503.16348	1.3
503.24731	2.4
509.29120	18.3
510.29553	3.2
511.30206	1.5
513.32465	1.3
515.30231	100.0
516.30505	15.7
527.30231	88.1
528.30591	16.3
529.32117	6.4
557.31146	13.7
558.31757	2.3
559.33411	1.7
587.32465	1.3
599.32800	1.3
609.01611	1.3
629.33508	1.4
719.36102	1.8
721.31689	1.6
763.29156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.9
59.01264	14.4
60.99181	2.2
61.98709	2.4
71.01266	7.5
72.99178	0.7
73.02835	6.0
75.00748	0.8
83.01284	2.1
85.02854	1.3
88.98710	3.2
89.02339	1.2
96.95901	4.8
98.20673	1.2
101.02340	4.2
104.39617	0.7
113.02373	1.8
116.92766	1.6
125.02356	2.7
127.93688	0.8
128.58124	0.7
135.02940	2.2
137.02361	1.2
139.03941	0.7
147.25397	0.7
149.02388	0.7
150.03159	0.8
158.70111	0.7
165.01965	0.8
165.05446	0.7
193.05084	0.9
209.11725	0.9
220.57854	0.7
359.14990	0.8
377.28818	0.9
385.24124	1.4
405.28253	1.4
407.29544	1.0
422.10751	0.7
423.29202	6.7
424.29642	1.3
435.29013	2.2
439.28690	1.8
449.27039	1.0
451.28568	8.4
452.28702	0.8
453.23822	1.1
453.30203	21.1
454.30460	2.9
463.28668	1.0
465.30313	1.4
467.27835	18.8
468.28342	3.3
469.29706	1.7
481.29639	2.4
493.30212	0.8
495.27588	1.8
499.30722	10.5
500.31329	1.8
509.29160	14.4
510.29449	2.2
511.30591	1.6
515.30212	52.5
516.30396	8.5
541.27844	6.1
542.28961	0.8
557.31232	24.1
558.31567	3.5
559.32855	8.4
560.33435	1.0
659.34991	0.9
671.34369	6.9
672.35138	1.1
677.35486	1.0
719.36652	100.0
720.37000	20.5
763.36206	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	763.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.9
61.98695	0.9
69.03360	0.3
69.17864	0.2
70.27070	0.2
70.77218	0.2
71.01260	1.4
73.02837	0.9
75.00755	0.3
78.95795	1.2
79.95619	2.3
83.01263	0.3
83.85338	0.2
85.02830	0.3
89.02330	0.5
96.95908	100.0
97.95845	0.4
98.02373	0.9
101.02354	1.4
113.02370	0.4
123.04426	0.2
125.02339	1.0
133.02829	0.5
135.02901	0.5
135.04419	0.8
137.02348	0.3
150.03200	0.4
151.00357	0.6
161.04433	0.3
167.03450	0.3
177.01868	0.3
179.03448	0.3
181.36342	0.2
195.00108	0.2
199.03978	0.3
209.11787	1.6
227.12885	0.9
247.23947	0.2
270.05331	0.4
285.07776	0.8
289.07251	0.3
299.02332	0.3
300.10236	0.7
301.03601	0.5
331.11960	0.9
336.07031	0.3
337.39423	0.2
377.24927	0.3
419.26089	0.5
432.13947	0.4
449.27161	0.6
463.25168	0.8
465.26566	0.8
467.28128	0.3
468.82397	0.2
479.28342	0.4
497.29205	0.6
509.29346	0.6
515.30188	3.2
516.30865	0.7
539.30438	0.4
542.35181	0.5
554.93347	0.3
555.19568	0.3
557.31464	0.3
559.34778	0.5
686.98938	0.2
745.28418	0.4
763.36133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	13.8
61.98705	0.7
69.28702	1.4
69.29133	1.3
71.01275	1.9
71.04888	0.7
73.02833	0.4
74.27895	0.2
74.45103	0.2
81.17356	0.3
83.01292	0.3
83.80563	0.2
85.02822	0.5
87.00758	0.3
87.02760	0.2
88.98707	1.5
89.02351	0.3
89.82150	0.2
96.95908	1.8
101.02354	0.8
113.02401	0.2
115.26736	0.2
125.02344	0.5
132.22917	0.2
137.02417	0.2
171.10266	0.3
172.02568	0.2
174.90947	0.3
175.11102	0.3
183.80432	0.3
281.52759	0.3
377.28531	1.1
378.28568	0.3
405.27509	0.3
407.29669	2.5
409.27460	0.5
425.30460	0.6
451.28622	7.8
452.29025	1.1
469.29617	7.9
470.29895	1.1
472.43634	0.3
499.30966	1.4
500.31436	0.3
515.30359	0.4
517.57874	0.3
541.31915	4.1
542.31946	0.7
559.32825	100.0
560.33191	18.0
719.36841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
61.98701	1.6
71.56908	0.7
79.57418	0.6
84.95029	0.8
106.99387	0.6
171.10176	1.4
173.64961	0.5
179.14351	0.6
195.13882	6.2
223.13446	4.1
228.13618	0.8
247.03491	0.6
256.13226	0.9
275.20218	5.7
276.20685	0.5
293.21289	100.0
294.21591	8.5
392.97083	0.6
469.33307	56.8
470.33704	9.2
624.65796	0.6
653.43219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74866	0.4
61.98717	0.8
71.57722	0.9
121.10128	1.0
125.09663	0.8
128.94313	0.4
152.99541	0.5
173.88434	0.4
185.11801	1.6
199.59535	0.5
263.91855	0.5
269.04419	0.4
291.19730	19.6
292.20026	1.9
389.16608	1.1
403.47604	0.5
471.34900	100.0
472.35269	14.8
507.15265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
60.83868	0.1
60.99190	16.6
61.98713	0.2
71.01268	0.4
71.56802	0.2
86.39272	0.1
87.00775	2.3
88.00286	2.3
88.01105	0.3
88.98696	100.0
89.02328	13.6
89.02911	0.3
89.99045	1.0
90.02670	0.3
93.55477	0.1
101.02388	0.2
103.71574	0.1
192.83762	0.2
277.21912	0.4
382.30438	0.2
397.13620	1.1
415.14987	0.3
640.16046	0.2
727.38306	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14106	0.4
59.01274	0.4
60.99189	16.8
61.98705	0.9
66.95218	0.4
71.01232	0.4
81.98235	0.5
87.00745	0.7
88.00294	1.2
88.98695	100.0
89.02334	3.7
89.99017	0.9
115.46957	0.3
118.47807	0.3
192.01413	0.4
223.13368	0.5
329.31445	0.4
397.12994	0.4
765.40887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80472	0.7
55.01772	0.8
57.03329	3.0
58.00473	1.2
59.01263	33.9
61.98717	8.5
67.01756	0.8
69.03335	2.1
69.25802	8.2
71.01268	28.9
72.99189	2.4
73.02833	4.1
75.00749	1.9
81.03348	3.0
81.72147	0.6
83.01281	5.9
83.04903	2.1
85.02837	6.7
87.00764	6.9
88.98698	3.8
89.02335	23.7
90.02708	0.6
95.01301	2.5
95.04893	1.4
96.95914	3.0
97.02838	5.2
97.06484	4.4
98.19846	1.4
99.00774	1.5
101.02338	21.8
106.04131	0.9
107.04939	0.6
108.02117	0.6
109.02849	0.8
109.06522	0.8
111.00796	1.1
111.04430	1.5
113.02348	11.2
113.96297	0.6
119.03421	8.3
119.08533	0.6
121.02805	0.7
121.06473	0.6
123.04448	4.3
123.08044	1.4
125.02350	9.6
125.05910	0.7
125.09618	6.9
127.53456	0.7
131.03403	1.3
133.05034	0.7
135.02914	1.6
135.08093	1.2
137.02345	1.5
137.09659	3.6
141.01949	0.8
141.12804	0.7
143.03401	3.6
149.04527	0.7
149.05969	1.1
149.09689	1.0
151.11227	1.0
151.69194	0.7
159.08061	0.7
161.04491	5.1
163.07640	0.9
163.11243	7.9
165.09073	0.7
165.12784	2.7
167.10768	0.8
169.05121	0.7
171.10129	1.0
177.09392	0.7
177.12833	0.8
179.05548	6.3
179.10690	1.5
181.12308	1.4
185.11769	8.4
191.10736	1.8
191.14372	8.3
207.10237	5.3
209.11803	23.3
210.12175	1.5
211.13431	3.2
217.15991	1.1
221.06647	2.3
225.11348	4.3
227.12953	1.4
227.17998	0.8
235.08223	7.9
237.11360	2.8
245.19124	18.5
246.19456	1.6
253.09308	2.2
263.07816	1.3
263.20123	3.7
271.17041	2.2
281.21225	1.3
287.07721	1.9
289.18149	77.8
290.18442	5.5
305.08841	2.3
307.19208	100.0
308.19553	7.5
309.20837	0.7
323.09735	0.9
325.20160	1.1
397.13562	62.9
398.13998	3.9
415.14648	47.5
416.14990	3.1
501.32214	2.1
513.32355	1.1
561.30499	0.7
607.26294	3.6
687.32654	1.9
705.33661	9.1
706.34045	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	765.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80943	0.4
56.26261	0.4
57.03321	0.4
59.01263	6.7
60.99174	1.3
61.98698	1.4
69.53132	3.6
71.01266	4.8
72.99178	0.8
73.02840	4.7
82.68552	0.4
83.01252	1.6
83.04893	0.8
85.02819	0.8
88.98701	0.5
89.02344	0.6
96.95892	2.0
97.02814	0.6
98.19842	1.0
98.54099	0.5
99.05480	0.4
101.02341	2.0
107.59644	0.5
113.02327	1.0
116.92781	1.4
123.08041	0.4
125.02355	1.2
135.02914	0.5
137.02370	0.9
163.11229	0.8
165.01930	0.5
203.05615	0.7
209.11810	24.8
210.12126	1.2
227.12939	3.2
235.08376	0.5
253.09293	1.2
304.08005	0.5
313.21375	0.5
315.12170	0.5
377.28568	0.6
407.29507	1.5
423.29105	1.7
425.30673	7.4
426.31281	1.1
437.30774	1.7
439.31918	0.6
441.30225	2.1
445.20303	0.6
451.28308	1.1
453.30069	1.8
455.31760	26.2
456.32059	3.0
467.31552	1.2
469.29382	22.4
470.29947	3.3
483.30978	1.2
501.32220	1.5
511.23175	0.9
511.30743	12.8
512.31000	1.7
517.31787	58.7
518.32172	7.6
543.29248	1.0
559.32800	22.4
560.33197	2.9
673.35986	5.8
674.35950	1.1
679.36938	2.2
721.38171	100.0
722.38544	16.7
735.11102	0.5
765.37189	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	765.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.6
59.01263	17.4
69.07245	0.4
71.01269	6.5
71.04909	2.0
72.99194	0.8
73.02839	12.5
75.00751	0.5
83.01296	2.4
85.02849	1.1
97.02836	0.6
101.02352	11.8
113.02354	2.0
114.50300	0.4
125.02352	1.0
127.95924	0.4
131.03403	0.6
141.26880	0.4
143.03433	1.1
155.03436	0.5
161.04482	0.7
176.35614	0.4
190.83655	0.4
203.05711	2.0
294.43164	0.4
311.31253	0.5
375.27393	0.5
377.28445	2.0
391.26385	0.6
397.27798	0.5
405.27963	1.4
407.29715	3.7
409.27594	4.5
410.28015	0.6
421.27341	0.7
423.29169	1.8
425.30881	0.8
439.28214	0.7
451.28638	8.8
452.29062	1.0
465.30246	0.9
469.29654	32.2
470.30017	4.8
483.31299	3.7
484.31772	0.7
487.30579	4.1
488.31091	0.6
499.30814	8.9
500.30524	0.9
501.32388	3.0
511.30783	4.1
512.31439	0.5
517.31799	100.0
518.32172	13.8
529.31824	13.6
530.32104	1.7
531.33185	1.3
543.34021	0.7
559.32788	1.2
560.33740	0.4
631.34448	0.5
691.37457	2.4
692.37897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.8
59.01263	14.0
60.44728	0.3
61.01105	0.3
66.57126	0.3
71.01265	7.6
71.04901	1.8
72.99187	0.8
73.02833	11.4
83.01292	2.3
85.02843	0.8
91.50848	0.3
96.95882	0.3
97.02849	0.7
98.19841	0.9
99.34316	0.4
101.02342	12.8
110.65198	0.3
112.22485	0.3
113.02345	2.4
113.80406	0.3
125.02365	1.5
131.03419	0.7
141.28635	0.4
143.03447	1.1
151.75720	0.3
155.03447	1.1
160.34766	0.3
161.04599	1.6
175.11287	0.3
196.99236	0.3
203.05620	1.7
217.17490	0.3
229.32643	0.5
236.60622	0.3
276.32773	0.3
323.23593	0.4
351.23431	0.4
375.27362	0.4
377.28488	1.6
389.28568	0.4
395.29596	1.0
405.28036	2.0
406.28827	0.4
407.29681	3.7
408.30121	0.3
409.27521	4.4
410.27924	0.4
421.27200	0.5
423.29276	1.5
424.29434	0.5
425.30704	1.2
439.28403	0.7
451.28647	9.9
452.28860	1.2
453.29849	0.7
457.29819	0.5
465.30121	1.2
466.31113	0.4
469.29657	37.1
470.29977	4.9
483.31360	5.0
484.31604	0.7
487.30759	5.1
488.30890	0.6
499.30838	10.8
500.30856	1.5
501.32401	4.1
502.32788	0.5
511.30722	4.7
512.31183	0.7
517.31793	100.0
518.32159	14.3
518.40204	0.4
529.31769	13.5
530.32239	1.8
531.33270	1.2
559.32983	1.3
601.34406	0.5
612.14941	0.4
631.35028	0.9
673.36273	0.4
691.37073	2.9
692.37085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.3
59.01260	24.2
60.74608	1.0
61.98710	4.2
69.03321	1.6
71.01268	14.7
71.04929	2.2
71.56080	1.5
72.99199	2.7
73.02836	6.5
75.00765	3.2
82.41748	1.0
83.01284	4.4
85.02855	3.6
87.00773	1.0
87.25520	0.9
89.02342	2.3
91.59665	1.0
96.95913	18.9
97.02852	1.6
99.00800	1.7
101.02338	9.3
103.11501	0.9
106.53176	1.0
113.02357	4.9
119.04932	1.2
121.02850	2.3
121.06458	1.1
123.04413	1.4
125.02368	5.8
126.79430	0.9
135.02917	3.1
137.02374	1.9
140.95529	0.9
143.03418	1.7
149.02396	0.9
149.06023	1.1
150.03131	1.1
151.00259	1.2
151.03874	0.9
155.03383	1.6
161.04512	2.1
165.05527	1.7
171.13449	1.1
178.99786	2.2
193.01773	0.9
203.05588	4.7
236.49837	1.0
289.07132	1.6
377.28604	4.4
379.30182	4.2
389.28506	1.8
393.27908	1.3
407.29709	29.1
408.29956	3.7
409.27264	1.3
421.27493	2.5
423.29044	13.2
424.29309	2.0
439.28528	8.3
451.28568	16.5
452.29205	1.4
462.21631	1.0
465.30231	8.1
466.31119	1.3
469.29681	11.4
471.31091	2.8
473.33243	1.3
481.29321	1.1
483.31375	10.7
484.31406	1.2
499.30215	1.9
501.32187	3.5
511.30731	18.8
512.30981	3.5
517.31787	100.0
518.32263	15.4
529.31781	68.1
530.32214	9.7
531.33234	2.7
559.32593	5.7
589.33276	1.3
631.35083	1.4
673.21082	1.6
701.26257	1.1
721.37848	2.0
752.47559	1.1
765.34882	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	765.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.1
58.00470	0.9
59.01261	17.2
60.99191	1.1
61.98714	3.8
70.90011	1.9
71.01270	6.5
72.99208	2.0
73.02834	7.4
75.00764	2.3
83.01273	1.7
85.02841	0.8
87.00774	0.9
87.08047	0.9
88.98696	1.2
89.02338	2.0
96.95908	7.3
97.02887	1.0
101.02314	3.7
109.02887	1.3
113.02366	1.8
113.05940	1.1
116.92742	1.0
119.03429	1.3
119.04925	1.0
123.04456	0.9
125.02358	2.7
135.02919	2.8
135.04396	1.3
137.02367	1.6
150.03128	1.2
161.02261	0.9
163.04051	0.8
165.05513	1.0
193.05074	0.8
209.11795	2.7
216.37651	0.8
276.45929	0.8
282.54684	0.8
307.98877	0.8
309.77563	0.8
398.59402	0.8
407.29697	1.6
409.31427	1.2
433.31335	1.0
437.30679	9.5
438.31094	1.2
455.31763	15.4
456.32047	2.3
471.31256	1.3
499.30597	5.3
501.32269	12.0
502.32544	1.4
517.31793	37.4
518.32178	5.2
543.33032	2.8
559.32813	29.1
559.41492	1.6
560.33557	4.7
561.34436	14.9
562.34460	1.4
628.83191	1.1
661.35852	1.4
721.38190	100.0
722.38458	16.8
765.37567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03340	0.7
58.00467	0.9
59.01264	24.9
64.19880	0.6
69.03345	1.2
71.01268	10.8
71.04898	0.8
72.99197	1.2
73.02831	10.9
75.00746	2.0
81.03324	0.8
83.01278	3.5
85.02828	1.6
95.94810	0.6
96.95903	4.7
97.02850	1.4
98.03649	0.6
101.02347	15.4
113.02365	3.5
125.02342	3.4
131.03412	1.9
132.80888	0.5
133.02979	0.6
135.02863	0.8
135.04416	0.7
137.02367	0.8
143.03412	1.4
147.18822	0.6
155.03415	1.4
157.91844	0.6
161.04472	1.7
179.03319	0.6
195.06491	0.7
203.05598	3.0
216.60651	0.6
301.10727	1.1
377.28574	1.5
379.30096	0.8
389.28592	1.0
393.28094	0.8
395.29669	0.6
405.27899	1.0
407.29633	8.0
408.30243	0.8
409.27432	2.2
419.29572	2.6
421.27649	3.2
423.29077	2.0
425.30716	2.8
435.29160	1.0
437.30969	1.3
451.28522	9.7
452.29117	1.6
453.30283	1.6
455.31903	0.7
463.29037	0.6
465.25940	4.6
469.29672	21.1
470.29901	3.4
471.31152	0.8
481.29657	2.3
483.31604	3.2
487.30945	1.0
495.31213	1.6
499.30750	4.6
500.30701	1.5
501.32172	1.7
511.30740	13.1
512.31116	2.1
513.32373	2.9
517.31799	100.0
518.32135	13.5
523.30957	2.3
525.28802	2.2
529.31598	1.8
531.33527	1.4
541.31836	12.8
542.32166	1.9
555.29950	1.4
559.32776	3.6
561.34741	3.0
619.35437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.8
59.01261	12.2
60.99173	1.1
61.98704	2.9
66.85339	0.7
70.16598	3.1
71.01278	5.3
72.99202	1.2
73.02824	7.1
75.00755	1.5
78.95786	0.7
83.01292	1.7
83.05973	0.7
85.02848	1.1
88.98664	0.9
89.02318	1.8
96.95914	5.0
101.02320	3.5
121.02791	0.6
125.02346	1.6
135.02878	2.5
137.02364	2.0
149.06180	0.6
150.03189	1.3
151.03926	0.9
155.07152	0.6
162.13300	0.7
163.03986	1.3
164.67197	0.7
171.10141	0.7
177.01836	0.8
209.11804	0.8
221.04129	0.6
227.12814	0.9
245.56396	0.6
267.11069	0.7
272.42917	0.6
289.07089	0.7
324.77106	0.6
407.29324	0.7
412.10284	0.7
437.30664	8.4
438.31076	1.5
454.31985	0.7
455.31711	15.3
456.31982	2.2
471.31366	0.9
499.30722	3.5
500.30621	0.8
501.32193	4.6
517.31781	34.8
518.31787	5.8
543.33527	1.0
559.32843	28.1
560.33032	5.1
561.34436	6.7
562.34772	1.0
661.36487	1.1
717.30060	0.8
721.38171	100.0
722.38586	21.0
765.38019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.6
61.98726	2.5
69.03327	0.4
71.01266	2.1
71.58018	0.7
72.99199	1.1
73.02816	0.6
75.00754	0.7
76.15114	0.3
80.02552	1.1
81.03337	1.1
83.01279	0.5
83.04916	4.1
84.02058	0.9
85.02843	0.8
87.00796	0.6
88.98688	1.3
89.02340	1.6
96.95920	2.1
101.02355	1.9
113.02355	0.8
121.02922	0.4
125.02333	0.8
125.09576	0.5
133.45328	0.5
135.02888	1.0
135.08051	0.4
151.00264	0.5
152.21434	0.4
161.04504	0.8
163.11269	3.0
165.01900	0.4
165.12772	2.4
171.10237	0.6
179.03532	0.6
179.05484	0.4
181.12308	0.6
191.10661	1.1
192.06682	0.4
209.11813	100.0
210.12166	6.3
227.12885	13.9
228.13210	0.8
235.08170	1.9
253.09337	5.6
290.99536	0.5
327.21603	0.4
344.78116	0.4
368.87717	0.4
445.20944	3.7
637.32318	1.2
724.93518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96538	1.0
58.00489	0.9
59.01263	63.6
61.98726	1.8
69.03353	1.5
71.01270	20.4
71.04923	1.4
71.55827	1.4
71.56184	1.4
73.02836	24.4
75.00751	2.2
81.03340	1.3
83.01267	5.9
83.04929	2.9
85.02859	2.5
89.02327	1.3
95.01401	0.9
96.95891	4.2
97.02844	1.7
97.06477	3.2
99.04404	1.4
101.02348	25.0
113.02364	6.5
119.03423	1.0
123.04456	2.0
125.02379	5.2
131.03429	2.2
135.02936	2.5
135.04471	1.5
136.62508	0.9
142.93008	1.2
143.03412	3.5
150.03175	1.1
155.03409	2.0
161.04485	4.3
163.03967	1.3
165.05463	1.7
195.06638	1.9
203.05630	5.9
209.11809	4.4
227.12843	1.1
238.33102	0.9
354.50851	1.1
377.28690	2.4
389.28546	1.7
405.28278	1.4
406.28711	1.2
407.29639	7.2
408.30090	1.2
417.28107	1.1
423.29138	1.8
451.28714	2.1
455.31671	1.6
465.29785	3.0
469.29514	12.9
470.29926	3.1
471.31116	1.7
473.32748	1.7
483.31180	15.2
484.31494	1.6
487.30521	1.4
497.33002	3.0
499.30606	8.5
500.30966	1.6
501.32339	100.0
502.32596	12.3
511.30627	3.9
515.33923	6.4
517.31769	34.6
518.32324	6.2
529.31616	9.7
530.31781	1.3
538.32922	1.0
543.33569	14.2
544.33777	1.7
559.32867	5.9
561.34454	1.3
573.34332	3.3
585.34290	1.3
691.37280	1.7
721.38007	2.3
765.41022	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	765.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51671	0.6
61.98706	2.2
63.96124	1.9
69.03333	0.6
69.25366	2.7
69.25795	2.6
71.01266	6.6
73.02831	1.6
78.98490	5.7
79.95620	9.7
80.96409	63.9
81.03333	1.1
83.01276	0.7
85.02833	2.2
87.00791	2.8
87.04375	0.5
94.97985	15.0
96.95919	0.7
97.02847	1.5
98.19707	0.8
101.02347	1.9
101.30996	0.5
106.97987	2.1
113.02347	1.0
122.97491	2.9
125.02380	2.9
125.03152	0.5
127.03912	0.6
134.97528	4.5
136.99081	1.0
148.99066	6.4
152.98555	5.7
164.98592	12.7
206.99622	2.8
209.11826	2.1
225.00728	22.7
255.23291	1.6
277.21722	1.1
509.17090	3.5
537.27441	2.2
765.41132	100.0
766.41351	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50477	0.3
59.01276	0.6
63.96119	1.3
68.11297	0.3
69.03346	0.5
70.44961	1.2
71.01266	8.3
73.02825	1.7
76.50707	0.3
78.98483	6.4
79.07903	0.3
79.95621	14.9
80.96407	80.0
81.03347	1.0
83.01264	0.7
87.00769	2.7
94.97984	19.2
95.01275	0.4
96.95934	1.0
97.02861	1.8
98.60667	0.3
99.00777	0.7
101.02345	3.2
106.97984	3.8
113.02373	0.4
119.10638	0.4
122.97485	4.6
125.02370	3.7
127.03918	1.1
134.97496	5.6
136.99120	1.7
139.94025	0.3
146.97522	0.4
148.99091	7.0
152.98569	7.0
152.99695	0.6
164.98578	15.1
165.98813	0.5
167.00117	0.7
182.67821	0.3
206.99680	3.3
209.11827	1.5
214.19662	0.3
225.00740	27.3
226.01083	1.1
255.23283	1.6
277.22006	0.4
283.05023	0.6
352.34860	0.4
409.47006	0.3
509.17035	3.8
511.84531	0.4
537.27759	1.9
538.27899	0.4
765.41144	100.0
766.41498	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46680	0.6
61.98708	1.4
63.83314	0.6
71.56596	0.8
72.47076	0.6
75.00711	0.7
86.62658	0.6
88.98701	2.0
94.26662	0.5
96.95860	0.8
117.02564	1.1
117.03376	19.7
119.04934	7.3
142.10616	0.6
145.02882	100.0
146.03217	4.1
147.98228	0.5
163.03929	6.3
205.93713	0.6
209.11882	2.0
289.18195	2.1
307.19183	1.4
457.29581	8.7
469.33289	1.5
633.38049	69.3
634.38434	14.1
765.42627	7.8
766.42664	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	765.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46680	0.6
61.98708	1.4
63.83314	0.6
71.56596	0.8
72.47076	0.6
75.00711	0.7
86.62658	0.6
88.98701	2.0
94.26662	0.5
96.95860	0.8
117.02564	1.1
117.03376	19.7
119.04934	7.3
142.10616	0.6
145.02882	100.0
146.03217	4.1
147.98228	0.5
163.03929	6.3
205.93713	0.6
209.11882	2.0
289.18195	2.1
307.19183	1.4
457.29581	8.7
469.33289	1.5
633.38049	69.3
634.38434	14.1
765.42627	7.8
766.42664	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	765.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70855	0.4
61.98715	0.8
71.56664	0.7
78.95778	0.4
88.98625	0.5
116.92761	1.2
117.03374	12.0
118.03732	0.6
119.04946	6.8
121.02881	0.5
145.02884	100.0
146.03210	3.9
151.04192	0.4
163.03957	5.9
177.05502	1.7
205.05026	0.8
223.35063	0.5
439.32410	2.3
469.33304	9.3
470.33780	1.5
487.33618	0.6
513.32233	0.7
633.38068	84.7
634.38379	13.7
636.59839	0.5
647.40009	1.0
675.38983	2.5
720.69659	0.4
765.42346	17.6
766.42743	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	765.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59764	0.6
55.74123	0.5
61.21312	0.6
61.98711	0.9
66.34528	0.6
69.24147	5.9
76.12287	0.6
78.95826	0.6
117.03365	14.0
119.04936	6.9
128.68970	0.6
131.04924	0.7
140.66080	0.6
145.02881	100.0
146.03204	4.2
152.99594	0.6
163.03918	4.4
171.10181	0.9
177.05524	1.0
195.13896	1.1
223.13402	2.6
275.20300	0.9
289.18161	0.8
293.21237	1.9
439.32254	2.7
453.33807	2.1
469.33347	10.5
470.33545	1.1
471.35275	8.2
487.80942	0.6
633.38019	76.4
634.38422	14.4
765.42261	41.5
766.42664	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	767.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01257	1.5
62.99877	1.2
63.02286	7.8
65.00209	7.6
69.76307	7.4
74.24078	1.0
75.83457	1.0
81.03349	1.7
82.78032	1.0
83.01268	10.9
85.02848	1.5
95.01278	1.4
95.04922	1.5
99.04351	1.3
107.01291	19.7
109.02885	1.8
121.02891	1.6
123.00816	1.9
124.01531	2.3
125.02357	10.1
131.90092	1.1
135.04463	1.1
137.02373	4.4
139.03963	1.8
140.91438	1.1
147.04436	1.0
149.02426	1.5
151.00298	53.8
151.01532	2.7
151.03940	1.2
152.01099	7.3
153.01746	1.5
161.02313	1.5
163.00301	2.6
164.01003	1.9
165.01889	3.7
167.03423	7.2
169.01395	12.8
173.05984	1.3
175.04027	2.3
177.01862	5.8
178.02275	1.2
178.99811	70.1
179.03368	2.4
180.00146	3.0
181.04909	1.3
185.02347	1.3
187.03981	2.2
189.01920	1.9
190.99759	1.9
191.03438	2.0
193.01381	7.8
198.03209	1.3
199.04005	5.2
201.05650	1.6
203.03424	3.4
211.03955	2.1
213.01913	2.7
214.02724	1.5
215.03438	4.0
216.04080	1.4
217.01411	1.4
219.02930	2.2
223.04140	1.3
225.05663	1.3
226.02689	1.2
227.03477	16.1
228.04080	3.2
229.01437	1.9
229.05095	3.1
230.02136	1.3
231.03012	4.1
239.03545	2.0
241.01334	2.2
241.04918	1.8
242.02141	3.4
243.02972	8.8
244.03571	2.2
245.04506	2.0
251.03529	2.5
254.02492	1.5
255.03003	15.3
256.03613	2.7
257.01086	1.1
257.01971	1.0
257.04514	5.8
258.01608	2.3
259.02460	19.9
260.03293	11.3
261.04034	3.5
267.03027	3.9
269.04453	3.3
270.01691	2.3
271.02576	7.8
272.03305	6.9
273.04056	36.7
274.04575	2.4
275.05637	3.3
276.01904	1.2
277.05179	1.9
279.02939	3.6
280.03677	1.2
281.01025	1.3
281.04340	1.9
283.02496	9.0
284.03082	1.5
285.04095	5.1
287.02045	10.0
288.02802	7.7
289.03519	2.4
293.04523	3.4
295.02475	3.5
296.03305	2.2
297.04041	5.3
298.01184	1.4
299.02090	7.7
300.02670	3.5
301.03488	10.6
303.05093	4.0
307.02606	5.7
309.00381	3.1
310.01038	2.1
311.02036	6.6
311.05542	2.7
312.02728	3.6
313.03473	5.7
315.01501	7.9
315.05222	3.3
316.02261	5.1
317.03122	2.0
321.04047	3.9
323.05750	2.0
324.02603	1.5
325.03546	17.7
326.04120	1.5
328.02368	2.7
329.02942	3.6
333.03976	2.1
339.01257	2.8
345.04111	3.9
347.05695	1.5
349.03601	12.3
351.01544	1.6
359.05838	1.2
363.05118	2.2
365.02798	1.7
367.04507	1.7
373.03421	2.4
379.04608	2.6
391.04688	14.7
392.05133	2.4
395.07758	1.4
417.02441	1.6
419.04218	2.7
423.02972	1.8
435.03754	7.4
436.03995	1.9
437.05075	2.0
477.04593	2.1
483.05591	2.1
495.05576	1.4
577.09875	1.7
587.10352	2.1
599.10675	4.5
602.07050	1.5
615.13324	4.7
620.07764	1.8
621.08887	18.5
622.08704	2.3
629.11566	51.8
630.11755	7.4
639.13019	1.6
641.10492	3.3
683.12457	2.6
723.15790	4.4
731.11804	1.2
749.13666	2.3
767.14740	100.0
768.15021	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	767.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
57.03330	1.7
58.00492	1.0
59.01263	26.7
61.98679	0.4
69.03320	0.6
69.62563	2.9
71.01266	14.8
71.04905	2.2
72.99200	1.6
73.02834	3.9
75.00757	1.0
81.03362	0.5
83.01270	4.8
83.02406	0.6
83.04909	0.5
85.02851	3.7
87.00776	1.6
88.98744	0.5
89.02338	7.4
93.03374	1.0
95.01305	1.3
95.04958	0.6
96.95931	1.1
97.02856	0.8
99.00771	0.8
99.04408	0.7
101.02346	9.8
103.83794	0.4
106.04136	0.5
107.01274	0.6
107.04980	0.4
109.02847	1.0
111.00813	1.0
113.02351	4.8
119.03429	3.2
119.04939	0.7
120.99568	6.4
121.02888	1.6
123.04457	0.7
125.02367	3.4
131.03404	1.1
133.02892	1.2
134.03659	41.3
135.02953	1.0
135.04361	1.6
137.02361	8.4
138.43146	0.4
139.03909	2.2
143.03444	1.0
149.02388	0.8
149.06012	15.1
150.03163	1.4
150.06393	0.6
151.00294	1.9
151.03966	0.7
161.02377	0.7
161.04482	1.8
161.13315	3.1
163.03932	0.9
165.01930	1.3
165.05513	0.4
167.03407	0.8
169.01379	0.4
178.02669	30.1
178.99788	1.6
179.03336	1.8
179.05553	1.4
187.11235	7.7
191.03671	0.4
193.05028	100.0
194.05392	3.7
197.14459	0.5
202.20271	0.4
203.05545	0.6
205.12292	3.2
213.09154	0.5
225.60097	0.4
229.12245	1.1
231.10213	0.8
243.02966	2.4
244.20403	0.5
247.13406	0.6
249.11273	2.1
255.10364	0.5
262.83475	0.4
271.13516	0.8
273.11218	0.4
291.12381	0.8
295.17410	0.4
315.12350	1.0
333.13669	1.1
377.03107	0.7
379.04779	0.6
385.28036	0.5
393.15616	7.8
394.16113	0.7
395.03961	0.8
405.02356	1.0
411.16687	1.0
419.04318	0.6
423.03671	0.6
423.29117	1.1
439.32123	1.2
457.33368	6.1
458.33298	0.6
459.31116	1.7
501.32312	5.7
502.32474	1.2
503.31253	0.8
509.55649	0.5
517.31708	0.8
519.33783	8.7
520.34076	0.8
533.34662	0.7
544.33563	0.5
545.31866	0.6
561.34381	3.4
571.05365	0.5
573.22040	4.7
574.22144	0.6
587.21417	14.0
588.21722	1.5
663.37183	1.0
707.35278	0.5
749.13220	0.9
750.13977	0.5
767.15656	0.7
767.27832	16.8
768.27887	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	767.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48613	0.3
55.01760	0.5
56.58687	0.3
57.03341	0.6
58.00476	0.8
59.01263	16.5
64.59465	0.3
67.07693	0.3
69.03313	0.3
70.56087	1.0
71.01266	11.2
71.04916	0.5
71.20675	0.3
72.18786	0.3
72.99184	1.5
73.02819	2.1
75.00751	0.7
79.05427	0.7
83.01276	3.4
85.02824	2.4
85.14650	0.3
87.00772	0.9
89.02335	6.5
93.03349	0.7
95.01286	0.9
95.04942	0.5
96.95913	0.5
99.00776	1.0
99.04443	0.4
101.02332	6.6
106.04133	0.4
107.04936	0.6
108.95528	0.3
109.02898	0.3
110.40264	0.3
111.00774	0.5
113.02352	3.7
119.03429	2.9
119.04955	0.6
120.05782	0.3
120.99583	3.7
121.02861	1.2
121.06564	0.3
122.00783	0.3
123.04455	0.4
125.02344	2.1
131.03389	0.4
133.02869	1.2
134.03658	36.8
135.02922	0.8
135.04382	1.0
137.02367	7.9
139.03961	2.4
143.03413	1.0
149.02382	0.5
149.06018	12.8
150.03149	1.3
150.06375	0.4
151.00348	0.7
151.03888	0.4
157.06555	0.3
159.04419	0.4
161.02383	0.4
161.04497	1.1
161.09663	0.4
161.13281	3.7
165.01846	1.2
165.05481	0.6
166.02567	0.3
172.08853	0.3
175.03874	0.4
177.01790	0.3
178.02663	28.6
178.99844	1.4
179.03313	2.6
179.05612	1.9
179.06900	0.4
187.11256	8.1
193.05023	100.0
194.05341	4.8
195.06525	0.4
200.57161	0.3
205.12317	2.9
213.09201	0.8
229.12270	1.5
231.10233	1.0
243.02954	1.0
247.13620	0.5
249.11302	2.4
255.10310	0.4
271.13513	0.5
273.11340	0.9
287.13104	0.4
291.12476	0.7
312.02335	0.4
315.12402	2.0
333.13559	1.3
375.14682	0.5
377.03003	0.4
393.15656	8.8
394.15622	0.4
405.02322	0.5
411.16513	0.8
445.02005	0.3
457.33267	1.1
501.32101	1.2
502.32822	0.4
503.30075	0.7
518.32532	0.5
519.33807	4.1
520.33960	0.4
533.34949	0.4
543.22937	0.4
561.34137	0.9
571.04736	0.4
573.21930	4.9
574.22089	1.0
587.21454	16.3
588.21759	2.2
663.35516	0.4
717.27588	0.3
749.14417	0.4
767.27850	17.3
768.28485	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	767.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.8
57.03313	1.1
58.00477	1.1
59.01263	22.0
61.98716	95.5
62.71843	0.8
69.03347	1.3
70.56676	0.8
70.97137	1.4
70.97449	1.2
71.01270	16.9
72.99193	3.3
73.02861	2.7
75.00793	0.9
78.95803	1.1
83.01289	1.5
85.02834	4.4
85.35015	0.8
87.00764	3.4
88.98715	1.5
89.02338	14.2
92.92725	0.9
95.01276	1.0
96.95910	2.3
97.02834	3.4
99.00784	1.2
101.02352	11.5
107.51211	0.9
108.02072	1.0
108.22134	0.8
109.06558	0.8
111.08059	12.3
113.02380	5.0
116.44547	0.8
119.03407	3.8
119.04870	0.9
120.19067	0.8
123.04381	1.3
125.02361	7.0
135.02962	0.9
137.02263	0.9
140.95970	1.0
143.03413	2.7
153.12762	1.1
161.04512	2.4
169.12311	6.0
179.05571	3.6
197.11806	58.7
198.12132	2.5
199.13332	3.6
209.11816	3.2
210.12109	1.4
211.13446	6.7
221.06781	1.5
227.12871	2.6
227.72176	0.8
235.08237	3.9
253.09230	1.0
263.07767	0.9
263.20059	2.4
265.18115	2.1
291.19662	11.9
309.20767	100.0
310.21039	9.0
323.09448	0.9
360.85544	1.1
397.13586	29.1
398.14063	2.1
415.14633	41.4
416.15149	2.0
475.58710	0.9
503.33957	1.4
545.31207	2.7
587.32513	1.0
614.03180	1.0
652.94458	0.9
682.04694	1.1
707.35229	8.2
708.34802	1.8
767.27863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03312	0.2
57.36092	0.2
59.01263	18.1
60.99210	0.3
68.99701	0.6
69.03330	0.6
70.45003	0.6
71.01269	8.9
71.04906	1.6
72.99190	0.6
73.02833	4.7
75.00771	1.1
81.03338	0.6
83.01273	1.7
85.02846	1.7
87.00773	0.6
89.02330	0.8
94.80161	0.3
96.95909	0.5
97.02846	0.9
99.00781	0.6
101.02348	7.4
109.06538	0.2
113.02350	2.9
113.06056	0.2
119.03380	0.3
119.08574	0.3
121.02901	0.3
123.08007	0.3
125.02345	2.2
131.03452	0.4
134.03665	2.1
135.08075	0.3
137.02367	0.5
139.03903	0.3
143.03433	1.4
149.05994	0.9
151.00352	0.3
151.03964	0.3
155.03441	2.2
161.04489	0.8
165.01836	0.3
175.11281	0.5
178.02660	1.3
179.03346	0.4
187.11229	0.4
193.05035	5.5
203.05568	4.1
204.05920	0.5
205.12334	0.8
223.14700	0.3
225.12984	0.2
237.91574	0.2
239.14488	0.3
255.13919	0.9
257.15497	0.5
281.17694	0.4
301.14398	0.3
357.10052	0.2
359.24005	0.4
373.29184	0.4
375.26868	0.6
377.24826	0.4
377.28674	3.9
378.28799	0.4
379.26276	0.3
379.30283	1.2
389.28571	1.8
390.28680	0.4
391.30438	1.7
393.27985	1.0
405.27872	0.7
407.29636	17.0
408.29926	2.5
409.31406	0.3
419.29990	0.3
421.27597	0.9
423.29120	3.6
424.29477	0.6
425.30612	1.2
431.29727	0.6
435.29269	0.8
441.30508	0.6
449.30573	0.9
451.28424	2.3
452.29193	0.6
453.30185	4.2
454.30563	0.5
455.31897	0.4
457.33411	4.6
458.33823	0.6
465.30444	0.5
467.31635	1.3
469.29642	0.5
471.31329	0.9
473.32803	3.3
483.31174	0.7
485.32950	0.6
489.32373	1.8
490.32773	0.3
497.57584	0.3
501.32242	2.8
502.32852	0.6
503.29547	0.5
503.34821	0.3
511.30692	1.7
513.32288	0.4
515.34082	0.9
517.31989	1.0
518.32050	0.8
519.33350	100.0
520.33698	14.4
521.34167	0.4
525.28815	0.6
533.34778	1.8
543.22113	0.3
561.34424	67.1
562.34760	10.3
573.34619	0.4
587.21558	0.8
591.35522	3.1
592.36139	0.4
603.36090	1.1
621.36713	0.4
633.36401	0.3
663.37628	2.8
664.38007	0.8
707.35266	0.7
723.39038	0.6
767.27142	1.1
768.27899	0.5
783.21405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.8
58.00208	0.5
59.01262	22.1
69.44566	5.0
69.44971	1.1
71.01270	9.0
71.04919	6.7
72.99195	0.9
73.02827	9.1
75.00746	1.5
83.01276	2.7
85.02831	1.7
89.02331	1.4
96.95898	1.9
97.02835	0.7
97.93421	0.5
101.01694	1.3
101.02338	13.9
106.93801	0.5
107.37440	0.6
109.02879	0.8
113.02336	2.7
119.04938	1.0
125.02368	2.6
134.03709	0.6
135.02933	0.8
135.04381	0.7
149.04517	0.8
151.00314	1.1
155.03436	1.2
161.04488	1.8
165.05420	0.7
203.05594	0.8
255.02812	0.6
271.02634	1.4
300.02908	1.4
301.03687	1.5
303.21100	0.8
317.22916	0.7
319.24307	2.7
333.22379	2.5
335.23932	1.9
339.97574	0.6
349.21628	0.7
353.24954	1.5
357.25955	0.6
361.25470	1.5
363.23370	3.2
364.23203	0.7
367.26428	0.8
385.27588	6.2
405.26657	1.2
407.29889	0.8
427.28412	3.6
429.26468	2.1
433.07910	2.1
435.29129	0.7
439.28531	2.0
443.28052	1.8
445.29614	1.0
455.31741	29.6
456.31836	5.0
457.33789	1.3
461.29376	0.7
463.08850	0.7
472.28232	0.7
475.34479	1.1
489.28668	1.3
499.30743	0.9
501.32446	4.7
502.32092	1.0
503.33539	1.9
515.34100	1.5
519.33350	100.0
520.33734	14.2
533.34808	2.4
561.34412	29.8
562.34760	3.8
587.21680	1.3
591.35413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
59.01263	15.2
69.03330	0.8
70.33425	1.4
71.01272	5.9
71.04909	11.6
72.99194	0.4
73.02834	5.3
75.00759	1.2
83.01259	1.4
85.02827	0.9
87.00777	0.7
88.15467	0.3
89.02304	0.7
96.95909	0.4
97.02880	0.6
97.06479	0.8
98.19872	0.4
99.04417	0.4
101.02346	5.6
109.02820	0.6
113.02359	1.4
125.02339	2.1
133.78967	0.3
135.02882	0.8
135.04459	0.5
137.02364	0.5
143.03462	0.4
147.13118	0.3
150.03137	1.2
151.00253	0.4
155.03490	0.5
161.04471	0.9
165.01880	0.3
165.05547	0.6
173.85551	0.4
179.03416	0.4
181.74034	0.3
193.05022	0.6
195.06564	1.1
203.05600	1.5
261.15088	0.5
283.06207	0.4
289.19620	0.3
303.21136	0.5
305.22684	2.7
307.20642	0.6
319.20682	0.7
319.24356	9.6
320.24738	1.2
323.23932	2.4
335.23975	1.1
337.25406	0.5
353.24893	1.2
367.26492	0.6
371.25964	18.7
372.26355	3.0
373.27380	0.5
375.27237	0.6
377.24792	0.6
385.27588	4.4
386.27939	0.9
391.26294	1.0
391.30576	0.6
393.28186	0.5
402.24384	0.6
405.26529	15.8
406.26712	2.2
407.29852	0.6
409.27316	0.4
415.25031	1.3
417.26691	0.8
425.30334	0.4
429.26349	0.7
435.29135	1.2
441.30414	1.0
449.25443	1.3
457.33774	4.1
458.33893	0.5
459.31268	3.7
460.31876	0.7
469.29260	0.4
473.32910	4.4
474.33282	0.8
483.31100	0.4
501.32327	22.3
502.32773	4.0
515.33954	2.0
516.34235	0.3
519.33356	100.0
520.33679	16.1
531.33215	0.5
533.34875	4.8
534.35010	0.9
545.31403	0.7
561.34430	48.1
562.34723	8.5
563.32660	0.6
591.35632	0.6
723.37854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01696	0.4
57.03326	0.6
58.00476	0.8
59.01261	15.9
70.98956	0.7
70.99281	1.0
71.01269	7.0
71.04910	11.8
73.02846	4.8
73.43273	0.4
75.00744	1.4
78.28739	0.5
80.99000	0.4
82.55372	0.4
83.01279	2.0
85.02840	1.1
87.00771	0.6
89.02335	0.8
96.95908	0.5
97.02901	0.6
97.06476	0.8
101.02348	5.1
113.02348	1.3
125.02362	1.5
150.03177	1.4
161.04556	0.6
163.03885	0.4
165.05521	0.8
190.43625	0.5
195.06572	0.9
203.05421	1.0
239.36615	0.5
261.15143	0.7
303.21231	0.6
305.22849	3.3
306.23560	0.6
307.20471	0.6
319.24387	7.9
320.24646	1.5
323.23749	2.2
323.53088	0.5
330.19980	0.5
335.24063	0.5
339.23260	0.6
353.24918	1.1
371.25958	19.6
372.26434	2.2
373.28241	0.5
375.26526	0.6
385.27631	5.5
391.26352	1.2
391.30798	0.6
405.26492	15.0
406.26791	2.0
407.29523	0.8
415.24670	0.9
417.26376	0.9
435.29248	1.1
441.30347	0.9
449.25598	1.3
457.33710	4.2
459.31323	3.5
460.31732	0.6
473.32761	5.3
474.33154	1.1
483.31705	0.6
501.32349	22.4
502.32864	2.7
515.34003	2.0
516.34070	0.7
519.33356	100.0
520.33722	13.7
531.33289	0.6
533.34991	4.3
534.34937	0.8
561.34412	46.2
562.34814	7.7
563.32703	0.6
767.28339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22054	0.7
59.01259	14.7
61.39635	0.6
61.98710	2.4
65.87318	0.6
70.77917	1.2
71.01264	3.8
73.02846	1.1
78.95786	0.9
79.95638	1.9
80.25409	0.7
80.96401	14.6
81.95224	0.7
82.95984	4.6
85.02849	1.0
87.00761	0.9
89.02345	2.1
94.97929	2.9
95.98977	0.7
96.97546	0.8
101.02354	2.7
104.17187	0.6
113.02341	1.2
116.91484	0.6
119.03371	0.8
134.97450	0.7
145.04948	0.6
148.99130	0.7
152.98535	1.0
154.98116	0.9
164.98558	2.0
167.14365	0.7
183.13869	5.7
192.70724	0.7
193.12312	1.9
210.79185	0.6
211.13370	100.0
212.13696	4.4
225.00774	2.2
226.01086	1.2
227.00302	1.7
235.08200	3.6
253.09264	6.9
273.41510	0.7
277.21768	80.8
278.22113	6.8
429.21362	1.3
447.22446	6.8
513.30829	1.1
767.41254	24.9
768.41193	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	767.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.4
61.98702	0.9
69.89175	4.2
78.19014	0.9
113.09580	1.0
115.40626	0.8
118.16956	0.8
143.38457	0.8
154.05196	0.9
155.59792	0.8
179.14418	1.0
195.13860	14.1
277.21799	13.4
294.59949	0.9
295.22821	100.0
296.23279	8.0
342.23569	1.0
385.32343	0.8
471.34866	20.1
472.35049	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	768.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41938	0.1
59.01260	0.4
61.98714	100.0
62.98422	0.1
69.64720	0.4
69.65137	0.2
71.01270	0.3
85.75938	0.1
89.02332	0.3
96.95939	0.2
101.02325	0.2
111.08107	0.1
125.02394	0.2
137.02422	0.1
167.63475	0.1
197.11816	0.4
198.12210	0.2
209.11847	0.3
210.12170	0.1
212.13635	0.1
246.42473	0.1
263.84341	0.1
291.19772	0.1
292.20190	0.2
309.20651	0.8
310.21045	0.8
315.01627	0.1
397.13794	0.2
415.14807	0.4
416.14844	0.2
450.71295	0.1
503.33746	0.2
504.34085	0.2
506.93860	0.1
574.06305	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	0.6
57.03314	1.0
59.01257	5.4
61.98711	11.8
63.96121	2.2
69.03347	1.0
71.01265	8.9
71.56301	0.5
71.56718	0.6
72.99194	0.7
73.02816	2.5
78.98476	6.2
79.95615	11.6
80.96403	65.3
81.03348	1.3
83.01289	0.9
85.02836	3.3
87.00746	3.1
94.97975	15.9
95.01259	0.8
96.95885	2.9
97.02832	1.9
99.00775	0.6
99.04419	0.8
101.02327	3.1
106.97992	2.6
109.02843	0.9
113.02331	1.2
113.72006	0.5
116.92754	0.6
119.04946	1.3
121.02859	0.8
122.97516	2.8
123.04439	0.9
125.02359	7.9
126.02710	0.7
127.03909	1.2
134.97525	4.4
135.04469	1.0
136.99060	1.8
137.02367	1.9
148.99069	5.6
151.00351	1.1
151.03915	0.7
152.98549	5.8
161.02394	0.9
163.03917	1.4
164.98569	13.3
165.01843	1.1
167.03419	0.7
177.01868	1.0
178.99953	0.5
179.03458	0.8
183.09842	0.5
188.98535	0.6
199.04013	0.7
206.99660	3.1
209.11787	5.9
225.00740	26.1
226.01036	0.8
245.08307	0.6
289.07251	1.5
354.83286	0.5
436.44186	0.5
459.31641	0.5
504.34039	1.2
505.34656	1.0
509.17197	2.8
529.73096	0.6
541.19635	2.2
547.31409	0.5
599.23615	0.6
725.39453	0.8
737.30267	0.7
769.33295	100.0
770.33661	18.7
783.94464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2005
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
63.02308	0.5
65.00220	0.9
65.70683	0.3
70.49457	1.1
82.75101	0.3
83.01295	0.9
85.02837	0.4
90.36311	0.3
98.33607	0.3
107.01272	1.6
109.02863	1.0
119.04915	0.4
121.02860	1.2
125.02318	0.9
133.02899	0.6
137.02371	0.4
149.02380	0.6
151.00313	7.8
163.00325	0.7
163.03973	0.8
164.01089	0.5
169.01395	1.1
171.04471	0.6
175.00305	1.2
177.01889	1.3
178.69727	0.4
178.99765	2.8
183.04523	0.5
187.03905	0.5
189.01988	0.3
199.03981	2.5
201.01839	0.8
203.03490	0.7
207.05099	0.5
215.03502	1.4
226.02652	0.8
227.03423	2.7
229.05016	0.5
243.03021	4.6
243.74567	0.4
254.02074	0.7
255.03021	4.5
256.03632	0.5
271.02524	54.2
272.02878	4.3
273.04184	0.6
282.01596	0.4
283.02499	0.5
285.03940	0.6
299.02011	100.0
300.02704	36.1
301.03549	45.3
302.03946	3.2
305.06833	0.4
313.03604	1.0
343.04202	0.7
426.29584	0.4
438.45413	0.4
462.08081	15.3
463.08810	8.4
464.09119	0.7
609.14667	40.1
610.14832	5.6
771.20013	85.0
772.20349	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.4
63.02276	0.8
65.00201	2.1
69.48711	0.6
69.49132	1.3
83.01279	1.5
85.02848	0.4
90.99636	0.2
93.03360	0.4
94.76499	0.3
107.01294	4.2
108.02085	0.8
109.02842	1.1
109.72962	0.2
110.05502	0.2
117.01854	0.9
119.05064	0.3
120.05289	0.2
121.02868	3.7
124.01574	0.3
125.02338	0.6
137.02455	0.3
147.00706	0.3
148.01605	0.8
149.02415	0.8
151.00302	20.4
152.00711	0.5
159.04501	0.3
161.02385	0.4
163.00290	1.7
163.03912	0.9
164.01093	0.6
169.01370	1.9
178.99815	10.2
180.00175	0.4
184.79115	0.2
187.03865	0.4
191.01837	0.3
193.01422	0.6
193.05014	0.3
201.05534	0.4
203.03180	0.2
205.05113	0.3
207.04955	1.1
211.03923	0.8
213.69070	0.3
216.04260	0.4
226.02641	0.7
227.03502	1.4
227.05461	0.2
228.04121	0.4
229.05017	0.8
234.33791	0.2
243.02992	5.5
244.03545	0.4
245.04425	1.1
254.02235	1.4
255.03014	14.8
256.03442	1.5
257.04712	0.3
271.02518	35.1
272.03021	3.3
273.04034	1.5
280.66235	0.2
282.47549	0.3
283.02585	0.9
299.02042	2.3
300.02795	75.3
301.03543	63.2
302.03906	4.7
313.03308	0.3
343.04608	0.8
463.08896	11.6
464.09201	1.2
609.14697	100.0
610.15027	14.2
610.25183	0.3
610.78986	0.3
771.20044	3.4
772.19885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59932	0.7
57.07367	0.8
57.46619	0.8
59.01245	2.7
63.02278	2.3
65.00208	4.6
71.01259	3.0
71.27457	1.0
77.74821	0.8
83.01266	3.8
89.02346	1.8
93.03403	0.8
96.95878	0.8
99.85820	0.8
101.02328	1.1
107.01301	9.0
108.02083	1.4
109.02849	1.6
113.02352	1.2
113.57523	0.8
119.03448	0.8
121.02866	7.3
125.02363	2.9
135.00764	1.0
135.02940	1.0
149.02356	1.2
151.00304	42.9
152.00644	0.8
163.00319	2.4
163.72401	0.7
164.01097	1.6
165.01833	0.8
169.01399	2.8
171.04523	1.1
178.99812	21.0
179.01297	1.3
179.05589	1.6
183.04407	1.2
193.01401	1.5
199.04007	2.2
203.03499	1.2
211.03897	1.5
218.31882	0.8
226.02716	0.9
227.03510	4.2
229.05171	0.9
243.03052	13.4
245.04655	2.7
254.02122	1.6
255.03029	23.9
256.03305	2.3
271.02536	52.8
271.27103	0.9
272.02933	4.1
273.04077	2.3
283.02527	1.0
299.02051	20.7
300.02805	90.2
301.03564	100.0
302.03995	6.8
343.04410	1.1
462.08041	2.1
463.08896	42.2
464.09232	5.1
609.14691	91.0
610.15015	13.0
771.20068	56.3
772.20337	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	771.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.0
59.01263	2.0
61.98715	9.6
63.02279	8.5
65.00207	12.6
71.01234	1.2
73.04048	0.5
74.73950	0.5
78.13713	0.5
78.33194	0.5
78.95765	0.7
79.95624	1.5
80.96460	0.5
83.01276	9.9
83.04884	0.6
93.90121	0.6
95.01275	0.6
96.95912	44.3
98.41717	0.5
107.01295	21.8
109.02838	0.8
121.02845	1.6
123.00822	0.9
123.04411	1.4
124.01584	4.7
125.02369	13.5
126.02724	0.7
135.00729	0.7
135.02942	0.7
136.01622	0.6
137.02382	1.5
139.00296	0.7
139.32875	0.5
146.03674	1.3
151.00308	81.5
152.01099	12.7
153.01834	1.2
159.04460	1.3
160.05135	1.0
161.02397	1.1
161.06035	0.6
162.03146	2.0
163.00314	3.5
163.04036	1.3
164.01115	2.9
165.01915	2.5
167.03450	2.6
169.01387	16.8
170.01723	0.8
172.05299	0.7
173.06050	0.9
174.03172	2.0
175.03951	3.3
176.04712	2.2
177.01889	0.8
178.02509	0.6
178.99826	87.2
180.00191	3.7
187.03990	1.4
188.04784	2.5
189.01891	1.8
189.05548	4.9
190.06279	1.2
190.99794	2.2
191.03534	0.8
192.00578	1.6
193.01369	2.1
199.07649	0.6
201.05516	1.0
202.06317	0.9
203.03497	2.3
204.04175	1.2
204.55173	0.5
206.02216	0.6
209.11812	3.3
211.03999	0.7
212.04778	0.6
213.05586	0.9
214.02711	0.6
215.03481	1.6
216.04141	0.8
216.07788	0.6
227.03468	1.7
227.07188	0.7
228.04314	1.6
229.05104	0.6
230.21439	0.8
231.03040	1.3
240.04199	0.9
241.05090	1.0
242.05942	0.6
243.03024	2.5
253.05121	0.6
253.09090	0.7
255.03026	0.7
256.03784	1.0
257.04507	0.6
259.02490	3.2
259.13162	0.6
265.05231	0.8
269.11899	0.7
271.02570	6.1
272.02890	0.6
283.13287	0.6
285.11478	0.9
287.02020	5.7
287.12921	1.2
295.02408	0.6
296.03348	0.6
299.13007	0.7
300.02591	1.4
301.03436	1.1
301.11130	0.6
301.14505	2.0
302.11685	0.7
303.12427	3.4
305.13879	0.6
307.06104	0.9
307.19113	0.8
309.04123	0.6
311.02014	0.7
311.12772	0.9
313.03494	0.7
314.11798	0.7
315.01498	11.8
315.12415	2.0
316.02289	17.1
317.02853	2.0
317.13968	1.5
318.14890	0.8
319.15619	0.7
323.05682	0.7
325.03683	1.6
325.20508	0.7
327.01550	5.7
327.12402	1.0
327.21722	0.7
329.13907	1.8
333.04251	0.7
337.04037	0.6
338.04214	0.9
339.12415	2.1
341.03162	2.7
341.14026	0.8
343.11981	0.6
345.13565	1.0
347.15216	1.0
351.05203	1.3
357.13501	5.5
358.13669	0.6
359.15247	0.8
361.03674	0.9
369.13684	0.6
371.11545	0.6
384.12061	1.0
385.13217	0.8
386.13550	1.0
393.13644	0.8
406.73236	0.6
419.18808	0.8
424.57501	0.5
427.21115	0.7
437.19901	1.2
441.18967	0.7
443.20926	1.1
445.22305	0.9
455.20779	2.6
461.07074	0.6
462.07953	1.6
467.13693	0.9
473.21860	1.2
481.18701	1.7
483.13126	1.2
490.12805	2.1
491.13269	1.1
519.33313	1.0
589.20880	1.9
607.21973	20.1
608.22485	3.3
609.23492	1.1
625.22919	12.3
626.23480	1.9
666.46210	0.6
771.28809	100.0
772.29102	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	771.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.1
59.01261	0.3
61.98716	5.5
66.41619	0.1
71.01254	0.2
75.00743	0.1
78.95782	1.0
79.95625	2.9
80.96416	0.1
85.96803	0.1
94.98003	0.1
96.95911	100.0
97.95830	0.3
97.96376	0.1
98.02373	0.1
101.02326	0.1
104.59341	0.1
109.02835	0.1
123.04515	0.1
124.01513	0.1
125.02357	0.3
130.75487	0.1
135.02913	0.1
137.02341	0.2
151.00330	0.2
165.01817	0.1
177.01900	0.1
178.99876	0.1
209.11824	0.6
253.09329	0.1
265.07681	0.3
301.03635	0.1
457.19312	0.1
483.15808	0.2
574.39581	0.1
609.22827	0.1
618.25720	0.1
771.29749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03329	0.6
58.00483	0.4
59.00958	0.3
59.01259	5.2
61.39552	0.2
61.98714	0.5
65.00216	0.4
69.03345	0.4
70.73667	0.2
70.87975	0.7
70.93055	0.2
71.01270	4.5
71.04892	0.6
71.31454	0.2
72.99193	0.3
73.02834	0.9
78.68766	0.2
80.02557	1.3
81.03344	1.3
83.01299	0.8
83.04914	5.8
84.02061	1.1
85.02845	1.7
87.00771	1.0
89.02323	2.2
95.01286	0.4
95.04929	1.2
96.95908	0.7
97.02856	0.7
97.06483	0.8
99.04422	1.0
99.08031	0.5
101.02340	3.4
106.04094	0.2
107.01278	0.6
108.02082	0.2
109.02857	0.6
109.06508	0.9
111.00777	0.4
111.04403	0.3
111.08028	0.3
112.05190	0.4
113.02359	1.9
115.07549	0.6
119.03394	0.6
121.02821	0.3
123.04405	0.4
123.08096	0.4
124.01582	0.3
125.02348	0.6
125.05995	0.6
125.09636	2.3
127.07571	1.4
127.11163	0.3
131.03412	0.2
135.04417	0.3
135.08092	1.6
137.02380	0.7
137.09657	0.5
139.03876	0.2
139.07544	0.4
141.09161	0.3
145.04996	0.4
147.11743	0.4
151.00331	3.2
152.01060	0.3
153.09146	7.9
154.09485	0.4
155.10724	0.8
161.04547	1.4
161.05782	0.3
161.09618	0.2
163.11234	4.6
165.12773	2.6
169.01384	0.3
171.04520	0.4
171.10216	15.3
172.10571	0.7
175.11284	0.2
178.09970	1.1
178.99829	2.4
179.05632	0.4
179.10736	0.3
181.12354	0.7
183.13795	0.3
185.11818	3.2
187.03946	0.5
191.10777	2.1
191.14365	0.9
193.12373	0.5
197.11806	3.5
199.03970	0.5
201.02014	0.3
201.11288	0.4
203.03514	1.4
207.10257	0.8
209.11818	100.0
210.12169	5.4
211.13387	1.1
214.02760	0.5
215.03479	0.8
217.01398	0.3
221.11839	0.7
225.11369	0.5
227.12885	12.7
228.13132	0.6
231.03047	1.1
235.08221	2.7
236.10664	0.4
237.11307	0.3
237.14972	0.3
238.12132	0.9
239.12889	0.3
242.02420	0.4
243.02928	1.3
245.19090	1.5
247.13562	0.3
253.09285	8.0
253.18103	0.3
254.09529	0.4
255.03131	0.2
259.02548	2.8
263.20096	0.5
271.02524	4.9
279.19690	0.7
287.02023	4.6
288.02408	0.5
289.18149	7.4
290.18512	0.7
297.20758	0.8
299.02029	0.5
300.02792	0.4
307.19208	34.6
308.19507	3.2
309.20612	0.3
315.01526	13.7
316.02237	7.9
317.02936	1.4
317.21338	0.3
325.20242	14.3
326.20764	1.3
327.22168	0.4
333.20453	0.3
335.22379	0.4
345.20795	0.9
363.21878	0.5
381.36725	0.3
407.19131	0.8
445.20749	1.2
446.21539	0.2
461.07346	6.6
462.08121	10.2
463.08749	3.0
474.21167	0.3
525.26996	1.5
535.31885	0.2
543.28241	9.0
544.28583	1.1
561.29193	1.7
562.29431	0.4
581.29779	0.4
591.21741	0.5
609.23663	1.0
625.22968	0.5
629.32208	0.5
666.32733	0.8
684.33887	1.4
685.34064	0.3
710.83331	0.3
717.38995	0.3
727.39783	0.4
735.28033	0.4
735.39746	3.8
736.40051	0.8
753.40674	6.3
754.40912	1.4
771.28906	3.9
771.41846	2.0
772.29932	0.9
772.42432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03321	1.3
59.01264	5.7
61.98719	1.6
65.00198	0.6
65.35317	0.3
69.03328	0.8
70.02509	1.4
70.02914	0.6
70.55307	0.3
71.01259	4.1
71.04904	1.3
73.02837	1.4
80.02547	1.6
81.03345	1.2
83.01286	1.0
83.04913	6.5
83.16029	0.3
83.80943	0.3
84.02066	1.0
85.02843	1.8
85.06501	0.3
87.00775	1.1
87.04394	0.6
88.98680	0.8
89.02333	2.6
93.13913	0.3
95.01223	0.5
95.04937	1.1
96.95892	2.3
97.02848	1.2
97.06503	1.4
101.02351	3.5
101.05948	0.5
107.01290	1.1
107.04906	0.3
109.02861	0.6
109.06498	6.5
111.00768	0.6
111.04405	0.4
113.02351	2.0
115.05404	0.3
115.07546	0.8
119.03394	0.9
121.02834	0.6
123.04424	0.5
125.02372	1.1
125.05988	0.9
125.09631	1.4
127.07558	1.3
129.54372	0.3
135.02914	0.5
135.08061	0.9
136.01534	0.4
137.02359	0.8
137.09651	0.7
139.75072	0.3
143.03493	0.5
143.04935	0.5
145.05023	0.5
149.66827	0.3
151.00319	4.6
151.11177	0.5
152.01045	0.5
153.09148	3.2
155.10664	0.4
159.04506	0.6
161.02411	0.6
161.04506	1.3
163.00317	0.8
163.11252	4.5
164.01109	0.6
165.12819	2.7
169.01350	0.7
169.12299	1.4
171.04468	0.8
171.10220	7.8
173.02432	0.3
174.03159	0.3
175.03929	0.5
177.01892	0.6
178.09911	0.6
178.99849	3.2
179.05557	0.6
181.12347	1.6
183.13858	0.6
185.11784	1.3
187.03931	0.9
191.03394	0.4
191.10713	1.4
191.14308	0.4
193.01471	0.6
193.12318	0.5
197.11801	11.9
198.12074	0.6
199.03943	1.0
199.13358	1.0
201.01917	0.4
201.11378	0.7
203.03514	3.6
207.10222	2.0
209.11815	100.0
210.12154	5.7
211.11481	0.6
211.13380	7.2
212.13586	0.3
214.02689	0.8
215.03519	2.3
217.01411	0.4
223.13339	0.4
225.11320	1.3
227.12889	12.9
228.13159	0.6
231.02992	2.5
235.08214	3.7
235.13359	2.2
237.15010	1.3
238.12123	0.4
241.01399	0.4
242.02081	0.5
243.03021	4.3
245.19170	0.8
249.15031	0.5
253.09320	12.3
254.09697	0.5
258.01636	0.7
259.02530	6.5
260.02988	0.6
270.01846	0.7
271.02518	9.6
272.02884	0.8
286.01010	0.4
287.02048	12.5
288.02451	1.1
289.07169	0.4
289.18176	5.2
291.19775	1.3
297.20746	0.4
299.02106	0.5
300.02802	1.2
301.03491	0.9
307.19205	15.9
308.19617	1.2
309.20834	3.4
314.00885	0.7
315.01535	35.2
316.02234	18.6
317.02957	3.5
325.20267	32.8
326.20544	2.3
327.21826	1.3
329.02966	0.4
345.20969	0.4
407.19199	0.4
445.20850	1.0
461.07333	17.7
461.20676	0.6
462.08090	25.7
463.08759	7.3
464.09320	1.1
525.27216	1.0
543.28180	3.6
544.28510	0.5
561.29449	2.2
607.22260	0.6
609.23340	0.5
625.23059	2.0
626.23236	0.4
666.33069	0.5
684.33643	0.4
735.39899	1.8
753.40576	2.7
771.29022	7.8
771.42090	1.9
772.29376	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	773.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.4
63.02255	0.8
65.00209	1.7
69.50161	5.6
70.68310	0.8
71.01242	0.8
83.01260	2.0
87.00773	0.9
89.02317	1.0
93.03352	1.1
94.12946	1.0
95.01288	0.9
97.08055	0.8
97.51367	0.8
98.21762	0.9
107.01292	3.1
107.04910	1.0
108.02074	2.0
109.02848	4.2
117.01823	1.7
119.04942	17.4
120.05274	1.0
121.02855	3.3
123.00757	0.9
123.04420	1.1
125.02316	4.2
133.02861	2.7
134.03679	1.7
135.02927	1.9
140.29587	0.8
148.01520	1.3
149.02394	0.9
151.00311	14.2
152.00629	1.3
160.51312	0.9
161.02351	1.9
162.00160	0.9
163.00322	2.3
163.03888	1.3
165.01833	0.9
169.01401	2.0
175.03870	1.1
177.01877	5.4
178.99794	9.3
183.04457	1.1
188.01117	1.2
189.01865	2.5
190.02635	1.1
191.03401	1.4
199.03926	1.7
203.03278	1.3
203.07225	0.9
205.01369	1.2
207.05052	1.1
211.03932	3.1
215.03398	1.2
226.02802	1.3
227.03499	3.5
229.05103	2.0
239.03685	1.0
241.05119	1.0
243.03012	11.3
244.03503	1.1
245.04578	1.7
253.05034	2.6
254.02165	2.1
255.03035	20.8
255.05797	1.3
256.03406	1.9
269.04568	4.6
270.01651	1.1
271.02536	51.2
272.02994	5.1
273.04071	1.2
280.03665	0.9
281.04510	3.7
283.02621	9.3
283.05728	1.4
284.02753	1.2
297.04126	6.2
298.04828	1.9
299.02014	17.5
300.02805	100.0
301.03528	46.1
302.03806	3.1
311.01938	2.7
313.03180	1.1
326.04391	26.7
327.05078	11.6
328.05484	1.1
343.04623	1.4
345.04376	0.9
358.94937	0.9
363.08557	1.2
420.08438	2.8
446.06732	1.8
504.37076	0.8
521.20142	1.6
533.19934	1.1
591.98047	0.9
609.14734	85.1
610.15094	12.0
635.16187	16.9
636.16034	2.7
755.18744	3.9
773.19397	54.1
774.19769	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	773.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01314	0.1
59.34620	0.1
60.35432	0.1
61.98708	0.3
70.06964	0.3
71.01269	0.3
78.95795	1.4
79.95626	3.0
94.97965	0.2
95.97501	0.1
96.00858	0.1
96.95911	100.0
97.91568	0.1
97.95849	0.4
98.02412	0.4
98.20433	0.1
105.86382	0.1
125.02321	0.1
131.43338	0.1
168.36781	0.1
171.10236	0.3
185.64462	0.1
207.10269	0.1
209.11928	0.1
211.13324	0.1
225.11389	0.1
253.09370	0.1
293.21179	0.1
340.51474	0.1
397.26401	0.1
435.08194	0.2
453.09576	0.2
713.30505	0.1
773.42877	0.1
774.37183	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23825	0.1
59.01266	0.1
60.04364	0.1
61.98709	0.3
70.78973	0.1
71.01251	0.1
71.56873	0.2
78.95785	1.6
79.95620	2.6
90.70609	0.1
96.95907	100.0
97.95845	0.4
114.10525	0.1
152.99551	0.1
176.52559	0.1
209.11850	0.3
227.32031	0.1
293.21301	0.1
314.70947	0.1
315.01505	0.1
435.08322	0.1
453.09485	0.2
487.34131	0.1
713.30975	0.3
773.42078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.9
59.01260	12.6
61.98716	17.4
65.00200	2.9
71.01250	7.7
71.21651	2.2
73.02855	2.7
75.00762	3.1
78.95786	3.2
83.04939	2.8
85.02850	3.6
89.02349	2.6
96.95903	33.2
98.19824	4.3
98.95480	6.0
101.02335	4.5
113.02344	3.4
116.92770	3.7
125.02328	11.1
135.02945	6.6
137.02348	7.0
151.00302	9.9
152.01137	2.5
161.02336	3.3
161.04553	3.6
163.00320	2.7
164.13583	2.5
165.01823	4.7
165.12723	2.4
171.10152	6.1
178.99771	7.8
192.03772	2.8
199.13332	2.8
209.11804	100.0
210.12036	6.3
211.13435	3.3
218.15445	2.9
227.12848	28.2
229.14551	3.7
235.08186	5.5
243.03070	4.3
253.09225	7.5
255.02905	3.1
271.02484	9.7
287.02008	5.5
289.07214	5.2
291.44846	2.9
299.01892	7.0
300.02792	4.7
301.03415	3.9
315.01453	12.6
316.02191	7.9
327.21793	15.0
445.20688	10.1
462.08133	10.4
463.21927	4.9
633.51605	2.7
637.31134	5.6
647.71063	3.0
673.33777	3.4
773.40063	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
55.39008	0.2
55.39800	0.3
57.03331	1.5
58.00461	0.3
59.01262	12.2
59.24610	0.2
59.27991	0.2
61.98704	0.3
67.01208	0.3
68.52428	0.2
69.03342	1.7
71.01266	5.1
71.04908	0.3
72.99201	0.6
73.02828	1.2
75.00763	0.3
80.02560	1.2
81.03342	1.2
83.01276	0.7
83.04915	4.3
84.02054	1.1
85.02841	6.2
87.00764	0.8
89.02337	3.1
91.03889	0.4
95.01288	0.6
95.04926	1.2
96.95903	2.3
97.02842	1.1
97.06475	1.3
98.19853	0.7
99.00732	0.3
99.04423	2.2
99.87135	0.3
101.02350	4.5
101.05984	3.7
107.01209	0.3
107.04887	0.3
109.02846	0.3
113.02346	2.5
116.92744	0.7
119.03406	1.1
121.02863	2.6
122.03255	0.5
123.08060	0.4
125.02325	0.9
125.05992	0.4
125.09634	0.5
127.07521	0.3
127.11201	0.8
131.03467	0.3
133.05034	0.5
135.08093	0.7
137.02328	0.3
137.09645	1.8
140.66212	0.2
143.03436	0.6
145.04971	0.5
145.48676	0.3
147.11688	0.3
151.00299	1.0
155.10725	0.6
155.14348	0.4
161.02516	0.3
161.04510	1.9
163.11252	3.8
164.11548	0.3
165.12746	2.9
171.10216	17.7
172.10556	1.0
177.12772	0.3
178.99843	0.8
179.05562	0.5
181.12279	0.6
183.13863	1.3
185.11790	0.9
191.10736	1.0
193.12267	0.5
197.11882	0.5
201.11311	0.9
203.10764	0.3
209.11809	100.0
210.12157	5.0
211.13374	6.9
212.13753	0.5
221.11823	1.2
227.03548	0.3
227.12889	12.0
228.13199	0.4
229.14452	6.0
230.14775	0.4
234.40173	0.4
235.08229	8.5
236.08559	0.4
239.12906	0.9
244.03481	0.3
247.20784	0.3
253.09323	18.4
254.09610	0.6
271.02536	1.7
272.55206	0.3
287.01941	0.4
291.19684	2.5
298.85245	0.3
299.02014	1.2
300.02707	1.5
301.03564	0.5
307.19122	0.6
309.20798	7.8
310.21075	0.5
315.01529	0.7
316.02243	0.6
317.02515	0.3
325.20215	0.9
327.21820	57.6
328.22192	4.9
445.20877	2.0
447.09207	0.8
462.08148	1.1
463.08633	0.3
519.33228	1.3
537.34119	0.5
545.29742	1.5
563.30811	3.0
611.24500	0.4
773.29681	3.2
773.41541	0.3
774.30121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78316	0.4
57.03339	0.4
59.01256	2.4
68.99745	0.4
69.73003	2.3
71.01260	2.3
73.02852	0.3
74.86691	0.3
75.00770	0.9
83.01269	0.5
85.02853	1.1
89.02345	1.2
93.03342	3.2
95.01234	0.5
96.95904	2.6
101.02341	0.8
105.03336	0.7
107.04935	0.4
108.02074	0.5
109.02868	1.9
113.02352	0.6
119.03379	0.5
119.04922	0.8
121.02867	3.8
121.18876	0.3
122.03651	11.8
123.00800	0.9
123.04416	1.2
124.01580	1.0
125.02376	3.5
133.02873	3.0
134.03682	0.8
135.02928	1.1
135.04451	1.1
136.01573	1.5
137.02390	4.0
139.00179	0.4
139.03911	0.8
147.88351	0.4
149.02376	16.4
149.06055	0.5
150.03163	84.3
151.00310	5.1
151.03552	2.6
152.01015	0.7
152.04710	0.8
153.01860	0.6
161.02409	1.1
162.03154	0.7
163.00359	0.5
163.03932	0.8
164.04759	2.9
165.01857	1.9
165.05522	100.0
166.02664	16.7
166.05827	4.0
167.03369	1.4
175.03957	1.1
177.01909	3.0
177.05423	0.5
178.02711	0.7
178.99785	0.4
179.03435	1.2
179.05696	0.4
179.07071	0.5
180.04233	6.4
181.05029	20.0
182.05377	0.6
187.03983	0.9
189.05595	0.4
190.02705	0.4
190.06319	0.6
191.03520	0.5
192.04239	0.4
193.04938	0.5
195.06601	88.3
196.06921	4.0
205.03299	0.4
205.05006	2.1
205.08662	0.6
206.05775	0.4
207.06578	0.5
220.07355	1.0
221.08298	0.6
225.07539	0.4
271.02420	0.9
271.10892	0.5
289.07257	1.6
299.02060	0.5
300.03128	0.5
301.03278	0.6
357.09711	0.6
372.12012	1.2
387.09921	2.9
387.14996	6.4
388.15198	0.8
399.14777	0.6
402.13214	2.3
403.14026	0.5
407.07553	0.4
417.15622	27.9
418.15948	3.3
467.17255	0.8
565.20837	3.1
566.21033	0.5
583.21820	1.2
595.21802	0.5
613.23077	22.0
614.23401	3.2
625.24786	0.7
686.25543	0.4
775.26538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.3
67.01812	0.8
70.95916	1.3
71.01279	1.0
72.99203	0.7
81.03392	0.7
83.01291	0.9
85.02872	0.8
88.98725	0.8
89.02377	1.0
93.03359	4.0
95.01308	1.0
95.04929	1.2
96.95897	3.7
101.02374	0.6
107.04940	0.8
109.02879	5.0
119.04931	0.9
121.02857	5.3
122.03676	13.3
123.00822	1.6
123.04452	2.2
124.01604	2.1
125.02355	3.8
131.04985	0.6
132.02136	0.9
133.02905	3.8
134.03667	1.7
135.02914	1.1
135.04460	1.8
136.01595	1.2
137.02373	15.0
137.03433	0.8
137.04932	0.6
137.05972	0.8
139.00275	0.7
139.03937	1.0
145.02977	0.7
147.04556	0.8
149.02382	26.5
149.06010	1.3
150.03166	96.6
151.00302	11.0
151.03935	5.4
152.01088	1.8
152.04724	4.2
153.01917	0.8
153.05547	0.9
157.06622	0.6
159.04457	2.0
161.02397	1.8
162.03151	1.3
163.03908	1.1
164.00888	0.6
164.04745	6.8
164.49710	0.5
165.01897	1.8
165.05524	100.0
166.02672	33.2
166.05794	4.8
167.03455	3.2
175.03944	2.9
176.04744	0.7
177.01906	2.5
177.05554	2.8
178.02650	1.7
179.03453	2.0
179.07092	0.9
180.04239	7.6
181.05029	44.3
182.05415	1.0
184.03731	2.3
187.04057	3.2
190.02673	0.8
190.06276	1.4
191.03502	1.0
191.07021	0.8
192.04228	1.1
193.05051	2.6
195.06604	60.2
196.06976	2.3
201.01999	0.6
203.03384	1.0
204.04330	0.7
205.05063	7.3
205.08780	0.7
206.05704	1.0
207.06619	1.3
219.06531	1.0
220.07401	7.0
221.08226	1.0
235.09787	0.8
255.03014	1.1
282.05219	0.8
283.02307	0.8
289.07303	1.4
301.03534	1.1
315.08759	1.9
325.07095	0.8
329.10330	2.0
339.08905	1.3
341.10291	0.6
354.11154	0.8
357.09726	1.0
359.11334	0.9
372.12167	1.5
385.12820	0.9
386.13879	1.7
387.10080	5.5
387.15134	8.0
399.14459	0.7
402.13202	5.2
403.13864	2.1
407.07892	1.0
415.13977	1.7
416.14761	3.1
417.15631	60.7
418.15848	5.3
447.09299	0.7
467.17068	0.8
505.15689	0.6
520.17499	0.9
535.16632	2.4
536.17078	0.8
547.19910	0.8
550.18243	1.8
565.20905	64.7
566.21240	9.5
583.21558	2.3
595.22131	4.2
613.23035	54.0
614.23291	8.8
665.18939	0.8
775.31079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.1
61.40057	0.1
64.80951	0.1
69.24667	0.2
69.25094	0.5
71.01263	0.1
78.95793	1.0
79.95624	2.5
81.99178	0.1
83.02383	0.1
96.95911	100.0
97.03963	0.1
97.95831	0.4
98.02378	0.5
109.02891	0.1
119.04923	0.1
125.02323	0.1
135.02916	0.1
135.04404	0.1
150.03207	0.1
151.00226	0.1
159.18901	0.1
161.02356	0.1
165.01953	0.1
165.05437	0.1
179.03464	0.1
193.05191	0.1
195.06615	0.1
229.05084	0.1
316.17642	0.1
401.03165	0.1
419.04242	0.1
429.31976	0.1
463.03238	0.1
495.05823	0.1
502.04550	0.1
599.95197	0.1
716.50873	0.2
775.47485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02280	1.2
63.72029	0.4
65.00226	0.9
69.82661	0.7
69.83079	1.5
83.01290	0.6
98.19895	0.7
99.86445	0.3
107.01304	1.0
109.02851	0.4
115.05440	0.6
117.03313	0.4
123.00771	0.4
125.02398	2.0
125.52090	0.4
131.04958	0.5
135.00815	0.9
143.04944	1.6
145.02826	0.8
147.04498	0.4
149.02386	1.2
151.00288	2.6
159.04437	2.0
161.02437	0.5
163.00276	1.1
169.02946	0.4
171.04474	1.6
173.02415	1.3
175.03944	0.7
178.99805	1.3
179.13080	0.3
186.03166	0.3
187.03992	3.1
189.01935	0.7
191.03375	0.8
197.02385	0.8
199.03920	0.8
201.01927	0.5
203.03477	3.4
204.03827	0.4
207.86241	0.4
213.01909	3.3
214.02591	0.9
215.03505	3.8
217.01428	0.8
219.02954	0.5
231.02998	2.8
231.69611	0.4
241.01428	2.4
242.02213	1.9
243.02995	4.6
257.00906	0.4
258.01773	0.5
259.02505	7.9
260.02902	0.5
271.02515	4.3
272.02942	0.4
287.02023	43.0
288.02414	3.2
300.29276	0.4
315.01517	100.0
316.02063	13.6
316.36493	0.5
317.02850	1.4
424.96567	0.3
463.08911	11.3
464.09100	0.6
465.86160	0.4
644.38141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90608	0.5
58.20520	0.6
59.01251	0.9
63.02280	4.0
65.00201	9.0
68.17744	0.5
68.69353	0.5
83.01279	6.3
92.17901	0.5
95.01278	0.8
96.95914	3.6
107.01289	16.1
123.00802	1.0
125.02387	1.1
126.95551	0.6
133.02879	0.8
135.00810	1.2
142.83069	0.6
151.00301	96.6
152.00641	2.9
163.00281	1.3
166.85567	0.6
169.01363	3.2
172.51646	0.6
177.01929	0.8
178.99815	100.0
180.00186	4.2
199.03979	1.0
203.03418	0.7
215.03543	0.9
227.03493	1.0
229.01527	1.0
243.03067	3.3
255.03030	1.5
259.02435	1.1
271.02512	9.3
277.05316	0.7
287.01846	3.0
289.07208	0.7
299.02066	3.3
300.02826	8.2
301.03561	2.8
315.01544	31.3
316.01974	2.9
417.02597	1.5
463.08911	10.1
464.08975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01264	26.1
60.62737	0.4
61.98707	0.6
61.99560	0.4
69.03344	2.4
70.95056	0.6
70.95367	0.5
71.01261	4.1
71.04905	0.9
73.02832	0.9
78.95800	1.8
80.96416	0.5
83.04932	0.7
85.02837	1.1
85.06468	0.6
87.49848	0.4
89.02326	2.5
95.04943	0.8
96.96883	0.6
101.02343	3.6
109.06483	0.9
111.08112	0.4
113.02335	2.2
115.03883	0.5
116.92806	0.5
119.03391	1.0
125.09601	0.5
127.07615	0.5
143.03442	0.6
149.09619	0.9
161.04500	1.6
161.13248	0.4
162.98895	0.4
167.10715	3.0
170.19040	0.4
177.12799	0.9
179.05565	1.1
179.10709	0.9
179.14362	3.6
181.12207	0.6
195.13882	10.8
200.99022	0.4
205.12329	10.2
206.12685	0.5
207.10243	0.7
223.13391	100.0
224.13719	4.2
225.11186	1.0
235.08258	4.4
241.01259	1.2
253.09277	8.2
255.23306	0.8
259.20898	0.5
277.21771	91.1
278.22122	5.8
389.46573	0.4
414.95895	0.4
441.21277	2.9
459.22452	13.2
460.22986	1.4
462.37527	0.4
475.71423	0.4
497.37766	0.4
509.89349	0.5
513.30823	1.2
719.44019	3.5
779.40741	2.1
780.40521	0.8
781.13971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
61.98703	0.2
62.16231	0.2
71.48655	0.4
78.95773	0.2
93.71880	0.2
95.04913	0.2
97.06485	0.2
109.06522	0.3
111.23831	0.2
119.04887	0.2
125.05989	0.5
148.08844	0.7
150.10434	0.7
151.11249	0.2
163.11197	0.7
165.12794	17.0
166.13116	0.9
175.11290	0.6
176.11945	0.2
177.12805	0.3
179.14323	0.3
191.14354	0.5
213.30966	0.2
214.14735	0.2
217.16029	0.3
247.20697	8.8
248.20984	0.7
273.18661	4.6
274.19049	0.3
277.58157	0.2
291.19702	100.0
292.20035	9.2
293.21451	0.3
297.92004	0.3
390.65021	0.3
487.34369	3.5
488.34833	0.3
558.53937	0.3
802.17291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01268	0.4
71.57991	0.4
78.95773	0.6
85.50550	0.3
88.98618	0.2
93.06993	0.6
96.95915	1.0
97.06506	0.5
97.69030	0.3
113.04018	0.2
121.10151	6.4
122.10485	0.2
123.08092	0.6
125.02408	0.4
125.09622	4.3
127.11162	0.3
141.12747	0.7
145.46815	0.3
147.08078	0.4
152.99521	0.4
163.11252	0.5
165.12790	0.4
171.10156	0.3
178.62976	0.3
185.11800	9.5
186.12155	0.5
192.73820	0.3
197.11778	2.4
209.11789	0.9
211.13452	1.4
223.13377	1.0
247.13495	0.4
247.20702	1.0
273.18570	1.4
289.07150	0.3
289.18204	0.5
291.19727	100.0
292.20084	8.6
293.20535	0.4
308.75018	0.2
324.95261	0.3
350.21771	0.3
485.32971	1.1
486.33044	1.7
487.33792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.6
57.03335	0.8
58.00465	1.3
59.01262	100.0
60.01596	0.8
61.36878	0.4
61.73629	0.4
64.83306	0.4
69.03338	2.0
69.37654	2.4
69.38079	1.2
71.01266	48.2
72.01630	0.6
72.99191	2.4
73.02832	59.4
73.06393	0.4
74.03179	0.8
75.00766	1.6
81.03351	0.8
83.01273	17.5
85.02834	5.7
87.00748	1.2
89.02328	8.9
95.01280	1.4
96.95890	1.1
97.02869	1.0
99.00773	1.0
101.02342	50.6
102.02689	0.8
113.02348	15.8
114.02724	0.4
119.03412	4.6
125.02379	2.9
131.03433	5.5
135.02882	0.6
143.03444	5.6
149.04486	9.4
151.00227	0.4
155.03409	1.5
161.04503	14.0
191.05518	0.5
197.04488	1.0
203.05576	3.0
221.06641	4.8
326.79306	0.5
382.99487	0.3
391.10046	0.5
393.11624	0.4
437.26807	1.0
455.27737	1.6
467.28143	4.4
468.28339	0.6
480.35736	0.5
485.29175	8.1
486.29025	1.3
533.23883	0.5
533.31403	8.6
534.31348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
58.00464	1.0
59.01265	73.2
60.01589	1.3
61.98708	1.9
68.99688	1.1
69.03332	2.4
69.60057	0.8
69.60457	4.1
71.01271	14.0
71.04890	0.8
72.99200	1.1
73.02838	7.5
73.74331	0.6
75.00760	1.8
81.03368	1.3
83.01287	3.5
83.04915	4.6
85.02830	2.7
89.02342	1.0
96.95921	6.5
97.02853	2.0
97.06480	1.8
98.20525	1.2
98.95493	2.2
99.00768	1.4
101.02354	15.7
109.02843	1.1
111.04430	1.1
113.02355	4.8
116.92741	2.6
117.01871	0.7
117.03288	0.6
118.77148	0.6
119.03374	0.7
119.04943	2.1
121.02840	1.2
123.04396	1.0
125.02367	4.2
131.03424	0.9
133.02901	0.9
134.03661	0.9
135.02945	0.8
135.04396	1.4
135.44281	0.6
137.02335	1.6
143.03427	2.8
149.02367	3.1
150.03180	4.2
151.00299	0.7
151.03905	2.0
155.03415	2.4
161.04475	1.8
163.03999	0.9
165.01941	1.1
165.05515	5.3
179.03543	0.6
195.06633	3.1
197.35716	0.7
200.41676	0.7
203.05617	5.9
211.13422	0.6
255.06602	0.7
275.09320	1.2
285.07736	0.8
286.08344	0.6
289.07083	0.8
301.03647	1.2
301.10684	1.0
331.11978	0.9
331.24207	0.7
333.06308	1.1
345.15488	1.4
371.27707	0.8
387.14554	0.9
389.28604	0.9
391.26526	2.2
394.68622	0.6
405.28073	1.7
407.29431	1.9
409.27505	2.8
421.27481	2.1
423.29514	0.9
433.27286	1.6
451.28552	4.5
452.28656	0.7
453.30249	0.9
467.28152	1.8
468.28433	1.2
469.29578	2.8
471.31284	2.4
473.32706	0.8
485.29160	2.0
487.29980	0.9
499.30728	10.2
500.31100	2.3
503.33847	1.1
513.32117	1.5
515.30353	5.1
516.30719	2.2
517.31805	100.0
518.32147	17.4
519.33514	0.9
527.29956	1.6
529.30756	1.4
531.33386	2.8
533.31171	9.7
534.31708	1.9
535.19928	2.3
559.32855	52.5
560.33289	8.6
575.32416	2.4
583.21997	4.9
584.22491	1.0
589.33862	5.0
590.34656	1.1
601.33862	0.7
619.34918	1.1
631.34985	0.9
661.36200	2.6
721.39368	0.6
737.37555	6.7
738.38104	1.6
781.40833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01263	86.1
60.01581	1.1
62.39342	0.6
64.49152	0.7
69.03336	1.4
71.01275	7.8
71.04897	0.8
71.57656	1.0
72.99192	1.6
73.02838	5.1
75.00751	2.4
83.01263	2.2
85.02853	2.1
87.00771	1.0
89.02329	2.0
90.10350	0.8
93.03363	1.2
95.04895	0.7
96.95924	7.6
97.02856	1.2
99.00767	1.0
101.02341	7.0
104.63425	0.7
109.02886	0.8
113.02340	2.2
116.92770	1.1
118.58193	0.7
119.03399	1.0
119.04934	6.2
121.02867	2.6
122.03640	2.4
123.04433	1.0
125.02365	3.6
131.03523	0.8
132.71913	0.7
133.02867	1.3
134.03630	0.7
135.02951	5.0
135.04460	2.8
137.02351	2.1
139.03923	0.8
143.03452	0.8
145.02870	0.9
147.04446	0.9
149.02370	6.6
150.03177	16.7
151.00307	0.7
151.03841	2.3
155.03476	1.1
161.02379	1.7
161.04459	0.9
163.03973	3.7
164.04718	2.1
165.01823	1.7
165.05513	14.8
166.05925	0.7
167.03491	1.1
175.03995	1.4
178.02594	0.9
179.03410	0.9
180.04211	1.4
181.05020	1.7
193.05072	0.7
195.06570	11.2
196.07109	1.2
203.05551	1.8
211.09825	1.6
223.09770	0.8
267.06793	0.8
269.08295	1.2
270.06073	0.7
270.08908	1.8
271.09497	0.9
285.11456	2.2
289.07202	1.0
298.08496	1.9
299.09256	1.9
311.09137	1.4
313.07309	0.8
313.10931	2.7
314.07993	2.1
323.18417	1.5
325.10852	1.0
328.09476	3.0
329.10263	5.7
330.10989	1.0
341.10263	5.4
342.11017	0.9
343.11917	11.9
344.12607	9.1
345.13315	2.8
356.12790	2.8
357.13425	1.5
358.14249	2.7
359.15045	19.7
360.15479	2.2
371.15073	11.1
372.15054	1.4
391.13831	0.9
395.28867	0.9
397.13632	0.9
407.29599	2.7
409.27463	3.3
421.27771	1.3
423.29053	0.8
425.30621	1.9
437.30518	0.9
451.28580	5.1
469.29810	5.7
470.29956	0.9
481.29892	1.4
483.31390	1.1
487.30481	1.2
495.31396	1.3
499.30771	11.1
500.31097	1.6
511.30682	4.7
513.32361	1.5
514.15546	0.8
517.31805	100.0
518.32098	15.7
529.32324	0.8
533.31110	1.7
541.31677	4.1
559.32855	1.9
560.33191	1.0
703.27295	1.3
721.38251	0.9
733.28638	7.9
734.29712	1.8
781.26636	2.8
781.40234	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	781.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09687	0.3
56.29144	0.4
57.03321	0.4
58.00456	0.5
59.01263	40.5
61.98710	1.3
63.13519	0.4
65.38427	0.3
71.01265	2.6
71.04969	1.2
72.63223	0.5
72.99175	0.7
73.02821	0.7
75.00755	0.9
85.02823	0.9
87.00736	0.5
88.98697	2.1
89.02319	1.4
96.95914	2.0
101.02334	2.1
102.45520	0.4
109.02810	0.4
113.02322	1.4
116.92720	0.5
118.84046	0.4
119.03410	1.1
119.04964	0.8
123.04475	0.5
125.02363	1.6
134.03654	0.5
135.02950	1.8
135.04407	0.5
137.02382	0.7
150.03197	0.6
161.02444	0.5
165.05493	0.4
179.03397	0.5
179.05580	0.7
195.06616	0.4
209.11897	0.4
221.06491	0.5
227.80931	0.5
258.24588	0.4
377.28589	0.9
407.29550	1.7
438.56049	0.4
444.74603	0.4
451.28668	5.2
452.28851	0.8
469.29675	17.1
470.23669	0.4
470.30011	3.0
499.30460	1.0
531.52142	0.4
541.31866	4.7
542.32050	0.8
559.32843	100.0
560.33173	18.8
631.35040	0.5
691.36145	0.4
781.40247	1.4
805.05157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71353	0.7
57.70864	0.6
57.88449	0.6
59.01242	0.7
59.97808	0.8
61.98698	1.6
68.73395	0.6
70.87309	0.7
70.87640	1.4
71.01267	3.8
78.95794	55.5
78.98470	2.7
79.95629	6.9
80.02572	1.4
80.96407	34.4
81.03333	1.7
81.28403	0.6
83.04905	5.5
84.02068	1.3
85.02853	1.6
87.00771	1.2
94.97984	8.0
96.96285	0.8
96.96865	14.3
97.06506	0.6
101.02352	1.1
101.50280	0.6
106.97987	1.0
122.97491	1.8
125.02379	1.8
134.97481	2.8
135.08023	0.7
148.99060	2.9
152.98505	2.0
152.99513	11.2
163.11208	4.1
164.98582	6.1
165.12770	2.3
177.91689	0.6
181.12289	1.1
191.10725	1.5
205.24995	0.6
206.99658	1.3
209.11823	47.3
210.12134	2.3
214.88188	0.7
223.00169	3.5
223.81274	0.6
225.00746	8.5
227.12857	2.3
241.01219	24.5
242.01497	1.0
249.38754	0.7
255.23325	28.0
256.23734	2.0
259.02246	1.9
297.03824	1.4
315.04709	1.0
525.17621	1.6
553.28046	1.2
763.39813	2.9
764.40778	1.0
781.41284	100.0
782.41632	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	781.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01283	0.4
61.98700	0.6
62.44215	0.3
69.17599	0.2
71.56832	0.3
78.12247	0.3
86.85085	0.3
88.98679	0.5
96.95926	0.3
108.55089	0.2
117.03374	15.9
118.03699	0.5
119.04942	8.2
120.05270	0.4
121.02875	0.4
137.02342	0.3
145.02885	100.0
146.03220	4.6
163.03951	6.7
164.04282	0.5
177.05522	2.2
189.60484	0.3
198.05962	0.3
205.04984	1.5
229.04939	0.5
341.04395	0.3
364.85071	0.3
373.08023	0.3
391.29984	0.5
455.31775	4.5
456.31967	0.5
485.32834	12.3
486.32858	1.9
503.34030	1.2
609.83081	0.3
649.37579	67.0
650.37860	13.0
663.40045	0.6
691.38666	1.3
692.38794	0.4
733.38971	0.3
781.41882	17.7
782.42316	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	781.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	11.1
61.98705	0.8
62.21570	0.4
70.60266	0.3
71.01270	4.2
71.04898	0.9
71.50841	0.4
71.57922	0.6
71.58328	0.4
73.02860	1.0
78.95795	5.5
78.98479	1.1
79.95644	2.3
80.96410	12.5
81.03345	0.5
83.01289	0.6
83.04933	0.6
85.02841	1.3
87.00819	1.0
89.02348	1.4
94.97981	2.9
96.96874	1.4
97.02856	3.1
97.06506	0.9
99.00787	5.9
101.02347	3.6
106.98008	0.6
109.06513	0.8
113.02364	1.0
122.55758	0.5
122.97497	0.8
125.02366	1.0
125.09649	1.8
134.97467	0.4
135.08112	0.5
136.05231	0.7
142.02646	1.1
148.99084	1.3
152.98479	1.0
152.99538	1.2
161.04477	1.0
163.11259	4.5
164.98596	2.7
169.43988	0.4
179.05510	0.4
181.12308	8.5
197.11861	0.8
207.10249	23.0
208.10559	1.0
209.11816	5.7
210.11987	0.5
223.13504	0.5
225.00780	5.5
225.11324	50.6
226.11612	2.4
226.26659	0.4
227.12920	1.1
235.08246	2.8
241.01263	3.4
241.03441	0.7
243.12424	6.0
246.97714	0.5
253.09424	3.3
255.23380	4.1
277.21786	100.0
278.22101	6.2
405.17776	0.8
443.19324	4.2
461.20438	4.9
513.30920	0.8
525.16864	0.5
543.71808	0.5
577.37811	0.5
721.41870	21.0
722.42181	3.3
750.77856	0.4
763.39600	0.5
781.40955	24.2
782.41412	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	781.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01000	1.1
59.01267	14.8
61.98703	1.7
69.03310	1.0
69.86372	6.5
71.01269	8.5
73.02825	1.6
74.81070	1.1
78.95790	10.9
78.98479	3.0
79.95618	4.3
80.96410	37.2
81.03339	1.6
81.35906	1.0
83.04917	1.5
85.02842	2.9
87.00774	2.1
89.02345	1.9
94.97958	6.8
96.96868	2.1
97.02849	6.0
99.00774	10.0
101.02338	3.6
106.98006	2.1
109.06505	1.9
113.02318	2.2
116.14080	1.1
122.97468	2.2
125.02337	1.8
125.09650	2.9
127.03899	1.4
134.97513	2.2
142.02649	3.1
145.74174	1.1
148.99026	3.7
152.98544	3.0
152.99593	2.6
155.06563	0.9
161.04443	1.6
163.11241	8.8
164.98541	5.4
179.39394	1.1
181.12283	18.4
207.10246	45.8
208.10664	2.4
209.11841	8.3
225.00754	12.0
225.11313	100.0
226.11475	5.0
241.01183	3.8
243.12381	9.0
248.63768	1.3
253.09227	2.8
255.23335	6.0
277.21777	86.6
278.22092	8.9
317.16110	1.6
443.19305	5.0
461.20377	45.3
462.20630	4.8
687.84912	1.3
721.28998	1.6
721.41699	27.8
722.42273	7.8
781.40906	62.1
782.41003	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.8
57.03316	0.7
58.00469	1.1
59.01262	100.0
60.01590	0.9
61.98711	0.7
69.03342	1.9
70.46112	1.2
71.01267	45.3
71.04886	0.4
72.01611	0.6
72.02045	0.3
72.99200	1.8
73.02833	49.1
74.03172	0.8
75.00757	1.1
81.03368	0.6
83.01273	15.6
84.01598	0.4
85.02840	4.4
87.00780	1.7
89.02335	9.5
95.01271	1.5
96.95882	0.3
97.02862	1.4
99.00755	0.7
101.02343	48.3
102.02705	0.8
109.25468	0.3
109.83060	0.3
111.00822	0.4
113.02351	15.6
114.02699	0.3
117.01839	0.3
117.43237	0.3
119.03412	4.5
125.02357	2.8
129.01915	0.3
130.39972	0.3
131.02470	0.4
131.03413	5.3
135.02876	0.5
135.04494	0.5
137.02251	0.3
143.03427	6.1
147.02856	0.6
149.04492	10.2
151.00255	0.4
154.78787	0.3
155.03419	2.1
161.04495	14.1
162.04903	0.3
178.99966	0.3
191.05498	0.4
203.05580	3.7
221.06645	4.7
286.23608	0.3
289.06900	0.3
291.47128	0.3
300.02917	0.4
437.30453	0.7
453.29883	0.9
455.31387	0.6
457.18768	0.3
469.29608	0.4
471.31198	1.7
473.32181	0.4
474.32004	0.3
517.31696	7.8
518.31781	1.3
519.33527	2.1
535.32996	2.1
536.32581	0.6
577.33447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.0
59.01262	15.4
61.98711	10.3
63.02284	4.2
64.71305	1.0
65.00210	7.4
69.03326	1.3
71.01269	2.6
71.56542	2.0
75.00764	1.3
81.03369	2.1
82.04392	1.2
83.01276	6.6
89.02330	1.5
93.03355	2.1
96.95923	2.2
97.02893	1.8
98.70065	1.2
101.02377	1.8
107.01290	12.9
109.02812	1.5
113.02360	1.6
119.04957	3.0
121.02867	1.4
124.01588	2.1
125.02346	15.7
135.04466	2.1
137.02391	11.8
137.68961	1.2
145.02837	1.5
149.02379	1.7
150.03172	2.3
151.00305	43.6
151.03827	1.9
152.00932	2.0
159.04387	1.8
161.02422	2.2
163.00290	2.2
163.03920	1.6
164.01106	2.2
165.01868	4.0
165.05528	2.6
167.03439	8.7
169.01361	6.5
173.02483	1.4
173.06087	1.8
175.03889	1.8
177.01903	5.8
178.99823	47.6
179.03459	3.1
180.00172	1.9
183.04462	1.7
187.03926	3.0
189.01918	1.2
190.02614	1.5
191.03441	1.6
193.01364	10.5
198.03065	1.4
199.03920	1.6
201.01743	1.3
201.05617	6.3
202.18474	1.3
202.41061	1.1
203.03491	3.8
205.01375	7.4
207.02989	4.7
209.11850	1.2
211.03979	7.0
213.01868	1.6
213.05513	2.0
214.02666	2.9
215.03455	6.2
219.02907	1.8
227.03452	5.7
228.04213	4.0
229.01482	3.1
229.05077	5.9
231.03008	2.6
237.05550	2.1
239.03473	4.3
241.05038	1.9
242.02170	2.3
243.03035	10.5
244.03462	1.5
245.01091	1.5
247.02496	2.4
249.05589	1.4
251.03557	3.4
253.05064	2.2
254.05986	1.6
255.02986	4.8
255.06712	3.3
256.03763	6.4
257.04416	6.3
263.06992	1.6
265.05121	2.9
267.03012	6.5
267.06500	1.5
269.04688	2.2
279.02890	1.7
280.03903	1.9
281.04459	6.3
283.02640	1.9
291.06696	2.0
293.01276	1.3
293.04504	3.1
299.05664	2.6
305.04593	2.7
307.06158	3.0
317.04529	2.8
318.05365	2.1
319.06052	1.9
321.04074	4.2
323.05661	2.3
329.04895	2.1
333.04324	2.2
333.07880	3.1
335.05685	4.0
337.03485	2.8
345.03967	4.7
349.03577	3.1
350.04361	7.5
351.04984	7.4
361.03568	2.6
362.04379	2.1
363.05179	14.9
364.05466	2.1
367.04636	10.2
373.03564	3.0
374.04138	2.1
375.05212	2.6
377.06866	3.8
379.04761	4.2
380.05341	2.8
381.06238	5.6
390.03879	3.4
391.04657	12.3
392.04840	1.7
401.03040	7.5
403.04315	2.5
408.04901	2.9
409.05905	11.1
418.03305	3.4
419.04181	79.8
420.04517	8.7
431.04321	1.8
437.05173	5.1
497.11084	5.5
519.33289	16.5
520.33655	4.3
539.06207	1.4
553.09967	12.6
555.11652	2.4
557.07422	10.0
561.33801	3.4
565.09857	4.7
575.08405	67.2
576.08942	11.7
579.25372	1.5
583.11145	26.1
584.11407	3.5
703.13025	6.0
721.14276	100.0
722.14374	19.9
739.38379	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	785.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.0
59.01250	1.2
71.55312	1.0
71.55737	0.9
83.01280	2.2
85.02795	0.7
93.03346	1.7
95.04936	1.4
107.01288	1.7
109.02891	1.3
110.07699	0.7
121.02879	7.4
123.04423	1.0
125.02358	15.7
133.02875	1.6
135.04390	1.4
137.02359	2.8
139.03975	5.4
145.02879	3.2
148.01593	1.0
149.02379	22.0
151.00313	6.1
151.03970	1.3
152.01085	1.6
159.04402	1.1
161.02393	4.9
163.03853	0.9
165.01894	2.7
167.03410	2.2
169.01430	1.0
176.01047	1.5
177.01888	31.7
178.02290	1.6
178.99789	8.5
185.06012	1.0
187.03990	1.1
189.01878	2.5
190.02629	1.7
191.03490	1.2
192.00667	2.5
193.01384	7.7
201.05511	1.9
203.03520	4.6
214.54259	1.0
219.99994	1.7
221.00909	36.2
222.01244	2.2
228.04156	1.3
229.01437	3.4
229.05051	5.2
231.03012	3.0
233.00937	2.7
247.02455	11.2
247.06133	3.5
255.03085	1.0
256.03699	1.8
269.04498	1.0
271.06161	3.6
273.03882	1.0
279.05161	10.6
297.04059	4.0
315.05173	3.6
341.02951	1.6
359.04150	100.0
360.04440	9.4
378.19534	0.8
623.15955	1.2
763.00116	0.8
816.81061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	1.3
59.01276	1.5
61.98722	0.5
63.02279	4.7
64.96062	0.3
65.00208	6.8
81.03359	0.6
83.01272	6.4
83.01704	0.5
85.02846	2.1
87.00768	0.8
89.02368	0.5
93.03345	3.6
95.01295	0.4
95.78644	0.4
96.95927	1.1
98.19806	1.0
101.02399	0.5
107.01294	14.2
109.02882	1.5
109.52959	0.4
111.00804	0.4
111.04456	1.2
113.02367	0.5
117.03369	0.8
119.05011	0.6
121.02885	0.9
124.01591	0.9
125.02367	4.6
125.03229	0.4
129.01854	0.6
131.04924	0.4
133.02901	0.7
135.00876	0.8
135.02962	0.4
135.04504	0.6
137.02382	3.7
145.02919	1.0
147.04489	1.4
149.02429	1.5
150.03178	1.5
151.00308	40.3
152.00932	1.8
153.01892	2.1
155.03520	0.9
155.05023	0.5
157.06534	0.9
159.04524	0.4
161.02438	0.7
163.00333	1.2
163.03934	1.2
165.01927	1.1
165.05550	2.1
167.03540	0.7
167.04938	0.8
169.01369	7.7
169.02805	0.5
169.06570	0.8
170.03598	0.5
171.04485	1.1
173.02380	2.8
173.04550	1.3
174.03157	0.4
175.03992	0.8
176.01089	1.2
177.01941	2.7
178.99818	34.4
179.03450	1.3
180.00250	1.3
183.04512	1.3
184.05202	0.4
185.06026	3.3
187.04001	0.8
189.01904	0.7
190.59268	0.4
190.99973	0.4
191.01978	0.4
191.03519	1.6
191.05539	2.1
192.00615	1.2
193.01396	9.1
194.01791	0.4
195.04498	2.0
195.06607	1.3
196.05171	0.5
197.02509	0.6
197.06081	1.2
198.03157	2.2
199.04008	2.5
201.01920	2.7
201.05638	0.8
203.03410	0.6
205.01398	3.9
207.02962	1.0
211.04012	4.0
212.04742	2.4
213.02087	0.7
213.05556	11.9
214.02611	0.7
214.05957	0.9
215.03458	3.6
217.01518	0.5
219.02979	12.3
220.03329	0.7
223.03998	2.6
224.04622	0.8
225.05519	0.6
226.02791	0.9
227.03485	7.0
229.05051	6.2
229.07188	0.4
233.00937	1.0
237.05728	0.7
239.01024	0.5
239.03508	11.7
240.04207	3.1
241.05074	23.8
242.05402	1.9
243.03105	0.5
245.00909	0.7
247.07796	0.5
249.05725	0.7
250.02721	0.5
251.03487	3.5
251.07318	0.4
261.05569	0.5
263.07111	0.4
264.04309	0.7
265.05173	0.9
267.03046	6.6
268.03592	0.8
269.04617	1.5
270.04919	0.4
271.02634	0.4
274.06329	0.4
275.07092	0.6
277.01563	0.4
277.05176	0.9
279.06580	0.8
285.05722	0.5
289.04953	0.8
291.06604	0.6
293.04700	0.5
293.08286	0.6
295.02496	1.1
301.05084	1.3
302.05634	0.4
303.06653	1.4
305.04684	0.7
306.05045	0.6
307.06107	0.8
309.04483	0.4
309.07813	0.4
317.04504	1.0
319.02780	0.5
319.06073	1.9
321.07684	0.6
329.04730	1.4
330.05209	0.8
331.06247	1.6
332.03290	0.6
333.04135	0.8
335.05664	0.5
337.07339	0.7
345.04208	0.7
346.04810	0.9
347.05643	3.8
348.06168	0.9
349.03644	0.7
349.07510	0.6
350.04559	0.5
351.05148	1.0
357.04016	2.8
358.04770	0.7
359.05600	0.7
359.15173	0.6
361.03470	1.7
363.05103	0.6
365.06781	6.1
366.07483	0.6
373.03482	0.9
374.04446	1.3
375.05148	41.5
376.05609	4.6
377.02856	0.6
377.06982	0.5
379.04663	0.6
385.03549	1.5
391.04800	2.1
392.05231	1.0
393.06232	25.3
394.06564	2.7
401.03091	3.5
402.03702	0.9
403.04675	26.9
404.04987	2.9
419.04187	12.5
420.04520	2.2
421.05716	35.8
422.06070	3.5
429.02292	0.8
437.05252	3.3
437.10742	0.5
447.03720	3.2
448.04086	0.6
461.05048	0.4
465.04703	100.0
466.05017	13.0
507.05783	2.1
585.23889	1.7
586.24457	0.4
593.09058	0.6
611.10516	33.4
612.11041	5.7
621.09003	5.8
622.09473	0.8
639.09998	29.7
640.10425	5.2
747.28436	0.6
785.15839	20.8
786.16144	4.7
794.70837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01268	21.2
61.73557	1.4
61.98719	14.0
71.01268	21.0
71.58828	1.6
72.76997	1.3
72.99191	2.5
73.02825	6.5
75.00747	3.0
78.79012	1.7
80.04943	1.9
83.01261	5.0
85.02838	8.8
87.00768	2.4
88.98724	2.3
89.02320	8.9
94.76077	1.3
95.01308	1.7
96.95911	10.2
97.02913	1.7
98.18386	1.4
99.39769	1.6
101.02346	7.8
106.06510	6.6
108.04497	2.1
109.02869	2.2
113.02348	8.1
116.05049	1.6
119.03325	1.6
122.05999	4.8
123.04520	1.9
125.02330	6.6
132.04466	4.1
134.06038	37.7
135.02956	3.7
135.04439	6.8
137.02338	2.6
148.03931	1.7
149.02374	1.5
151.00229	3.3
151.03802	1.9
152.07098	6.6
158.02406	2.8
160.03922	3.5
165.01746	2.1
167.03357	2.4
177.01904	2.6
178.99847	2.7
179.03436	3.9
183.18045	1.7
190.05052	3.2
192.06534	2.1
209.11731	2.7
213.10318	8.6
225.10251	3.0
227.11913	3.0
239.11954	3.4
251.11855	2.5
255.11517	2.9
265.10052	3.6
267.11346	8.7
279.11511	1.6
285.12552	4.3
305.09528	4.4
316.14670	5.0
317.11508	2.4
324.11353	3.3
327.13596	4.9
331.51028	2.2
337.11987	3.0
340.14554	13.0
356.14023	3.8
357.14883	1.9
358.15628	5.5
366.12622	2.0
368.10474	2.5
370.15637	2.7
380.10449	1.9
382.16064	2.3
383.12662	2.5
384.13492	9.5
396.13803	3.7
397.14343	2.1
398.15125	7.6
410.15063	4.3
412.16708	6.6
426.14746	2.7
438.14798	3.2
452.09503	1.5
491.20706	2.4
501.32010	2.2
505.21680	1.9
519.33563	2.3
573.21545	4.2
591.22723	4.1
592.22736	1.9
598.72784	1.9
711.26758	3.3
712.27448	2.2
725.29065	3.0
753.27887	100.0
754.28284	19.9
785.30493	89.1
786.30652	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	786.43
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.1
61.98714	100.0
62.98417	0.1
70.05912	0.2
78.95825	0.1
80.96417	0.1
98.20506	0.1
152.99576	0.1
209.11844	0.7
210.12216	0.5
211.12407	0.2
227.12881	0.1
228.13202	0.1
243.93018	0.1
277.21701	0.3
278.22012	0.3
279.22684	0.2
295.23111	0.1
535.99854	0.1
616.24438	0.1
715.47302	0.1
786.49634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.1
61.98712	100.0
62.98415	0.2
62.99139	0.1
70.72523	0.2
71.01280	0.1
78.88400	0.1
78.95803	0.2
79.95604	0.1
80.96408	0.3
82.95979	0.1
86.77544	0.1
101.02345	0.1
152.99565	0.1
164.98520	0.1
209.11789	0.9
210.12175	0.7
211.12115	0.1
226.01086	0.1
227.12901	0.2
228.13348	0.1
235.08374	0.1
253.09274	0.2
254.09671	0.1
277.21738	0.9
278.22147	1.1
279.22415	0.7
280.22827	0.1
295.23029	0.1
311.22522	0.1
526.27448	0.1
716.52771	0.1
786.48926	0.3
787.37976	0.1
809.70538	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02290	0.6
65.00206	2.0
71.01270	0.6
83.01269	1.2
98.20560	1.4
107.01281	3.3
109.02843	2.2
119.04945	0.7
124.01556	1.4
125.02370	1.3
135.02898	0.7
137.02364	5.9
143.03491	0.6
151.00310	15.5
152.00980	0.9
153.93494	0.5
159.53267	0.5
163.00296	2.1
164.01158	1.5
165.01782	0.9
169.01404	2.0
175.03879	0.6
177.01886	1.3
178.99820	13.8
179.03407	0.5
192.00612	1.1
193.01372	1.1
203.03506	0.6
207.05049	0.7
214.02698	5.3
215.03471	1.5
227.03448	1.4
229.22174	0.6
242.02168	5.6
243.03020	3.3
255.02837	0.7
259.02521	5.7
270.01709	6.9
271.02521	36.9
272.02914	2.1
287.02017	21.9
288.02670	2.1
298.28687	0.5
306.07608	0.8
315.01563	2.1
316.02286	95.8
317.03009	41.2
317.08496	0.8
318.03439	2.5
327.49680	0.6
372.55612	0.6
400.03027	0.7
479.08398	11.3
480.09015	0.9
562.11652	0.6
625.14227	100.0
626.14496	11.0
751.15961	1.5
787.19275	10.4
788.19696	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	787.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50027	1.1
65.00205	2.3
71.56868	1.6
75.00777	1.2
79.58630	1.3
83.01271	1.6
85.02869	1.5
87.00750	1.2
88.31128	1.2
103.98052	1.1
107.01266	3.9
109.02840	3.2
125.02371	3.0
135.04408	1.2
137.02374	7.9
149.02374	6.6
151.00301	23.5
152.01094	2.9
161.02257	1.7
163.00317	2.0
163.03952	1.7
164.01178	1.2
164.04730	5.8
165.01848	1.5
169.01363	2.3
171.04448	1.5
178.99806	23.2
179.03349	1.2
179.07077	3.8
187.03906	1.9
193.01375	4.3
199.04021	2.0
203.03459	7.4
208.03741	10.3
214.02635	2.0
215.03584	6.4
223.06133	25.3
231.03014	7.2
239.03343	1.6
242.02193	3.1
243.03008	8.8
259.02499	15.2
267.02710	1.2
270.01730	4.3
271.02533	32.3
272.02890	1.6
287.02039	37.7
288.02542	2.8
315.01541	73.3
316.02267	100.0
317.03043	64.6
318.03439	3.0
329.03207	1.9
385.11594	5.7
401.02832	2.9
463.02835	1.7
469.74045	1.2
478.07565	20.1
479.08273	12.1
496.54611	1.3
593.08673	1.4
625.14056	18.1
626.14777	2.3
641.08051	1.7
688.03815	1.3
787.19519	98.1
788.19745	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	787.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01257	0.5
64.76054	0.3
67.11971	0.4
71.01262	0.8
71.57475	0.6
75.00764	0.8
83.01270	0.4
85.02840	1.3
86.60820	0.4
93.03339	0.6
101.02341	0.6
103.23828	0.4
107.01292	0.8
109.02803	0.6
113.02335	0.5
121.02900	2.4
125.02356	0.9
135.04482	2.3
137.02365	2.1
149.02382	24.0
150.02753	1.3
151.00281	2.6
151.99951	0.4
152.01099	6.2
163.03978	4.4
164.04735	23.6
165.01903	1.1
165.05057	1.1
167.03432	1.2
169.01317	0.6
169.05035	3.1
178.99847	2.7
179.07097	9.5
180.04185	0.4
191.01894	0.5
193.01404	13.5
194.01669	0.4
195.02988	0.4
199.87643	0.3
203.03423	0.7
208.03758	38.7
209.04079	1.9
215.03410	0.6
223.06117	100.0
224.06479	4.6
228.65927	0.4
231.02974	0.6
243.03012	1.2
259.02554	1.8
263.19531	0.4
265.07263	0.6
270.01944	0.5
271.02505	3.4
287.01996	4.2
292.07370	0.4
308.71347	0.3
315.01508	7.3
316.02274	9.6
317.03091	7.2
318.03430	0.6
385.11487	29.0
386.11896	2.4
401.14551	0.9
478.07620	1.7
479.08249	0.8
625.13812	2.1
626.15277	0.5
787.19446	10.2
788.19885	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	787.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.0
57.03332	9.8
59.01262	24.4
61.98713	14.6
71.01271	27.2
71.56393	1.8
73.02838	7.1
75.00765	2.5
79.95601	3.0
80.96415	3.5
81.03342	1.6
83.01273	4.5
85.02843	8.3
87.00773	3.7
89.02343	9.1
93.03371	1.3
94.06519	1.3
95.01315	1.7
96.95909	21.2
97.02836	2.5
99.00775	1.3
101.02342	10.8
106.06541	6.8
107.03712	1.6
109.02864	5.5
113.02332	7.9
119.03403	2.6
119.04924	1.6
120.08113	4.1
121.02882	3.2
121.05254	2.3
122.06030	23.4
123.04439	3.2
125.01449	2.3
125.02366	38.5
127.04033	1.1
129.01840	1.2
132.04497	2.0
133.02882	1.4
134.06053	48.9
135.02954	3.2
135.04428	2.0
135.06348	1.4
137.02377	13.3
139.03883	1.1
146.06078	1.7
148.07635	1.3
149.02383	3.7
150.03159	3.1
150.05573	1.4
151.00269	1.8
151.03940	3.6
152.07146	7.4
158.02455	2.0
158.06027	1.5
160.03955	1.7
161.02419	11.5
163.03937	2.8
164.01111	5.5
165.01868	7.7
165.05521	1.4
167.03464	2.2
173.06055	1.3
175.03943	1.7
176.03391	1.4
177.01938	3.4
179.03467	2.8
181.05060	1.2
187.04019	3.8
188.04742	1.3
189.01906	1.2
190.05069	8.8
192.06549	2.0
195.90536	1.1
197.10815	1.8
199.04051	1.5
201.05595	1.4
203.07256	2.4
204.98730	1.3
205.05060	3.8
211.04062	1.5
211.08838	1.4
217.04880	1.4
221.10762	7.5
223.08846	1.9
225.10393	2.8
229.05130	2.5
230.05586	1.3
235.08733	1.3
236.09666	1.5
237.10307	4.2
238.10930	1.7
239.11964	2.5
241.05151	3.5
245.04637	3.5
245.08229	4.5
246.08116	1.4
249.06694	1.5
249.10429	7.8
251.08275	4.4
251.11986	4.9
255.02995	6.0
256.03751	1.6
261.10410	2.1
262.07489	2.0
263.08249	8.1
263.11923	2.9
264.09097	9.0
265.09885	8.2
265.13409	1.3
267.11478	1.6
269.12994	1.5
271.02380	1.4
271.10791	1.5
273.03989	1.6
275.08585	2.2
276.09048	3.1
277.09857	13.1
278.10580	3.5
278.50262	1.1
279.11417	14.8
280.12119	1.8
285.04144	2.9
285.31067	1.2
286.04922	1.9
287.02539	1.3
287.05679	3.9
288.06183	1.8
289.07220	17.4
289.10062	1.7
290.07620	2.4
290.10638	1.6
291.11435	8.9
292.08609	1.2
292.12115	1.9
293.09305	2.2
294.09872	1.4
295.10886	2.1
296.11609	2.2
305.09399	20.1
305.12787	2.0
306.10168	1.1
307.11172	1.5
309.08997	2.0
314.12689	1.2
317.09329	1.5
319.16837	1.2
323.10501	4.2
325.11948	2.2
329.15341	1.4
337.11816	5.4
342.16052	7.0
356.13977	1.3
360.17041	1.8
370.15741	1.8
372.17245	3.7
384.17249	2.1
386.15198	3.7
386.19363	2.0
389.17581	1.3
396.17517	1.4
398.15063	2.0
407.07813	2.5
410.15134	2.0
411.15985	1.4
412.16797	2.0
425.08899	3.4
426.18433	3.5
428.16095	1.9
430.17737	2.6
444.19519	1.8
452.16190	3.1
453.17291	2.1
470.17160	2.5
471.18121	2.2
472.18994	4.9
497.18405	4.2
499.19897	4.9
503.33871	9.8
522.23340	1.2
545.34979	4.0
592.22675	1.4
593.24280	3.1
617.20007	7.4
618.21149	1.5
625.26086	1.5
632.22778	9.6
633.23389	4.1
635.22321	1.5
664.25238	100.0
665.25482	18.5
713.28815	6.5
741.70410	1.4
749.41705	1.3
755.29468	34.5
756.29803	7.7
787.32355	61.2
788.32678	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	787.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
58.00484	0.4
59.01265	15.6
68.99725	0.4
69.03343	0.7
69.20113	0.4
70.27184	0.7
70.27576	0.8
71.01273	9.2
71.04896	1.0
72.99158	0.6
73.02838	9.9
74.25835	0.3
75.00760	0.6
79.95631	0.5
80.96400	0.7
81.03339	0.5
83.01266	3.7
85.02853	0.9
89.02348	1.0
96.95905	3.2
97.02853	0.5
99.00769	0.5
101.02345	11.5
108.02095	0.3
109.02856	1.1
111.00829	0.4
113.02337	1.5
116.92770	1.4
119.04893	0.6
120.99609	0.5
121.02867	0.9
123.04388	0.4
125.02368	7.2
127.80695	0.3
131.03392	1.0
135.04388	0.4
137.02399	2.5
143.03403	1.0
149.02388	0.4
151.00299	0.6
151.04010	0.7
155.03404	0.6
161.02394	1.7
161.04517	1.4
163.03966	0.6
164.01102	0.6
165.01851	0.8
167.03435	0.7
173.10431	0.3
175.03914	0.5
177.01895	0.6
203.03874	0.6
203.05548	2.7
229.05035	0.5
245.04546	0.7
255.02975	0.9
256.03683	0.9
287.05707	0.6
289.07291	1.8
337.32898	0.4
377.28760	0.9
393.31735	0.6
395.29642	1.5
407.07706	1.0
407.29785	0.8
419.29556	0.6
425.09167	0.7
443.31995	1.8
485.32834	7.5
486.33231	1.4
499.19958	2.1
499.34686	0.5
503.33902	100.0
504.34241	18.1
517.35541	1.7
545.34888	8.6
546.35260	1.5
565.74847	0.5
575.35901	0.5
581.25958	0.4
589.34106	0.6
599.20227	0.4
605.37024	0.6
617.20129	1.7
619.23285	0.4
707.40540	0.8
787.27527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.03334	0.7
59.01261	4.6
61.98706	1.0
67.55024	0.2
69.03343	1.1
69.23557	0.5
69.23901	3.0
71.01266	4.0
71.04903	0.2
72.99189	0.4
73.02827	1.0
78.69277	0.2
78.95778	0.2
79.95630	0.2
80.02567	1.1
81.03349	1.2
83.01280	1.0
83.04915	4.8
84.02057	2.4
85.02840	1.2
87.00768	1.1
89.02340	2.8
93.03372	0.3
95.04891	1.2
96.95907	6.3
97.02887	0.7
97.06499	4.4
99.00761	0.4
99.04426	0.8
101.02341	3.7
101.05972	0.4
109.06509	0.7
111.08041	0.6
113.02344	2.0
119.03398	1.1
121.02872	10.9
121.10110	0.3
122.03174	0.5
125.02383	1.0
125.05987	0.4
125.09636	1.0
127.11188	0.4
133.05083	0.4
135.08081	0.7
137.02354	0.5
137.09598	0.6
143.03444	0.5
145.05003	0.7
151.00261	0.4
161.04485	1.6
163.11235	3.5
165.01819	0.3
165.12814	2.0
171.10223	6.4
175.11279	0.4
179.05518	0.5
181.06564	0.7
181.12347	0.7
183.13783	0.2
185.11842	0.8
191.10732	1.0
193.12302	5.7
194.12784	0.4
197.11856	0.5
197.15404	0.3
199.13344	0.5
201.11278	0.6
207.10307	0.4
209.11809	100.0
210.12143	5.4
211.13408	2.4
221.11847	0.7
223.13490	0.3
225.05498	0.3
225.11406	0.6
225.14952	9.5
226.15390	0.6
227.12883	11.8
228.13216	0.7
228.88322	0.3
235.08205	6.5
235.10423	0.4
236.08543	0.3
243.12411	0.5
243.13557	0.3
243.16025	4.0
244.16316	0.3
253.09317	13.9
253.14500	0.7
254.09755	0.4
287.01996	0.4
289.07166	0.3
289.18344	0.3
291.19739	0.7
305.21326	0.6
309.20496	0.4
313.07242	6.8
314.07651	0.7
315.01422	0.5
323.22278	0.9
325.20291	0.4
341.23370	61.1
342.23752	4.8
445.20953	2.2
477.06708	0.4
478.07556	0.4
533.35071	2.7
534.34985	0.4
551.35840	0.3
559.30859	0.5
577.32288	2.2
787.29095	0.3
787.43378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.4
57.03334	0.7
59.01261	4.6
61.98706	1.0
67.55024	0.2
69.03343	1.1
69.23557	0.5
69.23901	3.0
71.01266	4.0
71.04903	0.2
72.99189	0.4
73.02827	1.0
78.69277	0.2
78.95778	0.2
79.95630	0.2
80.02567	1.1
81.03349	1.2
83.01280	1.0
83.04915	4.8
84.02057	2.4
85.02840	1.2
87.00768	1.1
89.02340	2.8
93.03372	0.3
95.04891	1.2
96.95907	6.3
97.02887	0.7
97.06499	4.4
99.00761	0.4
99.04426	0.8
101.02341	3.7
101.05972	0.4
109.06509	0.7
111.08041	0.6
113.02344	2.0
119.03398	1.1
121.02872	10.9
121.10110	0.3
122.03174	0.5
125.02383	1.0
125.05987	0.4
125.09636	1.0
127.11188	0.4
133.05083	0.4
135.08081	0.7
137.02354	0.5
137.09598	0.6
143.03444	0.5
145.05003	0.7
151.00261	0.4
161.04485	1.6
163.11235	3.5
165.01819	0.3
165.12814	2.0
171.10223	6.4
175.11279	0.4
179.05518	0.5
181.06564	0.7
181.12347	0.7
183.13783	0.2
185.11842	0.8
191.10732	1.0
193.12302	5.7
194.12784	0.4
197.11856	0.5
197.15404	0.3
199.13344	0.5
201.11278	0.6
207.10307	0.4
209.11809	100.0
210.12143	5.4
211.13408	2.4
221.11847	0.7
223.13490	0.3
225.05498	0.3
225.11406	0.6
225.14952	9.5
226.15390	0.6
227.12883	11.8
228.13216	0.7
228.88322	0.3
235.08205	6.5
235.10423	0.4
236.08543	0.3
243.12411	0.5
243.13557	0.3
243.16025	4.0
244.16316	0.3
253.09317	13.9
253.14500	0.7
254.09755	0.4
287.01996	0.4
289.07166	0.3
289.18344	0.3
291.19739	0.7
305.21326	0.6
309.20496	0.4
313.07242	6.8
314.07651	0.7
315.01422	0.5
323.22278	0.9
325.20291	0.4
341.23370	61.1
342.23752	4.8
445.20953	2.2
477.06708	0.4
478.07556	0.4
533.35071	2.7
534.34985	0.4
551.35840	0.3
559.30859	0.5
577.32288	2.2
787.29095	0.3
787.43378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
63.02274	1.1
65.00196	1.5
69.64230	2.7
71.01263	3.9
71.04893	1.3
72.99189	3.3
73.02836	3.0
73.69654	0.4
75.00761	15.9
81.03345	2.8
81.06403	0.4
83.01250	1.5
85.02837	1.6
87.00764	1.7
89.02303	0.7
89.03843	1.0
91.01781	0.4
93.03345	0.7
98.19787	0.6
99.00771	1.2
99.04408	3.3
99.44513	0.4
106.06552	0.7
107.01294	3.4
108.02074	1.2
109.02824	1.4
117.03358	4.8
121.02872	2.7
125.02337	1.4
134.03661	43.0
135.00774	1.3
135.02948	0.8
135.04373	2.0
137.02396	0.6
139.03928	0.5
143.03427	4.6
148.01619	1.2
149.06033	3.4
151.00299	16.1
159.04483	0.6
161.04507	7.7
162.99124	0.4
163.00301	2.7
164.01044	0.8
169.01404	1.4
175.03928	0.5
177.01790	0.6
178.02629	0.6
178.99828	7.9
179.05568	36.3
180.05959	0.9
183.04413	0.5
187.03987	0.8
193.05032	42.5
194.05356	1.5
201.05350	0.5
211.04100	0.7
215.03519	0.5
226.02669	1.5
227.03471	2.8
229.04997	0.6
239.03535	0.7
243.03003	7.3
244.03401	0.7
245.04468	1.1
254.02206	1.8
255.03006	23.9
256.03632	2.0
257.04691	0.7
271.02515	50.2
272.02979	4.6
273.04059	1.3
283.02539	1.6
299.01929	2.2
300.02792	100.0
301.03534	62.6
302.03903	3.8
313.03574	1.1
355.10394	56.3
356.10721	4.1
416.19055	0.4
433.07809	78.4
434.08109	6.4
463.06802	4.9
481.07864	6.1
609.14673	30.2
610.15027	3.4
789.19025	7.5
789.31812	0.5
790.19434	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17037	0.4
59.01264	2.9
68.99696	0.5
69.98263	2.2
71.01272	3.3
71.04902	2.1
72.99200	4.0
73.02840	4.2
75.00764	29.8
76.95162	0.5
81.03350	3.6
81.63750	0.5
87.00786	2.7
87.04395	0.6
92.74390	0.4
93.03367	0.5
99.00769	3.1
99.04416	3.6
107.01261	0.9
119.04945	33.9
120.05261	1.2
121.02846	0.7
125.02351	0.8
143.03441	10.3
145.02928	1.0
151.00314	3.2
161.04503	11.1
161.05829	0.6
163.03955	46.6
164.04272	1.8
178.99823	1.5
179.05573	100.0
180.05910	2.0
226.02737	0.5
243.03046	2.6
245.04555	0.6
255.03055	5.9
271.02524	13.2
272.02972	0.9
300.02823	20.2
301.03555	10.0
313.33295	0.5
316.02429	3.1
317.02890	0.5
325.09360	92.9
326.09674	5.1
463.08945	19.7
464.09335	1.6
513.41650	0.5
555.78003	0.6
570.85760	0.5
813.04749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55718	3.7
59.01251	7.7
61.98719	45.7
71.01259	9.4
71.58032	4.9
71.58447	3.9
78.95803	19.6
88.98695	17.3
89.02354	3.7
96.95924	15.6
115.92305	4.0
125.02340	5.5
152.99484	8.3
171.10251	7.5
185.11852	4.5
205.42064	3.9
207.10364	8.4
209.11838	100.0
210.12202	7.0
227.12892	23.8
235.08293	6.1
245.19115	5.9
253.09377	18.4
289.18149	44.3
290.18494	7.3
307.19247	59.6
308.19592	6.4
309.20840	7.0
341.38248	4.5
360.33566	4.3
525.26703	4.6
753.41455	5.1
754.39600	4.1
789.38135	62.4
790.38373	10.7
816.18628	4.4
824.74695	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	789.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.0
61.98711	9.6
68.91866	1.2
71.01260	5.0
78.95806	2.3
80.17436	1.1
80.66568	1.2
83.04912	4.9
88.98682	3.8
89.02320	2.1
95.04892	2.2
96.95905	3.7
97.02857	1.4
98.18626	1.2
98.19689	2.7
101.02332	4.4
113.02366	1.9
161.04507	2.6
163.11237	5.3
165.12788	2.4
171.10214	5.2
178.99805	1.7
181.12387	1.6
185.11816	5.4
185.14215	1.4
191.14320	4.0
207.10199	4.1
209.11815	100.0
210.12111	4.4
211.13152	1.4
225.11192	1.9
227.12886	20.4
235.08209	3.8
237.11232	3.1
245.19089	5.8
253.09296	13.4
289.18155	35.5
290.18359	2.9
291.19495	1.9
307.19223	40.3
308.19431	2.9
309.20691	2.6
310.21210	2.4
315.01633	3.0
316.02402	2.6
445.20792	2.4
462.07846	3.9
487.35098	1.5
499.31140	1.9
525.27051	3.5
543.28278	1.8
607.21936	4.8
717.38757	2.6
735.39624	6.8
736.39355	1.8
753.28436	1.8
753.40674	4.3
789.38098	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	791.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37921	2.9
58.09976	2.6
58.35511	3.0
58.48099	3.0
61.98726	7.4
71.56364	3.1
71.56725	3.8
90.79099	3.0
116.92759	4.5
165.12759	3.3
177.01831	3.9
199.76016	3.1
209.11812	68.5
210.11946	4.2
227.12889	25.3
235.08284	4.2
236.78519	3.1
253.09329	8.3
291.19717	20.2
305.97336	3.5
307.19159	4.3
309.20755	100.0
310.21381	5.9
424.47461	3.5
445.20654	3.4
458.28375	3.1
487.34488	5.0
527.28546	5.4
545.29755	34.3
546.30090	6.1
607.21393	4.0
737.41199	21.1
738.41669	4.1
755.42493	22.8
756.43109	5.6
773.39966	3.8
791.40271	35.4
792.40131	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	791.437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	14.3
64.09052	9.7
78.95810	20.2
82.30190	10.0
93.86266	10.3
94.70557	9.6
152.99466	14.1
189.01985	9.4
209.11786	100.0
277.21750	57.8
318.88110	10.3
791.43591	41.6
819.47449	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	792.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23466	0.1
61.98717	0.4
67.04145	0.1
70.91682	0.3
70.92020	0.2
71.04900	0.6
78.95824	0.2
83.04880	0.2
168.13914	0.3
191.19017	0.1
209.11789	0.7
210.12225	0.2
227.12868	0.4
253.09227	0.2
291.20001	0.2
302.55655	0.1
304.19250	0.2
309.20676	0.6
310.21109	0.3
326.23041	0.2
353.27942	0.2
405.31766	0.4
407.33456	1.4
415.28784	0.2
421.31635	0.2
423.32751	0.7
425.34720	0.9
425.39346	0.2
427.32224	1.1
439.32233	0.3
442.23862	0.2
443.35312	0.8
467.31903	0.2
469.33292	11.9
470.33649	1.6
487.34363	100.0
488.34708	11.9
513.32129	0.3
514.33032	0.2
792.40039	0.8
793.40222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12431	0.1
59.01260	0.3
61.98714	0.3
70.95107	0.2
70.95463	0.2
71.01272	0.1
73.02833	5.4
75.00764	0.8
89.02339	0.4
99.00774	1.8
99.92476	9.0
100.92497	0.5
114.93343	0.4
116.03487	0.2
116.92767	100.0
116.97086	0.9
117.01842	10.2
117.05479	0.4
117.92776	4.9
122.61325	0.1
125.02395	0.2
135.53810	0.1
147.34721	0.1
277.21948	0.2
293.21472	0.1
397.13599	0.2
629.82947	0.1
692.13361	0.2
699.85620	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83283	0.2
63.02271	0.5
65.00193	1.0
69.40691	1.6
83.01266	0.7
98.20554	0.3
100.87939	0.1
107.01298	2.3
109.02851	0.6
116.34279	0.2
119.04945	0.3
123.00791	0.6
124.01569	1.3
125.02380	0.8
135.00801	0.3
136.01501	0.3
136.79613	0.2
137.02382	2.4
145.02840	0.3
148.01570	0.2
149.56743	0.2
151.00298	9.0
152.01146	1.0
161.02348	0.2
163.00327	1.3
164.01054	1.2
165.01868	0.4
169.01382	1.1
174.03223	0.2
175.03934	0.2
178.99817	9.3
180.00174	0.3
187.03961	0.4
189.01903	0.2
192.00594	0.3
193.01445	0.3
199.04033	0.2
199.07607	0.2
200.11603	0.2
203.03464	0.8
204.04303	0.4
206.99309	0.8
214.02708	4.1
215.03337	0.7
227.03435	0.9
228.04095	0.2
229.01469	0.3
231.03049	0.2
232.03775	0.4
242.02203	4.0
243.02959	1.9
259.02499	3.9
260.02917	0.3
261.04047	0.3
270.01740	4.5
271.02518	24.5
272.02841	1.4
287.02023	14.6
287.05313	0.4
288.02567	1.7
289.03546	0.2
299.01971	0.3
303.01257	0.3
315.01605	1.5
316.02286	77.6
317.02954	17.8
318.03494	0.9
331.00970	1.8
332.01724	0.5
333.02710	0.8
347.12540	0.2
354.33118	0.2
388.80530	0.2
459.36261	0.2
463.08908	100.0
464.09216	9.6
592.10352	0.2
738.88672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.7
59.01258	0.7
61.98706	0.4
69.03326	0.5
70.96182	0.7
70.96548	0.7
73.76697	0.4
74.41820	0.3
81.28598	0.3
92.87704	0.3
93.92218	0.3
96.95913	0.7
97.02840	0.7
109.06487	0.5
119.69053	0.4
123.04460	0.5
123.08066	0.6
125.09650	0.9
137.09637	0.5
141.78642	0.4
151.07581	0.7
151.11145	0.5
153.12617	0.4
163.11188	2.1
165.12810	4.2
166.09926	0.4
171.10175	0.7
178.99835	0.4
179.14351	0.6
181.12286	1.3
185.11996	0.4
193.15939	1.1
209.11792	1.1
209.15497	0.6
210.93430	0.4
223.13432	2.0
247.20683	5.2
248.21149	0.6
273.18646	1.7
289.07254	0.5
291.19714	45.1
292.20013	4.2
309.20761	100.0
310.21106	8.4
441.33658	1.5
446.30713	0.4
469.69986	0.4
473.32809	0.8
485.32843	20.6
486.33029	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	795.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.2
59.01241	1.0
61.98710	0.8
69.03327	0.8
69.32578	2.3
69.32996	1.0
71.04882	1.0
81.03329	0.5
83.04904	1.1
85.06454	0.8
94.87992	0.3
95.04875	0.4
96.95909	0.8
97.02319	0.5
97.02855	3.8
97.06485	1.0
109.06462	0.7
111.04391	0.4
111.08054	0.6
123.04427	0.4
125.09642	0.7
137.09630	1.3
163.11192	1.0
165.12781	2.3
167.10689	0.7
171.10251	4.0
177.12808	0.5
179.14328	1.3
181.12277	0.8
183.13872	1.0
193.12294	1.1
193.15982	0.4
195.13864	4.3
197.11751	0.9
197.34537	0.3
205.12300	0.8
209.11768	1.4
211.13383	1.3
221.15462	3.9
223.13225	1.9
227.12897	0.8
239.16457	1.2
247.20720	2.7
251.16417	0.6
273.18814	1.6
291.19711	24.3
292.20093	2.0
309.20761	100.0
310.21106	8.1
421.53003	0.3
467.31735	0.5
485.32822	88.2
486.26068	0.7
486.33124	12.8
556.86554	0.4
699.73547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.6
57.06385	0.2
59.01282	0.8
67.29719	0.3
68.35522	0.2
69.46669	0.7
69.47083	1.5
71.04916	0.3
83.04961	0.4
96.95953	0.4
97.02904	0.7
97.20094	0.2
98.19799	0.5
107.04954	0.3
109.06502	0.3
111.08086	0.5
123.04497	0.5
125.06075	0.3
125.09678	1.1
127.07677	0.4
127.11222	0.3
137.09668	0.6
141.12881	0.3
151.07608	0.6
152.08414	0.3
162.10651	0.4
163.11235	2.5
165.09227	0.5
165.12801	4.8
166.13133	0.3
171.10251	0.7
179.14388	1.3
181.12270	1.5
185.11894	0.3
193.15999	1.5
197.11880	0.8
209.11816	1.1
209.15479	0.5
223.13377	1.8
246.19681	0.3
247.20702	5.7
273.18668	2.0
291.19717	47.2
292.20047	3.5
309.20755	100.0
310.21100	9.3
407.29602	0.4
423.32928	0.5
441.34006	1.5
473.32507	1.1
485.32858	20.0
486.33237	2.8
494.82031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
59.01260	3.6
61.98707	1.0
71.01264	1.3
71.58111	0.7
83.04910	0.9
93.03323	0.7
95.04955	1.1
96.95879	1.1
109.06543	0.6
111.08070	11.7
112.08453	0.7
113.09590	0.7
116.92744	3.8
123.08157	0.6
125.02324	0.7
129.01857	0.6
137.09648	0.7
149.09673	0.8
151.11084	0.6
161.09743	0.7
167.10712	2.1
177.12859	2.9
179.10692	2.6
195.13876	8.8
197.11774	1.1
209.11871	1.3
212.00642	0.6
213.83022	0.6
218.02118	0.7
223.13341	1.8
225.11461	0.7
247.20724	4.1
273.18668	2.5
291.19720	100.0
292.20074	8.8
309.20773	2.3
346.09094	0.7
437.30936	0.7
455.31760	14.3
456.32199	2.4
485.32813	33.5
486.33167	5.5
626.75555	0.7
795.35919	1.8
796.44690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.6
59.01263	0.9
61.98707	0.6
62.29725	0.3
65.64986	0.4
69.03325	0.4
71.01272	1.8
71.56522	0.4
83.04901	0.6
95.60284	0.4
96.95937	0.7
97.06484	4.5
109.06486	0.7
111.08065	1.4
123.04398	0.6
123.08068	0.6
125.09643	0.6
131.27087	0.4
149.09630	0.7
151.11201	3.8
153.12827	0.7
155.10710	0.5
161.09653	0.5
163.11205	1.3
165.12801	6.5
167.10692	0.8
171.10220	0.4
179.10732	2.5
181.12289	5.9
191.10725	4.5
191.14369	1.1
209.11803	34.9
210.12172	2.2
211.13399	1.1
224.10553	0.4
227.12801	1.3
239.09262	0.5
245.19080	4.5
247.82674	0.4
263.20142	1.6
279.19690	0.9
289.18222	5.5
307.19193	24.2
308.19553	1.6
455.22736	0.4
487.34369	100.0
488.34698	15.2
564.70715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.9
58.00483	1.7
59.01265	100.0
60.01603	1.0
61.98720	0.7
69.03356	1.9
69.88406	2.9
71.01270	50.3
72.01631	0.8
72.99199	2.3
73.02837	46.5
73.81699	0.5
74.03196	0.6
75.00770	1.3
76.03916	0.4
82.72025	0.5
83.01276	15.3
85.02841	4.8
87.00771	1.0
89.02333	8.4
95.01314	1.6
96.13220	0.4
97.02872	1.0
99.00814	0.5
101.02345	45.2
102.02689	1.3
104.82093	0.5
113.02357	16.8
119.03413	5.6
125.02368	2.8
131.03445	4.8
137.02423	0.5
143.03447	4.9
149.04501	9.9
151.00323	0.6
155.03471	1.5
161.04506	14.1
161.05829	0.7
162.04895	0.8
183.94630	0.5
203.05609	2.9
221.06639	5.6
271.02588	0.7
287.02225	1.1
289.02551	0.5
315.01660	1.0
316.02289	2.0
317.02780	0.8
373.25504	0.8
382.49069	0.5
391.26776	0.9
393.24872	0.9
403.26660	1.3
405.24475	0.8
407.26559	0.6
419.25992	0.7
421.27634	1.3
437.27408	0.5
453.26984	0.5
457.30103	0.5
471.27704	0.9
479.08780	1.8
483.27567	3.0
501.28726	10.9
502.29410	1.7
531.30237	1.3
537.05096	0.5
549.31171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01247	0.8
61.98697	0.4
62.47438	0.2
66.03992	0.2
67.17864	0.2
69.03337	1.1
71.04902	1.1
80.02543	0.2
80.58910	0.2
81.03333	0.2
83.04877	0.5
96.95918	0.3
97.02846	4.2
97.06468	0.5
98.20589	0.5
100.95677	0.2
109.06487	0.3
111.08031	0.2
119.08558	0.4
123.04432	0.3
123.08047	0.2
125.09614	0.7
137.09599	1.2
163.11211	0.9
165.09081	0.2
165.12779	2.7
171.10234	2.4
179.14346	0.3
181.12297	0.8
183.13820	0.5
184.28633	0.2
185.11809	0.5
187.11221	0.2
193.12309	0.6
193.15959	0.4
205.16017	0.3
207.10252	0.4
209.11836	1.3
209.15459	0.2
211.13380	0.6
216.18382	0.2
223.02834	0.2
223.13402	0.4
227.12891	1.5
229.73260	0.3
247.20735	2.2
273.18695	0.9
291.19717	20.8
292.20084	1.7
309.20761	53.0
310.21100	4.2
338.83521	0.2
346.36487	0.3
371.29639	0.3
389.28534	0.4
393.32028	0.2
405.32062	0.4
406.28546	0.3
407.33551	1.2
423.32739	1.3
424.33270	0.3
425.34290	0.9
427.32388	1.2
428.32709	0.3
439.32449	0.4
443.35355	0.7
455.31747	0.2
467.31461	0.3
469.33304	18.3
470.33582	2.4
487.34372	100.0
488.34732	15.6
513.32141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.8
58.00470	0.5
58.32093	0.3
58.56297	0.3
59.01278	0.5
61.30127	0.3
61.98713	0.4
69.03347	0.3
70.83199	0.6
71.01270	0.3
83.04939	0.4
93.06995	0.4
96.95916	0.7
97.06495	0.4
103.91309	0.3
109.06499	0.6
110.62917	0.3
110.80532	0.4
111.08064	12.7
112.08398	0.5
127.07595	1.5
135.66721	0.3
141.09018	0.4
151.11217	1.1
153.12779	1.3
167.10748	0.4
169.12280	4.0
179.10709	0.5
181.12325	1.3
183.13879	0.7
197.11806	50.9
198.12108	2.6
199.13356	2.1
211.13377	6.2
212.13602	0.3
221.12044	0.3
227.12944	1.1
229.19749	0.3
263.20215	3.6
264.20526	0.3
265.18127	1.0
273.18607	0.9
291.19717	10.9
292.19901	0.9
309.20767	100.0
310.21121	7.9
327.76941	0.4
356.21234	0.4
367.82928	0.3
487.34372	17.1
488.34857	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	798.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68267	0.1
57.24340	0.1
59.01260	0.2
61.98717	100.0
62.98421	0.1
69.88266	0.1
71.01295	0.1
75.00774	0.2
78.95811	0.1
80.96394	0.2
101.02422	0.2
134.39226	0.1
211.13400	0.2
223.13420	0.6
224.13718	0.4
225.14076	0.2
253.09332	0.2
277.21796	0.2
293.21393	0.5
294.21667	0.4
295.22147	0.2
299.47058	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87598	0.5
59.01263	16.3
71.01267	3.7
78.95779	0.8
78.98476	0.8
79.77784	0.5
79.95620	2.0
80.96408	14.2
81.22851	0.5
81.95238	0.6
82.95992	3.0
85.02828	1.1
87.00772	1.0
89.02319	1.4
94.97981	1.7
96.95908	1.6
96.97603	0.6
101.02338	2.2
106.97980	0.9
113.02335	1.2
122.97483	0.6
125.02385	0.9
127.03864	0.5
133.79832	0.5
134.97495	1.2
136.98972	0.5
148.99094	0.6
150.98730	0.5
152.98550	1.1
161.04514	1.1
164.98537	1.5
167.14336	0.7
183.13872	5.6
193.12311	2.0
211.13380	100.0
212.13744	4.3
225.00757	3.0
227.00381	1.5
235.08189	1.0
253.09251	5.0
277.21768	52.4
278.22134	3.8
316.53574	0.6
333.67416	0.6
351.67737	0.5
429.21460	1.0
447.22452	9.6
448.22543	1.0
513.30701	1.2
514.16907	0.6
707.44006	1.0
709.38501	2.2
710.39465	0.7
734.48297	0.6
781.41254	1.4
799.44031	15.7
800.43750	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	800.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.6
61.98714	100.0
70.13587	0.6
71.01275	0.5
74.18956	0.2
77.33315	0.2
80.33422	0.2
82.96663	0.2
83.01294	0.2
85.02863	0.3
88.98672	0.2
91.63493	0.2
95.71709	0.2
96.95929	1.4
98.20499	0.3
101.02344	0.2
117.89690	0.2
125.02383	0.7
135.02980	0.3
137.02403	0.5
150.03130	0.3
170.99864	0.2
175.02443	0.2
177.01952	0.3
214.52679	0.2
241.09856	0.2
251.89467	0.2
346.63794	0.2
355.68362	0.2
519.33350	0.3
769.27386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.1
61.98714	100.0
62.97469	0.1
62.98428	0.1
69.85434	0.4
69.85841	0.2
70.85922	0.1
71.01302	0.1
78.95798	0.2
80.96404	0.2
98.19849	0.1
144.37332	0.1
167.02922	0.1
171.10176	0.1
209.11772	0.2
210.12225	0.2
225.00916	0.1
277.21988	0.2
293.21298	0.2
295.22800	0.1
356.75998	0.1
379.46310	0.1
504.47208	0.1
756.17108	0.1
802.49542	0.4
803.39410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	100.0
62.98438	0.2
72.28546	0.1
75.00762	0.3
78.95813	0.3
80.96397	0.5
98.19790	0.3
109.06528	0.1
125.02372	0.2
125.04253	0.1
125.86034	0.1
134.87750	0.1
137.02377	0.2
151.00357	0.2
152.99588	0.2
157.41632	0.1
171.10225	0.2
190.68408	0.1
190.73390	0.1
207.10579	0.1
209.11798	0.2
210.12045	0.1
211.13402	0.2
225.00838	0.1
229.28738	0.1
287.04184	0.1
294.21823	0.2
295.22849	0.2
300.02908	0.1
327.21948	0.2
328.62329	0.1
488.35110	0.1
540.85724	0.1
570.96393	0.1
585.58612	0.1
638.10852	0.1
743.31866	0.1
802.49121	0.6
803.39868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.00994	1.8
59.01265	24.1
61.98713	4.9
71.01270	15.2
71.57942	1.8
72.99193	1.8
73.02855	1.0
80.04943	2.7
83.01257	1.8
85.02831	4.6
89.02336	9.6
95.01286	1.6
96.95908	12.6
101.02347	8.8
105.36346	1.1
106.06509	4.2
108.99628	1.0
113.02308	5.5
114.92538	1.1
119.03395	2.8
121.02869	1.4
121.05215	1.8
122.06025	6.3
124.07477	1.1
124.55037	1.0
125.02346	3.9
132.04491	3.0
134.06039	23.3
135.02849	1.5
135.04482	1.2
137.02344	2.4
148.03932	1.3
150.05588	1.1
150.51733	1.0
152.07071	3.6
153.07498	1.1
160.06325	3.3
160.27815	1.1
161.02368	1.0
167.03479	1.1
172.61308	1.3
177.01865	2.1
190.05058	3.3
213.10344	17.6
225.10297	1.9
226.11168	1.6
236.09235	1.0
239.11914	7.6
241.13454	9.1
249.10579	1.2
251.11987	2.8
253.09645	1.2
267.11462	1.4
277.09860	2.6
278.10602	1.4
279.11572	1.1
285.12512	24.4
286.12830	2.4
291.07797	1.2
293.13034	2.5
305.09137	1.6
314.12430	1.4
327.21741	4.0
328.10986	2.1
337.12173	2.0
340.14764	2.0
342.12543	1.5
343.13193	3.0
355.13434	1.4
356.13965	1.5
357.14700	1.7
358.15634	7.7
370.15707	2.4
372.16946	1.4
384.13562	4.4
397.14148	2.7
398.15149	4.2
400.16742	7.8
401.17111	2.1
412.16916	6.8
426.14890	1.7
444.15701	2.5
641.25714	1.4
727.29871	5.5
728.31738	1.1
743.29236	2.3
744.30530	1.3
771.28961	100.0
772.29303	22.7
803.31201	26.1
804.31580	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	803.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
58.41503	0.3
59.01267	4.5
60.40342	0.3
61.98706	1.2
65.84058	0.3
69.03337	0.3
70.19147	1.2
71.01266	3.8
71.04919	0.3
73.02834	0.6
73.46175	0.2
73.89852	0.2
80.96407	1.3
83.01289	0.6
83.04915	0.6
85.02848	1.1
87.00771	0.8
89.02338	2.4
94.97978	0.4
95.01237	0.3
95.04925	0.8
98.99776	0.2
101.02351	4.1
109.06480	0.3
111.08071	7.6
112.08415	0.3
113.02365	1.9
113.09613	0.6
119.03417	0.9
135.11710	0.5
137.09717	0.6
139.11206	0.3
141.55159	0.3
143.03445	0.5
145.04990	0.4
149.09669	0.7
161.04501	1.3
167.10762	1.9
177.12805	1.8
179.05586	0.5
179.10783	1.8
179.14388	0.7
195.13881	11.9
196.14331	0.8
203.14534	0.3
205.12315	0.6
205.15900	0.4
211.13441	0.3
223.13397	4.6
225.00693	0.4
225.08893	0.2
225.15105	0.4
228.13692	0.9
228.30559	0.2
231.21210	0.5
235.08269	2.5
241.69878	0.2
247.20740	1.6
253.09320	15.9
254.09564	0.5
256.13214	0.6
265.21640	0.5
273.18509	0.8
275.20200	4.8
276.20816	0.6
277.21808	1.4
291.19720	100.0
292.20084	8.1
293.21286	79.8
294.21588	5.8
307.19107	0.4
349.61743	0.3
494.28882	0.3
509.27539	0.6
527.20715	0.4
527.28662	8.9
528.28741	0.9
529.30249	1.3
560.05896	0.3
567.40515	1.1
631.60754	0.4
803.41278	0.6
803.51447	0.5
839.46045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.6
63.86455	0.4
67.01778	0.8
70.72158	1.4
71.01267	1.3
73.02813	0.4
75.00749	0.6
79.95642	0.4
81.03334	0.6
83.01224	0.5
85.02845	0.9
89.02352	0.6
93.03400	1.2
94.44928	0.4
95.01299	1.5
95.02387	0.5
96.95924	1.7
97.07888	0.4
102.58813	0.4
107.04926	0.6
109.02841	4.6
111.00761	0.5
113.02348	0.5
118.98039	0.5
119.04926	0.7
121.02871	1.9
122.03594	0.8
123.00836	2.3
123.04401	1.0
124.01624	0.8
125.02355	2.5
131.04974	0.5
133.02875	0.6
134.03662	0.4
135.02917	1.0
135.04445	1.8
136.01596	1.7
137.02370	25.3
138.02808	0.8
139.00293	0.8
139.03934	0.9
145.02908	0.7
147.00775	0.6
149.02377	1.5
150.03149	3.3
151.00310	11.7
151.03951	5.2
152.01129	2.0
152.04715	2.9
153.01909	0.9
154.02734	0.4
159.04443	1.0
160.01753	0.5
161.02400	1.3
162.03163	0.9
163.00383	0.6
163.03949	1.6
164.01044	2.2
164.04709	0.7
165.01884	100.0
165.05521	6.5
166.02664	37.6
167.03412	4.0
175.03949	2.3
176.04684	0.6
177.01917	3.0
177.05498	1.5
178.02620	1.5
179.03453	22.9
179.06879	0.8
180.04245	62.3
181.05026	43.9
182.05350	1.5
184.03751	2.1
187.04042	2.8
189.02008	0.6
189.05563	0.8
190.02602	0.9
190.06317	1.2
191.03488	1.3
191.06989	0.6
192.04271	1.3
193.05080	2.2
194.05844	5.0
195.02966	3.3
195.06606	85.6
196.06943	3.4
202.06413	0.7
203.03438	0.5
204.04156	0.7
205.05034	5.4
205.08694	0.9
206.05661	0.7
207.06639	1.9
209.08083	1.0
210.05319	15.0
211.05864	0.7
219.06628	1.8
220.07404	4.7
221.08080	1.1
225.07681	61.9
225.78438	0.5
226.08052	2.6
235.09818	0.5
327.08749	0.6
339.08707	0.7
341.10373	0.6
345.09607	0.8
357.09818	0.6
359.11285	2.0
371.11240	1.4
372.12155	1.8
386.13651	1.7
387.10788	5.9
387.14624	6.0
388.11172	0.6
402.13257	5.1
403.13931	1.5
416.14893	3.7
417.15610	52.7
418.15970	4.7
463.08923	0.5
532.17065	0.5
535.16095	0.6
550.18237	0.6
565.16833	2.4
580.19476	2.0
595.21948	48.9
596.22150	6.8
613.22681	1.8
625.22809	1.0
643.24066	30.7
644.24353	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	805.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.2
59.01263	35.0
61.98698	2.5
71.01270	17.8
71.49725	0.9
72.99182	3.4
73.02821	1.9
75.00745	1.2
83.01265	1.2
85.02831	5.2
87.00750	2.1
89.02342	14.7
94.06570	1.0
95.01284	1.5
96.95905	10.6
101.02341	10.3
105.05750	1.0
106.06510	4.5
107.03644	0.9
109.02824	1.3
113.02336	4.8
119.03410	5.7
119.04884	0.9
120.08114	13.1
122.06033	19.7
125.02359	2.5
132.04495	1.7
134.06039	30.5
135.02849	2.6
135.04448	1.2
136.07553	1.0
137.02341	1.7
137.04703	0.9
146.06071	1.2
148.03934	1.2
150.05507	1.4
151.00253	1.4
152.07111	5.6
161.04449	1.2
190.05013	3.0
196.09869	1.3
209.11790	1.3
223.08736	4.5
224.09561	2.1
225.10266	1.1
235.08719	1.1
235.12465	1.2
237.10333	4.8
238.11063	3.2
239.11864	7.9
241.13416	1.4
249.06694	1.5
249.10330	1.7
250.07487	0.9
251.08185	3.4
251.11937	7.3
253.13361	1.0
262.07471	1.2
263.08298	4.0
263.11725	1.8
264.09076	10.6
264.11792	1.5
265.09842	9.2
265.12671	1.3
265.13174	1.1
271.10785	1.1
276.09076	2.6
277.09875	5.9
278.10571	2.9
279.11414	26.4
280.12085	5.0
281.12997	2.6
289.07147	2.1
290.10562	1.2
291.08450	1.3
291.11411	7.6
292.08923	1.1
292.12039	3.9
293.81769	1.0
305.09418	1.6
307.11035	2.2
314.12408	3.1
323.10449	3.2
324.11102	3.6
325.11487	1.0
326.12967	1.6
337.12042	1.9
342.16150	1.2
358.19370	2.1
369.14877	1.2
384.17126	3.4
385.17480	1.1
386.18713	2.3
400.20425	1.2
401.21234	1.1
402.18289	1.3
412.16339	1.4
414.18436	1.0
426.18298	2.8
428.15915	1.4
430.17688	2.7
444.19266	3.2
462.20291	3.2
471.17984	1.9
472.18790	3.7
473.19467	3.9
488.18845	1.3
490.19940	6.9
606.25012	1.7
610.24152	1.2
623.25519	1.2
650.23468	8.0
651.24500	8.0
682.26294	10.0
683.26721	2.6
687.01184	1.2
729.31152	1.5
745.30786	1.1
773.30530	100.0
774.30872	15.4
805.33167	64.1
806.33563	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	805.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
58.00486	0.1
59.01261	2.6
61.98710	0.2
63.17219	0.1
69.03341	0.2
70.12624	0.1
71.01267	2.6
71.04925	0.1
72.99201	0.1
73.02834	0.5
77.45509	0.1
81.03353	0.1
83.01287	0.2
83.04865	0.1
83.67754	0.1
84.19593	0.1
85.02831	0.6
87.00779	0.4
87.60387	0.1
89.02335	1.9
95.01297	0.2
95.04923	0.3
97.02841	0.1
97.06519	0.2
97.63775	0.1
99.00771	0.1
101.02342	2.5
109.06501	0.1
111.00797	0.1
111.08042	0.4
113.02357	1.2
113.09625	0.2
119.03419	0.5
119.33407	0.1
121.10146	0.1
125.02383	0.1
135.11742	0.1
141.09212	0.1
143.03448	0.3
145.05040	0.1
149.04453	0.1
149.09666	0.1
150.99762	0.1
161.04494	1.5
167.10754	0.3
169.12199	0.1
171.10249	0.2
177.12796	0.2
177.16446	0.1
179.05580	0.5
179.10747	0.1
179.14391	0.8
181.12294	0.3
195.13882	9.1
196.14479	0.8
197.15273	0.1
205.12329	0.7
205.15933	0.5
211.13388	0.7
223.13390	5.9
224.13788	0.5
225.14941	0.2
228.13676	0.8
231.21222	0.5
235.08238	0.9
239.12968	0.1
249.18636	0.1
249.22238	0.2
253.09315	16.2
254.09674	0.6
256.13193	1.2
256.15588	0.1
257.18994	0.1
265.21796	0.5
275.20203	5.9
276.20456	0.4
291.19693	0.1
293.21280	100.0
294.21613	7.0
492.21927	0.4
529.30341	1.4
530.30890	0.2
556.95752	0.1
569.42230	1.5
570.42365	0.3
653.44055	0.1
768.42731	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03083	0.1
57.03338	1.1
58.29517	0.1
59.01266	1.8
61.98715	0.3
65.03869	0.1
69.03331	0.2
70.07316	0.4
71.01261	0.5
71.04897	0.3
73.02827	0.1
78.95786	0.1
79.67459	0.1
80.02571	0.1
80.96401	0.3
81.03355	0.2
83.04925	0.6
87.00790	0.1
89.02322	0.2
93.03356	0.2
95.04915	0.8
95.59366	0.1
97.06488	0.3
98.20429	0.1
101.02348	0.2
106.04116	0.1
107.04971	0.1
109.06517	0.5
111.08065	7.9
112.08396	0.2
113.09648	0.4
119.03469	0.1
119.04952	0.1
121.02804	0.1
121.06506	0.1
121.10176	0.1
123.08051	0.3
125.02345	0.1
125.09641	0.2
133.10173	0.1
135.11710	0.3
137.09647	0.7
139.11198	0.3
141.09134	0.2
149.09666	0.7
149.13335	0.1
151.11166	0.2
153.09122	0.1
153.12694	0.1
155.10713	0.2
161.09740	0.1
163.11252	0.1
165.12701	0.4
167.09302	0.1
167.10719	2.0
168.10983	0.1
169.12305	0.2
175.11293	0.1
177.12817	1.6
178.13132	0.1
179.10735	1.4
179.14337	0.1
180.11153	0.1
181.12274	0.1
189.12915	0.1
191.14403	0.1
193.12257	0.1
193.15961	0.2
195.13882	5.4
196.14267	0.2
203.14383	0.4
209.11792	0.1
217.15907	0.1
219.17535	0.2
221.12036	0.2
231.17697	0.1
245.08125	0.1
247.20699	2.2
248.21121	0.2
249.18637	0.1
253.09335	0.6
256.00742	0.1
265.06302	0.1
266.46460	0.1
266.56339	0.1
273.18686	1.2
277.21780	4.7
277.63129	0.1
278.22137	0.5
283.24557	0.1
291.19714	100.0
292.20047	8.0
380.68875	0.1
455.05078	0.1
805.40417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	13.7
61.98726	0.3
69.24664	3.4
69.24944	0.3
71.01264	0.7
75.00772	0.5
79.95629	0.6
80.96404	1.3
84.90442	0.3
85.02884	0.3
89.02345	0.5
93.03355	2.7
96.95897	0.9
101.02374	0.5
105.03414	0.3
107.01247	0.4
108.02099	0.4
109.02892	0.5
113.23386	0.3
121.02859	2.9
122.03659	10.2
123.04426	0.5
124.01589	0.5
125.02345	1.0
132.02098	0.4
132.77577	0.3
133.02884	1.1
135.02930	0.4
135.04446	0.7
136.01630	1.3
137.02386	0.7
147.04424	0.3
149.02385	15.5
150.03169	82.1
151.00311	0.8
151.03494	2.6
160.01595	0.6
163.03946	0.4
164.04768	2.9
165.05525	100.0
166.05833	3.5
179.03488	0.4
180.04234	7.0
181.04807	0.3
195.06607	78.7
196.06953	3.0
211.03998	0.4
223.09839	0.3
257.11792	0.7
270.08926	1.4
283.09625	0.4
284.07010	0.4
285.11343	2.3
286.08661	0.4
298.08481	0.9
299.09256	1.9
301.03497	0.6
301.10736	0.7
302.03812	0.3
310.08569	0.7
311.09341	0.9
313.10855	1.0
314.08072	1.7
316.02615	0.3
324.10123	0.4
325.10873	0.9
326.07962	0.9
326.11453	0.4
327.12177	0.4
329.10397	5.1
330.11310	0.4
339.12390	0.4
340.13330	0.5
341.10364	7.4
341.14267	0.6
342.10922	0.4
344.12720	9.0
345.13043	0.5
356.12695	4.9
359.15076	25.1
360.15387	2.3
371.15054	18.5
372.15454	1.9
389.16037	0.7
463.08539	0.3
489.02463	0.3
507.20270	0.8
515.66479	0.3
537.21167	2.1
580.38159	0.3
585.23535	54.6
586.23834	7.4
597.61774	0.3
694.49097	0.3
807.24854	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	807.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
61.98727	2.3
62.34120	0.9
68.27701	0.8
68.99791	0.9
71.01272	8.2
73.02836	5.4
83.01285	2.6
83.88771	1.0
85.02847	1.3
89.02297	0.9
96.95900	7.0
98.95518	1.2
101.02339	11.7
113.02372	1.7
116.92762	1.7
119.04975	1.4
125.02377	4.1
131.03389	1.3
135.02913	1.5
135.04399	1.5
137.02359	1.7
143.03423	1.1
149.02341	1.0
151.00279	2.1
161.04507	2.1
171.10231	1.2
203.05516	1.3
209.11900	1.0
221.06670	5.8
229.95772	1.2
310.12494	1.0
327.21768	1.6
333.10318	0.9
342.15500	1.0
373.89877	0.9
389.28589	1.1
406.62222	0.8
407.29678	3.0
409.27686	1.3
451.28729	7.5
452.28970	1.5
469.29700	34.0
470.30087	4.4
503.34537	1.3
541.31769	6.5
559.32855	94.1
560.33252	14.6
573.34204	1.3
653.21710	1.0
733.38708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69339	10.5
61.98703	29.2
62.09084	11.9
62.16968	10.2
71.25077	32.1
76.05422	11.1
78.52028	11.5
78.95779	11.1
103.55033	11.6
116.92597	10.6
125.02318	17.1
127.87269	11.3
179.08293	14.6
209.11829	100.0
234.28734	12.8
253.09210	18.2
254.93866	12.6
265.53329	12.7
293.21161	71.1
294.21414	15.1
487.34436	22.9
665.06079	13.7
807.43689	66.9
808.43048	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	808.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72660	0.2
56.74593	0.1
59.01269	0.9
69.27153	0.2
69.27548	1.7
71.01258	0.4
78.95795	4.9
80.02551	0.2
83.04892	0.2
91.04897	0.2
95.04930	0.3
96.96860	0.2
97.06487	0.4
105.93192	0.1
106.04170	0.2
113.05942	0.3
113.17831	0.2
119.04925	0.4
119.35359	0.2
119.36279	0.2
124.42736	0.2
125.06015	0.6
127.07558	0.2
127.11181	0.2
141.09135	0.2
148.08887	1.2
150.10420	1.1
151.11186	0.4
152.99521	1.7
155.50568	0.2
163.11256	1.0
165.12793	22.4
166.13094	1.0
168.04292	1.0
175.11224	0.6
176.12009	0.6
177.12836	0.3
179.14354	0.3
191.14339	0.6
192.14873	0.2
202.09898	0.2
217.15950	0.6
223.13358	0.3
224.06873	0.7
229.19612	0.2
233.22762	0.3
242.07997	2.1
245.19241	0.5
247.20697	11.0
248.21045	0.7
252.61922	0.2
255.17577	0.2
259.20715	0.2
263.51492	0.2
270.01004	0.2
273.18640	6.7
274.19144	0.8
275.20178	0.3
277.21768	62.2
278.22113	5.3
291.19708	100.0
292.20053	8.1
295.27042	0.2
332.74655	0.2
388.13812	0.2
502.29495	37.4
503.29910	4.2
653.65570	0.2
749.44171	0.3
808.51776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.2
59.01263	16.9
66.50502	1.8
69.03352	3.0
70.01993	10.5
71.01268	3.4
73.38950	1.6
83.01254	1.8
85.02836	2.2
97.06486	1.9
101.02320	3.6
103.67565	1.8
116.92750	2.3
120.75832	1.6
125.02321	3.1
125.06438	1.8
125.09605	2.6
153.21643	1.7
163.11221	4.2
167.10643	2.7
179.14369	3.9
185.11742	2.9
191.14388	3.2
195.13838	10.4
205.12346	9.3
209.11830	8.3
223.13379	100.0
224.13704	6.2
235.08177	3.6
245.19113	5.4
253.09225	9.7
289.18167	23.4
307.19189	29.1
349.48947	2.2
407.95700	1.9
459.22559	13.4
633.32751	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	811.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33427	0.6
59.01264	3.1
71.01259	3.9
71.56966	0.9
71.91243	0.6
72.99195	2.1
73.02831	4.3
73.14393	0.6
75.00761	8.9
83.01257	0.6
85.02807	1.2
87.00774	10.3
89.02353	3.7
89.03867	1.0
93.50799	0.7
99.00779	2.4
109.02867	2.1
111.00880	0.6
115.00286	4.2
117.01859	11.8
117.03347	5.0
121.02898	1.2
133.02855	1.5
133.23938	0.6
134.03661	66.3
134.87306	0.6
135.02924	37.7
135.03929	2.0
137.02376	2.0
139.03938	1.0
147.04431	1.2
149.06021	15.7
160.01573	0.9
161.02390	7.8
163.03957	1.5
174.03226	1.0
175.02428	8.2
175.03954	3.1
177.01886	4.0
178.02664	5.5
179.03471	0.7
182.36169	0.6
187.03957	1.4
189.05569	1.7
193.05026	100.0
194.05379	4.0
203.03540	1.3
205.04909	0.9
215.03477	1.4
219.02904	3.2
233.04544	4.4
237.04121	5.8
249.07857	0.7
275.05576	1.5
277.03528	2.9
293.06647	1.9
311.07773	26.5
312.08182	2.1
319.04541	0.9
337.05612	15.7
455.12003	1.3
459.96756	0.7
499.11041	43.5
500.11450	3.6
632.78290	0.7
836.39905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
58.00484	0.4
59.01254	0.6
59.65174	0.2
61.98699	0.3
68.81507	0.2
69.03339	0.8
71.01279	0.3
71.58241	0.3
73.02845	0.7
78.95812	0.3
83.04898	0.6
96.95923	0.6
97.02844	0.3
97.06470	0.3
109.06493	0.7
111.08064	13.3
112.08430	0.3
127.07564	0.7
127.77802	0.3
137.02394	0.3
141.09106	0.3
151.11211	0.4
153.09082	0.3
153.12769	1.0
157.64607	0.2
169.12291	4.4
179.10779	0.5
181.12276	0.7
183.13860	0.6
193.12260	0.5
197.11806	55.4
198.12137	2.5
199.13393	2.0
209.11761	0.5
211.13380	5.8
212.13823	0.3
227.12907	1.8
230.11580	0.3
247.16934	0.2
247.20651	0.4
263.20193	2.2
265.18182	1.7
273.18652	0.7
291.19727	10.9
292.20020	0.7
309.20770	100.0
310.21118	7.6
361.65482	0.2
391.30679	0.2
407.29535	0.4
453.30203	11.5
454.30548	1.6
471.31293	2.8
472.31824	0.6
483.31213	6.4
484.31378	0.6
501.32312	79.8
502.32672	10.6
536.69922	0.2
664.88123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.7
59.01034	0.2
59.01259	2.8
62.87380	0.3
63.70079	0.3
69.03333	0.6
71.01248	0.3
71.04910	0.5
71.58262	0.5
74.49648	0.4
80.02575	0.5
81.03344	1.8
83.01271	0.3
83.04910	0.7
95.04922	0.8
96.95888	0.4
97.02851	2.2
97.06482	1.0
106.04150	0.3
107.04943	0.4
109.06532	1.5
121.06502	1.2
123.04438	3.2
123.08073	0.9
125.02338	0.4
125.05979	0.5
125.09643	4.5
135.08058	1.2
137.02312	0.4
137.09657	3.6
141.12770	1.3
142.02644	0.5
149.05997	1.0
149.09680	0.5
150.10417	0.3
151.11195	0.6
160.08868	0.4
161.09673	0.3
162.10396	0.5
163.07571	0.9
163.11240	6.8
165.09082	0.3
165.12805	1.0
167.03345	0.3
171.10187	0.6
174.10410	0.3
177.01630	0.3
177.12781	0.9
179.10692	0.6
181.12317	1.2
185.11786	11.7
186.12057	0.5
189.12801	0.7
191.14380	8.0
192.14804	0.5
197.11757	0.4
203.14375	0.4
207.10251	4.9
208.10335	0.4
209.11778	0.7
211.13374	4.4
214.92380	0.3
217.15993	1.5
223.13361	0.4
225.11324	4.9
226.11955	0.4
227.18100	0.6
235.13606	0.4
243.17590	0.7
245.19115	16.6
246.19479	1.1
247.17087	0.4
261.18744	0.4
263.20172	0.3
263.72885	0.3
271.17093	2.1
289.18149	60.8
290.18466	3.7
291.19696	8.0
292.20175	0.6
307.19202	100.0
308.16000	0.4
308.19559	8.8
309.20728	2.4
319.61597	0.3
394.96771	0.3
407.29294	0.4
453.30093	0.5
483.31555	0.4
495.26187	0.3
501.32339	4.2
502.32578	0.9
503.32858	0.6
511.31564	0.3
621.94666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.4
59.01262	6.3
61.98704	4.4
63.13506	0.6
71.01263	4.9
71.56702	0.8
73.02837	1.3
74.03382	0.7
75.00767	1.3
78.95826	0.7
80.02557	1.5
81.03353	1.5
83.01257	1.8
83.04913	5.1
85.02840	0.9
85.04862	0.6
87.00754	1.0
89.02332	3.3
94.36057	0.6
95.04903	1.6
96.95933	1.6
97.02835	1.8
97.06483	2.1
101.02346	4.1
109.06492	1.9
109.94492	0.7
111.08076	0.7
113.02307	1.5
119.08578	0.6
121.06508	1.1
123.04438	1.4
123.08064	0.8
125.05991	1.2
125.09636	3.9
135.02910	2.1
135.08102	1.4
137.02330	0.7
137.09637	2.3
149.06035	0.8
150.73100	0.6
161.04475	1.5
161.63972	0.6
163.11237	7.0
165.12801	2.7
171.10168	1.3
179.10805	0.8
181.12318	1.5
185.11842	3.6
191.10756	1.5
191.14397	4.3
193.12352	0.6
197.11833	1.4
207.10280	6.7
209.11812	100.0
210.12149	5.7
211.13295	1.3
217.16045	0.8
225.11375	3.0
227.12897	13.5
227.18002	0.8
235.08150	3.3
237.11365	1.1
245.19102	6.4
246.19563	1.1
253.09332	11.8
263.20221	2.8
271.02469	0.9
271.16980	1.0
289.18149	39.2
290.18481	2.7
291.19675	1.7
293.21164	0.7
299.02158	0.9
300.03018	0.8
307.19211	36.1
308.19568	2.9
309.20819	3.7
311.22339	2.4
401.23309	1.1
445.20551	1.4
461.20392	0.7
512.51129	0.7
516.32166	0.7
525.27173	1.2
543.28601	1.4
592.91180	0.8
603.11322	0.7
637.32233	1.4
735.39886	2.3
753.40704	3.5
813.36194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01254	1.0
61.98709	1.0
71.01259	0.5
71.57903	0.4
71.58334	0.4
73.02810	0.4
75.00760	0.5
80.96413	0.5
82.57427	0.4
96.95905	0.4
97.06490	0.8
99.76438	0.3
113.09627	1.2
114.02792	0.3
115.07571	0.7
123.08052	0.4
125.05945	0.4
125.09663	0.4
127.07463	0.4
131.59799	0.4
132.86226	0.4
135.02908	0.8
137.36296	0.4
139.11192	0.7
141.09189	0.9
151.11243	0.6
157.49583	0.4
163.11157	0.4
165.12779	2.5
167.10783	0.6
167.14346	0.9
171.10176	0.6
178.99821	0.4
181.12265	2.1
183.13837	0.8
191.14374	0.4
193.12312	1.0
193.15952	0.5
195.13895	0.9
197.11832	0.4
207.10309	0.4
209.11790	2.1
211.13370	2.0
213.14813	0.4
221.15497	1.2
225.11368	0.8
227.13058	0.4
229.14453	0.8
239.12920	0.5
240.13696	1.0
241.14258	0.5
245.31837	0.4
247.20692	2.2
253.09230	0.4
263.20233	0.4
273.18677	2.4
281.21359	1.1
289.18195	0.9
291.19720	21.1
292.20016	2.2
293.21231	2.3
301.03918	0.4
307.19086	0.4
309.20773	100.0
310.21109	10.1
311.22229	4.4
469.33432	3.9
470.33890	0.6
485.32657	0.5
487.34070	1.2
503.34064	3.0
504.34021	0.5
680.82300	0.5
786.43585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	11.2
60.99146	0.3
61.98718	88.6
71.01274	6.1
71.04906	0.8
73.02842	7.4
75.00751	0.5
83.01280	2.6
85.02852	0.6
93.83365	0.3
95.51131	0.3
99.00797	0.3
101.02349	9.4
113.02369	1.0
125.02364	1.0
131.03452	0.9
135.02896	0.4
135.04451	0.7
137.02415	0.3
143.03418	0.7
155.03442	0.9
161.04517	1.3
163.03941	0.4
179.03406	0.3
203.05611	3.2
372.74692	0.4
377.28751	0.6
393.31845	0.4
395.29660	1.3
407.29440	0.6
419.29294	0.4
443.31589	1.6
459.35034	0.4
485.32843	5.8
486.32983	0.9
503.33905	100.0
504.34253	12.3
517.35413	1.1
545.34949	10.2
546.35400	1.3
575.35828	0.6
587.35718	0.6
589.34045	1.1
605.37128	0.6
707.40186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.1
61.98716	100.0
62.98413	0.2
62.99157	0.1
71.01282	0.1
71.58356	0.1
75.00752	0.1
78.95809	0.1
80.96415	0.2
99.50398	0.1
111.08095	0.1
119.49124	0.1
125.02354	0.1
197.11752	0.1
205.12306	0.1
211.13538	0.1
223.13385	0.5
224.13779	0.3
225.14064	0.1
238.79791	0.1
293.21182	0.1
309.20834	0.2
310.21127	0.2
311.21429	0.1
461.22534	0.1
724.87390	0.1
754.44476	0.1
814.37842	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01253	2.0
61.98712	1.1
63.02282	1.0
65.00205	2.9
69.25249	6.1
71.01260	1.6
72.99194	0.5
73.02842	0.7
74.09105	0.4
78.22243	0.4
78.95808	1.1
83.01273	2.2
85.02837	1.2
88.09747	0.4
89.02354	0.7
91.65335	0.5
93.03361	0.5
96.95916	1.6
98.20549	1.2
101.02324	0.9
107.01290	6.2
108.02055	0.9
108.66601	0.4
109.02852	2.0
113.02350	0.9
119.01265	0.7
119.04941	1.4
121.02898	2.7
125.02383	2.6
133.02875	0.8
135.00800	0.8
135.02884	1.2
135.04437	1.9
137.02359	1.3
147.00838	0.7
147.06572	0.8
147.63684	0.5
148.01601	0.6
149.02368	1.8
149.04555	0.9
150.03123	0.7
151.00301	20.1
151.03876	0.7
152.00935	0.5
153.01862	0.6
155.04861	0.5
161.02350	1.2
161.09724	0.7
163.00301	1.6
163.03929	1.6
164.01129	1.4
165.01921	0.8
167.03474	0.8
169.01349	2.1
171.04460	0.6
175.00294	1.5
175.03955	0.8
177.01862	0.9
178.99811	7.9
179.03348	0.9
187.03864	1.0
189.02023	0.6
190.99863	1.0
193.01320	0.7
199.04007	2.4
201.05493	0.8
203.03522	0.9
211.03964	1.4
215.03462	1.7
216.04292	0.8
226.02718	4.8
227.03423	3.7
227.09779	0.7
241.04936	0.6
243.03006	10.9
245.04436	0.7
254.02231	4.3
255.02971	7.2
256.03580	0.8
271.02524	65.4
271.81165	0.5
272.02927	5.4
273.03790	0.8
275.09344	1.0
283.02554	1.2
284.03363	1.2
285.04120	3.5
297.03897	0.7
299.02029	40.7
300.02774	65.3
301.03561	100.0
302.03955	6.0
313.03589	1.8
329.03162	1.0
343.04532	1.5
371.12451	0.6
391.04642	0.6
411.10486	0.6
447.09378	43.5
448.09604	3.2
463.09195	1.2
533.31262	0.8
543.08710	0.6
609.14746	2.0
624.18878	2.1
625.19391	9.0
626.20569	0.7
669.18341	7.6
670.19263	1.1
700.59216	0.5
771.25153	24.4
772.25891	3.8
815.24225	40.5
816.24078	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	815.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.2
61.98697	0.5
63.02280	1.2
65.00207	3.3
69.45720	3.1
69.46128	1.0
71.01286	1.5
72.99208	0.9
78.95783	0.6
83.01271	3.0
85.02838	1.2
89.02321	0.8
93.03345	1.2
96.95925	1.1
101.02396	0.7
104.73064	0.5
105.03402	0.5
107.01302	7.4
109.02865	3.2
111.00771	0.6
119.04940	1.6
121.02878	3.0
123.00915	0.5
125.02349	2.7
133.02858	1.1
135.00821	1.0
135.02919	1.0
135.04440	1.6
136.01534	0.6
137.02356	1.7
138.43100	0.5
143.04982	0.7
147.06544	0.8
149.02403	1.8
150.03157	0.6
151.00307	22.8
153.01930	0.8
161.02437	1.1
163.00381	2.8
163.03928	1.4
164.01135	1.2
165.01836	0.8
167.03447	0.7
169.01399	2.0
174.03217	0.7
175.00301	1.2
175.03920	1.0
177.01932	0.8
178.99844	8.8
179.03439	1.7
179.05574	0.5
179.10774	0.7
183.04471	0.6
185.92586	0.5
187.03929	1.3
189.01901	0.7
192.00708	0.6
193.01405	1.0
193.04907	0.6
198.03140	0.6
199.03964	3.5
201.01933	0.5
201.05522	0.6
202.22713	0.6
203.03467	0.8
211.04013	1.3
213.01784	0.5
215.03497	1.2
217.01227	0.7
226.02737	5.0
227.03496	5.3
228.04173	1.0
229.05113	0.9
242.02159	0.6
243.03014	9.9
244.03484	1.1
254.02261	5.4
255.02992	7.9
256.03760	1.1
271.02536	69.3
272.02951	6.4
273.04022	1.1
282.66550	0.5
283.02460	1.4
284.03293	1.1
285.04071	2.8
289.07114	0.6
299.02042	46.0
300.02805	72.0
301.03580	100.0
302.03915	6.0
313.03467	2.4
329.02979	0.7
342.03836	0.6
343.04666	1.8
447.09402	46.5
448.09900	4.0
463.09177	1.2
463.15564	0.5
533.31122	1.0
551.12128	0.6
551.32404	0.6
609.14661	2.0
624.18402	2.7
625.19330	9.2
626.19366	1.3
651.17108	0.7
669.18433	8.0
670.18988	1.1
758.37073	0.6
771.25220	26.0
772.25800	3.1
815.24194	39.4
816.24670	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	815.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01265	1.5
61.98714	0.5
63.02270	1.6
65.00206	3.2
71.01273	1.1
71.57900	0.4
72.99171	0.3
73.02832	0.3
76.34676	0.2
83.01267	2.2
85.02831	0.7
89.00205	0.3
89.02351	0.7
93.03358	1.1
95.01281	0.6
96.95913	0.7
101.02357	0.7
101.55030	0.3
107.01295	6.0
108.02086	0.3
109.02846	2.1
113.02370	0.4
117.03375	0.3
119.04977	0.7
121.02869	2.9
123.04439	0.3
124.01601	0.6
125.02362	2.4
131.01321	0.4
131.30481	0.2
132.02158	0.3
133.02878	1.0
135.00803	1.0
135.02896	0.7
135.04442	2.3
136.01717	0.3
137.02338	0.8
139.03967	0.5
145.02791	0.2
148.01535	0.4
149.02359	1.4
149.99513	0.5
150.03136	0.3
151.00304	21.5
152.00725	0.8
153.01903	0.7
159.04456	0.4
161.02336	1.2
161.09560	0.3
163.00331	2.3
163.03934	0.8
164.01047	1.2
165.01878	0.8
166.02673	0.3
167.03328	0.2
169.01408	1.9
171.04466	0.9
174.03151	0.6
175.00311	1.8
175.03938	0.8
176.43498	0.3
177.01842	0.5
178.99820	7.6
179.03433	1.7
179.10776	0.4
183.04477	0.4
185.06116	0.8
187.03952	1.3
189.01924	0.3
190.99907	0.4
191.03455	0.3
192.00586	0.4
193.01376	0.6
193.04980	0.4
193.88730	0.3
195.06549	0.3
198.03409	0.3
199.03967	2.5
201.01894	1.1
201.05513	0.8
202.02524	0.3
203.03474	0.8
209.08057	0.3
211.03897	1.2
213.01883	0.5
213.05504	0.4
214.02666	0.3
215.03535	1.5
216.04272	0.7
217.01527	0.3
217.04977	0.4
226.02734	2.2
227.03491	8.1
228.04108	0.9
229.01254	0.4
229.05054	0.6
230.02217	0.3
231.03047	0.4
235.08360	0.3
240.04225	0.3
241.05026	0.5
242.02237	0.3
243.03001	7.7
244.03432	0.6
245.04585	0.6
254.02251	3.2
255.03006	11.1
256.03735	1.3
257.04620	0.5
269.04681	0.3
271.02527	58.2
272.03012	4.5
273.04001	0.9
283.02533	2.6
284.03302	7.9
285.04102	20.3
286.04459	1.5
289.07220	0.3
297.03918	0.5
299.02032	49.7
300.02777	48.1
301.03571	100.0
302.03946	6.3
309.03964	0.3
313.03616	2.1
323.05753	0.3
327.05109	0.5
329.03122	0.6
342.04010	0.3
343.04449	1.5
367.13977	1.4
401.12683	0.3
410.16693	0.3
447.09396	37.0
448.09726	3.1
462.08130	0.3
463.08951	0.7
489.10416	0.4
503.33960	0.4
621.69391	0.3
624.18738	2.9
625.19348	8.8
626.20032	1.2
651.16919	0.4
653.18811	1.6
654.18970	0.5
668.17334	0.5
669.06775	0.4
669.18335	8.5
670.18677	1.4
711.19049	0.6
771.25177	24.9
772.25598	4.8
814.45007	0.4
815.24127	34.4
816.24579	7.3
824.48138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01257	3.5
61.98718	0.8
69.48465	3.4
71.01270	3.9
73.02848	1.2
78.31595	0.5
78.95800	7.7
80.02584	0.7
80.96426	0.7
81.03341	0.7
83.01283	0.7
83.04918	3.7
84.02061	0.5
85.02853	0.9
87.00771	0.9
89.02360	1.6
95.01304	0.6
95.04948	0.5
96.96880	1.4
101.02364	3.5
113.02369	1.2
125.06017	0.8
135.08112	0.5
145.05016	0.5
152.99522	2.1
161.04507	1.3
163.11249	3.6
164.98521	0.4
165.12796	1.8
171.10199	4.5
181.12323	0.5
191.10759	0.5
207.10226	0.7
209.11826	100.0
210.12169	4.8
223.00171	0.5
225.11397	0.8
227.12871	12.5
228.13240	0.7
235.08264	3.9
236.79858	0.4
241.01170	3.5
253.09340	7.4
255.23315	3.9
270.27008	0.4
277.21783	82.3
278.22150	6.4
297.03879	0.4
326.61588	0.4
384.70581	0.4
445.20895	3.5
446.21289	0.7
446.55756	0.4
513.30920	1.3
541.18469	0.5
599.64136	0.5
725.39441	3.3
726.39429	0.7
755.74298	0.6
779.39844	0.8
797.41034	6.2
798.41052	0.7
815.42273	1.9
816.39905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24950	30.8
72.34000	16.8
79.74951	16.8
80.15453	15.4
80.96399	100.0
129.62605	16.0
167.54251	16.8
184.16650	17.6
339.07513	18.4
769.28052	24.3
815.49683	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.1
59.27687	0.1
61.98715	100.0
62.98414	0.2
66.09599	0.1
70.15982	0.4
78.95811	0.3
79.95625	0.2
80.96377	0.4
88.30186	0.1
94.98005	0.1
135.31287	0.1
151.42108	0.1
154.08884	0.1
171.10265	0.1
197.11780	0.1
203.81219	0.1
209.11868	0.4
210.12228	0.1
211.13382	0.1
309.20807	0.1
799.52875	0.1
818.49805	0.4
819.39001	0.3
819.53473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	100.0
67.18973	0.2
69.29065	1.7
71.38322	0.2
78.95792	0.2
136.25252	0.2
155.40718	0.2
171.81294	0.2
197.11781	0.2
197.35655	0.2
198.65363	0.2
329.17465	1.1
330.17871	0.5
487.34366	3.2
819.54089	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	819.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	3.6
57.22243	1.2
58.00483	1.6
59.01264	100.0
61.98707	3.0
63.59958	1.2
65.58829	1.4
69.03339	2.8
71.01269	45.9
71.56321	1.7
72.99190	4.0
73.02833	12.8
80.93615	1.2
82.85258	1.1
83.01284	8.3
85.02837	23.9
87.00769	5.9
89.02327	16.5
95.01263	4.1
95.04955	1.4
96.95926	12.5
97.02861	2.5
97.10638	1.4
98.95535	1.8
99.00771	3.5
101.02350	24.6
111.00811	1.7
112.98480	1.8
113.02354	26.1
119.03407	5.3
119.04922	4.5
124.01574	3.9
125.02365	13.5
129.01833	1.3
129.68217	1.3
135.04402	2.8
137.02356	3.0
143.03423	6.0
159.02872	1.8
161.04468	5.5
162.32018	1.3
163.04007	2.3
165.01871	1.3
171.10191	2.5
177.01878	1.8
178.99780	1.4
179.03430	1.9
195.24196	1.3
197.11804	2.4
202.86115	1.3
209.11809	15.9
211.13409	14.3
227.12788	4.2
235.40878	1.5
271.02527	2.4
289.07227	1.9
299.02029	7.2
300.02405	1.7
313.35446	1.5
333.43860	1.5
397.13559	7.1
467.30096	5.7
485.31067	3.3
608.13446	4.3
611.34412	29.4
612.34357	2.7
629.35553	53.1
630.35809	10.6
647.36633	17.3
648.37097	1.8
671.36646	17.6
672.36633	3.7
689.37683	27.2
690.38440	6.7
731.39111	3.0
732.39172	2.0
819.39301	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	819.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	100.0
62.98427	0.8
63.99147	0.6
67.88174	0.4
70.29179	0.4
71.44978	0.8
72.75587	0.4
77.00026	0.4
79.53299	0.4
80.96405	0.6
87.00763	0.4
96.56201	0.4
111.08055	1.3
169.12370	0.5
190.61934	0.4
192.96901	0.4
197.11780	3.5
219.10054	3.0
233.11569	1.3
278.52927	0.4
308.50418	0.5
309.20660	1.3
331.18930	2.1
487.34390	48.0
488.34653	6.2
819.40454	1.1
819.54065	33.4
820.54388	5.3
850.60736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
58.16610	0.6
59.01262	44.9
65.88686	0.6
69.10137	0.6
69.59163	0.6
71.01266	1.8
75.00758	1.0
79.95616	2.1
81.95195	0.9
83.01291	0.8
83.68493	0.6
85.02869	0.9
89.02345	1.8
93.03344	0.7
96.95911	40.9
97.02813	0.7
97.95847	1.3
98.95493	19.6
98.96294	2.9
99.04437	0.6
100.46122	0.6
101.02347	1.0
103.31709	0.6
109.02843	1.0
113.02347	0.7
117.42699	0.6
119.04959	1.3
125.02380	4.9
135.04422	1.0
137.02332	2.4
151.03925	2.0
160.01628	3.0
163.00148	0.7
163.03870	0.9
164.01160	0.7
165.01820	0.8
165.05544	1.0
167.03471	1.0
168.28947	0.6
177.01869	0.8
179.03418	1.0
180.07988	0.8
212.09827	0.7
223.09778	1.2
227.12874	0.6
241.05101	0.8
242.09418	1.0
245.08400	0.7
257.11838	1.2
260.07297	0.6
268.07635	0.6
270.09039	5.1
281.09369	0.6
283.10873	1.1
284.06894	2.1
285.11404	7.9
286.08789	1.2
286.11734	1.3
289.07199	1.5
295.10437	1.0
298.08542	4.1
299.09314	8.1
300.09921	0.9
301.10995	2.0
302.48816	0.6
309.07599	1.0
310.08536	1.8
311.09207	3.3
313.10913	3.6
314.07993	6.0
323.09488	1.7
324.10117	1.6
325.10815	3.6
326.07962	4.9
326.11771	2.6
329.10355	23.9
330.10797	1.6
339.12473	1.6
340.13135	2.5
341.10367	25.7
341.13956	1.4
342.10617	2.3
344.12695	32.7
345.13141	3.8
356.12698	22.6
356.17145	1.1
357.13132	2.4
359.15054	100.0
360.15494	8.1
371.15057	62.2
372.15427	4.1
389.16110	4.6
407.07709	0.7
469.17892	0.7
501.11969	0.7
569.23920	1.7
599.25079	98.4
600.25519	14.3
745.31049	2.4
789.29932	1.0
821.31903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.0
59.01266	29.7
67.01824	1.2
69.03326	1.8
71.01275	29.5
71.56866	1.1
71.57330	1.4
72.99204	5.8
73.02837	8.2
75.00779	3.2
80.04927	2.3
82.02852	1.7
83.01277	4.0
85.02840	9.7
87.00765	2.9
89.02332	9.5
94.02889	25.6
95.01283	3.2
96.04425	1.5
96.95916	3.8
97.02827	1.6
99.00787	2.7
99.04411	4.1
101.02352	10.7
106.06519	7.6
108.04480	6.2
109.02853	3.4
111.00766	1.9
113.02362	8.2
119.03438	2.8
120.04432	1.6
120.08115	4.8
121.02856	1.4
122.06049	6.6
124.03944	1.4
125.02384	12.9
132.04514	1.9
134.06053	52.7
135.02956	3.3
135.04436	3.9
135.06398	2.1
136.03992	7.0
136.07590	2.8
137.02385	5.5
138.05544	9.0
139.00319	1.8
146.06049	1.7
148.07600	2.7
149.02382	3.9
150.03180	4.1
150.05537	3.3
151.00308	4.8
152.07101	11.2
158.02417	4.2
160.04053	2.0
161.02400	3.0
161.04637	2.5
163.03932	1.5
165.01907	9.0
165.05499	4.7
166.02676	7.1
175.03947	1.3
176.03435	2.1
176.48576	1.2
177.01932	2.9
177.05553	1.8
179.03464	4.6
180.04182	6.1
181.05074	8.8
190.05089	14.2
191.03488	2.7
192.04260	2.9
192.06607	2.9
193.05020	2.0
194.05809	2.0
195.06506	8.2
197.10786	1.6
203.03508	4.2
206.08318	2.0
207.06607	2.2
209.08257	2.2
210.15741	1.2
218.05826	2.7
219.62842	1.4
221.04422	1.9
221.10788	8.7
223.08754	2.7
225.07933	1.8
225.10213	2.7
227.11955	1.5
235.08859	2.9
236.06862	5.0
236.09181	1.7
237.10297	3.5
238.11153	2.0
239.11893	4.0
243.11478	2.8
248.09526	1.5
249.06673	3.6
249.10239	7.4
250.07144	1.7
251.08844	5.5
251.11946	6.5
255.02908	1.4
261.10297	3.5
262.07327	1.3
263.08298	4.9
263.11948	3.7
264.09030	7.8
265.09833	9.6
275.08374	1.7
276.09048	3.7
277.09927	14.1
278.10577	3.7
279.11414	18.5
283.10956	1.7
285.12476	1.6
289.07184	2.8
289.10040	1.7
290.10522	1.7
291.11438	8.5
292.11987	1.7
293.09509	1.4
293.12854	2.5
296.11533	2.6
297.12546	1.4
302.09955	1.3
303.13544	2.4
304.08600	1.4
305.09375	22.5
306.09805	1.9
307.10925	3.6
309.08795	2.5
311.10522	3.1
314.12933	1.9
316.02225	1.3
316.14627	5.2
317.09470	3.0
323.10483	3.0
325.12042	1.4
334.15659	2.3
335.10333	1.8
337.08530	1.9
337.11981	8.1
340.14536	2.1
345.14670	1.9
349.12347	1.7
355.09271	2.0
358.11441	1.4
358.15775	4.2
360.13678	2.8
370.15640	2.6
372.17236	2.5
373.13120	2.1
384.17401	3.4
386.18985	3.3
387.11896	4.8
388.16940	1.4
396.13297	1.9
397.14276	1.4
402.14249	2.4
407.07391	1.7
410.15231	3.2
411.15897	2.2
412.16687	2.8
414.14786	2.1
424.16708	2.2
426.18372	3.1
430.17807	3.3
433.15115	2.5
452.16440	2.9
453.21216	3.5
470.17188	2.2
471.17844	2.7
472.18738	3.6
490.20264	1.7
517.17908	1.7
549.21698	1.6
569.31885	1.4
591.22809	1.5
592.23151	4.3
599.24658	1.5
604.23328	2.3
605.24078	1.9
632.22583	7.9
633.23535	3.4
659.23584	28.4
660.24048	4.2
664.25250	100.0
665.25415	19.2
687.26794	10.5
688.27094	1.9
729.27734	22.0
730.28119	4.6
753.27686	2.5
761.30511	87.2
762.30865	15.7
771.28900	25.4
771.42096	2.4
772.29132	5.2
785.30432	6.3
786.30884	1.5
789.30267	8.7
803.31586	43.0
804.31708	7.3
821.30505	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	821.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
58.00492	0.7
59.01259	5.6
61.98717	2.9
64.84013	0.2
66.04751	0.2
69.03344	0.8
71.01267	5.4
72.99194	0.3
73.02843	1.3
78.95778	0.4
79.95621	0.4
80.96407	0.9
82.95979	0.4
83.01277	0.5
83.04897	0.4
85.02830	1.4
87.00771	1.0
89.02334	3.9
93.06977	0.2
95.04923	0.6
96.95900	2.0
97.02881	0.2
97.06501	0.3
97.89451	0.2
98.20678	0.5
99.01973	0.3
101.02338	4.7
109.06516	0.6
111.08059	8.1
113.02352	2.6
113.09633	0.5
119.03437	1.0
121.10123	0.2
125.02382	0.4
125.09655	0.2
127.07578	1.0
130.09482	0.2
139.11180	0.2
143.03400	0.6
145.68407	0.2
151.11230	0.7
153.12793	1.0
161.04492	3.1
165.12830	0.3
167.10698	0.6
169.12280	3.8
171.10214	0.8
179.05563	1.2
179.10780	0.4
179.14429	0.9
181.12247	1.4
182.19446	0.2
183.13875	0.6
193.12271	0.3
195.13875	7.8
196.14368	0.8
197.11801	44.0
198.12158	1.8
199.13393	2.6
205.12306	0.5
209.11723	0.4
211.13374	8.1
221.11874	0.3
223.13394	5.1
227.12932	0.8
228.13646	1.0
235.08276	2.4
253.09311	32.3
254.09618	1.3
256.13165	1.0
263.20203	3.8
264.20462	0.3
265.18094	0.9
265.21780	0.4
273.18631	0.8
275.20190	5.4
276.20483	0.4
283.60553	0.3
289.18207	0.4
291.19714	14.8
292.20071	1.8
293.21274	100.0
294.21616	7.3
309.20758	62.6
310.21088	4.6
372.91129	0.3
433.20911	0.6
492.21964	0.3
527.28473	0.4
529.30475	1.1
536.92023	0.3
545.29688	2.0
561.72064	0.2
585.41730	3.1
586.41479	0.4
821.42627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
59.01027	0.6
59.01264	5.8
59.35829	0.5
60.82607	0.5
61.98716	3.5
67.12907	0.5
69.03323	0.6
71.01270	6.0
71.57169	0.6
73.02832	1.4
77.16297	0.6
78.95781	0.6
80.96404	1.5
85.02842	1.6
87.00761	0.9
89.02332	3.4
95.04935	0.6
96.95910	1.6
97.02877	1.1
98.33434	0.6
99.00801	0.8
101.02345	4.1
111.08076	4.7
113.02350	2.3
119.03394	0.9
125.09609	0.6
143.03424	0.7
161.04494	2.0
163.05043	0.6
165.12772	1.4
169.12291	2.2
171.10185	1.3
179.14365	1.6
181.12279	1.7
183.13831	1.1
193.12283	0.6
195.13881	8.2
197.11810	21.3
197.30737	0.6
198.12154	1.2
199.13432	1.1
205.12234	0.9
211.13380	6.4
212.13803	0.6
221.15335	0.7
223.13377	6.1
227.12872	0.8
228.13725	0.7
235.08218	2.4
247.20679	1.8
253.09311	28.3
254.09680	1.6
256.13068	1.0
263.20041	2.8
265.13513	0.6
273.18619	1.7
275.20239	5.7
277.21829	1.1
291.19727	29.5
292.20035	3.3
293.21283	100.0
294.21570	7.9
309.20764	70.1
310.15436	0.6
310.21106	5.5
529.30573	1.9
545.29645	1.7
555.35028	0.6
585.41663	2.1
821.42340	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	821.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
58.00498	0.5
59.01260	5.2
61.09499	0.2
61.52258	0.2
61.98721	2.1
64.95609	0.1
69.03358	1.0
71.01270	5.1
72.99199	0.3
73.02463	0.2
73.02822	0.9
80.96405	0.4
83.01281	0.5
83.04919	0.6
85.02849	1.2
87.00774	1.0
89.02338	4.0
91.03911	0.2
93.07030	0.2
95.01286	0.4
95.04900	0.5
96.95917	0.8
97.02852	0.5
97.06490	0.4
99.00796	0.4
101.02345	4.4
109.06524	0.6
111.08066	9.3
112.08471	0.3
112.19491	0.2
113.02363	2.6
113.09634	0.3
119.03407	1.1
123.08063	0.3
125.02349	0.4
125.09637	0.4
127.07584	0.5
132.40640	0.2
137.09648	0.3
140.38589	0.2
141.09160	0.5
143.03438	0.7
145.05109	0.2
151.11200	0.6
153.09119	0.4
153.12807	0.8
155.10658	0.2
161.04524	2.9
165.12750	0.2
167.10735	0.5
169.10838	0.2
169.12280	3.8
171.10262	0.3
177.12808	0.5
179.05594	0.8
179.10739	0.5
179.14346	0.8
181.12289	1.1
183.13834	0.6
193.12320	0.2
195.13889	7.8
196.14420	0.6
197.11809	45.3
198.12152	2.1
199.13374	2.5
200.13792	0.2
203.75459	0.2
205.12332	0.9
205.15926	0.5
209.11789	0.3
211.13385	7.4
212.13565	0.3
223.13394	5.5
224.13847	0.4
227.12836	1.4
228.13535	1.0
231.21248	0.4
235.08263	2.7
247.20731	0.5
249.15016	0.8
249.22054	0.2
253.09320	30.0
254.09647	1.3
256.13196	1.2
263.20178	2.3
264.20465	0.3
265.18112	1.3
265.21957	0.3
273.18796	1.0
275.20197	6.1
276.20508	0.4
291.19727	15.5
292.19989	1.4
293.21286	100.0
294.21609	7.6
294.24155	0.2
309.20767	58.1
310.21085	4.3
411.44678	0.2
433.20853	1.0
466.20801	0.2
492.22330	0.4
527.28650	0.7
529.30359	1.0
545.29797	2.3
546.30341	0.3
585.41736	2.8
586.41980	0.4
821.41431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	0.6
59.01262	14.1
61.98713	0.6
69.03346	2.9
71.01268	13.1
71.01672	0.7
71.57218	0.7
72.99210	0.9
73.02837	1.5
78.95798	0.6
81.03377	0.7
83.01285	2.6
83.04915	1.3
84.02048	0.4
85.02837	11.2
85.58704	0.4
86.03193	0.4
87.00774	1.5
89.02335	11.5
90.18893	0.4
90.44686	0.4
91.03892	0.6
92.42297	0.5
94.94215	0.4
95.01289	0.8
95.04933	1.5
96.95913	0.7
97.02851	3.0
97.06483	6.7
99.00798	1.0
101.02345	11.1
110.65352	0.4
111.08092	0.5
113.02359	6.6
119.03433	3.0
123.08055	2.7
125.02362	2.1
125.09640	29.3
126.09969	1.0
127.11212	1.8
133.04982	0.6
134.03789	0.4
134.39690	0.4
137.09644	3.5
143.03442	1.1
155.10735	2.2
155.14378	0.4
161.04514	4.0
163.11295	0.5
165.12801	0.8
167.10768	0.5
169.08644	0.6
171.10219	33.9
172.10550	1.1
177.12810	1.0
179.05550	1.9
181.12311	0.6
183.13924	2.8
185.11819	0.8
187.09717	14.4
188.09964	0.5
193.12325	0.7
195.13872	1.3
195.29092	0.4
197.11830	1.4
201.09190	0.4
201.11270	1.7
203.10753	0.8
209.10092	0.4
209.11804	1.8
211.13390	14.6
211.41631	0.4
212.13744	0.6
221.06845	0.5
221.11856	2.6
227.12848	1.1
229.14456	11.0
230.14842	0.6
235.08252	8.8
239.12904	1.8
247.20787	1.0
253.09325	34.2
254.09708	1.6
255.23323	15.8
256.23602	1.2
273.18784	0.5
277.21780	74.2
278.22162	6.2
291.19702	8.0
293.21231	5.9
295.22769	1.8
309.20773	26.8
310.21323	2.3
311.22369	4.7
312.22629	0.6
327.21826	100.0
328.22165	7.5
351.21863	0.8
397.13666	1.5
415.14725	0.6
545.29865	4.2
546.30542	0.6
563.30792	7.7
564.31287	1.0
585.24365	0.5
587.43640	2.9
588.43732	0.5
823.47113	40.5
824.47333	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	823.523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.0
59.35093	0.3
61.98730	0.3
66.25259	0.3
69.03346	1.0
70.86342	1.1
71.01273	0.7
73.13992	0.3
80.96400	0.6
83.04913	1.0
87.41467	0.3
93.03329	0.5
94.36144	0.3
95.04928	1.4
97.06484	0.4
109.06466	0.9
111.08060	15.8
113.09618	0.9
119.04937	0.4
123.08083	0.4
125.09649	0.4
135.11713	0.8
137.09633	2.1
139.11188	0.8
147.87451	0.4
149.09628	1.1
151.07573	0.8
151.11221	0.7
152.08319	0.4
153.14951	0.4
161.09682	0.5
164.01134	0.4
165.12808	0.9
167.10738	3.2
169.12280	0.6
171.10168	0.4
177.12817	2.7
179.10716	3.1
179.14304	0.5
181.12335	0.8
191.10754	0.4
195.13889	9.7
196.14238	0.5
197.11755	0.8
203.14345	0.4
209.11816	4.0
209.15373	0.5
223.13403	1.1
247.20714	3.6
248.21136	0.7
273.18600	2.7
277.21750	1.3
291.19711	100.0
292.20044	7.7
309.17426	0.8
309.20734	5.0
638.33405	0.4
823.40637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.4
59.01259	8.0
63.59682	0.3
69.03335	0.9
70.29507	0.3
71.01266	7.8
71.87458	0.3
72.99203	0.6
73.02847	2.1
75.16714	0.3
78.95789	0.5
79.13206	0.2
81.03326	0.5
83.01269	1.6
83.04910	0.8
84.02033	0.3
85.02344	0.5
85.02834	6.4
87.00762	2.1
89.02326	4.6
91.03899	0.4
95.01292	0.6
95.04932	0.9
96.95901	1.2
97.02851	1.5
97.06490	3.1
97.30587	0.3
98.20541	0.9
99.00753	0.9
101.02338	7.4
102.32150	0.2
103.03912	0.5
111.00723	0.3
111.04383	0.4
113.02343	3.8
117.47323	0.3
119.03397	1.6
119.08557	0.3
124.73264	0.3
125.02348	0.8
125.09624	1.1
127.11205	1.2
129.15334	0.3
131.03439	0.3
133.04956	0.9
137.09644	1.2
143.03413	1.0
143.29932	0.3
145.05009	1.5
152.91632	0.3
155.10709	1.1
157.04994	0.6
161.04491	3.2
165.12767	1.3
167.14333	0.7
171.10223	14.2
172.10516	0.6
177.12778	1.0
179.05569	1.1
181.12257	0.5
183.13885	3.4
185.11781	1.0
193.12328	1.2
195.13933	0.7
197.11754	1.0
201.11272	0.6
203.10678	0.5
209.11752	1.4
211.13379	15.1
212.13675	0.4
221.11810	2.5
227.12785	0.4
229.14433	9.6
230.14738	0.5
233.22757	0.5
235.08235	17.4
236.08614	0.7
239.12903	1.6
247.20787	0.4
253.09308	27.5
254.09659	0.6
255.23341	0.3
275.20111	0.4
277.21765	100.0
278.22134	7.0
291.19687	7.0
292.20160	0.8
293.21194	0.5
295.22858	2.6
309.20749	16.5
310.20969	1.0
311.22452	0.7
327.21817	76.0
328.22177	4.9
351.21820	0.5
372.08899	0.3
469.33188	0.5
470.33521	1.4
471.34589	1.0
513.30768	0.7
545.29700	2.8
563.31006	3.2
564.31335	0.4
587.43054	2.0
597.23407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56575	0.4
59.01262	4.3
67.01770	0.7
69.03342	1.0
69.81390	0.4
70.33294	1.9
71.01279	1.0
71.04873	0.5
78.95790	6.3
80.02557	1.4
81.03348	4.7
83.01270	9.2
83.04908	3.8
93.03345	0.7
95.04930	3.6
97.02856	4.2
97.06483	8.6
104.00246	0.4
106.04159	1.0
107.04958	0.8
108.02068	0.6
109.02869	0.5
109.06490	2.6
110.03657	1.1
111.08044	0.8
113.06008	0.9
119.08578	1.0
121.02867	0.5
121.06503	2.6
121.10129	0.7
123.04443	7.0
123.08039	3.4
125.06028	1.3
125.09646	13.8
127.07582	0.7
131.04913	0.5
134.03552	0.5
135.08067	3.0
137.05975	1.3
137.09659	7.9
139.11160	0.5
141.12819	2.2
142.02640	0.9
149.06004	1.6
149.09666	1.2
151.11201	1.1
152.99548	1.5
160.08806	0.5
161.09610	1.4
162.10451	1.0
163.07605	1.4
163.11232	14.1
164.11641	0.7
165.09175	0.9
165.12782	2.7
167.10725	2.2
168.04263	1.5
171.10188	1.2
173.09746	0.6
177.12859	0.9
179.10736	1.7
181.12299	3.3
185.11797	13.0
189.12866	0.6
191.10794	5.2
191.14384	14.3
195.10158	0.5
207.10254	8.9
209.11815	77.8
210.12158	3.2
211.13387	1.3
217.15985	1.9
224.07007	1.0
225.11310	7.1
226.11942	1.0
227.17984	0.7
233.22839	0.5
237.11470	0.6
238.12184	0.5
242.08005	2.5
243.17505	1.1
245.19135	28.1
246.19444	2.3
247.17012	1.0
261.18594	0.6
263.20206	2.5
265.18091	0.7
271.17099	3.1
277.21774	90.6
278.22137	6.1
279.19690	1.1
287.16504	0.7
289.18158	92.4
290.18420	5.9
307.19208	100.0
308.19565	6.7
502.29517	45.9
503.29639	4.6
594.52869	0.6
765.44324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57697	0.4
59.01266	3.2
61.98712	6.6
69.03352	0.7
69.37407	0.9
69.37828	2.4
71.01270	0.8
78.95794	7.6
83.04939	0.9
88.98723	1.2
93.03392	0.7
95.04932	1.1
96.96866	1.7
97.06490	0.6
98.19855	0.8
101.02353	0.4
109.06525	0.8
111.08064	14.2
113.09663	0.6
113.34863	0.4
123.08034	0.4
125.00015	1.1
125.02403	0.4
133.10269	0.4
135.11719	0.5
137.09662	1.1
141.09019	0.4
149.09714	0.9
151.01617	0.8
151.02979	0.3
152.99530	3.7
153.00618	0.4
167.10707	3.0
168.04343	0.6
171.10167	0.5
177.12843	3.0
179.10760	2.8
181.12317	0.5
193.15979	0.5
195.13892	9.6
196.14212	0.4
197.11847	0.6
203.14331	0.9
209.11816	0.7
211.13405	0.6
223.13432	0.9
224.06856	0.4
242.08002	1.5
247.20706	3.0
273.18661	2.1
277.21683	0.4
279.23340	45.7
280.23676	3.6
291.19708	100.0
292.20044	6.5
309.20715	1.5
433.23596	1.3
459.25122	1.2
460.26019	0.8
485.32538	0.7
503.30368	0.5
504.31082	13.5
505.31464	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	3.1
61.98718	5.8
63.02291	1.4
63.37700	0.5
65.00211	2.2
69.84905	1.8
69.85320	1.1
71.01266	2.2
73.02836	1.0
73.36594	0.4
78.95799	0.6
83.01280	2.7
85.02831	0.7
87.00755	0.8
89.02371	0.8
90.05836	0.6
93.03383	1.1
96.95941	0.9
101.02359	0.9
107.01281	6.5
108.02074	0.5
109.02876	2.1
113.02353	1.1
119.04978	0.9
121.02855	3.4
124.01521	0.7
125.02362	2.9
133.02893	1.7
134.03671	0.9
135.02924	0.6
135.04434	1.6
137.02382	1.5
147.00732	0.6
147.04424	0.5
148.01578	0.7
149.02393	1.5
150.03111	0.6
151.00308	23.6
152.00929	0.8
153.01920	1.0
163.00288	2.3
163.03935	1.0
164.01073	1.3
165.01895	2.0
169.01376	2.2
171.04506	1.4
175.00313	1.5
175.03937	0.7
178.99832	7.8
179.03455	1.1
183.04376	0.9
187.03932	1.1
189.01903	1.1
190.02644	0.7
191.00090	0.7
191.03433	0.6
193.01361	1.2
199.03831	3.1
203.03497	1.8
215.03470	2.2
216.04221	0.8
218.12003	0.5
226.02705	4.0
227.03514	5.2
241.17790	0.6
242.02226	0.8
243.03023	9.8
245.04445	1.0
254.02316	2.9
255.03015	4.8
256.03552	0.7
271.02539	72.4
272.03058	5.9
275.09314	1.0
282.79141	0.7
283.02646	1.3
285.04074	1.7
287.02008	3.4
297.04025	0.7
299.02036	60.4
300.02792	54.5
301.03580	100.0
302.03897	6.0
313.03741	2.7
315.01691	3.2
316.02341	3.3
317.03033	2.2
329.03131	1.0
343.04636	1.6
352.21066	0.6
463.08917	35.6
464.09003	2.6
519.33484	4.5
520.33844	4.5
561.34485	2.2
562.34436	1.7
578.66382	0.6
624.18506	2.4
625.19531	11.1
626.19678	1.2
651.16980	1.3
669.18408	15.9
670.18872	2.3
711.19952	0.9
787.24609	22.2
788.25067	3.4
831.23688	34.6
831.47815	1.6
832.24109	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.0
63.96117	0.4
71.01265	1.2
71.43437	0.7
71.78750	0.3
73.97584	0.4
78.95792	74.4
78.98466	0.8
79.95625	4.4
80.96403	10.5
82.62903	0.3
87.00761	0.4
92.92722	0.4
94.97997	2.5
96.96862	16.4
97.02838	0.4
116.97163	0.4
122.97464	0.4
125.02379	0.4
134.97504	0.8
134.98468	0.9
141.01620	2.3
142.57666	0.3
148.99098	0.5
152.99525	17.2
163.54501	0.3
164.98552	1.1
179.59325	0.3
210.88768	0.3
223.00128	6.3
223.02097	0.7
225.00842	1.8
241.01205	26.3
242.01508	0.5
255.23332	44.1
256.23654	3.4
259.02274	2.3
276.58603	0.4
277.21780	26.3
278.22119	1.6
297.03992	1.8
305.02402	0.7
315.04971	0.9
318.68793	0.4
387.02902	0.4
391.22614	7.0
392.22885	0.6
413.21146	1.1
553.27997	4.9
554.27802	0.5
571.29285	0.7
575.26306	0.8
819.15833	0.5
831.50348	100.0
832.50623	18.4
832.66602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.9
60.99184	0.8
62.28369	0.2
69.03321	0.5
69.51263	0.3
69.51664	1.5
71.01282	0.9
71.04903	0.9
73.02840	0.4
80.47626	0.2
83.01264	0.3
83.04906	0.4
85.02843	2.3
87.00760	0.3
96.59512	0.2
96.95897	0.8
97.02883	0.3
97.06487	0.6
97.07050	0.2
98.19762	0.3
99.00746	0.3
111.00748	0.2
112.98714	0.4
115.00237	0.5
117.72887	0.2
119.04949	0.2
119.08549	0.3
123.04368	0.2
125.02341	0.6
125.09615	0.4
127.11182	0.5
135.02873	0.4
137.02371	0.3
137.09627	0.6
142.99768	0.6
150.03163	0.2
161.02316	0.2
171.10211	6.3
172.10588	0.2
174.01591	1.0
175.02493	1.0
177.12584	0.2
183.13860	0.7
185.11722	0.3
193.12376	0.2
203.10574	0.2
209.11786	3.6
210.12088	0.2
211.13376	6.4
211.15396	0.3
212.13731	0.4
216.92445	0.2
221.11835	0.6
227.12874	0.5
229.14453	3.1
239.12985	0.5
291.19714	0.8
300.02869	0.2
309.20773	0.4
317.67816	0.2
319.24286	0.9
325.20093	0.4
327.21808	45.5
328.22122	3.7
351.27014	0.3
369.27936	0.4
373.28793	0.3
389.27240	0.3
401.27167	0.5
413.27191	0.2
460.52164	0.2
485.32910	0.7
503.33856	100.0
504.34204	14.0
505.34418	0.3
687.02661	0.3
831.35864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00510	0.2
59.01260	1.1
61.98710	0.2
62.68898	0.2
67.00344	0.2
69.03341	1.0
71.01272	1.8
71.58179	0.3
72.99193	0.2
73.02802	0.3
75.26768	0.2
80.02554	0.2
81.03328	0.2
83.01261	0.4
83.04910	0.7
84.02061	0.3
85.02837	5.5
87.00771	0.3
88.98711	0.2
89.02341	0.4
91.59348	0.2
93.03361	0.3
95.04939	0.6
96.95908	0.9
97.02857	0.8
97.06482	2.4
99.00790	0.4
101.02345	0.6
108.02110	0.2
109.02848	0.5
109.06475	0.6
110.03651	0.3
113.02354	0.6
115.00259	0.1
119.04929	0.3
121.02811	0.2
123.04453	0.4
123.08086	0.3
125.02362	1.8
125.09654	1.0
127.11172	0.9
135.02908	0.2
135.04480	0.2
135.08060	0.2
137.02370	0.6
137.09624	1.1
149.02477	0.2
149.45599	0.2
150.03128	0.2
151.00276	0.3
151.03983	0.4
155.10716	0.6
161.02443	0.2
163.00371	0.2
163.11226	0.5
164.01106	0.3
165.01973	0.4
165.12779	0.6
167.03430	0.3
167.10727	0.2
167.14359	0.5
171.10214	14.1
172.10641	0.3
177.02052	0.2
177.12794	0.6
178.99908	0.2
179.03366	0.2
181.12329	0.5
183.13857	2.2
185.11784	0.9
193.12321	0.6
197.11769	0.4
199.13402	0.3
200.10567	0.2
201.11296	0.5
203.07083	0.3
205.05038	0.2
207.10255	1.5
209.11824	3.2
210.12088	0.2
211.13380	13.6
212.13705	0.5
212.35834	0.2
221.11783	2.2
222.12143	0.2
225.11256	1.3
227.12811	0.8
229.14452	10.3
230.14699	0.6
239.12836	1.6
243.12363	0.4
247.20631	0.3
262.49783	0.2
289.07230	1.1
291.19708	2.3
309.20700	0.5
325.20221	1.4
327.21826	100.0
328.22153	8.7
329.22452	0.4
397.13504	0.5
401.43359	0.2
407.07986	0.3
415.14838	0.2
493.15143	0.8
494.15115	0.2
503.33429	0.2
504.34119	0.5
505.34256	1.0
623.25854	0.2
692.51178	0.2
815.37482	0.3
833.37775	1.0
834.38672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.1
59.87686	0.1
61.98714	100.0
62.98413	0.2
62.99134	0.1
71.01270	0.2
71.58264	0.1
77.30345	0.1
78.95795	0.1
80.96395	0.1
85.02847	0.1
88.25912	0.1
91.97464	0.1
96.95924	0.1
97.02868	0.1
101.02363	0.1
113.02393	0.1
116.92776	0.1
117.32252	0.1
125.02380	0.2
137.02458	0.1
157.11281	0.0
158.48163	0.1
171.10254	0.1
209.11812	0.3
210.12190	0.1
211.13477	0.1
239.32840	0.1
307.19406	0.1
326.10123	0.1
397.13202	0.1
590.09308	0.1
834.38861	0.1
835.38696	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	28.1
65.92709	0.8
69.71153	2.8
69.71585	2.8
71.01274	17.1
72.99206	1.9
73.02843	2.3
73.10426	0.8
75.00742	1.3
75.88609	0.8
77.21140	0.8
77.61621	0.9
78.88213	0.8
79.41817	0.8
80.04941	1.8
83.01302	1.7
83.04907	1.1
85.02840	5.7
87.00779	1.3
89.01823	1.3
89.02338	14.1
93.03329	0.9
94.06490	0.8
95.01284	2.0
96.95910	5.9
98.20463	0.9
99.00742	0.9
101.02348	10.1
104.04945	1.0
106.06538	5.6
109.02852	1.1
110.01153	0.8
113.02343	6.6
115.00247	1.1
119.03373	4.0
119.04852	1.0
121.02792	0.8
122.06005	7.4
123.04401	1.8
125.02350	7.2
132.04471	1.5
134.06056	24.4
135.02951	1.5
135.04433	1.1
136.07605	1.6
137.02306	1.9
147.04376	1.2
148.03929	1.2
148.07626	0.8
149.02409	0.8
150.05542	1.4
151.00299	3.5
151.03967	0.9
152.01074	2.0
152.07132	5.7
160.03949	1.3
160.06401	1.6
161.04544	0.8
163.03870	0.9
163.11230	1.0
165.01947	1.4
165.05508	1.0
167.03386	1.5
169.01485	0.9
174.05659	1.1
177.01892	1.9
178.99854	2.1
180.06575	2.2
186.05551	1.1
188.07159	1.2
190.05081	2.0
209.09915	1.3
209.11821	20.2
210.12146	1.3
211.08727	1.0
213.10341	7.1
223.08823	0.9
223.12209	0.9
225.07675	0.8
225.10291	3.4
226.11272	1.7
226.61383	0.9
227.13016	5.6
235.08649	2.1
237.10336	1.9
239.11902	6.6
241.13654	4.2
243.03072	1.1
249.10303	2.7
250.07500	1.7
251.08284	3.2
251.11954	2.4
252.09027	1.6
253.09846	4.1
259.02423	1.1
262.07516	1.7
263.08258	3.6
264.08957	1.0
265.09863	4.2
266.10507	1.8
267.11417	2.3
271.02475	1.2
277.09833	5.9
278.07187	1.7
278.10641	4.7
279.07788	4.8
279.11389	6.5
285.12485	8.9
287.02072	1.3
289.07208	1.5
291.07660	1.1
291.11462	1.3
292.08600	2.7
292.12030	1.3
293.09436	9.4
293.12637	1.8
294.10208	1.9
295.10941	5.7
301.03647	2.1
305.09344	2.9
306.10092	1.6
307.10757	5.1
309.09052	1.1
309.12427	2.3
314.12891	1.2
315.01328	4.6
316.02100	1.7
321.08829	3.0
321.12622	1.2
333.08609	1.1
337.08408	1.8
337.11990	1.1
339.09882	4.0
340.14627	1.3
342.12488	1.1
351.09897	3.2
356.14178	1.1
357.15063	1.1
358.15503	3.9
370.11642	1.0
370.15704	1.7
372.17288	1.9
384.13327	1.8
384.17798	1.1
386.19177	1.4
397.13522	4.0
398.14948	2.1
400.16650	6.0
401.16788	1.0
410.14938	1.6
412.16721	3.3
414.18613	1.2
424.17093	1.2
425.17337	1.2
458.17264	1.5
468.16046	1.7
476.18570	1.1
486.16785	4.1
504.18225	1.1
620.22192	2.1
624.13422	3.9
636.25195	0.9
638.23529	7.0
648.21796	3.8
649.22656	2.5
665.23151	1.1
666.23126	25.5
667.23767	4.2
680.24377	3.1
698.25439	1.6
712.27753	10.4
713.27301	2.0
727.29724	6.4
759.32623	1.6
763.22626	1.0
771.28979	55.9
772.29510	9.0
791.31152	1.7
803.31604	100.0
804.31976	24.9
835.34369	22.1
836.34814	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	835.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.5
59.01266	9.3
66.15652	0.1
67.01736	0.1
68.99710	0.1
69.03334	0.4
69.35463	1.1
71.01270	8.4
71.04884	0.1
72.99203	0.7
73.02831	1.2
75.00758	0.2
80.02573	1.5
81.03350	1.8
83.01277	1.3
83.04913	5.8
84.02063	1.0
84.05235	0.1
85.02842	2.0
87.00772	2.1
89.02337	7.5
93.03354	0.3
95.01277	0.5
95.04907	1.0
97.02847	1.1
97.06474	0.3
98.19792	0.2
99.00782	0.5
101.02350	5.9
109.02850	0.2
109.06487	0.3
111.00807	0.2
111.04413	0.3
111.08063	0.2
113.02357	3.5
119.03415	1.7
121.02908	0.1
123.04428	0.2
123.08052	0.1
125.02372	2.7
125.05991	0.6
125.09615	0.4
126.02676	0.1
127.46101	0.1
131.03426	0.3
133.04979	0.2
135.04472	0.1
135.08081	0.8
137.02408	0.2
139.03951	0.3
140.38348	0.1
141.01913	0.2
143.03439	1.3
147.11745	0.2
149.04526	0.2
161.04501	1.7
163.11235	4.4
164.11551	0.3
165.12808	2.6
166.13063	0.1
167.03448	0.3
171.10243	0.8
179.05589	2.1
181.12305	0.6
191.10757	1.2
199.06129	0.3
199.13249	0.2
207.10214	0.1
209.11821	100.0
210.12154	4.9
217.07222	0.4
221.06725	0.7
221.11778	0.2
225.11215	0.1
227.12894	14.4
228.13211	0.7
233.11748	0.2
235.08247	2.5
247.13393	0.6
251.12909	0.4
253.09319	0.4
259.08267	0.2
263.07709	0.2
265.14392	0.2
287.02328	0.1
287.07797	0.8
305.08853	0.9
323.09946	0.4
379.12564	2.6
397.13593	18.9
398.13855	1.2
401.23312	0.2
415.14670	4.9
416.14853	0.3
419.24271	0.2
528.20502	0.1
556.97290	0.2
589.25024	0.5
607.26312	1.2
608.26050	0.2
773.36285	0.2
781.34912	0.1
799.37415	0.6
800.38031	0.2
817.38696	0.3
835.39612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00243	0.1
58.00454	0.5
58.53650	0.1
59.01262	7.9
60.01598	0.1
61.41389	0.1
61.98721	0.1
67.01791	0.1
68.20206	0.1
69.03329	0.6
69.36817	1.0
70.85188	0.1
71.01267	8.7
71.04906	0.3
72.99200	1.0
73.02836	1.2
75.00763	0.2
80.02566	1.4
81.03345	1.8
83.01272	1.0
83.04912	5.4
84.02058	1.0
84.05246	0.1
85.02840	2.0
87.00764	1.8
89.02335	7.4
90.02681	0.1
91.03902	0.1
91.44061	0.1
93.03357	0.4
95.01286	0.7
95.04916	0.9
96.95918	0.6
97.02850	1.1
97.06457	0.3
99.00782	0.4
101.02342	6.3
106.04187	0.1
109.02854	0.3
109.06499	0.3
111.00777	0.1
111.04429	0.2
111.08038	0.1
113.02357	3.6
115.03908	0.2
119.03416	2.1
121.02868	0.2
121.06495	0.1
123.00790	0.2
123.04409	0.1
123.08030	0.2
124.01553	0.2
125.02365	3.2
125.06002	0.7
125.09605	0.2
126.02639	0.1
127.11237	0.1
131.03409	0.3
135.02907	0.2
135.04401	0.1
135.08070	0.9
137.02379	0.2
139.03944	0.3
139.07590	0.1
141.01842	0.2
143.03441	1.3
147.11746	0.2
149.04465	0.2
150.03171	0.1
151.00331	0.2
151.03908	0.1
156.23479	0.1
161.02423	0.1
161.04509	1.5
163.03879	0.1
163.11237	4.4
164.11531	0.2
165.01909	0.1
165.12811	2.6
166.13052	0.1
167.03439	0.3
169.04970	0.2
171.10207	0.8
178.99808	0.2
179.05576	2.0
181.12343	0.6
185.04512	0.2
185.11787	0.2
191.10748	1.1
195.06532	0.1
199.13347	0.3
203.03519	0.1
209.11812	100.0
210.12154	6.2
211.13235	0.1
217.07161	0.3
221.06683	0.7
223.13419	0.2
227.12885	15.7
228.13234	0.9
229.14391	0.1
231.03090	0.2
235.08243	2.5
243.02982	0.2
245.06606	0.1
247.13387	0.6
251.12976	0.6
253.09328	0.4
259.02579	0.2
259.08224	0.2
263.07880	0.2
265.14484	0.3
271.02542	0.2
287.02167	0.8
287.07785	0.7
289.07266	0.2
305.08865	1.0
315.01511	1.8
316.02194	0.7
323.09943	0.4
339.09689	0.1
379.12549	2.6
380.12817	0.2
397.13577	19.0
398.13913	1.5
401.23242	0.2
413.17932	0.1
415.14651	5.6
416.14944	0.4
419.24503	0.1
428.62762	0.1
437.25311	0.1
589.25079	0.5
607.26245	1.3
608.26532	0.2
623.12921	0.2
624.13373	1.2
625.13843	0.2
773.35645	0.2
799.37762	0.4
800.38300	0.2
803.29669	0.1
817.38727	0.2
835.25427	0.2
835.39136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03679	2.2
59.01267	85.8
65.08819	1.2
69.30116	2.0
69.30522	7.9
71.01274	24.1
72.99199	2.1
73.02838	12.7
81.03336	1.7
83.01303	5.0
85.02842	4.9
89.02343	22.4
95.01282	1.5
97.48517	0.9
97.75327	1.0
98.12379	0.8
99.04420	100.0
100.04742	1.8
101.02351	49.2
113.02360	11.5
113.05981	1.6
119.03417	7.0
123.04451	6.5
125.02373	40.7
131.03447	2.2
140.01123	0.9
141.05565	2.4
143.03455	8.5
149.04539	5.6
151.00304	1.7
161.04510	9.6
179.03551	0.8
179.05562	4.1
187.04027	1.6
221.06635	3.2
226.25891	1.0
227.03517	19.9
228.03915	1.2
229.05055	3.2
238.89282	0.9
255.03044	27.4
256.03531	3.4
257.04681	1.3
261.13406	4.2
271.02573	1.0
284.03326	28.0
285.04114	25.9
286.04300	2.0
303.14490	9.0
343.17697	5.1
405.17737	82.5
406.17972	8.3
431.09973	36.5
431.14944	0.6
431.16028	1.3
432.10687	2.3
642.33752	1.2
799.13458	1.1
837.30670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	35.8
60.99186	5.9
71.01264	12.8
71.56480	1.9
72.99187	2.3
75.00790	1.8
80.04920	1.6
83.01294	2.6
85.02855	4.8
85.14374	1.8
87.00741	2.5
88.98696	30.0
89.02328	13.3
94.02895	2.6
96.95911	4.1
97.02860	1.4
101.02353	8.2
106.06544	3.7
108.04474	2.1
113.02351	6.2
119.03411	3.7
119.04916	1.4
122.06030	5.2
124.03959	3.7
125.02369	3.1
132.04440	1.4
134.06050	18.7
135.02904	3.7
135.04466	2.2
136.03987	4.0
137.02400	5.9
138.05551	3.8
146.05499	1.3
149.02339	1.7
150.03163	2.8
150.05553	4.0
151.00238	2.4
152.07094	2.4
153.09125	2.1
158.89218	1.6
163.03941	2.6
165.01888	32.9
166.02295	2.7
167.03458	2.3
168.06575	1.9
175.25311	1.5
178.99779	2.9
179.03477	10.9
180.04256	22.6
181.04742	1.4
190.04996	2.6
190.69244	1.8
195.06606	30.7
201.10361	7.4
210.05299	4.9
213.10330	3.2
225.07712	16.9
225.09920	2.5
227.11905	3.2
229.09760	9.2
229.13506	2.4
237.10500	1.8
239.11948	3.1
241.09914	1.7
247.88586	1.6
253.09624	1.7
255.11377	3.1
257.13019	2.6
265.09900	2.4
267.11548	2.5
277.09793	2.3
301.11972	8.3
313.11276	2.0
319.13049	20.9
327.12991	2.9
329.10049	2.0
333.15524	3.1
337.12067	2.2
344.12891	3.1
359.15244	7.2
371.15070	4.5
374.15009	3.5
387.12344	1.9
392.15970	3.1
416.16321	4.0
432.15656	4.3
434.17181	3.9
446.17343	3.6
460.14813	1.7
478.16611	2.0
485.77182	1.7
517.19177	2.1
537.21008	2.2
567.22345	17.2
568.22937	3.0
581.24341	1.8
597.23663	1.7
615.24536	33.2
616.24939	6.5
624.45142	1.7
657.26202	2.2
680.24597	2.1
761.30853	3.7
777.30212	2.6
780.19226	1.6
787.28412	3.5
805.29584	100.0
806.29797	23.0
837.32172	40.4
838.33105	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	837.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.1
59.01539	0.3
61.98718	0.7
69.03345	0.8
69.57864	0.4
69.58277	1.1
71.01266	4.7
72.99172	0.3
73.02834	1.2
80.02585	0.2
81.03383	0.3
83.01300	0.5
83.04919	0.7
85.02844	1.3
87.00773	1.0
89.02342	3.0
95.01300	0.3
95.04922	0.3
96.95922	0.6
97.01875	0.2
97.02844	0.8
97.06484	0.5
99.00774	0.4
101.02341	4.7
109.02430	0.2
109.06512	0.9
111.08065	14.0
112.08411	0.3
112.12476	0.2
113.02339	2.1
119.03413	0.7
125.02379	0.4
125.09628	0.3
127.07574	1.4
133.04977	0.2
137.09677	0.3
141.09134	0.3
143.03418	0.3
145.04976	0.3
149.09595	0.2
151.11229	0.7
153.09164	0.5
153.12807	1.2
153.33940	0.2
161.04471	2.2
163.11278	0.3
165.12819	0.7
167.10738	0.4
169.12283	6.2
171.10233	0.6
179.05559	0.7
179.10776	0.7
181.12308	1.3
183.13860	0.9
185.11703	0.2
193.12273	0.8
195.13971	0.3
197.11806	74.4
198.12167	3.2
199.13371	4.0
209.11871	0.5
211.13377	11.2
212.13626	0.5
227.12881	2.7
229.19528	0.4
235.08211	2.5
247.16977	0.2
247.20758	0.5
249.15010	0.3
253.09328	21.4
254.09749	0.9
263.20190	4.0
265.18201	2.0
273.18723	1.3
276.28397	0.2
291.19727	24.2
292.20065	2.2
293.21127	0.4
309.20770	100.0
310.21136	7.7
310.24008	0.2
433.20908	1.4
527.28528	0.8
545.29877	3.1
546.30072	0.5
601.41156	1.9
602.41516	0.4
703.89490	0.2
837.49475	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.9
61.98715	2.6
69.03333	0.9
70.73174	0.3
70.73510	0.5
71.01267	1.4
71.04928	0.2
72.99194	0.2
78.95786	0.5
83.01272	0.3
83.04912	0.5
85.02825	0.4
89.02343	0.8
93.03392	0.3
93.31310	0.2
95.04929	0.2
96.95911	2.2
97.02888	0.5
97.06500	0.7
101.02330	1.3
103.05352	0.2
105.65942	0.2
107.04900	0.5
109.06528	0.5
111.08066	1.5
113.02357	0.6
119.03391	0.3
119.08559	0.4
119.37856	0.2
123.08051	0.6
125.09634	1.8
127.07539	0.4
127.35415	0.2
135.08122	0.3
137.09666	1.4
145.51111	0.2
149.09627	0.3
151.11186	1.0
152.99481	0.7
153.09120	0.4
153.12784	0.3
161.04506	0.4
163.11198	1.5
165.09148	0.7
165.12784	2.0
169.12239	0.7
171.10211	1.9
177.12816	0.8
179.10683	0.3
181.12277	1.9
183.13872	0.4
185.11627	0.3
191.14369	0.3
193.12346	0.6
195.13943	0.6
197.11819	12.0
198.12051	0.5
207.10214	0.6
209.11879	1.0
211.13399	2.3
213.14917	1.8
217.15897	0.4
220.14674	0.4
221.11874	0.7
223.13492	0.3
225.14926	0.7
229.19705	0.3
235.08237	0.8
239.12897	1.0
240.13490	0.3
241.14526	0.4
247.20735	0.9
249.14886	0.3
253.09290	5.7
253.14635	0.3
254.09723	0.4
263.20197	0.8
273.18655	2.5
275.20453	0.3
277.21783	24.4
278.22137	1.7
289.18216	0.4
291.19733	20.8
292.20084	1.5
293.21194	1.6
305.21283	1.9
307.19128	1.0
308.19943	1.9
309.20764	5.7
310.20932	0.4
323.22336	100.0
324.22690	7.0
325.20349	0.8
327.21866	0.3
527.28650	0.3
837.50238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	47.7
68.58408	1.8
69.49628	11.6
69.50037	3.6
69.50206	2.2
71.01263	29.8
72.99172	2.3
73.02818	4.7
73.18913	2.1
82.02873	3.3
85.02826	6.6
87.00784	2.4
88.65531	2.0
89.02331	18.1
94.02882	31.3
95.01276	3.6
95.68444	2.1
97.46053	1.9
101.02318	11.9
104.04982	2.1
106.06512	6.8
108.04421	2.3
113.02341	6.9
119.03427	7.2
120.08101	26.7
122.06025	7.7
132.04445	2.7
133.88991	2.0
134.06039	45.7
135.02896	2.3
138.05528	8.6
149.83244	2.2
150.05547	3.0
152.07100	10.5
158.02411	2.0
164.61409	2.2
178.73660	1.9
190.05014	5.2
223.08766	6.3
225.10370	5.3
227.11723	2.5
235.08717	2.6
236.09569	3.0
237.10390	8.0
239.11893	12.0
243.63075	2.2
251.08224	5.3
251.11952	8.6
263.08276	7.3
263.11880	2.4
264.09134	13.4
265.09836	9.7
265.13327	1.8
276.09308	5.1
277.09967	11.5
278.10608	5.9
279.11426	40.9
280.12094	5.2
281.13052	5.0
291.11392	13.6
292.12177	6.6
293.12897	3.1
295.11130	2.3
300.02859	5.6
305.09299	3.3
307.10980	2.8
323.10367	5.3
324.11227	6.2
325.11975	2.3
337.12051	3.2
370.15686	3.5
384.17352	3.4
386.19055	2.6
388.16528	2.1
398.18820	3.5
401.21204	2.6
402.14511	2.3
426.18460	4.0
444.19449	7.0
445.19580	2.8
447.09296	8.4
453.17105	2.5
460.18536	2.9
462.20486	3.2
471.17892	3.8
472.19083	4.4
473.19632	3.2
490.19916	10.7
606.24689	4.4
623.24567	2.3
650.23517	6.8
651.24390	8.4
670.12994	2.1
682.26379	17.3
683.26501	3.8
747.29065	23.4
779.31464	41.9
780.31018	9.5
789.30322	22.7
807.31006	100.0
808.31262	16.3
821.32471	18.3
822.33069	6.2
839.33746	70.3
839.49744	4.0
840.33759	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	839.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	47.7
68.58408	1.8
69.49628	11.6
69.50037	3.6
69.50206	2.2
71.01263	29.8
72.99172	2.3
73.02818	4.7
73.18913	2.1
82.02873	3.3
85.02826	6.6
87.00784	2.4
88.65531	2.0
89.02331	18.1
94.02882	31.3
95.01276	3.6
95.68444	2.1
97.46053	1.9
101.02318	11.9
104.04982	2.1
106.06512	6.8
108.04421	2.3
113.02341	6.9
119.03427	7.2
120.08101	26.7
122.06025	7.7
132.04445	2.7
133.88991	2.0
134.06039	45.7
135.02896	2.3
138.05528	8.6
149.83244	2.2
150.05547	3.0
152.07100	10.5
158.02411	2.0
164.61409	2.2
178.73660	1.9
190.05014	5.2
223.08766	6.3
225.10370	5.3
227.11723	2.5
235.08717	2.6
236.09569	3.0
237.10390	8.0
239.11893	12.0
243.63075	2.2
251.08224	5.3
251.11952	8.6
263.08276	7.3
263.11880	2.4
264.09134	13.4
265.09836	9.7
265.13327	1.8
276.09308	5.1
277.09967	11.5
278.10608	5.9
279.11426	40.9
280.12094	5.2
281.13052	5.0
291.11392	13.6
292.12177	6.6
293.12897	3.1
295.11130	2.3
300.02859	5.6
305.09299	3.3
307.10980	2.8
323.10367	5.3
324.11227	6.2
325.11975	2.3
337.12051	3.2
370.15686	3.5
384.17352	3.4
386.19055	2.6
388.16528	2.1
398.18820	3.5
401.21204	2.6
402.14511	2.3
426.18460	4.0
444.19449	7.0
445.19580	2.8
447.09296	8.4
453.17105	2.5
460.18536	2.9
462.20486	3.2
471.17892	3.8
472.19083	4.4
473.19632	3.2
490.19916	10.7
606.24689	4.4
623.24567	2.3
650.23517	6.8
651.24390	8.4
670.12994	2.1
682.26379	17.3
683.26501	3.8
747.29065	23.4
779.31464	41.9
780.31018	9.5
789.30322	22.7
807.31006	100.0
808.31262	16.3
821.32471	18.3
822.33069	6.2
839.33746	70.3
839.49744	4.0
840.33759	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	839.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.6
61.98716	0.7
65.73209	0.3
69.03328	1.0
71.01273	5.2
71.04897	0.4
71.06210	0.9
73.02814	0.6
83.01268	0.8
83.04912	0.8
85.02836	5.2
87.00761	0.8
89.02333	3.8
95.01259	0.7
95.04926	0.7
96.95908	1.2
97.02841	0.5
97.06499	2.5
98.13198	0.3
99.00767	0.5
101.02347	4.8
104.11835	0.3
111.08092	0.5
113.02361	3.1
119.03376	1.5
125.02309	0.5
125.09630	0.9
127.11210	1.1
131.03418	0.5
133.05019	0.4
137.09637	0.8
143.03413	0.6
145.04977	0.8
155.10690	1.1
161.04480	3.0
163.11200	0.3
165.12793	0.9
167.10678	0.4
167.14311	0.4
171.10217	12.6
177.12794	0.7
179.05580	0.7
179.14319	0.6
181.12320	0.5
183.13924	2.3
184.14383	0.4
185.11792	0.8
193.12346	0.9
195.13889	7.9
196.14450	0.9
197.11807	0.4
199.13312	0.3
201.11304	0.4
203.10733	0.6
205.12302	0.6
205.15906	0.6
209.11859	1.6
211.13379	13.7
212.13705	0.7
221.11751	2.6
223.13414	5.0
227.12859	0.6
228.13652	0.6
229.14442	9.7
231.21179	0.5
235.05846	0.4
235.08235	7.5
236.08389	0.5
239.12875	2.0
247.20685	0.4
253.09319	35.6
254.09702	1.3
256.13342	0.8
275.20212	5.7
291.19754	4.5
292.20041	0.5
293.21283	100.0
294.21609	6.8
309.20758	5.8
310.20908	0.5
327.21823	71.5
328.22198	5.3
431.53122	0.3
492.21869	0.4
529.30231	2.4
530.30591	0.5
535.64496	0.4
545.30127	1.9
563.30719	5.8
564.31201	0.9
603.42725	4.4
604.42999	0.7
697.22528	0.4
839.51050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01287	0.9
69.41617	0.6
69.41964	3.8
71.01259	2.9
71.04948	0.9
73.02886	0.7
80.02625	0.7
81.07036	0.4
83.04904	2.9
84.01682	0.4
84.02132	1.4
85.02898	0.9
88.98707	0.4
93.19109	0.3
95.04999	1.1
97.06550	1.3
97.45967	0.4
98.19826	0.8
99.04437	0.7
99.08116	1.5
108.02095	0.5
109.06541	1.0
111.08125	0.7
112.05254	0.7
115.07635	1.3
121.02962	0.5
125.02421	0.5
125.06038	0.4
125.09641	3.0
127.07576	9.2
127.11295	0.5
135.02974	0.4
135.08118	1.0
137.02428	0.6
137.09634	0.5
138.06818	0.5
139.07581	2.3
141.09149	0.6
141.12843	0.5
153.09145	6.0
153.13043	0.4
155.10741	2.1
163.11215	2.4
165.12881	1.4
171.10211	6.4
174.69151	0.4
178.09964	2.7
181.12360	0.9
185.11797	11.0
186.12320	0.4
191.10733	0.9
191.14420	1.5
197.11812	10.6
197.13544	0.6
207.10318	0.6
209.11816	48.5
210.12138	2.2
225.11098	0.4
227.12924	0.6
236.10687	1.1
238.12112	3.6
245.19127	2.4
251.16530	0.6
251.20264	0.4
253.18269	0.7
255.12662	0.5
256.13232	2.1
263.20325	1.1
265.18182	0.7
279.19711	0.7
289.18176	7.9
290.18552	0.5
307.19211	68.8
308.19543	5.0
325.20251	100.0
326.20609	6.4
346.04489	0.4
409.51761	0.4
517.26086	0.4
517.31897	4.5
518.31848	0.8
735.71753	0.4
756.95758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01002	0.8
59.01263	12.4
65.00199	0.7
68.45408	0.5
69.41890	2.5
69.42313	2.0
71.01278	3.2
73.02837	0.8
76.52226	0.5
83.01267	0.8
85.02869	1.0
96.95918	0.9
99.04415	13.6
101.02350	5.1
107.01253	1.5
108.02089	0.7
109.02849	1.4
113.02321	1.2
121.02834	1.8
125.02354	6.8
135.00856	0.5
135.04456	0.8
143.03494	0.6
148.01578	0.9
149.05945	0.5
151.00319	6.3
161.04454	1.4
163.00313	2.0
164.01086	0.9
165.01709	0.5
178.99826	3.4
186.67871	0.5
201.01773	0.5
201.05534	0.7
211.04024	0.6
216.04262	0.8
226.02748	1.0
227.03481	2.0
243.02957	5.7
254.02217	1.2
255.03026	18.1
256.03400	1.0
269.10355	2.1
271.02527	36.0
272.02939	2.9
273.03769	0.8
283.02573	0.9
299.01965	2.0
300.02792	68.0
301.03543	35.7
302.03827	1.8
311.11304	2.7
351.14578	0.9
367.02765	0.6
413.14600	11.8
414.14987	0.7
433.07806	100.0
434.08133	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	849.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.2
71.01270	0.1
73.02832	0.1
78.95776	0.3
79.95623	2.9
85.02802	0.1
96.95909	100.0
97.95860	0.3
101.02338	0.1
113.02286	0.1
113.92525	0.1
114.93293	0.2
125.02370	0.2
137.02374	0.1
150.03223	0.1
165.01903	0.1
177.01851	0.1
209.11917	0.1
219.42976	0.1
229.53720	0.1
253.61356	0.1
305.06592	0.1
308.93307	0.1
503.33899	0.7
504.34183	0.1
545.35339	0.1
587.10406	0.1
849.37024	0.1
861.00568	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.0
65.00186	1.1
69.03354	2.3
69.66993	6.8
71.01260	4.3
73.02824	1.4
75.00766	1.1
78.41146	1.0
81.03348	3.9
82.45367	0.9
83.01272	8.3
89.02322	3.2
90.40884	1.0
93.03347	3.8
93.20792	0.9
95.01329	2.5
95.04916	5.2
96.95874	2.2
97.02845	6.7
99.04407	1.4
101.02341	2.4
107.01280	1.5
107.04942	1.2
108.02069	3.0
109.02865	22.5
119.04922	1.3
121.02862	6.2
122.03720	1.4
123.00807	0.9
123.04443	17.0
124.01631	1.2
125.02365	59.8
126.02741	1.2
131.04887	1.2
133.02872	2.7
135.00816	2.9
135.02933	2.2
135.04428	3.3
137.02373	35.4
139.03922	3.2
145.02887	2.6
146.03734	1.3
147.04460	1.4
149.02373	6.0
150.03120	1.3
151.00288	3.4
151.03961	13.7
157.06577	1.8
159.04457	3.8
160.05217	1.1
161.02385	5.0
161.06042	5.9
162.03156	2.3
163.00314	25.0
163.03955	3.7
164.01096	17.3
165.01895	14.8
167.02194	1.2
167.03415	6.0
169.06583	0.9
171.04457	1.4
173.02357	1.0
173.06094	2.5
174.03116	1.7
175.03914	5.7
175.07619	3.0
177.01904	10.0
177.05518	1.0
178.02220	1.0
178.99849	2.3
179.03448	9.7
181.04965	1.3
183.04465	2.4
185.06059	4.8
187.03931	8.7
188.04845	4.6
189.05481	2.7
191.03548	1.3
197.05986	2.1
199.03947	2.7
199.07709	1.0
201.05566	8.0
202.06244	2.7
203.03360	2.2
203.07091	12.6
205.01424	2.6
205.05019	8.1
207.14302	0.9
211.04047	4.7
212.04747	3.4
213.05524	10.4
214.02672	1.6
215.03499	4.1
217.05034	4.1
217.08664	1.1
221.08142	1.3
223.03981	3.6
224.04628	1.4
225.05598	5.1
226.02737	1.5
227.03497	11.2
227.07071	2.1
228.04161	3.2
229.05087	10.0
230.05725	1.9
231.03058	1.2
231.06558	1.8
233.06383	1.0
235.03914	1.8
236.04427	1.5
238.02675	1.0
239.03590	2.9
240.04309	5.0
241.05083	36.0
242.05544	2.3
243.02992	4.8
245.04431	1.9
245.08246	14.9
247.06059	1.7
249.05466	1.2
250.06522	1.0
251.03508	10.2
252.04149	2.6
253.05101	5.6
255.03036	17.5
255.06734	1.4
256.03702	3.8
257.04520	13.3
258.05142	1.3
259.05984	1.7
261.05640	1.3
263.03687	1.2
263.07083	1.2
264.04395	2.5
265.05087	2.1
266.05594	1.3
267.03012	4.5
267.06628	1.8
268.03809	2.4
269.04614	32.4
270.05066	2.5
271.02512	3.0
271.06131	2.5
273.03580	1.3
275.07129	1.4
277.05063	1.5
278.05911	1.3
279.02982	10.3
279.06332	2.0
280.03778	3.2
280.80453	0.9
281.04617	14.0
282.01733	1.2
282.05313	1.5
283.02460	1.5
283.05960	1.2
284.03430	8.4
285.04047	4.0
289.07254	100.0
290.07733	6.2
291.06696	2.0
292.07462	1.2
293.04648	1.9
295.06171	2.0
296.03375	2.1
297.04102	39.7
298.04449	2.5
300.02631	3.8
301.03546	3.7
303.06619	2.3
305.04758	1.8
307.06223	3.8
309.04156	7.6
310.04892	2.1
311.10406	2.6
316.02158	2.0
317.03024	1.0
317.04507	1.0
319.06287	2.9
321.07684	3.2
327.05167	1.5
329.04565	1.5
331.06119	3.5
333.07693	1.8
334.04965	1.4
335.05524	1.3
337.07224	1.5
339.08847	1.3
346.04852	4.2
347.05640	3.6
347.17120	1.6
349.07196	5.2
359.05640	3.0
361.07233	4.0
363.05130	1.6
363.09106	1.6
365.06723	3.0
371.05609	1.0
375.05142	12.4
377.06693	4.1
379.08496	2.2
381.06015	1.5
383.07840	1.1
387.05042	2.2
387.11996	3.5
389.06735	3.0
391.08231	2.4
393.06265	9.6
395.07797	4.2
399.05115	2.4
405.06241	9.3
406.06525	1.6
407.07870	18.6
417.08417	16.9
418.08603	1.2
423.07275	11.7
424.07422	1.2
425.08981	7.3
426.08807	1.3
435.07291	89.2
436.07642	8.8
447.08405	1.4
463.09021	4.5
464.09070	1.5
467.28262	2.3
475.10297	1.2
499.10654	1.5
517.11469	2.4
525.08154	1.6
543.09637	8.4
561.10547	47.6
562.11011	4.9
569.10968	1.4
573.10248	3.6
587.11877	1.5
677.12823	1.7
689.21204	1.4
699.13708	8.4
700.14063	1.8
725.15173	5.9
833.17609	2.3
851.16602	9.1
852.18726	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	852.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
62.98420	0.2
63.99157	0.1
71.58222	0.3
80.96450	0.2
96.95911	2.1
97.26679	0.1
110.38954	0.1
171.10289	0.2
209.11934	0.3
279.15115	0.1
289.18332	0.3
307.19043	0.2
454.55209	0.1
487.34753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	1.6
69.34067	6.4
71.01273	5.6
72.39804	0.6
73.02806	1.1
75.85032	0.7
83.01296	1.0
85.02827	1.1
89.02335	6.8
101.02344	2.5
106.12563	0.5
107.01274	3.1
109.02856	1.9
112.05143	0.6
113.02370	1.8
119.03384	1.5
121.02834	2.4
125.02371	3.6
135.00739	0.9
148.01572	1.2
151.00291	11.7
163.00272	2.4
163.11197	2.9
167.30621	0.6
169.01372	0.7
178.99821	6.9
181.10805	1.1
181.12306	15.7
181.55899	0.6
192.99626	3.3
211.03999	1.3
224.22302	0.7
224.57347	0.6
225.11317	36.9
226.02643	1.0
226.11700	2.1
227.03551	1.5
229.05020	1.0
243.02985	5.4
245.04533	1.7
254.02228	1.6
255.03004	17.3
256.03452	1.6
257.04456	0.7
271.02521	30.2
272.02924	2.9
273.03873	0.8
283.02463	1.7
299.01773	1.0
300.02798	69.8
301.03558	55.9
302.03873	3.9
319.02850	2.7
324.05823	0.8
390.34888	0.7
405.17715	81.9
406.06119	1.8
406.18030	5.5
447.09384	100.0
448.09689	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	855.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21563	1.1
70.86422	3.1
71.01280	9.1
72.99216	1.3
75.00784	2.4
80.24947	1.1
85.02855	2.9
86.52454	1.0
87.00757	7.7
88.98687	1.2
89.02335	5.7
94.06542	1.1
99.00752	1.2
101.02365	3.7
106.06520	2.4
108.04452	4.9
110.06039	3.6
113.02361	1.8
119.03425	1.6
119.04942	2.5
121.02849	1.3
121.05277	2.8
122.06036	14.1
125.02365	2.5
134.06050	25.1
135.02933	3.5
135.04497	2.2
135.06825	4.6
136.03975	2.1
136.07617	7.2
138.05501	2.5
139.06320	1.3
140.07111	32.3
144.04498	1.6
146.06070	3.5
148.07707	1.8
149.04781	9.5
150.05576	5.7
151.00345	3.9
152.07120	5.4
157.86060	1.1
160.04051	2.0
161.04785	2.9
162.05544	20.9
163.06285	2.9
164.03464	8.6
164.07118	15.1
165.01823	2.4
166.04980	5.7
167.05788	4.0
172.04008	4.3
173.04776	1.8
173.07283	1.5
174.05606	2.6
175.06302	1.5
176.07169	1.9
178.99899	1.7
179.03438	1.5
186.05621	1.0
190.05005	2.0
195.06680	1.7
202.12349	1.1
204.06656	7.0
211.08751	3.5
212.05934	9.1
212.09392	2.1
213.10381	1.4
223.08757	1.0
224.07660	1.1
224.09535	3.7
225.06805	3.5
225.10356	4.2
227.08440	1.1
227.11942	2.2
229.10028	6.4
231.11395	1.4
236.09483	2.1
237.08040	2.5
237.10384	7.7
238.07593	4.3
238.11105	1.3
239.08270	14.2
239.11963	2.8
240.09079	4.8
241.09822	2.4
243.03198	1.3
243.11464	1.4
249.10315	1.5
251.08231	4.9
251.12000	4.2
252.09196	8.8
252.12846	3.6
253.06261	15.4
253.09918	23.0
253.13637	2.5
254.10577	3.4
255.03122	1.3
255.11400	9.4
257.09363	12.4
259.10895	1.4
261.12555	12.2
265.06287	4.7
265.09860	3.7
266.07016	8.9
267.07806	16.4
267.11462	16.6
268.08679	9.1
268.12027	8.4
269.09406	1.3
269.12872	1.2
270.10281	3.2
271.02524	2.8
271.10971	2.5
273.12531	2.9
275.14175	1.9
277.09882	2.7
279.07864	9.8
279.11374	2.8
280.08612	33.9
281.09351	27.4
282.09940	3.8
283.10968	10.3
284.08044	2.8
284.13153	1.9
285.08969	3.2
285.12488	21.7
286.12930	1.4
287.05606	2.2
293.09515	2.2
294.09943	1.2
295.10947	100.0
296.11652	31.0
297.12491	16.1
298.09625	1.8
299.10507	5.7
300.02820	3.9
300.11191	2.8
301.03680	2.2
301.11981	3.3
302.12631	3.1
303.13589	82.9
304.13916	6.2
311.10480	3.1
313.12073	4.6
316.02249	1.4
321.09055	2.5
327.09875	2.4
327.13559	25.7
328.10669	3.2
328.14117	1.9
339.09946	19.0
340.10580	3.7
341.11459	5.0
371.12515	20.4
372.12903	2.0
373.14322	3.3
390.14713	3.0
392.12552	1.2
404.16214	4.4
406.14120	5.8
407.14877	3.0
420.15683	3.6
422.16861	1.4
434.13129	2.3
434.18192	1.5
435.17920	2.8
436.19122	2.4
440.05933	2.4
448.15341	2.6
462.05359	2.0
463.09006	8.8
463.16519	2.6
465.18988	14.0
466.16302	2.4
479.16940	2.7
480.18002	1.5
483.19928	8.9
511.19717	1.9
521.06696	2.2
557.24445	2.8
601.23169	27.5
602.23669	3.2
633.25830	31.2
634.26416	3.3
698.25189	1.5
699.27362	1.2
737.27679	1.4
761.30518	5.2
779.31879	4.7
805.29559	53.9
806.30084	9.6
823.30646	88.0
824.30817	14.0
837.32141	29.6
838.32831	4.2
855.33356	40.8
856.33588	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	855.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64886	0.5
61.49596	0.6
61.98714	26.2
69.03313	2.1
71.00908	0.6
71.01269	8.4
71.56704	0.7
72.99183	0.9
73.02820	1.8
79.95621	0.8
80.96407	0.8
83.01254	1.6
83.04922	1.1
85.02361	0.7
85.02847	7.7
87.00777	2.4
88.98647	0.6
89.02325	5.0
91.03900	0.8
94.97926	0.6
95.04936	1.1
96.95909	10.9
97.02832	2.8
97.06495	3.0
98.95496	1.4
99.00757	0.6
101.02341	8.2
111.08064	9.4
113.02361	4.2
119.03403	1.4
119.08584	0.9
123.04433	0.6
123.08083	0.7
125.02342	0.9
125.09605	2.0
127.07579	1.4
127.11182	1.6
137.09628	2.0
141.09082	0.6
143.03384	0.7
145.05022	0.9
151.11153	1.2
153.12721	1.0
155.10704	1.4
161.04529	3.5
163.11211	0.7
165.12805	2.6
167.14362	1.0
169.12297	3.7
171.10214	24.8
172.10463	0.7
172.19652	0.6
177.12804	1.5
179.05508	1.8
181.12311	1.8
183.13861	3.1
185.11778	1.4
193.12332	1.5
193.65700	0.6
197.11800	43.4
198.12114	1.9
199.13362	2.9
201.11292	0.8
209.11804	3.6
211.13382	22.7
212.13676	1.1
221.11809	3.5
223.13458	0.6
227.12842	2.2
229.14458	12.5
235.08243	10.0
236.08466	0.6
239.12878	2.7
247.20662	2.6
253.09319	41.6
254.09625	1.6
263.20203	2.5
265.18066	0.7
273.18726	1.6
283.12979	0.5
291.19720	26.9
292.20047	2.1
293.21289	2.1
309.20767	100.0
310.21130	6.7
327.21820	97.8
328.22217	6.8
343.21371	1.7
367.16754	1.1
384.54205	0.5
445.20978	0.5
487.34363	5.9
499.95599	0.7
527.28925	1.0
545.29749	8.3
545.93994	0.5
563.30835	6.0
564.31000	0.8
619.42249	5.0
620.42456	0.9
795.23737	0.7
855.32318	0.8
855.51251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05616	0.2
64.18513	0.3
65.00211	0.3
69.61845	0.3
71.01257	1.3
71.96606	0.3
72.99203	2.2
75.00764	27.3
81.83373	0.3
85.02879	0.3
87.00772	0.7
87.98769	0.3
89.02340	4.8
95.01310	0.4
104.93946	0.3
107.01310	0.6
107.36243	0.3
109.02858	0.5
117.01872	1.8
121.02892	0.5
123.86942	0.3
124.08755	0.2
125.02480	0.2
135.02922	100.0
136.03278	1.5
151.00320	2.3
159.04482	0.5
163.00285	0.5
172.05260	2.9
173.06046	0.7
178.99869	1.4
183.04497	1.3
184.05276	0.3
187.04004	0.9
187.07617	22.7
188.07907	1.4
199.03986	2.2
200.04790	1.1
201.05588	0.8
202.06346	1.7
204.04338	0.4
211.03955	0.6
211.07677	0.4
213.09229	3.3
215.03725	0.3
215.07153	5.0
227.03500	3.8
228.04274	2.0
229.04933	0.4
229.08714	2.2
231.06747	1.7
231.10263	5.1
232.04106	0.3
232.10654	0.3
243.03014	1.4
254.02238	0.5
255.03038	4.7
256.03485	0.4
257.08234	28.0
258.08453	2.1
271.02554	10.5
272.02908	1.0
275.09326	8.9
276.09756	0.4
284.94992	0.3
300.02829	20.2
301.03534	9.9
302.03793	0.7
316.02222	1.2
349.09329	0.9
393.07794	0.2
393.11975	15.2
394.12363	2.1
463.08951	28.2
464.09094	3.5
465.09445	0.5
686.82861	0.4
854.41406	0.3
880.74933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	66.8
68.71926	12.6
96.95908	13.2
98.20596	21.0
116.92756	100.0
118.31107	13.5
125.02373	13.9
127.88602	14.5
144.61977	13.0
177.17656	11.4
197.11830	45.0
198.27238	12.9
241.10838	28.9
253.09332	36.7
282.07971	12.6
293.21313	70.9
294.42487	12.7
305.69644	12.9
309.20895	65.1
331.00473	12.6
351.32654	13.9
391.11676	12.5
596.49872	13.1
857.48328	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.5
69.56441	1.4
75.18502	0.2
88.44669	0.2
96.95906	0.5
98.19810	0.3
116.92771	1.1
214.46378	0.2
216.13542	0.2
245.18092	0.3
247.55371	0.2
260.61108	0.2
303.45767	0.2
487.34375	100.0
488.34723	12.3
743.19122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92252	3.3
71.01248	4.5
74.13924	4.3
74.26006	3.7
78.11074	3.5
98.19781	12.0
103.00224	4.2
105.93482	4.2
116.92763	12.4
158.91220	4.1
161.04422	4.7
171.10239	11.2
185.34503	3.6
211.13295	6.2
229.53522	4.2
235.08217	36.0
253.09387	31.1
277.21771	100.0
278.22165	6.6
309.20767	18.2
327.21838	70.5
328.22202	4.6
335.99030	4.7
513.30798	8.6
514.11182	3.7
516.19708	4.0
545.29608	12.7
563.30865	9.4
697.81335	5.5
705.50946	5.3
757.75433	4.5
823.51996	13.1
859.49683	49.3
860.49969	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	863.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35069	0.1
65.75055	0.1
71.01267	0.1
73.02819	0.1
78.95790	0.3
79.95627	3.3
83.01292	0.1
87.00775	0.1
89.02320	0.1
96.95911	100.0
97.95854	0.3
101.02347	0.2
114.93304	0.2
119.04948	0.2
125.02357	0.2
133.02840	0.1
135.02934	0.1
141.01631	0.1
150.03166	0.1
151.00299	0.1
152.01010	0.1
153.01929	0.1
163.03905	0.1
170.19048	0.1
229.18195	0.1
248.70978	0.1
313.06281	0.1
359.14984	0.1
371.14841	0.1
468.54214	0.1
469.29742	0.2
517.31763	0.7
518.32104	0.1
529.31598	0.1
717.24988	0.1
863.29889	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	0.2
68.95303	0.2
68.99725	0.3
69.03345	1.0
70.81803	0.4
71.01269	18.5
72.01581	0.2
72.99193	1.7
73.02839	2.9
75.00742	0.3
75.40481	0.1
80.02569	0.9
80.96420	0.2
81.03352	2.0
83.01271	2.2
83.04913	5.1
84.02081	0.7
85.02843	4.2
87.00771	4.3
89.02338	13.8
93.03362	0.3
95.01283	1.5
95.04932	0.7
97.02852	3.2
99.00774	1.1
99.04385	0.2
101.02345	13.8
102.02676	0.2
109.02888	0.4
109.06496	0.3
111.00798	0.3
111.04431	0.5
113.02356	7.0
114.02657	0.2
115.03936	0.4
119.03425	3.4
121.02858	0.3
123.00746	0.2
124.01572	0.2
125.02365	6.3
125.06021	0.7
127.03930	0.3
131.03473	0.8
133.05006	0.4
135.08107	0.6
139.03934	0.6
141.01802	0.6
143.03433	2.5
145.02957	0.2
145.04971	0.4
149.04478	0.6
161.04495	3.0
163.11229	4.3
164.11479	0.2
165.12799	2.4
167.03455	0.4
169.05054	0.2
171.02945	0.2
179.03783	0.2
179.05556	3.5
181.12296	0.7
185.04475	0.2
191.10762	1.1
199.06104	0.4
209.11816	100.0
210.12149	5.4
217.07191	1.0
219.05139	0.3
221.06697	1.3
227.12888	13.2
228.13260	0.7
235.08238	5.4
236.08493	0.3
237.22252	0.2
245.06651	0.3
251.12910	0.2
253.09331	0.9
255.23328	55.9
256.23645	4.2
259.08255	0.4
263.07773	0.6
269.24915	0.6
287.07791	1.5
291.19708	0.4
293.21375	0.1
297.24457	0.4
305.08899	1.8
306.09256	0.2
323.09891	1.2
361.11844	0.3
379.12534	8.8
380.12674	0.7
397.13580	38.4
398.13931	2.7
415.14633	7.9
416.14828	0.5
432.67673	0.2
589.24786	0.5
607.26434	1.0
635.36700	0.6
653.37714	1.9
654.37921	0.4
863.50262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36454	0.4
61.42231	0.5
65.00206	0.9
67.01793	0.6
70.86204	0.9
70.86544	0.5
81.03352	1.6
83.01271	3.6
93.03361	1.1
95.01299	0.9
95.04916	1.2
96.95913	0.4
97.02852	2.4
105.03374	0.6
107.04938	1.7
108.02075	0.9
109.02855	10.3
117.03354	0.7
121.02850	2.0
122.03658	0.5
123.04436	8.2
125.02361	100.0
126.02672	2.3
131.04941	1.2
133.02875	5.5
135.04446	2.2
137.02367	17.3
139.03940	1.9
141.25488	0.5
145.02914	0.8
147.04480	0.8
149.02364	4.7
149.06021	0.7
150.03189	0.9
151.03944	12.2
158.03619	0.5
159.04430	2.3
160.05214	0.6
161.02383	34.4
161.05983	2.3
162.03065	2.7
163.00351	3.5
163.03938	4.2
164.01076	5.7
165.01906	7.0
167.03450	1.7
170.67371	0.5
173.06003	0.7
174.03192	0.9
175.03951	19.3
175.07449	0.6
176.01155	0.7
176.04308	0.7
177.01889	12.8
177.05424	0.9
178.02426	0.5
179.03442	3.0
183.04471	0.7
185.06013	0.9
187.03975	4.0
188.04785	1.0
189.01935	1.9
190.02658	0.7
191.03470	1.5
193.05084	1.5
199.03995	4.4
201.01765	0.7
201.05597	2.4
202.06335	0.9
203.03502	3.4
203.07054	4.2
205.01419	1.7
205.05045	4.8
211.03984	1.0
213.05550	1.2
215.03445	1.4
217.01689	0.6
217.05060	9.2
219.02985	4.2
219.06734	0.7
225.05591	1.6
227.03519	1.7
227.07130	1.2
228.04181	0.9
229.05034	2.0
230.05786	0.8
231.03004	1.9
239.07323	0.6
241.05125	1.4
243.03008	22.4
243.06699	1.8
244.03468	1.9
245.04570	11.0
245.08211	6.1
247.06082	0.9
253.05205	1.1
255.03021	6.1
255.05687	0.6
255.06825	0.7
256.03705	2.9
257.04575	1.9
261.04041	6.5
267.03067	1.0
269.04547	3.7
271.02432	0.7
271.06177	0.6
273.04102	2.0
281.04660	2.0
282.01733	1.3
283.02469	2.6
284.03284	0.6
285.03961	2.6
285.07193	0.6
287.05667	21.8
288.02951	0.5
288.06137	0.7
289.07239	21.1
290.07715	0.9
293.04657	1.0
297.04263	1.1
299.05655	3.5
300.02689	0.5
305.04242	0.6
311.05621	0.5
315.08792	1.1
327.05203	0.5
329.06543	1.1
337.07315	0.8
339.08801	2.2
341.06931	1.6
347.05692	0.6
363.05139	0.9
364.01978	0.5
373.03995	0.6
375.05338	0.5
381.10263	0.8
383.07874	1.3
387.04999	1.2
391.04810	1.3
405.06079	4.4
407.07782	18.2
408.08154	1.3
413.08719	5.4
417.05997	0.7
419.07767	0.6
423.07300	3.3
425.08850	8.6
426.09033	0.8
435.07495	0.9
449.08902	4.5
451.10355	6.1
517.11847	0.5
525.08392	2.3
533.11194	1.1
543.09375	3.7
559.12842	1.0
561.10834	1.6
569.11365	1.4
575.12036	5.4
576.12225	0.8
577.13690	10.6
578.14252	1.5
587.12341	3.5
588.13086	0.5
677.13776	0.6
695.14349	7.7
696.14111	0.9
713.15387	3.1
714.16003	0.6
739.16663	2.4
865.20001	2.9
866.20746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00216	0.3
65.03841	0.4
67.01764	0.4
68.99695	0.3
69.94122	1.4
77.03845	0.3
81.03349	0.9
83.01273	3.4
83.04911	0.4
85.02843	0.3
89.03869	0.4
93.03362	1.1
95.01298	0.7
95.04916	1.0
96.95914	0.6
97.02838	1.3
105.03419	0.3
105.38412	0.2
107.04938	1.3
107.17877	0.3
108.02099	0.6
109.02857	10.7
117.03376	0.9
119.04969	0.3
120.02085	0.3
121.02851	2.3
122.03692	0.6
123.04440	7.4
124.01599	0.3
125.02365	100.0
126.02711	2.1
131.03421	0.7
131.04956	1.0
132.02083	0.4
133.02872	4.6
134.03674	1.2
135.04471	1.6
137.02370	12.9
138.02768	0.3
139.03922	1.8
143.04991	0.5
145.02904	0.9
146.03708	0.4
147.04463	0.8
148.01665	0.3
149.02371	3.1
149.06012	0.8
150.03180	0.9
151.03941	10.5
157.06577	0.3
159.04482	2.2
160.01599	0.5
160.05222	0.6
161.02385	31.2
161.05994	2.5
162.03024	2.1
163.00334	2.6
163.03946	3.9
164.01094	6.5
165.01877	6.1
166.02554	0.3
167.03484	1.6
167.80046	0.3
171.04454	0.3
172.05185	0.3
173.02440	0.5
173.06033	1.1
174.03233	0.8
175.03957	14.5
175.07561	0.7
176.01099	0.8
176.04384	0.6
177.01897	10.6
177.05545	1.1
178.02481	0.9
179.03467	2.6
183.04420	0.7
185.02322	0.3
185.06041	0.8
187.03969	3.9
188.04720	1.0
189.01891	2.1
189.05540	1.1
190.02715	0.6
191.03502	1.0
193.05040	2.7
197.06052	0.3
199.03970	3.2
199.07611	0.4
200.04633	0.5
201.01932	1.0
201.05505	2.0
202.02588	0.3
202.06285	0.8
202.99664	0.4
203.03487	3.0
203.07141	4.5
205.01471	1.7
205.05061	4.4
211.03999	1.1
212.04657	0.5
213.05568	0.8
214.02736	0.7
215.03529	1.1
215.07111	0.4
216.00696	0.3
217.01445	0.8
217.05046	7.1
217.08458	0.3
219.02986	3.9
219.06573	0.8
220.03574	0.3
221.08171	0.6
225.05577	1.3
227.03571	1.9
227.07132	1.1
228.04227	1.0
229.05070	2.5
230.05780	0.4
231.02940	1.4
231.06520	0.4
241.05122	0.9
242.02289	0.3
243.03017	17.1
243.06546	1.5
244.03473	1.2
245.04587	10.8
245.08235	6.4
246.04990	0.8
246.08636	0.4
247.06070	0.8
249.05934	0.3
253.05028	1.2
253.08810	0.3
255.03035	6.7
255.06093	0.5
255.06689	0.5
256.03787	2.6
257.04562	1.5
259.06161	0.7
261.04062	6.0
262.04544	0.4
265.05042	0.5
267.03043	0.4
267.06711	0.3
269.04578	3.3
269.07541	0.3
269.08554	0.3
271.02536	0.5
271.06198	0.8
273.01544	0.3
273.04028	1.9
281.04633	2.3
282.01730	0.9
282.05042	0.5
283.02570	1.6
284.03348	0.7
285.04160	2.5
285.07394	0.4
286.04605	0.3
287.05667	27.9
288.03003	0.5
288.06058	1.5
289.07248	21.6
290.07764	1.2
293.04651	0.6
295.06140	0.3
297.04123	0.8
297.07410	0.3
299.05673	3.7
301.03799	0.3
301.07251	0.5
303.05396	0.4
305.04663	0.4
309.04343	0.4
311.05582	0.6
315.08768	0.9
325.09515	0.6
327.05121	0.7
327.08560	0.3
329.06790	1.1
331.08374	0.6
337.07300	0.6
339.08905	2.2
341.06793	1.3
363.05179	0.8
363.09085	0.4
365.06754	0.5
369.10007	0.5
379.08286	0.3
381.06006	0.6
381.10287	1.4
383.08170	0.8
387.05301	0.8
389.06519	0.3
391.04752	0.8
395.07874	0.9
405.06097	4.6
405.10785	0.3
406.06662	0.5
407.07794	23.7
408.08142	1.7
409.09634	0.4
413.08841	7.9
414.09079	0.5
417.06345	0.5
419.07986	0.4
423.07281	5.1
424.07468	0.7
425.08875	13.0
426.09064	1.3
433.09418	0.4
435.07455	1.1
447.07166	0.4
449.08795	6.6
450.09158	0.4
451.10434	8.6
452.11169	0.5
467.09616	0.6
499.10437	0.4
517.11548	0.6
525.08435	2.0
526.08228	0.4
533.10535	1.3
534.11731	0.4
543.09326	4.0
544.09766	0.6
559.12738	1.2
561.10443	1.9
562.10504	0.3
569.10718	1.8
575.12030	6.3
576.12335	1.1
577.04370	0.6
577.13611	11.7
578.14215	1.7
587.12073	3.2
588.12305	0.5
619.14532	0.3
669.16486	0.4
677.13422	0.8
695.14160	7.4
696.14813	1.3
713.15216	3.5
714.15509	0.5
739.16760	1.8
865.19708	2.5
866.19757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03873	0.7
67.01764	0.6
69.03330	0.6
71.58714	0.8
81.03345	1.3
83.01263	4.1
85.02814	0.6
93.03353	1.5
95.01309	0.9
95.04909	0.7
96.95899	1.5
97.02863	2.4
103.88298	0.5
105.03358	0.6
107.04932	2.4
108.02073	0.5
109.02853	10.8
117.03329	0.7
121.02865	2.9
122.03610	0.8
123.04430	7.5
125.02363	100.0
126.02663	2.6
131.04964	1.4
133.02869	5.4
135.00790	0.8
135.02933	0.6
135.04436	1.9
137.02367	15.4
139.03940	1.6
145.02940	0.6
146.03696	0.7
147.04449	0.9
149.02374	3.5
149.06044	1.0
150.03149	1.1
151.03923	13.0
151.05048	0.8
152.04248	0.7
159.04469	2.9
161.02383	31.7
161.06029	2.0
162.03036	2.0
163.00314	3.1
163.01486	0.5
163.03917	3.6
164.01109	6.2
165.01875	5.7
167.03436	1.7
171.04486	0.6
173.06001	1.4
174.03230	0.7
175.03955	17.5
175.07475	0.8
176.01108	0.9
176.04340	0.9
177.01868	12.6
177.05505	0.6
178.02451	0.7
179.03433	1.9
183.04510	0.8
185.05965	0.6
187.03952	4.9
188.04692	1.4
189.01933	1.7
191.03479	1.3
193.05000	1.3
199.03975	5.3
199.07558	0.6
201.01898	1.5
201.05574	2.4
203.03490	2.9
203.07117	4.9
204.04021	0.6
205.01413	1.7
205.05061	3.2
211.03940	1.0
213.05563	1.3
214.02701	0.9
215.03505	1.4
215.07039	0.5
217.01587	0.7
217.05060	10.4
218.05334	0.8
219.02911	3.7
219.06512	0.9
221.08267	0.8
225.05695	1.4
227.03542	2.3
227.07048	0.9
228.04233	0.7
229.04996	2.9
230.05775	0.7
231.03012	1.5
241.05042	0.7
243.02995	23.6
243.06818	1.4
244.03508	1.5
245.04575	10.4
245.08232	6.3
246.08693	0.7
253.05040	1.4
255.02998	6.3
256.03784	2.2
257.04599	1.6
261.04044	9.1
269.04639	3.1
271.02771	0.5
271.06216	0.8
271.16525	0.5
273.04147	1.8
279.06540	0.6
281.04535	1.7
282.01755	1.4
283.02530	2.1
284.03217	0.8
285.04080	2.5
287.05664	27.9
288.06021	2.4
289.07266	20.7
290.07614	1.5
293.04651	1.0
295.02472	0.6
297.04233	1.0
297.07632	0.8
299.05704	3.8
305.04340	0.6
315.08914	0.7
329.06598	0.6
339.08755	1.2
341.06744	1.4
363.05231	2.0
369.09763	0.6
381.06110	1.5
381.10266	1.2
387.05435	0.9
391.04572	1.6
395.07782	1.3
405.06171	6.4
407.07755	18.0
408.08121	1.9
413.08871	7.9
423.07242	6.5
424.07956	0.9
425.08795	7.7
435.07336	0.9
436.07660	0.6
449.08829	8.2
450.09164	1.0
451.10416	7.9
452.10941	0.7
467.10062	0.9
498.85220	0.6
525.08466	2.2
533.10577	0.6
543.09406	5.6
559.12842	1.3
561.10370	2.7
569.11017	1.4
575.11945	9.1
576.12421	1.6
577.13538	7.1
578.14166	1.0
587.11896	4.3
616.12897	0.9
695.14276	10.5
696.15143	2.1
713.15210	3.1
714.15729	0.8
734.69458	0.6
739.16150	2.5
865.20239	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	865.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40095	0.7
61.03684	0.7
65.86733	0.7
66.35945	0.7
67.01799	0.9
69.88284	2.7
69.88700	1.6
75.00771	1.8
81.03355	0.9
83.01281	3.4
89.03880	1.1
91.27307	0.9
93.03345	1.6
97.02840	2.2
100.01842	0.8
107.04959	1.6
109.02853	11.7
121.02875	2.4
123.04427	6.8
125.02364	100.0
126.02699	2.5
131.04906	1.5
133.01959	0.8
133.02844	4.5
135.02945	8.0
135.03914	0.8
135.04445	3.3
137.02371	13.4
139.03960	2.4
145.02893	1.2
147.04523	1.1
149.02405	3.7
149.06042	0.9
150.03128	1.0
151.03949	9.4
159.04443	2.7
161.02382	32.2
161.06044	2.0
162.03088	2.6
163.00325	3.0
163.03967	5.0
164.01071	6.4
165.01863	5.8
167.03435	1.6
173.05983	1.2
174.03128	1.4
175.03955	16.1
177.01877	10.0
177.05574	1.3
179.03441	2.7
185.06085	0.7
187.03957	4.0
188.04701	1.3
189.02011	1.0
189.05623	1.0
191.03505	1.0
193.05075	1.1
199.03979	3.0
201.01839	1.0
201.05499	1.7
203.03523	2.7
203.07112	4.6
205.05075	3.9
211.04158	0.9
215.03473	1.6
217.01439	1.0
217.05064	7.5
219.03009	2.4
219.06723	0.8
225.05452	1.2
227.03447	1.5
227.07178	1.3
228.04082	0.9
229.05106	2.1
242.05818	0.7
243.02995	16.8
243.06685	1.5
244.03578	1.5
245.04593	11.3
245.08257	5.7
246.04971	0.7
247.06096	0.9
255.02936	5.9
256.03699	1.8
257.04623	1.6
259.45319	0.7
261.04050	5.5
267.03061	0.7
269.04648	2.2
271.06232	1.1
273.04086	2.6
281.04645	1.7
282.01843	1.7
283.02640	1.9
285.04062	2.8
287.05670	31.6
288.05972	2.2
289.07254	22.1
290.07520	1.8
290.65924	0.8
297.06265	2.1
299.05606	3.1
327.05411	0.9
329.06949	1.6
341.06668	1.8
363.05215	0.8
381.05951	1.0
381.10266	1.1
387.05270	1.2
395.07797	1.3
405.06158	5.1
407.07788	19.3
408.08136	1.9
413.08868	9.7
423.07333	6.2
425.08853	12.6
449.08676	7.0
451.10345	8.6
525.08344	1.5
533.10974	1.2
543.09137	4.7
559.12891	1.5
561.10742	2.0
569.10876	1.7
575.12006	8.4
577.13568	15.1
578.13989	1.6
587.11975	2.7
695.14056	10.7
696.13843	2.2
713.15454	5.1
739.17151	2.2
786.45532	0.8
865.20056	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	867.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03337	2.8
83.01273	1.1
91.01855	0.3
91.62321	0.3
93.03340	2.5
107.01254	0.8
109.02859	0.3
116.18117	0.3
119.04934	2.7
123.04434	8.7
125.02353	5.6
135.00786	0.6
135.04456	0.4
137.02322	0.4
145.02908	0.3
149.02344	0.7
151.00275	1.6
153.01837	0.3
159.04504	0.5
163.00310	0.9
165.01828	0.4
167.03438	26.8
168.03763	0.7
169.06432	0.3
171.04385	0.4
179.03450	3.0
185.06065	1.1
187.02400	0.3
187.03946	0.9
189.05621	0.6
191.03404	0.4
199.04005	0.6
211.03943	0.8
213.05467	0.9
217.04837	0.3
227.03484	29.8
228.03790	2.0
229.05063	3.4
230.56920	0.3
239.03471	0.6
240.04164	0.4
241.05058	0.5
243.03130	0.5
255.03006	41.8
256.03604	6.0
257.04565	2.4
267.02948	0.3
273.07721	42.3
274.08102	3.0
284.03299	54.9
285.04059	50.4
286.04425	4.0
287.04480	0.7
327.04947	0.5
431.09879	100.0
432.10226	10.4
433.10284	1.1
434.10779	0.8
435.12997	7.7
436.13504	0.8
504.29660	0.3
758.98035	0.3
796.41254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	0.4
69.03345	0.7
71.01267	7.7
71.56391	0.3
72.99194	0.9
73.02829	1.7
75.00764	0.4
76.33883	0.3
77.06996	0.2
80.02565	1.2
81.02940	0.2
81.03336	1.5
83.01280	1.1
83.04911	5.1
84.02064	1.0
85.02827	1.9
87.00767	1.9
89.02335	6.7
93.03330	0.4
95.01289	0.5
95.04928	0.7
96.95905	1.0
97.02859	1.0
99.00787	0.6
101.02348	6.1
102.35787	0.3
103.81087	0.3
109.02863	0.4
109.05772	0.3
109.15082	0.3
113.02365	3.0
117.03410	0.9
119.03423	1.9
119.04922	0.7
125.02363	3.4
125.05982	0.6
131.03314	0.3
135.02888	0.4
135.08051	1.0
137.02422	0.7
139.03886	0.3
143.03406	1.2
145.02866	2.6
149.04636	0.3
151.00293	0.3
161.02448	0.4
161.04538	2.0
163.03992	0.3
163.11235	4.5
165.05521	0.3
165.12781	2.2
167.03514	0.3
169.01353	0.3
169.35539	0.3
171.10222	0.5
175.02515	0.4
176.37640	0.2
177.01932	0.4
179.03444	0.4
179.05585	2.1
181.12253	0.6
191.10759	1.1
209.11810	100.0
210.12152	4.9
221.06644	0.6
227.12883	16.3
228.13136	0.4
235.08215	2.4
251.13023	0.4
253.09227	0.3
263.07718	0.3
287.07834	0.7
289.07230	0.4
305.08746	0.8
323.09885	1.0
379.04602	0.3
379.12527	3.5
397.13611	21.8
398.14011	0.7
415.14624	5.0
416.14978	0.3
589.25397	1.3
607.26288	2.6
663.35754	0.7
763.41260	0.5
790.77960	0.3
799.38062	0.7
823.43176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.0
69.03343	1.3
69.69485	1.6
69.69900	4.1
71.01269	18.0
72.99195	1.0
73.02837	2.4
80.96411	2.3
81.03342	1.3
83.01279	2.2
85.02850	3.9
87.00768	5.4
89.02334	16.2
95.01318	0.9
97.02857	3.4
98.20504	1.8
99.00837	1.0
101.02345	13.9
113.02338	7.7
119.03437	4.0
125.02353	8.1
127.11254	1.4
143.03450	2.8
149.04529	1.0
161.04482	5.0
171.10211	100.0
172.10576	3.2
179.05530	4.1
199.06020	1.0
217.07152	1.6
235.08232	7.5
237.21883	1.0
255.23328	69.1
256.23666	4.3
259.08347	2.1
287.07739	2.4
295.22815	1.0
305.08722	2.6
379.12582	21.1
379.17471	1.1
380.12888	1.4
397.13583	42.8
398.14056	2.3
415.14606	6.8
432.93167	0.9
458.51794	1.0
517.15704	0.9
551.23468	4.1
552.23541	1.0
569.24695	2.9
570.24188	1.1
635.36469	4.5
653.37592	6.6
654.38220	1.7
793.55286	1.0
794.49573	1.2
799.12872	0.9
867.46515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
62.98419	0.1
66.60862	0.1
71.01274	0.3
71.56614	0.1
71.57092	0.2
74.11035	0.1
79.95644	0.3
80.96416	0.5
89.02328	0.2
101.02387	0.1
136.29015	0.1
164.98596	0.2
177.28647	0.1
211.13382	0.5
225.00804	0.2
253.09410	0.3
254.09554	0.1
277.21844	0.4
293.21088	0.5
294.21494	0.7
295.22067	0.4
379.12640	0.2
397.13705	0.4
596.70288	0.1
677.55701	0.1
710.18823	0.1
869.47656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	4.7
63.71525	1.2
65.03845	1.2
69.03332	2.3
70.42944	1.3
74.78407	1.0
76.75047	1.2
79.95625	1.9
81.03333	2.2
83.01279	10.8
93.03326	3.0
95.01255	2.8
95.04934	2.2
96.95914	29.1
97.02858	6.3
107.04910	1.3
108.02061	2.4
109.02866	27.0
117.03344	2.4
119.04926	1.2
121.02872	8.9
122.03677	7.9
123.00777	1.7
123.04443	23.5
124.01591	3.8
125.02364	100.0
126.02671	2.4
130.37428	1.1
133.02881	10.5
135.04448	6.7
137.02376	59.7
138.03198	5.4
139.03923	6.9
143.04944	1.1
145.02843	3.2
146.03665	1.3
147.04445	2.9
149.02376	19.7
149.06067	2.0
150.03166	1.5
151.03949	16.5
153.01807	1.7
153.48813	1.1
154.02643	2.5
159.03275	1.0
159.04446	7.1
160.01581	1.4
161.02393	57.3
161.06001	5.8
162.03165	8.2
163.00320	13.1
163.03992	10.9
163.11198	1.3
164.01123	9.8
164.04671	1.4
165.01878	14.0
165.05487	1.6
165.09160	2.3
165.12863	2.0
173.06006	1.9
174.03181	1.8
175.03975	13.9
175.07532	1.4
176.01106	3.1
177.01898	21.1
177.05528	4.9
178.02657	3.4
179.03429	8.1
185.06026	2.4
187.03993	9.2
188.04706	3.1
189.01883	6.5
189.05562	3.5
190.02612	3.6
191.03499	6.3
197.05974	2.3
199.03958	1.9
199.07657	1.5
200.04756	1.4
201.01863	1.2
201.05540	7.0
202.02618	1.7
202.06252	1.5
203.03485	5.8
203.07094	11.9
204.00555	1.6
205.01372	5.0
205.05042	12.8
209.11772	3.6
212.04788	1.2
213.05533	2.5
215.03645	2.6
215.07007	3.0
217.01462	1.9
217.05064	2.8
219.02902	1.6
219.06569	2.9
221.08206	2.3
225.05643	2.3
227.03419	2.4
227.07098	2.4
229.05005	5.1
231.02995	3.0
240.04132	1.4
241.05061	4.8
242.05835	2.0
243.03012	2.6
243.06589	3.3
245.04568	27.0
245.08180	10.2
246.08798	1.7
247.06136	4.8
255.03072	3.7
255.06738	1.4
256.03720	3.0
257.04572	2.6
263.16580	1.5
267.03040	2.4
268.03720	3.2
269.04602	18.8
270.05377	8.5
271.05984	1.6
273.07803	1.8
281.04590	2.9
283.02673	2.0
287.05667	8.7
287.23883	1.7
289.07242	40.3
290.07538	2.2
296.03394	2.0
297.04047	4.2
299.05646	3.7
300.02902	1.2
301.07254	2.7
302.04361	2.1
309.04343	1.3
315.19717	3.7
330.14780	1.7
331.22824	12.6
333.20746	6.7
339.08804	1.3
341.06735	2.6
345.17319	1.4
346.38989	1.3
348.15814	5.0
360.15723	1.3
361.16611	5.1
388.15277	1.6
389.16019	7.0
399.21930	2.1
403.17184	1.5
407.07507	2.7
417.22891	76.3
418.23322	5.4
419.07846	8.7
425.08597	2.5
429.23044	9.2
451.10617	8.6
457.22369	1.6
459.07114	3.8
479.17300	8.7
480.17722	2.1
507.16611	3.5
537.25354	4.6
547.23602	3.9
565.24493	4.3
579.26099	34.4
580.26263	6.6
581.27667	84.0
582.27850	13.6
591.25970	4.4
617.18860	1.4
621.27026	2.1
673.30591	5.4
699.28235	81.0
700.28601	13.3
717.29236	17.9
718.29681	4.2
743.30835	18.5
744.31116	3.2
759.29633	1.5
804.57483	1.6
851.33057	5.3
852.33588	1.7
869.33899	30.4
870.34552	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	869.348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	15.9
71.25603	0.8
71.28033	1.3
72.67178	0.6
72.99185	2.3
74.23580	0.6
74.97511	0.8
80.04934	1.9
82.02865	0.9
83.01269	2.1
85.02845	3.6
87.00751	2.3
89.02340	12.2
94.02335	1.0
94.02884	9.5
95.01274	1.2
96.95890	1.1
99.00790	1.2
101.02343	8.0
104.04968	0.7
106.06540	4.2
108.04434	2.0
113.02361	5.2
119.03398	3.6
119.04942	0.8
122.06035	4.2
124.03967	1.1
125.02330	1.7
130.06483	0.8
132.04448	1.2
134.06038	22.9
135.02907	1.2
135.06512	0.6
136.04050	1.4
138.05507	2.7
139.03923	0.8
147.05569	1.1
148.03922	1.4
150.05536	3.1
151.00266	1.7
152.07124	5.7
160.07629	0.8
168.06627	1.6
174.05482	1.4
178.99786	1.0
179.03368	0.8
180.06645	1.2
181.12317	1.3
183.42548	0.6
186.05795	0.8
188.07115	1.0
190.05061	2.3
201.10316	4.6
211.08878	1.2
213.10318	2.4
215.11821	0.8
224.09373	1.0
225.11105	2.1
227.03577	0.7
227.11896	2.0
229.09871	4.8
229.13445	1.6
235.08720	1.9
237.10417	2.4
239.08107	0.9
239.11906	3.5
241.09724	1.8
247.10851	0.8
249.10309	2.4
250.07430	1.4
251.08250	2.3
251.11882	2.3
252.08995	1.2
253.09821	3.0
254.10326	0.8
255.02969	2.6
255.11421	3.1
257.12988	1.7
263.08240	3.1
264.09064	1.3
265.09805	3.5
266.10468	1.6
267.11432	4.2
271.02524	5.1
273.12415	1.3
275.08258	0.9
277.09943	5.7
278.06946	2.5
278.10602	4.8
279.07779	4.1
279.11417	6.0
281.09576	1.1
281.13321	0.8
291.07913	1.1
291.11343	1.7
292.08517	1.9
292.11670	0.8
293.09406	10.4
294.10086	2.2
295.10962	5.2
300.02802	7.7
301.03561	3.7
301.11969	4.7
305.09366	2.7
306.09940	1.3
307.10916	5.1
309.12537	1.9
314.12540	1.7
316.02405	2.4
319.13080	12.0
321.08826	2.7
321.12341	1.2
322.09546	0.8
330.12518	1.0
337.08279	1.5
337.12051	1.6
339.10059	3.3
347.17035	1.0
351.09937	2.2
372.13486	1.6
374.15002	2.6
384.13269	1.3
386.15207	1.6
392.16193	2.3
398.14771	1.0
400.16833	1.1
405.17792	6.0
410.15402	0.8
416.16135	2.2
418.14072	1.3
421.07843	1.1
424.16714	1.8
425.17703	1.6
426.18137	0.8
428.16330	1.0
432.15546	1.3
433.08118	0.9
434.17288	1.4
439.22195	0.9
442.17929	1.0
444.15048	0.8
446.17056	1.7
462.89368	0.9
463.08868	13.1
468.15433	1.3
486.16812	2.9
500.18338	0.9
512.35834	0.7
538.29089	0.8
560.09863	0.8
620.22638	2.0
621.23041	1.4
638.23474	4.4
639.23560	1.3
648.21991	3.6
649.22644	1.4
665.21844	1.0
666.23242	13.3
667.23737	2.7
680.24677	3.0
701.28552	1.8
712.27277	9.1
713.28113	1.3
743.29523	1.1
745.27582	2.3
760.43085	0.9
761.30267	3.8
777.29987	3.5
778.29425	0.9
787.28656	1.5
793.32965	1.1
805.29565	53.7
806.29926	8.7
819.31024	2.5
837.32141	100.0
838.32336	19.6
869.34760	19.0
870.35529	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	869.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98712	14.4
69.03329	1.3
71.01263	12.1
71.04908	1.9
71.56624	1.9
72.99202	1.3
73.02831	2.5
75.00764	1.1
78.95782	1.5
79.95615	1.3
80.02584	1.4
81.03349	2.2
81.62329	1.0
83.01264	2.3
83.04918	6.4
84.02050	2.4
85.02841	4.1
87.00749	1.2
89.02360	4.8
93.03366	1.6
95.01308	1.7
95.04925	2.9
96.95275	1.9
96.95908	33.7
97.02864	2.6
97.06490	3.0
98.95497	3.7
99.00762	1.3
99.04423	1.6
99.08041	1.3
101.02343	6.9
107.04926	1.3
108.02036	1.2
109.02847	5.3
109.06493	1.9
111.00822	1.4
111.08028	1.5
112.05205	1.4
113.02354	4.0
113.05994	1.3
115.07540	2.4
119.03408	1.7
121.02910	1.8
122.03630	1.4
123.04419	5.9
123.08062	2.4
125.01448	1.6
125.02363	25.5
125.09651	8.1
127.07527	5.4
127.11215	1.7
133.02892	1.3
135.04395	1.1
135.08057	3.3
137.02399	6.3
137.09656	2.1
139.03972	1.3
139.07581	2.3
141.09131	1.8
143.03444	1.1
149.02338	1.4
149.09641	1.4
151.00327	1.0
151.03947	2.1
153.09146	21.4
155.10724	3.0
161.02388	9.9
161.04509	3.2
161.05864	0.9
163.03966	1.4
163.11234	5.7
164.01070	1.7
165.01852	4.7
165.09129	1.1
165.12784	3.2
171.10208	45.0
172.10573	1.5
177.01855	1.4
178.09943	4.6
179.10651	1.1
185.11771	11.9
186.12173	1.4
187.03940	2.1
191.10747	4.3
191.14359	3.3
193.12352	1.6
197.11819	14.8
205.05014	2.0
207.10201	2.3
208.39503	1.1
209.11806	77.3
210.12181	3.8
211.13362	2.6
219.13893	1.7
221.11876	1.6
223.13376	2.4
227.12845	1.8
235.08202	4.1
236.10522	1.4
237.11330	1.5
238.12167	1.6
239.12799	1.4
243.02939	1.2
245.04588	5.5
245.19081	4.8
253.09332	11.9
255.02994	5.3
256.03705	1.2
263.20096	2.3
269.04776	1.2
279.19559	2.3
283.02582	1.8
287.05676	2.4
289.07193	5.1
289.18137	22.1
291.19629	2.8
293.21283	2.0
297.20639	2.0
305.17593	2.4
307.19208	100.0
308.19522	6.9
309.20840	6.4
323.18777	2.4
325.20236	43.2
326.20554	3.4
327.21771	5.5
407.07629	2.0
407.19333	2.0
425.08929	1.3
485.32764	4.3
487.34854	1.5
525.27167	4.3
543.19812	1.4
543.28168	25.4
544.28351	1.7
547.23779	1.3
561.29224	5.1
579.25867	1.8
581.27625	4.7
673.30103	1.8
697.38007	3.9
697.84448	1.2
699.27997	11.4
700.28540	1.5
709.38312	1.7
727.39526	2.4
735.39532	1.2
755.43622	1.3
764.40552	1.7
782.40570	3.4
800.42633	1.4
815.46729	1.2
826.97766	1.1
833.46851	9.3
834.47272	2.4
851.48022	15.4
852.47925	2.8
869.34296	2.3
869.49872	5.7
893.67694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	0.7
66.44600	0.1
68.99711	0.1
69.03347	1.2
70.91671	0.2
70.92009	0.2
71.01266	0.4
73.02826	0.1
75.00765	0.1
79.95616	0.2
80.02551	0.1
80.96395	0.2
81.03344	0.4
83.01308	0.3
83.04913	0.9
84.01557	0.2
84.02055	3.0
85.02836	0.2
86.35194	0.1
89.02336	0.1
93.03335	0.3
95.04927	0.3
96.95911	3.2
97.02853	1.2
97.06488	6.9
99.04423	1.2
107.04958	0.2
109.02879	0.8
109.06497	0.2
110.88972	0.1
111.00838	0.1
111.08014	0.2
119.08586	0.4
121.02888	0.3
121.10154	0.2
122.03692	0.2
123.04447	0.6
123.08091	0.2
125.02366	2.3
125.06017	0.2
125.09640	1.3
127.11164	0.3
133.02858	0.3
135.04472	0.2
135.08073	0.4
137.02373	1.2
137.09644	0.7
139.03900	0.1
149.02365	0.3
149.09662	0.2
149.13339	0.3
150.03114	0.1
151.03938	0.4
151.11247	0.4
153.09134	0.3
153.12527	0.1
155.10692	0.1
159.04454	0.1
161.02393	1.1
161.06064	0.1
161.36496	0.1
162.03107	0.1
163.00269	0.2
163.03889	0.1
163.11217	0.3
164.01157	0.3
165.00629	0.1
165.01947	0.4
165.12793	0.8
166.13214	0.1
167.14412	0.1
171.10222	11.1
172.10542	0.4
173.06097	0.1
175.03946	0.2
175.11237	0.6
177.01869	0.7
177.12857	0.4
179.03374	0.2
183.13931	0.3
185.11807	0.6
191.10721	0.2
193.12315	10.4
194.12584	0.5
197.11771	0.4
197.15399	0.5
203.10719	0.3
205.05019	0.2
207.10310	0.2
207.13966	0.1
209.11836	1.2
211.13390	2.6
221.11844	0.9
223.13358	0.1
225.14958	15.6
226.15311	0.9
227.13020	0.1
238.12106	0.2
239.12852	0.2
243.16028	7.0
244.16382	0.4
245.04572	0.3
245.08246	0.2
247.20786	0.1
253.09277	0.4
253.14481	1.1
255.02969	0.2
263.16568	0.1
269.04678	0.2
273.18542	0.5
287.05548	0.2
287.16571	0.1
289.07251	0.9
290.07550	0.2
291.19708	3.6
292.20007	0.3
305.17572	0.4
305.21243	0.4
323.22333	0.5
331.22821	0.2
341.23376	100.0
342.23721	8.1
407.08139	0.1
417.22955	1.1
425.08206	0.1
425.35629	0.1
451.10516	0.2
487.34619	0.6
565.24500	0.2
579.25891	0.5
581.27661	1.0
582.27808	0.2
673.29938	0.2
699.28357	1.7
700.28882	0.4
717.29419	0.4
718.30438	0.2
743.31067	0.2
869.32501	0.7
869.57831	0.2
870.33881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	0.4
70.40479	0.6
70.40853	0.9
71.01258	3.3
71.04906	1.1
72.02071	0.5
73.02823	0.7
79.23712	0.3
79.95618	1.3
80.02573	1.1
81.03350	0.8
83.04920	2.7
84.02058	2.3
85.02850	1.1
95.04917	1.0
96.95909	36.0
97.02809	0.5
97.06484	1.6
98.03664	0.4
99.04391	0.6
99.08055	2.1
108.02058	0.5
109.02856	0.6
109.06482	1.0
111.08060	1.0
112.05219	0.9
115.07529	1.5
119.04967	0.4
121.02843	0.5
121.06490	0.4
123.04420	0.6
123.08066	0.6
125.02341	1.0
125.06039	0.7
125.09624	3.3
127.07569	9.2
127.11186	0.3
128.07857	0.4
135.08086	1.5
137.02362	0.8
137.06082	0.4
137.09625	0.9
139.07567	2.9
141.09120	0.6
141.12833	0.4
145.02867	0.8
147.11848	0.3
153.09154	7.1
153.12804	0.5
155.10735	1.7
163.11249	2.7
165.09175	0.4
165.12779	2.0
169.12308	0.5
171.10219	7.8
178.09969	2.5
179.10721	0.5
181.12338	1.0
185.11794	11.2
186.12172	0.4
191.10738	1.3
191.14359	1.6
197.09995	0.7
197.11812	13.1
198.12143	0.8
207.10295	1.2
209.11810	49.2
210.12117	2.5
211.13354	1.3
225.11382	0.4
227.12767	0.6
236.10558	0.6
237.11349	0.6
238.12099	4.1
239.16547	0.6
245.19080	2.6
251.16516	0.5
253.09352	0.6
253.18181	0.7
255.12311	0.4
256.13202	1.7
263.20175	1.1
265.18073	0.4
271.17105	0.5
279.19669	1.5
281.21274	0.4
289.07361	0.6
289.18167	6.3
290.18494	0.6
297.20917	0.4
307.19202	79.6
308.19562	5.8
309.20853	1.1
325.20248	100.0
326.20590	7.1
871.41821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	10.2
75.55131	9.9
90.30253	8.8
96.95874	10.9
98.20580	20.9
98.95956	8.4
116.92759	15.5
120.14600	11.0
121.47153	8.2
131.54652	8.1
163.88071	11.7
174.40924	8.5
197.11771	26.4
229.60692	9.7
253.09308	32.5
264.71240	8.8
277.92709	9.4
291.19736	28.9
309.20816	100.0
552.80042	11.4
873.47626	77.1
874.48376	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	875.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
73.75952	1.3
75.00761	14.5
83.01273	4.4
83.98764	1.3
89.02320	2.9
97.02842	4.0
98.19804	5.4
109.02865	17.6
121.02838	4.3
123.04427	14.9
125.02362	100.0
126.02724	3.5
133.02913	7.3
134.03636	1.6
135.02924	38.9
135.04419	8.6
135.31079	1.4
137.02374	20.5
138.02687	1.8
139.03874	2.4
149.02347	6.6
150.03175	1.7
151.03963	12.8
159.04413	3.2
161.02382	32.3
161.06024	4.2
162.03082	2.4
163.00218	1.6
163.03922	4.3
164.01053	5.6
165.01840	5.7
167.03436	1.7
175.03981	12.4
177.01845	7.5
179.03439	6.6
187.03967	8.5
188.04732	4.6
201.05577	1.7
202.06345	2.6
203.03346	1.8
203.07056	9.0
205.04951	7.4
213.05560	2.4
213.16493	1.6
215.03383	2.0
217.05090	2.0
225.05643	1.7
227.03412	3.6
227.07265	1.9
228.04251	1.9
229.04938	3.0
230.05737	1.7
230.64813	1.9
243.03015	3.8
244.03822	1.5
245.04633	7.4
245.08215	14.4
255.02974	11.0
256.03650	5.2
257.04504	2.0
269.04355	2.7
273.04092	5.2
281.04553	3.6
283.02435	2.7
285.04153	3.6
287.05643	13.3
288.05994	2.4
289.07227	52.0
290.07556	3.7
297.06250	7.1
299.05594	4.5
339.08792	4.8
381.09683	1.9
407.02322	1.9
407.07773	56.0
408.08240	7.5
425.08841	66.8
426.09164	6.4
451.10489	21.3
452.10876	2.1
453.17218	1.5
511.67844	1.6
519.48126	1.4
559.12756	2.7
577.13617	72.8
578.13708	9.9
778.10742	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	877.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	0.9
69.03343	4.2
71.00900	0.9
71.01267	11.9
71.04919	0.9
71.58462	0.9
72.99197	1.2
73.02826	1.9
74.27925	0.6
81.03352	0.6
83.01254	1.6
83.04899	0.6
85.02842	3.6
87.00758	2.9
89.02336	9.5
95.01292	0.9
97.02837	2.2
97.06477	0.8
99.00732	1.1
101.02348	7.7
113.02338	4.2
119.03407	1.9
121.02933	0.6
123.08083	1.1
125.02345	2.0
125.09639	1.2
151.11171	1.8
161.04463	0.7
161.09605	2.9
179.10721	5.6
197.11807	33.2
198.12193	1.0
209.11777	0.6
218.96602	0.5
221.06624	1.6
223.09711	0.8
223.47333	0.6
235.08134	0.7
241.10831	2.6
255.23332	42.6
256.23630	2.6
269.24646	0.7
291.19986	0.9
397.13440	2.1
426.19498	0.7
877.48199	100.0
878.48553	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	879.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02218	4.1
65.00146	7.5
71.01219	1.0
72.84007	0.6
73.02778	0.8
74.36136	0.7
83.01275	5.8
90.98412	2.0
96.77699	0.7
96.95839	2.5
98.20596	1.0
107.01283	13.4
109.02796	1.0
112.14854	0.6
113.02288	0.9
119.04858	1.5
120.75606	0.6
121.02785	1.2
123.04266	0.7
124.01519	1.0
125.02383	4.9
133.02744	0.8
135.02844	1.1
135.04370	1.5
137.02290	1.6
139.25844	0.6
149.02338	2.0
151.00305	48.9
151.03827	1.9
152.00768	1.4
161.02310	1.0
161.99327	0.6
163.00189	2.1
163.03893	1.3
164.00970	0.9
165.01759	1.8
165.99185	0.6
167.03255	1.0
169.01364	10.1
171.04428	0.8
177.01860	1.3
178.02568	0.6
178.99815	48.0
180.00066	1.4
183.04388	1.0
190.99699	1.4
192.00476	2.9
193.01379	6.2
199.03876	2.3
205.01291	1.2
213.01668	1.0
225.01799	0.7
226.02553	1.1
227.03522	14.5
228.03760	0.7
229.33286	0.7
233.00758	1.2
239.03383	0.8
241.01263	0.9
253.01210	2.1
254.02019	2.4
255.03012	15.1
256.03375	1.0
257.08084	1.1
265.05020	0.7
271.02448	1.3
277.04977	0.7
279.02835	0.7
279.06232	0.9
281.00732	2.0
281.04236	0.7
282.01532	0.8
283.02405	1.7
289.04938	1.2
291.02930	0.6
292.03796	0.9
293.04523	1.6
299.01901	0.9
300.02466	1.0
301.03427	1.5
305.04330	1.6
306.14618	0.8
309.03934	0.8
317.04672	0.8
320.03207	0.8
321.03937	2.5
323.05557	1.2
331.02325	1.0
332.03107	1.3
333.04092	3.4
335.05707	1.5
337.03415	1.1
345.04007	0.8
349.03677	3.0
350.04279	1.0
351.05206	4.6
361.03848	3.3
361.07462	0.7
362.04099	1.0
363.05161	0.8
364.02283	0.8
365.02899	1.9
367.04468	1.1
377.03049	4.1
378.03448	1.2
379.04691	4.8
381.02863	0.9
389.03149	4.0
390.04053	0.9
393.02429	1.3
405.02460	2.7
406.03137	2.0
407.04135	10.0
408.04437	1.1
417.02359	2.7
433.01868	3.0
434.02115	0.8
435.03537	4.3
447.09241	1.6
461.01462	1.1
484.04208	0.7
513.04407	2.3
540.03424	4.3
541.04224	7.8
542.04736	0.9
556.28064	0.7
557.03625	2.3
558.04523	4.0
559.05304	5.5
569.03528	6.6
570.04938	1.0
587.04779	22.5
588.04761	2.4
687.10120	1.5
715.10016	1.8
733.10559	100.0
734.10992	12.0
742.74030	0.7
879.16388	21.4
880.16522	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	879.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00221	0.5
71.56232	0.5
81.07464	0.3
83.01273	0.6
89.02327	0.4
93.03361	0.8
93.35364	0.4
95.01296	0.6
107.01288	1.7
108.02111	0.5
109.02854	1.5
111.00792	0.5
120.99538	0.9
121.02862	1.4
125.02364	0.7
135.00804	0.5
135.02945	0.3
135.04413	0.4
136.98730	0.4
148.01671	0.4
151.00301	6.0
159.04416	0.5
161.06046	0.3
163.00314	1.7
164.00992	0.4
165.01761	0.4
165.99039	0.4
178.99823	2.9
183.04506	0.7
187.03963	0.7
189.05452	0.4
199.03946	0.6
201.05603	0.5
211.04005	1.1
215.03468	0.5
217.05040	0.4
220.89767	0.4
226.02757	0.5
227.03516	4.8
228.04100	0.4
229.05086	1.2
243.02994	6.7
244.03336	0.5
245.04539	0.9
254.02249	1.0
255.00291	0.5
255.03021	19.7
256.03452	2.0
257.04584	2.6
271.02524	26.5
272.03220	5.4
273.03940	1.2
283.02533	1.5
284.03290	3.2
285.04123	3.0
299.01920	1.2
300.02805	47.6
301.03561	42.1
302.03943	2.9
304.02045	0.3
335.92987	0.3
431.09982	3.7
447.09384	100.0
448.09760	8.7
716.18073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51970	0.7
61.98705	3.5
62.32283	0.7
67.78796	0.6
69.03326	0.9
71.01265	8.1
73.02818	1.3
73.66041	0.6
80.96374	0.9
81.03345	0.8
83.01293	1.7
85.02837	1.6
87.00773	1.3
89.02349	4.4
89.16500	0.8
95.04895	1.3
97.02841	1.4
97.06473	2.1
101.02364	5.9
109.06454	0.9
111.08060	1.0
113.02340	2.3
119.03436	1.3
123.04456	2.0
125.02344	0.7
125.09624	3.4
125.17728	0.7
137.09616	2.1
153.87395	0.8
159.82909	0.7
161.04510	2.2
163.11218	3.8
171.10220	4.9
179.05618	0.9
179.10724	1.0
179.14378	1.4
185.11789	4.2
191.14420	5.8
195.13864	6.4
197.11827	0.9
201.11372	1.0
207.10243	2.6
209.11821	9.7
211.13324	1.0
223.13371	4.9
225.11302	3.4
228.13603	0.9
235.08247	3.8
237.11340	2.2
245.19127	11.1
253.09302	22.9
253.11920	1.5
255.23370	4.4
256.13156	1.6
263.20227	2.5
271.17075	1.3
275.20209	6.0
289.18149	57.6
290.18536	4.2
291.19708	2.1
292.20056	0.9
293.21289	100.0
294.21600	7.6
299.04419	1.0
307.19196	55.0
308.19574	4.3
309.20773	0.9
397.13416	2.3
445.21268	0.9
461.47894	0.8
525.27203	2.9
543.28375	2.8
819.49182	1.3
879.48541	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96133	2.3
70.64440	7.1
71.01279	10.6
78.98483	7.0
79.95614	16.6
80.96407	90.8
85.02816	4.1
87.00776	4.7
92.74353	2.3
93.02142	2.2
93.17633	2.1
94.97969	17.9
97.02895	2.4
101.02351	3.4
106.98004	4.3
134.97502	6.6
148.99088	7.4
152.98563	7.4
164.98573	11.6
204.00281	2.1
206.99745	2.4
225.00740	20.8
332.04010	2.0
709.39453	2.6
814.62939	2.6
879.51599	100.0
880.51813	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	881.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00178	0.8
65.03831	0.8
71.56842	1.0
81.03337	1.5
83.01287	4.0
83.04922	1.1
93.03352	2.6
95.01302	0.8
95.04939	1.5
97.02843	2.2
105.03351	1.2
107.04926	2.4
109.02854	12.0
118.84503	0.7
121.02868	5.1
123.00812	1.1
123.04426	7.6
124.01600	0.9
125.02361	100.0
126.02750	3.4
131.04976	1.4
133.02870	5.6
135.04405	1.9
137.02382	17.4
139.03952	1.7
143.05000	1.1
148.01599	0.7
148.93605	0.7
149.02374	9.2
149.05956	1.0
151.03947	15.0
152.04243	0.9
152.33003	0.7
155.04933	0.8
159.04460	2.9
161.02393	18.8
161.06036	2.4
162.03059	1.1
163.00284	3.4
163.03951	3.6
164.01099	4.6
165.01884	7.0
166.02635	1.3
167.03424	2.5
169.06477	0.8
173.02432	1.2
173.06061	1.7
174.03081	1.1
175.00436	0.7
175.02499	1.4
175.03958	19.7
175.07520	0.8
176.01175	1.1
176.04306	0.8
177.01889	63.7
178.02299	2.4
179.03441	2.5
185.06023	1.1
187.03963	2.7
188.04680	0.8
189.01927	2.3
189.05547	1.0
190.08147	0.6
191.03413	2.4
193.05037	1.6
199.03998	6.8
200.04404	0.8
201.01875	1.3
201.05620	0.8
202.06311	1.1
203.03511	2.2
203.07172	4.7
205.01427	1.1
205.04987	3.7
211.04034	1.2
213.05605	1.3
214.02678	1.2
215.03496	1.3
217.05038	10.9
217.08670	0.8
219.03033	4.7
219.06465	1.1
225.05637	1.4
227.03525	2.3
228.04079	1.0
229.04990	3.3
231.02998	2.6
233.04611	0.9
235.06354	0.8
241.05055	1.5
243.03006	33.9
243.06703	1.5
244.03531	2.4
245.04562	7.4
245.08244	6.1
253.05043	1.0
255.03053	8.8
256.03717	2.7
257.04486	1.7
259.06210	1.0
261.04089	13.5
269.04642	2.3
271.06100	0.7
273.04224	0.9
281.04752	2.1
282.02039	1.5
283.02484	2.7
285.04150	4.5
287.05676	15.7
288.06061	1.0
289.07245	22.6
290.07718	1.3
292.03992	0.8
293.04599	0.9
295.02637	0.9
299.05756	3.7
303.05121	18.7
311.05728	1.0
316.76648	0.8
325.03873	1.1
327.05090	1.1
329.43057	0.8
339.08777	1.5
341.06857	2.0
363.05203	0.9
381.05978	1.4
383.07889	1.2
385.09763	0.8
387.05383	2.1
391.04767	2.5
395.07727	0.8
405.06262	9.3
405.11191	1.3
406.06644	0.8
407.07791	18.2
407.12775	1.4
408.08173	1.1
413.08789	1.6
423.07236	8.2
424.07889	1.1
425.08899	10.5
426.08771	0.9
429.08411	5.6
451.10577	8.8
453.08307	0.9
465.08206	5.9
467.10077	2.0
525.08392	4.8
543.09381	10.5
544.09753	1.3
549.10797	1.3
559.12122	1.5
561.10364	4.0
577.13806	11.3
578.14282	1.4
585.10699	1.4
591.11450	7.6
593.13324	0.9
603.11774	2.7
695.14215	15.5
696.14917	1.6
711.13892	3.3
713.15350	2.7
729.14832	2.8
747.99847	0.8
755.16345	2.3
781.49780	0.7
813.21545	0.8
881.19763	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	881.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95219	3.0
77.49440	1.4
79.01746	1.3
81.03350	2.0
83.01287	4.5
93.03330	2.5
95.53250	1.3
97.02879	2.2
107.04919	1.4
109.02864	13.7
119.04952	1.9
121.02843	6.0
123.04452	9.6
125.02366	100.0
126.02625	2.7
133.02826	7.2
135.04433	2.5
137.02380	18.8
139.03900	3.4
145.02899	1.7
149.02414	9.2
150.03027	1.7
151.03955	13.4
159.04507	3.5
161.02385	14.1
161.05998	2.3
162.02808	1.4
163.00299	2.3
163.03941	6.0
164.01060	4.3
165.01851	5.5
167.03468	3.2
173.06017	1.5
175.03972	18.3
177.01892	67.9
178.02327	2.2
179.03432	1.8
187.03893	6.3
188.04727	2.4
189.01837	2.2
191.03459	2.8
199.03958	4.9
201.05563	1.8
203.07072	6.0
205.04970	4.6
213.05702	1.7
215.03311	1.7
217.05055	7.2
219.03011	4.9
227.03476	2.3
229.04831	2.7
243.03020	18.0
245.04495	3.7
245.08220	5.1
255.03014	10.7
256.03687	3.8
257.04523	1.6
261.04013	9.1
269.04568	2.5
273.04062	2.6
283.02429	1.5
285.04074	4.3
287.05704	13.4
289.07220	29.0
290.07483	3.2
303.05237	15.5
315.04965	1.5
325.97452	1.4
339.08823	2.7
341.06482	1.9
381.09711	1.5
395.07840	1.5
407.07797	28.4
408.08075	2.7
413.08856	11.3
423.07083	1.5
425.08853	21.5
426.09070	3.1
439.06418	1.4
458.34650	1.5
465.08282	5.2
467.09705	9.9
509.61960	1.5
525.08490	3.2
543.09912	6.3
561.10339	3.8
569.10999	2.3
580.76550	1.6
587.11987	5.1
591.11530	3.6
593.13165	13.4
594.13519	2.4
603.11523	1.5
695.14142	2.8
711.13568	5.8
712.14056	1.9
713.14777	7.6
755.16315	3.4
881.19257	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	883.196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02273	7.4
65.00212	9.8
71.01260	2.0
73.02835	1.8
73.62160	1.3
81.03348	1.5
83.01271	11.5
84.16146	1.1
85.02839	1.8
95.01267	1.6
96.95898	1.8
98.20539	3.5
99.04426	1.2
107.01294	21.5
109.02809	2.7
118.53134	1.3
121.02836	2.4
123.04397	1.4
124.01569	2.4
125.02363	22.1
131.04861	1.3
135.04428	2.7
137.02368	12.3
145.02876	2.2
149.02373	3.0
151.00304	57.7
151.03842	1.9
152.00975	4.1
153.01880	1.7
155.04958	1.2
159.04453	3.1
161.02364	2.1
163.00281	3.2
163.04045	1.5
164.01047	2.4
165.01883	3.4
167.03438	4.7
167.04811	1.2
169.01353	9.5
172.05304	1.9
173.06064	1.8
174.03159	2.2
175.03885	2.2
177.01936	6.6
178.99828	59.0
179.03409	4.7
180.00160	1.5
183.04456	3.8
187.03967	3.6
189.05656	1.3
191.03481	1.5
192.00557	2.9
193.01376	14.7
195.04579	1.9
201.01964	1.6
201.05502	5.5
203.03490	4.3
205.01424	8.5
206.02081	1.4
207.02948	7.9
211.03931	9.5
212.04710	4.3
213.01915	2.3
213.05444	2.2
213.60312	1.2
213.62816	1.2
214.02704	3.9
215.03528	8.0
217.01357	1.9
219.02963	2.3
225.05634	1.9
227.03470	10.6
228.04247	8.0
229.01408	5.5
229.05034	8.5
231.02931	3.7
233.00896	1.6
238.02696	1.7
239.03516	8.4
240.04292	2.4
241.01382	1.6
241.05060	3.8
242.02211	3.7
243.02965	7.9
247.02448	4.9
249.05553	2.6
251.03506	5.0
252.04480	1.6
253.05132	2.9
255.02985	8.7
255.06583	4.3
256.03763	9.5
257.04596	13.3
261.05679	2.1
264.04425	2.1
265.05148	6.0
266.02274	1.4
266.05847	1.6
267.02997	6.3
267.06537	2.1
268.03827	1.8
269.04486	2.7
271.02475	2.0
273.05591	1.3
277.05090	3.4
279.02948	2.0
279.06799	2.5
280.03903	2.5
281.01733	1.3
281.04578	8.1
283.02438	3.5
283.06152	2.4
289.04892	2.0
291.06607	3.0
293.01645	1.5
293.04593	5.5
295.05945	1.6
299.05576	3.5
301.04913	1.7
305.04688	5.0
307.06113	3.3
309.04288	2.1
309.07614	1.6
317.04703	5.7
319.06046	2.6
321.04163	7.5
322.04764	2.7
323.05627	4.4
325.03369	1.7
331.06119	1.3
333.04083	4.4
333.07727	2.5
334.04892	1.9
335.05676	5.2
337.03659	3.0
345.04181	6.7
346.04715	1.5
347.05734	2.8
349.03500	4.7
349.07321	1.8
350.04288	11.2
351.05087	10.9
352.05789	2.0
353.02805	2.0
355.04715	2.4
357.04077	1.7
361.03513	4.4
362.04260	3.2
363.05167	22.8
363.09354	0.9
364.05496	2.8
365.03082	2.1
366.03867	3.4
367.04581	14.8
368.05066	1.7
373.03464	5.8
374.04236	2.9
375.04974	3.1
377.06815	3.7
379.04672	11.0
380.05380	7.8
381.06058	5.4
390.03931	6.4
391.04605	20.9
392.04984	1.9
401.02975	11.7
403.04407	3.3
407.04147	4.8
408.04855	6.9
409.05710	10.3
413.02823	1.8
417.02420	2.6
418.03418	6.6
419.04156	100.0
420.04443	6.7
431.04050	4.1
436.04590	2.5
437.05240	5.4
511.07089	1.6
513.07983	2.8
515.14063	2.6
531.09546	3.0
539.06207	5.1
540.06403	1.6
557.07532	16.9
558.07605	3.2
575.08417	78.0
576.08740	8.7
599.79724	1.4
659.16565	4.7
684.98462	1.4
715.15039	10.8
716.15228	2.0
717.17065	6.4
727.15509	9.8
728.15063	1.9
737.14063	2.3
745.16284	33.2
746.16919	4.4
806.42157	1.5
865.18335	8.4
883.19464	60.6
884.20270	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	883.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.9
63.02278	4.7
65.00211	13.6
69.40631	11.3
71.01280	5.3
75.00762	2.0
77.42719	1.2
81.03329	2.9
83.01273	14.0
83.19895	1.2
85.02836	1.8
89.02347	2.7
93.03355	6.5
95.01295	1.6
95.37273	1.3
96.95921	4.2
101.02338	2.6
107.01290	21.6
108.02090	3.8
109.02868	4.8
113.02375	2.1
119.04922	2.6
119.52975	1.2
121.02840	1.5
121.63651	1.2
122.07158	1.2
123.00702	1.4
123.04430	10.6
124.01591	3.1
124.43429	1.1
125.02363	56.5
126.02710	1.8
129.03473	1.3
133.02907	2.8
135.02936	2.1
135.04465	4.6
137.02373	12.6
139.03935	1.7
145.02866	2.5
146.03653	2.1
147.04451	7.1
149.02417	4.7
151.00304	78.3
152.01115	10.1
153.01840	6.6
153.44080	1.4
159.04385	2.4
160.47520	1.2
161.02390	3.1
163.00333	2.2
163.03957	3.5
165.01912	3.1
165.05536	1.4
167.03473	12.1
167.81131	1.3
169.01360	10.6
173.02353	1.7
174.03114	1.8
175.00334	4.7
175.03967	8.5
177.01923	10.3
178.98215	2.4
178.99821	51.2
179.03426	5.5
183.04503	2.3
187.03941	2.1
189.05527	6.0
191.03491	7.3
193.01389	19.6
199.04018	6.1
200.04837	1.4
201.01837	2.1
201.05547	4.6
203.03487	12.7
205.01416	28.4
206.01956	1.5
207.02968	8.6
211.04001	4.0
213.01973	4.7
213.05493	3.3
214.02722	4.0
215.03490	21.6
215.07115	2.7
217.01341	1.4
217.05025	12.9
219.02979	11.4
223.04089	2.8
225.05562	8.2
227.03464	6.1
228.04269	1.7
229.01529	1.6
229.05098	9.7
231.02988	7.3
233.00945	2.3
235.04007	1.3
239.03488	2.7
240.04352	2.8
241.05078	10.2
243.02888	1.8
243.06598	3.3
251.03497	4.3
252.04309	2.5
253.05103	7.5
255.02901	1.4
258.06750	1.2
263.07074	1.4
265.04987	2.3
267.03046	6.0
267.06573	1.5
268.03723	2.7
269.04663	10.7
270.04993	1.5
271.02548	4.0
271.05942	1.6
279.02982	3.0
280.03769	2.6
289.07828	1.6
291.06717	1.5
293.04648	2.1
294.05392	3.3
295.02478	3.1
295.06049	2.6
296.03333	1.4
297.03964	13.5
298.04514	1.7
300.02838	6.7
301.03555	4.3
305.04572	1.7
307.06396	1.2
313.05807	1.4
315.07001	3.4
319.06171	3.0
321.04208	3.4
323.01654	1.6
333.07886	2.4
335.05676	2.3
337.07205	2.2
341.06802	2.5
343.06210	2.1
343.20981	1.4
349.03482	1.8
350.04346	2.3
351.05133	6.0
351.08881	1.9
359.05667	4.3
361.07291	6.4
363.05313	2.8
365.02780	1.5
367.04892	2.4
375.05057	2.8
377.06830	6.6
379.04572	3.5
387.05087	5.2
388.05716	2.0
393.06137	2.5
395.07925	1.9
403.04706	5.8
404.05365	1.8
405.06219	26.9
406.06659	2.7
410.18561	1.6
420.05060	1.8
421.05753	4.0
423.07330	12.0
431.04062	14.7
431.09323	1.7
435.09448	19.5
436.09390	1.9
447.09332	10.9
449.05206	16.2
450.05646	1.9
451.10120	1.6
469.30011	2.0
529.10052	4.9
551.11615	1.5
557.07166	3.8
567.11163	1.7
569.12915	8.4
575.08423	70.1
576.08673	7.6
585.12329	1.5
595.11292	16.1
617.09192	1.5
641.09180	1.9
678.16534	1.5
703.13007	1.9
719.12555	8.7
721.14246	100.0
722.14636	14.4
737.13727	36.8
738.14142	5.8
745.14874	1.9
763.15314	2.0
883.19092	32.4
884.18781	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	883.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
62.98431	0.6
63.99106	0.5
69.03354	0.7
71.01264	6.0
71.58415	0.7
71.58771	0.6
73.02838	1.0
78.98508	0.7
79.95625	4.2
80.96408	8.5
81.03362	0.6
83.01258	0.9
85.02831	4.5
87.00780	1.6
89.02341	2.3
94.98016	1.9
97.02847	1.1
97.06493	1.9
99.48997	0.5
101.02332	4.0
105.20357	0.5
113.02375	2.3
119.03482	0.8
119.08561	0.8
125.02384	1.3
127.11170	1.0
133.04979	0.5
134.97513	0.7
137.09660	1.0
143.03505	0.7
148.99081	0.7
161.04526	2.0
164.98589	2.2
171.10207	8.0
177.12819	0.6
179.05600	1.3
183.13878	1.4
197.11838	1.4
207.10233	1.1
209.11792	0.9
211.13374	9.0
221.11795	1.5
225.00761	2.1
225.11459	0.6
229.14423	4.4
235.08218	11.4
235.10419	0.7
239.12883	1.1
253.09322	17.0
253.11940	1.0
254.09721	0.9
255.23380	0.5
277.21774	61.2
278.22079	5.0
291.19662	3.8
295.22961	1.6
309.20789	8.4
310.21548	0.6
327.21820	43.0
328.22321	2.7
513.30957	1.2
545.29651	4.1
546.29944	0.9
563.30786	4.8
587.42975	1.2
794.22681	0.5
823.53577	0.8
883.45544	10.1
884.45575	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	884.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	100.0
62.98385	0.1
70.66466	0.3
71.01298	0.2
75.97822	0.1
79.95627	0.3
80.96401	0.7
88.58009	0.1
89.31524	0.1
94.97994	0.1
96.85316	0.1
99.05935	0.1
119.83765	0.1
148.99162	0.1
164.98611	0.1
197.11850	0.2
209.11954	0.2
225.00845	0.2
277.21869	0.3
293.21399	0.3
294.21701	0.4
295.21973	0.2
309.20828	0.2
310.21475	0.2
382.59247	0.1
507.02682	0.1
543.91620	0.1
566.97430	0.1
884.45618	0.8
885.45892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51852	2.1
69.97368	10.6
71.01273	29.9
72.99197	3.2
75.00746	3.1
83.01279	4.0
85.02853	7.5
87.00772	3.2
89.02338	28.3
95.01315	4.7
101.02344	15.3
109.02895	2.9
113.02362	10.3
119.03450	11.1
125.02367	19.9
135.02965	5.1
137.02472	3.0
139.05104	2.2
143.03432	4.9
151.00307	8.0
151.59106	2.1
161.02464	2.7
161.04518	2.9
175.03970	3.3
177.01743	4.3
178.99916	4.0
179.03418	2.3
179.05595	13.3
179.06961	3.4
180.99622	7.4
208.99170	9.3
232.99266	11.4
251.00046	3.3
271.02570	3.8
300.02856	5.7
303.05170	4.6
316.02551	2.7
341.01337	2.4
359.02533	4.6
421.02405	8.7
445.57953	2.9
463.08731	7.7
471.31256	29.4
483.31259	15.6
488.63086	2.8
518.17285	2.6
619.70374	2.4
663.37701	100.0
664.37805	12.7
696.91229	3.7
758.03107	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	885.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.2
63.96143	0.1
68.99707	0.2
69.03344	1.2
70.16090	0.5
71.01269	17.4
72.01595	0.2
72.99191	1.7
73.02838	2.7
75.00770	0.4
79.95625	0.5
80.02549	1.0
80.96414	1.1
81.03349	1.8
83.01270	1.9
83.04913	5.4
84.02040	0.7
85.02840	4.3
87.00765	3.8
89.02335	12.6
90.02654	0.2
91.03903	0.3
93.03373	0.4
94.97977	0.4
95.01289	1.1
95.04932	0.6
97.02845	2.4
97.06449	0.2
99.00779	0.9
99.04408	0.3
101.02345	12.0
102.02657	0.2
109.02893	0.4
109.06491	0.4
111.00786	0.4
111.04408	0.5
113.02357	7.3
115.03920	0.3
119.03423	2.8
121.02879	0.3
123.00837	0.3
123.04444	0.3
124.01597	0.4
125.02366	5.9
125.05995	0.4
127.03935	0.3
129.01833	0.1
131.03432	0.8
133.04993	0.4
135.08107	0.5
137.02385	0.2
139.03928	0.4
141.01868	0.5
143.03447	2.3
145.05023	0.2
147.11777	0.2
148.99094	0.3
149.04523	0.4
161.04504	3.2
163.11230	4.0
164.11530	0.2
164.98605	0.2
165.12807	2.5
166.13179	0.2
167.03502	0.3
169.05002	0.2
179.05585	3.1
181.05057	0.2
181.12334	0.4
185.04428	0.2
191.10765	0.9
199.06070	0.6
199.13434	0.2
203.05524	0.2
207.10278	0.1
209.11812	100.0
210.12146	4.5
210.14189	0.1
211.13283	0.1
217.07115	0.7
221.06638	1.5
225.00818	0.4
227.12888	11.8
228.13159	0.6
233.23108	0.1
235.08235	5.4
236.08527	0.2
245.06752	0.4
251.12965	0.4
253.09212	0.8
259.08255	0.6
259.20715	0.3
263.07822	0.4
269.06680	0.2
275.19922	0.2
277.21771	50.4
278.22137	3.5
287.07813	1.4
291.23349	0.4
293.21381	0.2
301.09384	0.3
305.08862	1.6
319.10410	0.2
319.22784	0.2
323.09848	1.1
361.11447	0.2
379.12521	6.4
380.12769	0.4
397.13589	35.9
398.13849	2.1
415.14673	8.4
416.14920	0.5
480.90509	0.2
506.71912	0.2
565.30096	0.2
589.12610	0.2
589.25000	0.5
607.26227	0.9
617.30853	0.1
657.34741	0.2
675.36273	0.7
676.36511	0.2
811.49908	0.2
885.47369	1.3
886.47650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78463	0.1
61.98711	0.3
69.03337	0.7
71.01264	13.3
71.04856	0.1
72.01579	0.1
72.99180	1.2
73.02829	2.0
75.00759	0.2
79.46785	0.1
79.95624	0.2
80.02557	1.0
80.96386	0.3
81.03343	1.9
83.01279	1.7
83.04912	5.0
84.01632	0.1
84.02040	0.9
85.02839	3.1
86.33585	0.1
87.00236	0.2
87.00765	3.3
89.02332	10.2
90.02662	0.1
91.03906	0.2
93.03330	0.4
94.97961	0.2
95.01289	1.1
95.04894	0.6
96.40540	0.1
97.02843	2.2
97.06479	0.3
99.00774	0.7
99.04392	0.2
101.02339	10.0
103.00227	0.1
107.04934	0.2
109.02826	0.2
109.06486	0.2
111.00788	0.3
111.04421	0.3
111.08010	0.2
111.54459	0.1
113.02349	5.9
115.03918	0.3
119.03409	3.1
121.02843	0.2
123.00745	0.1
123.04384	0.2
125.02356	5.1
125.05997	0.6
125.09631	0.1
126.02699	0.1
127.03915	0.2
127.07520	0.2
127.20161	0.1
131.03415	0.5
133.05026	0.3
135.08092	0.6
137.02383	0.2
139.03966	0.4
141.01845	0.4
143.03424	2.1
149.02338	0.2
149.04486	0.4
161.04500	2.7
163.11221	3.6
165.12802	2.4
167.03416	0.3
171.03047	0.1
177.08995	0.2
179.05559	3.6
181.10812	0.1
181.12250	0.7
191.10793	1.1
199.06126	0.4
209.11804	100.0
210.12126	4.4
211.13300	0.2
217.07132	0.6
219.04941	0.2
221.06642	1.7
225.00793	0.2
227.12872	10.6
228.13222	0.4
233.11792	0.3
235.08226	4.6
236.08545	0.1
245.06752	0.3
251.13019	0.6
253.09354	0.8
259.08246	0.6
263.07706	0.5
275.20193	0.2
277.21759	40.6
278.22113	2.9
287.07779	1.7
291.23279	0.2
293.21271	0.1
301.09280	0.2
305.08813	1.4
319.22791	0.2
323.09808	1.1
361.11481	0.3
367.58984	0.1
379.12500	5.8
380.12793	0.3
397.13559	31.3
398.13971	1.7
413.18369	0.2
415.14639	7.5
416.15018	0.4
589.25073	0.8
607.25861	1.3
608.26294	0.3
675.36261	0.4
885.47223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	0.6
69.03303	4.2
69.33408	5.9
71.01267	15.7
71.04908	1.2
72.99192	1.3
73.02834	1.9
80.96407	1.4
81.03381	0.6
83.01282	2.1
83.04934	0.8
85.02842	4.1
87.00771	3.1
89.02332	10.8
93.03358	0.7
95.01271	0.9
96.95906	11.1
97.02858	2.3
97.86308	0.7
98.95496	2.9
99.00790	1.1
101.02349	9.6
109.06498	0.8
113.02353	5.9
116.92772	1.0
119.03410	3.1
120.15354	0.5
121.02975	0.6
125.02357	4.3
128.22591	0.6
130.46748	0.5
143.03452	1.3
149.09689	1.2
151.11235	0.7
161.04521	1.9
167.10724	2.8
179.05591	4.0
179.10751	1.1
179.14383	4.6
179.50400	0.6
195.13878	12.3
197.11839	2.0
205.12329	11.8
205.13901	0.4
206.12723	0.6
223.13394	100.0
224.13702	4.9
225.00728	0.8
229.43303	0.5
235.08261	4.3
253.09091	0.6
287.07761	0.8
302.63275	0.5
305.08951	0.7
309.20715	1.5
323.09921	1.0
374.94867	0.5
379.12500	3.4
389.68491	0.6
397.13596	24.4
398.13736	1.1
415.14560	4.3
429.26489	1.3
487.34442	0.8
603.26642	14.8
603.36530	0.8
604.26819	2.5
620.72260	0.7
621.27753	19.6
622.28705	2.5
757.36786	0.7
809.39685	5.8
810.38928	1.0
827.40753	6.2
828.41058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95628	0.6
69.03340	0.6
69.77781	3.8
75.00762	1.9
81.03352	2.0
83.01286	4.4
88.36457	0.6
93.03368	1.6
95.04935	2.3
97.02848	4.7
98.63287	0.7
107.04949	1.4
108.02061	0.7
109.02856	19.6
109.03606	1.1
114.67359	0.6
117.03320	1.4
121.02866	3.6
122.03661	1.2
123.00824	1.0
123.04435	13.2
124.01588	0.7
124.04848	0.6
125.02364	100.0
126.02706	2.0
131.04851	0.7
133.02899	4.3
134.03659	2.4
135.02898	4.3
135.04436	2.5
137.02376	23.8
137.87350	0.8
139.03893	3.2
145.02852	0.9
146.03697	1.5
149.02393	6.5
150.03181	0.8
151.03946	13.7
155.23831	0.7
158.03703	0.7
159.04460	4.1
160.05225	1.3
161.02383	30.7
161.05988	4.4
162.03130	1.9
163.00304	2.0
163.04001	4.3
164.01100	4.6
165.01894	4.9
167.03439	1.7
173.02440	0.7
173.06049	1.0
174.03098	1.3
175.03949	11.4
175.07623	1.4
177.01898	7.1
177.05493	1.6
178.02684	1.2
179.03499	4.3
185.06038	1.7
187.03972	8.2
188.04729	3.7
189.05525	1.1
193.05045	2.8
199.03955	1.1
201.05496	1.4
202.06325	1.5
203.03523	2.0
203.07112	9.7
205.01387	2.6
205.05057	7.4
211.03983	1.2
212.04837	0.7
213.05591	1.7
215.03430	1.5
217.04944	1.2
221.08209	1.9
227.03607	1.2
227.07095	1.9
228.04243	1.7
229.05084	3.7
230.05824	1.2
231.03067	1.3
243.02957	2.7
243.06677	1.4
244.03627	0.8
245.04497	5.4
245.08223	14.8
247.06128	1.5
253.05093	1.1
255.03021	10.8
256.03735	5.5
257.04568	1.5
269.04617	1.8
273.04129	4.7
281.04697	4.9
283.02557	1.9
284.03204	1.0
285.04126	3.4
287.05688	13.3
289.07245	57.8
290.07584	2.9
297.04129	2.1
297.07465	1.1
299.05704	6.8
317.41324	0.8
329.06784	1.1
339.08691	4.4
363.08850	0.8
381.09778	1.9
386.82535	0.8
389.06635	1.2
407.07794	56.1
408.07935	4.5
425.08853	55.6
426.09091	5.2
451.10449	18.3
451.16376	1.4
452.10852	1.6
536.74078	0.7
559.12531	2.6
577.13617	56.5
578.13995	7.0
752.78717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	0.9
69.03350	0.8
69.40569	0.7
69.63609	4.5
69.64014	1.4
69.90630	0.8
71.01266	18.9
72.99202	2.5
73.02838	3.4
78.95800	1.0
80.96432	1.6
81.03315	0.8
83.01283	1.4
85.02858	4.3
85.50508	0.8
87.00771	5.3
89.02337	15.8
95.01305	1.4
97.02866	1.7
99.00774	0.9
101.02347	13.1
113.02345	8.3
116.92699	0.7
119.03398	4.6
125.02338	8.8
127.11231	1.3
137.02394	1.8
139.03993	0.9
143.03471	3.6
153.09113	1.2
154.96881	0.8
161.04512	5.0
162.92577	1.0
171.10217	100.0
172.10565	2.6
179.05582	3.0
180.89011	0.7
195.57846	0.8
199.06209	1.2
221.06540	1.3
225.00266	0.8
235.08217	6.2
235.55367	0.7
253.09447	1.1
259.08286	1.1
277.21771	72.6
278.22092	5.1
287.07773	2.3
291.23291	1.1
305.08817	2.7
323.10071	1.1
345.11969	0.9
379.12509	18.0
380.12820	1.2
383.39160	0.8
397.13580	46.8
398.14011	1.9
415.14563	9.4
416.14886	1.0
481.25677	1.6
551.23572	4.3
552.24341	1.0
569.24542	3.8
657.35107	2.5
675.36346	4.1
889.48743	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	889.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98677	0.7
62.36491	0.5
71.01264	17.5
71.28024	0.9
71.28355	1.1
72.99174	1.2
73.02827	2.6
78.95768	0.7
80.96416	0.7
81.03358	0.8
83.01258	2.1
85.02821	3.9
87.00775	3.9
89.02333	12.8
95.01273	1.7
97.02843	2.5
99.00754	0.8
101.02338	11.7
111.04414	0.5
113.02345	7.4
119.03426	3.8
119.04128	0.6
125.02370	6.5
125.09631	1.2
126.46941	0.6
127.11197	1.7
131.03433	0.9
137.02275	0.6
139.03922	0.9
143.03436	1.9
161.04475	4.5
167.03400	0.7
171.10210	100.0
172.10587	3.2
179.05605	3.8
198.69104	0.6
199.06070	1.0
203.05588	0.7
209.11772	0.7
217.07198	1.7
221.06647	1.7
235.08231	5.1
266.77063	0.6
277.21762	56.5
278.22101	5.4
287.07745	3.2
301.09332	0.9
305.08945	2.6
323.10040	1.0
379.12515	14.8
380.12692	1.1
397.13580	39.4
398.13950	2.4
415.14719	7.0
416.15170	0.7
519.74915	0.7
551.23645	4.3
569.24609	4.7
657.35358	2.2
675.36298	2.2
745.42627	0.8
815.53278	1.1
837.38275	0.6
889.48242	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	891.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02278	13.3
65.00213	14.0
69.40323	11.1
69.40730	4.6
75.00779	3.8
75.67254	1.7
83.01284	11.6
98.20660	1.7
107.01302	27.1
109.02865	2.1
125.02404	9.6
134.03645	1.9
135.02917	5.5
137.02370	3.8
145.02925	1.9
147.04443	2.4
149.02341	2.4
151.00302	100.0
152.00885	5.4
153.01932	3.9
159.04492	2.1
163.00340	3.1
165.01930	1.9
169.01379	20.7
169.06609	2.0
171.04382	2.8
173.02420	4.3
176.00983	2.4
177.01918	4.4
178.99826	79.4
179.03348	2.4
180.00179	2.9
185.05995	4.0
191.03447	4.4
192.00676	2.0
193.01448	18.7
195.04607	2.4
195.06442	2.0
198.03123	3.5
199.03954	4.4
201.01892	6.2
203.86618	1.8
205.01445	5.9
207.02972	4.0
211.03934	7.8
212.04762	5.9
213.01971	2.6
213.05542	16.4
215.03531	6.5
219.02977	19.6
223.03970	3.7
226.02808	2.8
227.03491	13.5
229.05104	9.7
239.03520	31.3
240.04291	6.4
241.01399	2.5
241.05051	29.0
245.00945	3.1
251.03448	6.7
255.03136	2.3
265.04977	2.4
267.03036	26.3
268.03717	2.4
269.04526	3.9
271.02576	6.5
277.05234	2.8
300.02710	10.7
301.03326	9.0
305.04639	2.3
317.04291	2.3
329.04562	4.6
330.05325	2.0
331.06027	3.0
333.04086	2.5
335.05710	2.8
345.04037	4.3
346.04764	3.4
347.05591	8.1
357.04147	4.4
363.04929	2.3
365.06506	9.5
373.03607	4.8
374.04456	3.0
375.00604	3.4
375.05170	54.7
376.05582	4.2
379.04291	2.4
385.03732	3.9
391.04657	9.2
392.05353	5.6
393.06223	33.7
394.06525	5.2
401.03159	18.1
403.04681	42.6
404.05109	6.2
419.04169	25.2
420.04672	5.1
421.05734	64.7
422.05981	3.6
429.02667	14.1
437.04800	4.3
445.07672	2.7
446.01901	2.2
447.03552	12.9
447.09442	10.8
465.04703	97.6
466.05161	8.8
477.71039	1.8
507.05716	3.9
547.05267	8.0
565.06378	49.1
566.06836	4.3
583.07379	42.0
584.07507	4.2
729.16614	3.0
755.14886	7.8
773.15863	81.1
774.16516	11.2
774.96057	2.2
891.18494	56.6
892.18994	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	893.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78310	0.1
67.99312	0.1
69.03351	0.1
69.36482	0.6
69.36894	0.2
71.01288	0.3
71.04906	0.2
74.89948	0.1
80.02567	1.3
81.03351	1.5
83.01279	0.3
83.04918	5.6
84.02061	1.8
84.05279	0.1
84.56517	0.1
85.02858	0.1
86.45683	0.1
89.02348	0.2
90.50178	0.1
93.03359	0.1
95.04941	0.8
96.95928	0.1
97.02854	0.1
97.06503	0.3
101.02364	0.2
108.67673	0.1
109.02896	0.1
109.06519	0.3
111.08040	0.2
122.03683	0.1
122.69754	0.1
125.02360	0.4
125.06013	0.7
125.09671	0.3
127.11150	0.1
135.02916	0.1
135.04445	0.1
135.08098	0.9
137.02339	0.1
145.10107	0.1
147.11758	0.2
149.02435	0.1
151.00270	0.1
151.03987	0.1
153.12830	0.2
155.14352	0.1
163.11235	4.9
164.11545	0.2
165.05428	0.1
165.12801	3.3
169.12280	0.1
173.09734	0.1
177.01907	0.1
178.97009	0.1
178.99878	0.1
181.12335	0.7
191.10742	1.3
199.13373	0.5
209.11818	100.0
210.12158	3.9
210.14180	0.1
227.12889	45.1
228.13214	2.2
503.34076	0.6
623.82263	0.1
665.38782	0.1
804.71411	0.1
847.77521	0.1
880.68335	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02283	4.3
65.00208	7.9
69.41902	5.4
69.42320	1.7
71.01304	2.3
83.01274	5.1
85.02863	0.8
89.02367	1.4
95.01334	0.9
96.95957	3.3
101.02402	1.2
107.01295	17.4
107.01939	1.1
108.02166	1.0
113.02397	0.9
119.04975	1.1
121.58834	0.7
124.01623	1.6
125.02367	5.8
135.00853	1.0
135.04442	1.6
137.02417	1.8
149.02470	1.5
149.44420	0.7
151.00311	51.7
152.00854	1.4
153.01955	0.8
155.04909	1.0
161.02417	0.8
163.00372	2.9
164.01158	2.2
165.01944	1.6
165.05438	0.8
169.01393	9.3
169.02660	1.1
177.01941	1.6
178.99825	51.7
180.00201	2.1
183.04539	1.3
187.02492	1.4
190.99875	1.2
192.00664	2.7
193.01381	6.1
195.06660	1.8
199.04153	1.4
205.01434	1.6
211.03975	1.7
217.01501	1.0
221.08340	1.0
225.01971	1.3
226.02847	1.0
227.03490	13.5
229.01643	0.9
233.01013	0.8
239.03534	0.9
241.01740	1.0
243.03058	1.2
253.01479	2.0
254.02374	2.6
255.03012	15.3
256.03531	0.8
265.05103	1.5
266.02347	0.7
268.94711	0.7
271.02597	2.8
277.05264	1.5
279.06659	0.7
280.03879	1.1
281.01071	2.4
283.02573	1.8
293.04642	1.7
299.02258	1.0
300.02905	3.0
301.03616	2.8
303.03076	0.8
305.04663	2.2
309.00595	0.8
309.04132	1.2
317.04736	0.8
321.04190	2.3
322.04944	1.1
323.05646	1.0
332.03241	1.3
333.04126	4.5
334.04852	1.6
335.02292	1.3
335.06018	1.0
337.03787	1.3
348.02780	0.9
349.03644	4.5
350.04239	1.1
351.05270	3.8
361.03513	4.3
363.05215	1.5
364.02313	1.0
365.02966	2.4
367.04874	1.1
377.03012	4.4
378.03830	1.8
379.04700	5.2
381.02606	2.1
389.03073	3.8
390.03400	0.8
405.02789	3.2
406.03555	1.7
407.04117	11.2
417.02518	4.6
433.02106	2.4
435.03687	4.5
436.04312	0.8
443.11856	1.0
447.09720	4.0
461.01785	1.3
465.46503	0.7
483.03021	0.8
485.05807	1.0
501.04715	1.2
513.04626	2.5
529.03278	0.7
540.03491	4.0
541.04224	10.2
557.03766	2.1
558.04309	5.6
559.05212	6.4
569.03876	8.6
587.04773	26.9
588.05200	1.9
631.35016	5.9
673.36200	2.0
703.09912	1.0
715.27930	1.3
731.08752	1.4
733.10522	9.1
734.11096	1.4
749.10150	100.0
750.10651	13.7
773.08893	0.8
894.98254	1.6
895.15912	28.3
896.16937	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	895.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	0.6
65.00210	0.8
69.46947	0.7
69.47359	2.1
78.27864	0.3
83.01293	0.4
107.01281	2.5
108.02057	1.0
109.02207	0.4
109.02853	1.5
114.14332	0.3
119.01246	0.4
121.02839	2.3
134.85423	0.3
135.00781	0.7
146.20561	0.3
148.01614	0.9
149.02316	0.7
151.00302	11.0
153.01891	0.3
157.56184	0.3
159.04420	0.4
163.00311	2.7
178.99812	5.6
187.03908	0.5
190.99832	0.4
201.05565	0.5
211.03987	1.6
215.03349	0.6
218.33153	0.3
226.02727	1.1
227.03539	2.3
228.04166	0.4
229.04999	1.1
239.03534	0.4
243.03009	5.6
245.04526	1.8
254.02235	1.4
255.03024	16.6
256.03476	0.9
271.02527	32.9
272.03076	2.0
273.04095	1.0
283.02524	1.8
299.01968	1.3
300.02795	66.2
301.03555	48.1
302.03925	2.1
447.09390	100.0
448.09772	8.1
709.95319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	2.5
69.66908	9.5
71.01281	9.5
73.02876	2.0
75.37148	1.4
81.03366	2.1
83.01292	1.9
83.04939	3.5
85.02868	2.0
85.88862	1.4
87.00801	3.5
89.02354	6.0
95.04939	2.2
97.02879	2.4
97.06512	3.9
101.02331	8.1
111.08073	17.8
113.02351	4.3
119.03409	2.0
123.04434	2.8
123.08105	1.8
125.02409	1.6
125.09673	6.9
126.63634	1.3
127.07581	1.6
137.09648	6.3
140.77481	1.3
143.03415	2.2
151.11212	1.6
161.04483	3.8
163.11293	9.3
165.12811	3.4
169.12256	5.2
171.10272	1.8
179.05571	1.8
181.12395	2.3
183.13774	1.7
185.11794	8.3
191.14401	8.3
197.11813	86.1
198.12167	3.1
199.13397	3.4
207.10361	3.2
209.11829	19.7
211.13382	14.1
225.11360	4.3
227.12883	2.9
235.08255	8.0
237.11374	5.0
245.19107	17.3
253.09334	34.2
263.20248	7.4
263.71045	1.4
265.18234	5.2
271.17169	3.6
289.18152	88.5
290.18414	6.4
291.19733	35.3
307.19205	87.2
308.19553	4.0
309.20786	100.0
310.21072	4.8
445.20575	1.9
525.27039	4.0
528.66962	1.9
543.28070	4.0
545.29761	3.3
835.49011	2.8
899.17334	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	895.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66799	1.9
70.72542	2.0
70.72876	6.5
70.84708	2.2
71.01256	9.8
73.02787	2.4
85.02827	3.5
87.00754	4.4
89.02311	5.1
90.35446	2.5
97.06479	5.5
101.02318	9.4
109.06369	2.4
111.08073	13.1
113.02329	4.5
125.09589	3.7
137.09561	2.5
149.17749	2.3
156.53185	2.2
161.04547	2.6
163.11191	8.0
165.12848	3.8
167.10759	3.7
169.12282	5.8
179.05624	2.5
181.12241	3.7
185.11775	6.9
191.14380	8.1
197.11794	68.8
198.12029	2.9
199.13347	5.2
207.10199	3.0
209.11792	16.9
211.13342	12.1
235.08171	7.1
237.11311	3.7
245.19096	15.2
253.09328	32.3
263.20197	12.3
271.17123	2.9
289.18158	70.4
290.18399	3.0
291.19800	19.5
307.19205	80.0
308.19604	6.3
309.20773	100.0
310.21100	6.5
312.53781	2.5
445.21027	3.2
525.27026	3.1
543.28021	5.6
545.29871	4.3
573.65076	2.7
648.61407	2.7
835.48541	3.7
895.48639	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	897.487
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	0.4
69.02871	0.2
69.03314	3.1
71.01269	15.4
71.04902	0.8
71.56993	0.3
72.99194	1.1
73.02826	1.7
74.60008	0.2
75.00764	0.4
81.03345	0.9
83.01267	1.5
83.04919	0.6
85.02841	3.5
85.06469	0.4
87.00776	3.2
89.02335	11.7
89.30364	0.2
89.36404	0.2
91.03947	0.2
93.03335	0.4
95.01274	1.3
95.04903	0.8
96.95918	0.2
97.02837	2.0
97.06479	0.4
99.00768	1.0
99.04414	0.3
101.02345	11.5
102.02681	0.3
109.02839	0.3
109.06503	0.4
111.00784	0.3
111.04389	0.4
111.08065	0.7
113.02352	5.9
113.09631	0.3
119.03422	3.5
123.04501	0.2
125.02367	3.9
125.09631	0.5
131.03391	0.6
133.04982	0.3
133.10184	0.2
135.11703	0.3
139.03897	0.3
139.15541	0.2
141.01845	0.4
141.09129	0.2
143.03423	2.3
145.04999	0.2
149.04489	0.4
149.09671	0.7
159.03006	0.2
161.04512	2.5
161.13319	0.3
167.03362	0.2
167.10727	3.0
168.11119	0.2
169.12291	0.2
171.10213	0.3
177.12778	0.7
179.05573	3.3
179.10791	1.2
179.14377	3.3
181.12357	0.2
185.04556	0.4
193.12343	0.2
195.13884	15.8
196.14340	1.0
199.06143	0.2
199.11888	0.2
203.05644	0.2
205.12317	8.2
205.15639	0.3
206.12711	0.3
209.11937	0.2
211.13406	0.8
217.07137	0.3
221.06621	1.6
223.13393	70.1
224.13774	3.1
225.14955	0.7
228.13692	0.7
231.21329	0.3
235.08238	3.8
253.09309	0.8
256.13239	1.0
263.07733	0.3
265.14438	0.2
265.21777	0.5
275.20184	4.8
276.20505	0.2
287.07733	1.2
291.19714	0.6
292.19864	0.3
293.21283	100.0
294.21606	6.1
305.08737	1.3
309.20663	0.2
317.21249	0.4
323.09668	1.0
335.22720	0.2
340.46368	0.2
379.12506	2.8
397.13577	31.7
398.13824	1.5
415.14648	11.3
416.15024	0.6
499.34052	0.9
603.26691	4.8
604.26715	0.5
621.27753	10.5
622.27911	1.1
636.25964	0.4
673.34735	1.9
674.34509	0.4
691.35681	2.6
692.36115	0.4
828.42438	0.2
897.48572	2.5
898.49231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36011	0.7
69.03337	1.5
71.01275	3.3
75.00737	0.7
81.85327	0.6
85.02843	1.7
87.00744	1.4
89.02335	1.8
97.02839	1.0
98.19778	1.7
100.51640	0.6
101.02357	4.6
108.13802	0.6
109.06515	0.9
111.08068	13.4
112.08432	0.7
113.02373	2.9
119.03414	0.8
127.07530	1.4
135.02946	0.7
143.03487	0.7
151.04024	0.6
153.12791	1.1
161.04523	1.7
169.12303	5.3
181.12285	0.9
197.11809	65.4
198.12131	2.0
199.13358	2.9
211.13412	11.0
227.12840	1.9
235.08240	2.6
247.20894	0.9
253.09319	22.9
263.20123	4.2
265.18213	1.7
273.18622	0.7
291.19730	21.6
292.20053	1.4
309.20779	100.0
310.21136	6.5
390.87515	0.8
427.36758	0.7
433.21008	1.6
527.28711	2.3
545.29541	6.2
601.41095	2.4
897.43213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02250	0.6
65.00194	0.9
65.59689	0.5
69.00531	0.5
71.01289	0.6
83.01257	0.6
91.01833	0.6
93.03354	0.6
94.34230	0.4
95.04923	0.4
98.20535	1.5
103.79372	0.5
107.01268	1.8
108.02090	1.1
108.81650	0.4
109.02858	18.2
117.03387	0.4
119.04943	1.3
120.54856	0.5
121.02845	2.1
123.04431	8.8
125.02341	1.5
133.02855	3.1
135.00813	0.6
135.04376	0.6
137.02388	1.5
145.02869	1.1
147.04475	2.2
148.01640	0.8
149.02333	0.8
150.03172	1.0
151.00311	7.6
151.03925	5.2
153.01910	0.6
159.04449	1.1
161.02382	5.8
162.03137	1.0
163.00299	1.7
163.03940	1.5
164.00781	0.4
175.04012	0.8
176.01117	0.7
177.01888	17.2
178.99809	3.2
187.03958	1.6
188.04686	0.8
189.01895	38.0
190.02660	8.5
191.03477	7.5
201.01807	0.6
203.03474	4.4
205.08679	0.6
211.04016	0.7
216.00636	6.1
216.04163	0.6
217.01405	29.1
218.02051	2.4
219.03004	10.5
220.03348	0.5
227.03496	1.6
229.05086	1.1
231.03011	9.9
232.03612	0.8
233.04478	1.0
243.02983	4.7
244.03386	0.6
245.04539	1.1
245.08298	0.8
251.07013	0.6
254.02325	0.9
255.03014	12.8
256.03360	1.9
257.04019	0.6
271.02521	20.2
272.02966	3.8
273.03384	1.6
281.04691	1.6
283.02588	1.0
289.07263	1.7
297.07617	2.1
299.02344	0.7
299.05511	4.0
300.02798	39.7
301.03525	32.0
302.03638	7.2
303.03967	3.5
304.04279	1.0
305.04266	0.5
323.05612	1.4
341.06711	74.7
342.06995	5.4
447.09390	44.7
448.09769	7.6
449.09915	6.9
450.10220	5.0
451.10431	100.0
452.10767	10.5
666.16296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98411	15.8
79.95605	24.7
80.20217	14.1
80.96394	76.9
89.60249	18.3
94.98013	17.0
102.67152	15.0
129.27563	13.0
130.46770	13.9
177.53372	19.6
197.11815	38.9
198.12239	24.4
225.00739	28.6
277.21765	19.9
293.21207	18.5
310.21155	36.1
311.21423	15.7
336.99469	16.0
341.24200	15.6
356.44873	15.1
423.73007	18.4
900.45538	100.0
901.47156	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	901.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	2.5
71.57871	1.3
83.01315	1.0
89.02318	1.1
89.50446	0.8
93.03312	1.3
96.95910	13.3
97.02814	1.1
108.02089	0.9
109.02836	3.7
121.02874	8.1
123.00772	0.8
125.02366	2.6
125.61822	0.9
135.00819	0.9
137.02386	2.2
139.03929	1.4
145.06491	1.1
147.00818	1.3
149.02362	4.1
149.99445	1.2
151.00351	7.5
159.04443	1.3
161.02405	1.4
163.00322	10.6
163.07549	1.6
164.01047	2.6
165.01819	1.7
169.01370	1.3
171.10213	0.8
175.00226	1.4
175.03908	1.4
177.01859	1.5
178.99797	4.2
187.03946	1.6
187.07535	1.4
189.99063	6.7
190.99794	2.2
191.03401	1.2
199.03934	1.2
203.03502	1.7
208.14729	1.0
209.11787	1.3
209.40338	0.9
215.03497	1.3
227.03502	1.9
231.06589	6.9
240.04248	1.7
241.05077	2.6
243.03024	1.4
243.06807	1.0
255.02902	2.7
256.03647	2.7
257.04568	3.8
259.06067	2.9
267.03119	1.4
268.03824	1.8
269.04553	2.1
271.02557	7.6
283.02600	3.3
284.03192	2.9
285.04111	15.7
287.12891	1.0
294.01788	1.7
295.02505	2.6
296.02994	1.2
297.04065	1.8
299.01996	6.1
300.02759	7.3
301.03439	3.0
311.01984	2.4
311.05713	1.0
312.03094	1.9
313.03625	11.4
314.04382	10.1
325.03531	2.3
327.05121	2.1
329.13889	3.3
335.09521	1.4
335.71289	1.1
340.02237	6.5
340.05838	2.0
341.02982	3.5
346.03265	3.8
353.06552	3.8
353.10434	1.2
355.11768	1.5
367.08209	1.3
373.12933	6.9
374.13727	3.1
381.09918	36.9
382.10324	4.8
409.09293	1.9
443.20789	3.9
449.12967	1.1
463.14145	2.0
471.20108	0.9
481.14996	2.5
482.15845	1.8
495.16626	1.2
501.32251	1.3
523.16473	5.9
524.16925	9.2
525.17261	1.2
592.23248	2.9
593.14691	2.0
593.24066	32.9
594.24420	4.1
607.45654	1.1
608.13763	3.5
752.57336	1.0
901.35095	100.0
902.35321	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04787	1.0
65.00191	5.2
65.46637	1.2
70.21066	1.2
71.01263	3.8
71.58146	1.9
76.83434	1.0
83.01270	2.7
85.02802	1.3
89.02344	2.5
93.03339	2.6
96.95885	5.5
100.99944	1.1
101.02321	1.5
107.01302	3.1
107.60146	1.1
108.20315	1.1
109.02850	3.3
117.59429	1.1
121.02866	14.8
125.02345	1.9
139.60930	1.2
145.02937	1.5
148.01605	1.5
149.02391	4.3
151.00302	12.1
159.04431	1.6
161.02367	2.2
163.00304	2.2
164.01062	1.4
173.74474	1.1
174.03001	1.0
175.00330	4.3
175.03880	1.5
176.01224	1.1
178.99826	5.0
187.03918	2.0
188.01114	1.3
189.01889	2.1
190.02599	1.3
199.03978	4.7
201.01920	1.8
202.02689	1.3
203.03529	2.0
204.04163	1.3
209.11797	6.3
211.13310	2.6
215.03345	2.4
217.05074	2.1
223.13449	2.1
227.03452	3.9
227.12758	2.1
243.03049	9.6
245.08159	2.7
255.02995	15.2
256.03680	2.5
259.10095	1.2
271.02518	56.6
272.02994	3.2
273.11349	7.3
275.20212	1.4
287.12839	2.3
291.19604	2.7
293.21307	5.5
295.21249	1.3
297.03864	1.5
299.02026	77.0
299.09250	7.0
300.02789	61.3
301.03549	24.0
302.03885	1.2
309.20715	2.8
313.03534	2.7
313.10706	2.7
317.10315	11.7
325.03580	5.1
331.11780	3.2
339.05151	2.1
345.09714	3.1
364.69955	1.3
395.11578	1.6
397.13620	3.3
399.21857	4.0
423.14316	3.7
425.19626	1.9
437.16159	1.7
443.20828	17.6
444.20718	1.8
449.12485	3.1
463.08521	2.0
463.14093	3.3
467.13565	16.1
468.13828	3.1
471.20047	1.7
481.15259	2.9
485.32874	6.7
487.33936	2.2
509.23761	1.3
575.22375	1.9
592.23096	2.5
593.23956	29.6
594.24213	4.5
607.12860	3.5
608.13989	24.3
609.14752	26.0
610.15131	2.6
635.24536	1.3
837.32117	1.6
901.35040	100.0
902.35577	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	3.8
71.01268	1.3
74.76403	0.8
89.02315	1.2
93.03332	2.2
96.95918	4.0
101.02319	0.8
107.01300	1.2
108.02077	1.0
109.02840	3.6
121.02860	11.5
123.00772	1.4
123.04413	1.0
124.01547	0.8
125.02397	3.6
125.05939	0.6
129.55888	0.7
135.00740	0.9
135.02940	0.8
135.04430	1.4
136.01567	3.6
137.02359	5.7
139.03894	2.8
145.06467	1.1
148.01579	1.8
149.02379	5.9
151.00294	2.5
151.03900	0.8
159.04388	1.2
161.02409	1.3
163.00307	10.5
163.03978	0.8
163.07605	2.1
164.01089	4.1
165.01872	2.2
172.05080	0.7
175.00352	5.3
175.03885	1.6
176.01099	3.5
177.01842	2.7
187.03889	1.3
187.07562	3.2
189.01852	1.6
189.99060	6.0
190.99817	1.9
199.03979	1.0
201.05574	1.0
202.99701	1.2
203.03539	4.8
203.07069	0.7
209.11755	1.7
211.03911	1.3
212.04504	0.7
213.05574	0.9
215.03374	1.6
227.03511	2.1
228.04228	1.1
229.01306	0.9
229.04950	1.0
231.03061	1.6
231.06628	13.5
240.04053	1.1
241.05075	2.7
243.02997	1.4
244.03551	0.9
245.04398	1.2
245.08189	1.2
255.03076	1.3
256.03757	2.0
257.04510	3.1
259.06177	3.2
263.13144	0.9
267.03113	1.7
267.13983	1.0
268.03525	0.8
269.04688	1.8
271.02554	4.0
271.05911	0.7
283.02505	2.7
284.03223	3.1
285.04092	5.0
285.14905	1.1
287.12897	1.0
289.07150	2.3
295.02615	1.2
297.03851	1.1
299.02017	3.6
300.02731	5.4
301.03482	3.1
311.01904	2.2
311.12851	0.9
312.02786	9.2
313.03589	28.2
314.04239	6.6
325.03607	4.5
327.05157	0.8
329.13943	5.1
330.14682	1.0
331.15558	1.2
340.02280	4.6
341.03149	1.5
341.06970	1.0
353.06744	3.0
355.11954	2.1
357.13364	1.1
360.50494	0.9
367.08459	1.0
373.12985	13.2
374.13528	2.8
379.08676	0.8
381.09891	21.5
382.10571	5.3
383.11148	1.5
395.07452	1.0
399.21857	2.3
401.12463	1.6
407.07889	1.3
409.09128	1.9
425.19797	1.6
443.20850	4.0
495.16846	1.5
517.31592	1.2
523.16187	13.8
524.16742	6.7
540.08868	1.1
553.28510	22.0
554.28638	0.8
575.23322	1.2
592.23553	1.3
593.24048	21.3
594.24146	3.6
605.19928	0.9
860.98834	0.8
901.35034	100.0
902.18549	1.3
902.35541	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	901.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37701	0.3
69.03326	1.2
70.62724	1.0
71.01266	13.0
72.99191	1.3
73.02850	1.9
73.29073	0.3
80.02560	1.1
81.03365	1.7
83.01272	1.5
83.04911	4.5
84.02071	0.5
85.02836	3.1
85.99963	0.3
87.00765	2.7
87.98323	0.3
89.02329	11.0
89.06028	0.3
95.01269	1.1
95.04902	0.7
96.95916	1.6
97.02852	2.1
99.00731	0.7
101.02345	10.2
111.04421	0.5
111.08070	0.4
113.02352	5.0
119.03425	3.1
125.02365	4.6
125.05946	0.4
125.09701	0.4
131.03345	0.5
133.04996	0.4
135.08084	0.9
141.01851	0.4
143.03445	1.6
146.75650	0.4
149.04433	0.4
151.00375	0.3
161.04503	2.4
163.11235	4.5
165.12881	2.4
179.05569	3.6
181.12325	0.7
183.13866	0.7
186.22243	0.3
191.10757	1.2
195.13869	4.7
196.14453	0.7
197.11775	0.5
199.06090	0.4
205.12321	0.6
209.11807	94.7
210.12140	4.3
211.13474	2.0
221.06636	1.6
223.13399	4.3
225.15112	0.4
227.12860	11.8
228.13513	1.0
235.08238	3.8
235.17122	0.5
253.09325	0.8
255.03026	0.5
256.13196	0.9
259.08276	0.4
265.21786	0.4
271.02536	0.8
275.20166	4.1
287.07794	1.5
289.18225	0.4
290.48941	0.3
293.21280	100.0
294.21609	7.5
305.08783	1.8
309.20798	1.2
314.44592	0.3
323.10034	1.1
335.22006	0.4
337.81754	0.3
379.12448	3.8
397.13568	43.0
398.14063	2.6
415.14682	12.2
416.15259	0.6
487.34351	0.9
503.33511	0.5
569.34943	0.5
589.25470	1.1
607.26160	4.3
673.34558	0.6
691.35693	0.8
692.36108	0.4
901.47974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93885	0.2
69.03342	0.9
71.01270	13.0
71.04901	0.3
71.58107	0.4
72.99201	1.3
73.02836	2.1
80.02562	1.0
81.03355	1.5
83.01279	1.5
83.04920	4.3
84.02054	0.6
85.02840	2.6
87.00764	3.2
87.04424	0.2
89.02338	10.7
93.03371	0.3
95.01277	1.0
95.04928	0.6
96.95923	1.1
97.02855	2.1
99.00774	0.7
99.04381	0.3
101.02348	9.4
109.02828	0.4
109.06514	0.2
111.04452	0.4
111.08038	0.5
113.02354	5.6
114.02721	0.3
119.03425	3.0
120.69939	0.2
121.02663	0.2
123.04446	0.3
125.02364	3.7
125.05968	0.7
131.03404	0.5
133.04964	0.2
135.08047	0.7
137.02382	0.3
139.03960	0.4
141.01883	0.2
143.03452	1.9
149.04547	0.3
153.63248	0.2
161.04507	2.4
163.11221	3.5
165.12816	2.4
167.10753	0.3
169.04794	0.2
171.10236	1.1
179.05565	3.6
179.14398	0.6
181.12297	0.7
191.10701	1.0
195.13887	6.9
196.14569	0.5
197.11786	0.3
199.13370	0.5
205.15974	0.4
209.11815	85.2
209.73766	0.2
210.12151	3.8
211.13371	2.5
217.07106	0.6
221.06725	1.8
223.13405	5.1
223.69646	0.2
224.13818	0.3
225.14874	0.5
227.12888	12.0
228.13408	0.8
231.21262	0.5
235.08235	4.6
236.08562	0.2
245.06499	0.2
251.12877	0.5
253.09389	0.9
256.13211	0.9
263.07816	0.4
265.21735	0.5
271.02545	0.8
275.20215	6.4
287.07785	1.2
291.19766	0.3
293.21286	100.0
294.21613	6.7
299.01984	1.4
300.02887	0.5
301.03262	0.3
305.08841	2.0
309.20853	1.1
317.21387	0.6
323.09912	0.9
341.23282	0.5
379.12576	3.6
397.13574	30.8
398.13818	1.8
415.14655	13.7
416.15027	0.6
485.33014	0.5
501.32425	2.2
502.32703	1.1
503.33652	0.6
589.24988	0.7
607.26263	2.2
608.26434	0.4
673.34265	1.1
691.35443	1.9
832.42004	0.3
883.48041	0.4
901.34833	0.7
901.49493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	1.3
65.77847	0.2
68.99695	0.2
71.52158	0.2
71.55988	0.4
80.06911	0.2
83.01272	0.7
89.02366	0.2
93.03339	0.3
95.01288	1.1
107.01269	2.1
108.02089	0.8
108.99247	0.2
109.02870	2.1
109.99286	0.4
110.00000	5.5
111.00785	2.9
121.02876	1.6
123.00806	1.3
124.01562	0.5
125.02354	1.0
125.99514	0.4
130.42064	0.2
135.00790	0.5
136.01596	0.3
136.98703	1.1
137.02357	0.7
137.99507	2.8
139.00294	9.7
139.03937	0.4
143.05052	0.2
145.02982	0.3
148.01553	1.1
149.02365	1.1
151.00302	9.4
151.01532	0.5
151.03934	0.4
152.01164	1.1
153.01816	0.3
159.04410	0.8
161.02377	0.7
163.00291	2.6
164.01065	1.2
164.98222	0.5
165.01758	0.3
165.99020	7.7
166.99800	4.6
168.67630	0.2
169.01357	0.7
171.04446	0.7
173.05919	0.3
174.03175	0.7
175.03937	0.8
176.01044	0.4
178.99809	7.1
180.00400	0.4
183.04456	0.7
185.02481	0.3
185.06079	0.3
187.03976	0.8
188.04692	0.2
189.01889	0.2
190.99780	0.4
192.00540	0.3
193.98567	0.6
194.99304	1.5
198.03151	0.8
199.03981	2.2
201.01843	1.1
201.05505	0.5
202.02676	0.3
203.03464	1.2
203.24593	0.2
206.99367	1.1
208.00005	0.7
211.03983	0.6
213.02094	0.2
214.02602	0.6
215.03435	0.9
216.04172	0.8
217.05243	0.3
219.02951	0.2
226.02632	1.2
227.03503	3.6
228.04057	0.3
229.01424	0.3
229.04964	0.6
231.02995	1.1
232.03624	0.4
242.02295	2.0
243.00507	0.3
243.02994	5.9
244.03694	1.2
245.04500	1.6
254.02362	0.6
255.03006	10.4
256.03491	0.6
259.02515	1.7
261.04028	0.4
270.01767	2.8
271.02521	34.7
272.03027	2.6
273.04156	1.3
283.02570	0.7
287.02020	12.1
288.02612	1.6
298.01108	0.6
299.02032	11.2
300.02789	31.2
301.03558	23.3
302.03821	1.1
315.01456	2.2
316.02283	47.0
317.03040	40.3
318.03464	2.0
401.93695	0.2
447.09393	45.7
448.09787	3.3
449.10352	0.3
461.07367	0.6
462.08130	2.1
463.08890	100.0
464.09232	6.9
663.37579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.7135
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07603	0.5
64.41656	0.6
68.89193	0.5
69.29205	1.7
69.29625	4.3
71.01267	0.7
78.95789	0.8
80.96425	0.7
108.31658	0.6
113.04335	0.5
116.86346	0.5
140.58409	0.6
171.26112	0.5
182.73154	0.6
407.33224	0.6
455.35379	100.0
456.35660	10.4
527.77838	0.7
656.49042	0.6
734.50861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14360	0.4
65.00191	0.9
71.01272	1.2
71.56211	0.5
82.53214	0.4
83.01263	0.9
87.00777	0.5
88.98684	1.2
89.02348	0.5
91.01762	0.7
92.01701	0.4
93.03360	0.7
95.01213	0.5
95.04892	0.6
102.06870	0.5
102.49017	0.5
107.01270	2.1
108.02091	0.9
109.02856	15.4
119.04920	1.0
121.02856	1.9
123.04443	7.4
125.02361	0.6
133.02864	2.0
135.00793	0.9
135.02913	2.7
147.04472	2.2
148.01605	0.5
149.02380	1.1
150.03288	0.5
151.00305	9.2
151.03897	3.5
159.04443	0.9
161.02367	4.4
163.00302	2.7
163.03864	0.5
164.01031	0.5
169.01375	0.6
175.03983	0.9
176.01105	0.5
177.01878	15.2
178.99815	5.0
187.03992	1.3
187.07642	0.6
189.01900	32.0
190.02641	7.1
191.03481	6.8
199.04004	0.9
201.01971	0.6
203.03459	4.1
205.37204	0.5
211.03992	1.0
216.00613	5.0
217.01418	28.1
218.01939	1.9
219.02983	10.8
220.03380	0.6
226.02719	1.2
227.03535	2.4
228.04224	0.6
231.02989	9.5
231.05171	0.7
232.03653	1.2
233.04636	0.9
243.02986	6.3
244.03406	0.7
245.04559	1.1
254.02264	1.6
255.03021	19.0
256.03433	1.7
257.08145	0.6
270.01752	0.5
271.02524	42.0
272.03052	3.3
273.03986	1.0
275.09409	0.8
281.04559	0.8
283.02679	0.9
289.07108	1.2
297.07742	0.5
299.02078	1.9
300.02805	81.1
301.03528	36.4
302.03711	3.4
316.02298	2.7
317.03043	0.6
323.05710	1.4
341.06723	70.4
342.07056	4.7
393.12241	0.5
449.19699	0.5
451.10440	100.0
452.10712	8.8
463.08911	90.9
464.09171	8.2
465.09552	2.5
478.53424	0.5
713.16400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	0.5
69.31518	1.6
69.31927	0.4
83.01302	0.3
96.20080	0.2
97.69995	0.2
107.01283	0.7
108.02050	0.4
109.02864	1.9
121.02865	0.6
123.04440	0.6
125.02339	0.5
133.02884	0.4
135.00845	0.4
135.04369	0.3
149.02217	0.2
151.00311	3.9
151.03911	0.2
161.02428	0.6
163.00320	1.5
169.01399	0.4
174.03139	0.4
175.04005	0.2
177.01884	0.9
178.99814	2.6
181.57999	0.2
187.03934	0.4
188.04767	0.3
189.01904	2.4
190.02629	1.2
190.99857	0.3
191.03448	0.7
198.03175	0.5
199.03938	0.7
203.03548	0.6
205.12762	0.2
211.03940	0.2
215.03471	0.2
216.00536	0.4
216.04247	0.6
217.01392	2.0
219.02937	0.7
226.02705	3.0
227.03490	1.5
231.03015	0.7
243.03006	8.8
244.03442	0.7
245.04581	0.3
254.02255	3.6
255.02998	6.2
256.03372	0.5
271.02524	40.2
272.03012	3.5
273.03802	0.3
283.02524	0.2
299.02036	0.7
300.02802	51.4
301.03513	14.1
302.03922	0.8
315.77774	0.3
316.02512	0.4
341.06714	5.1
342.07095	0.5
343.04688	0.8
451.10449	7.8
452.10446	1.0
462.08072	0.4
463.08902	100.0
464.09204	7.9
929.55060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.478
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82332	0.4
68.99708	0.5
69.03349	1.2
70.69476	1.0
70.69799	0.4
71.01270	17.7
71.04908	0.6
72.99201	1.6
73.02843	2.3
78.48219	0.5
79.95628	0.6
80.02567	1.7
81.03355	1.9
83.01279	1.8
83.04922	6.5
84.02068	1.4
85.02838	4.3
87.00770	3.1
89.02344	12.2
91.18572	0.4
95.01286	1.3
95.04913	1.2
96.41581	0.4
96.95905	7.2
97.02853	4.2
97.06512	0.6
99.00793	0.9
101.02354	11.1
107.04921	0.4
109.02826	0.6
109.06499	0.9
111.08070	5.5
113.02359	6.7
119.03416	3.1
123.04401	0.6
125.02365	6.1
125.05993	0.7
125.09602	0.6
127.07536	0.6
131.03429	0.4
137.02377	0.8
137.09660	0.8
139.03996	0.7
143.03436	2.3
147.47206	0.4
153.12787	0.8
161.04512	3.3
163.11247	4.7
165.12799	4.4
167.03410	0.8
169.12312	2.2
171.10229	3.5
171.17589	0.4
178.99826	0.8
179.05580	4.6
181.12297	1.9
183.13838	0.7
191.10725	1.2
193.12260	0.5
195.13931	0.7
197.11804	27.0
198.12077	1.1
199.05995	0.5
199.13351	2.1
201.11320	0.7
205.26685	0.4
207.10260	1.2
209.11821	100.0
210.12173	4.4
211.13373	6.9
217.07233	0.6
221.06647	1.3
222.06740	0.5
225.11307	1.4
226.11653	0.5
227.12891	14.7
235.08232	5.1
247.20654	1.7
251.12984	0.5
253.09242	0.7
259.02533	0.9
263.20016	0.9
265.18210	1.0
271.02628	1.2
273.18634	0.9
287.01996	1.2
287.07654	1.4
291.19730	22.7
292.20093	1.3
293.21231	2.8
305.08801	1.9
309.20779	76.9
310.21085	5.0
315.01581	3.8
316.02319	2.7
323.09775	1.4
325.20132	0.9
379.12503	4.6
382.82944	0.5
397.13583	40.6
398.13876	2.4
415.14645	15.8
416.14835	0.7
462.08069	1.4
501.33264	0.6
607.26086	2.5
624.14117	0.9
625.13849	0.6
655.02209	0.4
673.21783	1.2
689.34064	1.5
707.35132	2.5
806.07770	0.5
811.30389	0.5
848.24402	0.5
899.46667	0.7
917.48029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	0.8
70.41138	1.3
83.01283	0.4
98.20495	0.5
99.56133	0.4
107.01299	1.1
108.02143	0.5
121.02926	1.0
125.02405	0.7
134.03668	1.0
135.00836	0.5
135.02898	0.8
148.01625	0.7
149.02388	0.5
151.00311	6.1
161.02362	0.5
162.69141	0.4
163.00337	1.7
169.01344	0.8
178.99789	3.2
187.03860	0.4
193.05029	0.4
211.03952	0.6
220.79659	0.4
226.02805	0.6
227.03455	1.2
229.05089	0.6
242.40651	0.4
243.03008	4.2
245.04572	0.7
254.02216	1.2
255.03021	12.6
256.03485	0.7
271.02533	26.9
272.03043	2.1
273.04111	0.8
283.02441	0.9
299.02008	0.7
300.02829	58.8
301.03549	25.1
302.04077	0.7
447.09351	0.6
463.08972	0.8
524.76630	0.4
609.14746	100.0
610.15137	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	16.4
69.66442	3.0
69.66867	4.8
71.01272	1.6
75.00775	1.4
83.01267	10.9
95.01286	2.0
96.95906	1.1
98.20522	2.6
101.02330	1.7
101.71297	1.2
107.01288	37.6
108.01593	1.4
109.02856	2.4
110.14475	1.1
123.00806	1.4
124.01572	2.5
125.02369	5.8
131.01271	1.6
133.02853	1.1
135.02898	1.2
137.02342	2.1
149.01215	1.0
149.02357	4.7
151.00304	95.7
152.00938	4.5
153.01852	3.5
158.03708	1.3
161.02371	2.0
163.00365	2.4
169.01384	25.8
169.02798	2.7
172.41473	1.2
174.03116	1.5
175.00433	1.3
175.03917	1.3
177.01813	2.7
178.99818	100.0
180.00185	2.4
185.02399	2.6
187.04021	1.3
189.01932	1.3
192.00577	3.3
193.01398	17.0
197.02419	1.7
198.03136	2.1
199.04031	2.2
201.01842	2.6
203.03485	3.0
205.01270	1.3
211.03976	1.9
213.01921	7.3
214.02658	3.7
215.03378	3.5
217.01402	3.8
225.01936	3.2
227.03453	3.6
229.01355	4.5
230.02298	2.0
231.02939	1.5
233.00883	1.8
237.05725	1.5
239.03606	2.0
241.01445	9.6
242.02184	4.0
243.02960	5.7
245.00853	4.7
247.02412	1.7
251.03435	2.0
253.01459	9.2
254.02040	2.1
255.02966	4.4
257.00897	5.3
258.01627	4.1
259.02451	4.7
263.03403	1.6
264.04187	1.4
266.02133	1.6
267.03116	2.7
269.00952	10.0
270.01602	2.8
271.02435	5.4
273.00510	1.7
275.03354	2.1
277.05151	3.3
279.02951	1.8
280.00604	1.4
280.03647	2.3
281.01041	12.0
281.04153	1.8
282.01587	2.4
283.02432	3.1
285.00494	3.6
286.01233	3.7
287.01923	6.6
289.05017	2.0
290.00595	3.1
291.02969	3.7
293.04565	3.5
294.01947	1.2
295.02545	4.2
297.00461	4.8
298.01236	49.1
298.04620	2.7
299.01816	8.0
304.03775	3.9
305.04532	4.2
306.99152	2.3
307.02509	3.6
307.99741	1.5
308.03326	2.4
309.00433	3.3
309.03928	2.5
311.02087	4.0
312.02808	1.6
312.99936	3.3
313.03589	1.4
315.01440	8.2
316.02481	1.2
317.04568	2.7
318.01581	1.6
319.02521	5.0
320.03186	2.5
321.00626	2.3
321.03992	7.5
323.01947	3.3
327.01572	3.3
331.02701	2.8
332.03305	3.6
333.00562	1.3
333.04111	6.2
335.02032	6.8
336.02612	2.2
337.03702	2.6
339.01547	1.9
343.02579	2.0
345.04028	2.2
347.01935	4.1
348.02878	4.5
349.03616	13.8
350.04297	1.8
351.01443	1.9
356.01733	1.7
357.02548	3.0
359.02145	4.4
360.02405	2.4
361.03629	5.2
363.01563	6.7
364.02264	3.6
365.03119	4.9
371.01956	1.4
373.03528	1.7
375.01385	4.8
376.02545	3.0
377.03122	26.6
378.03699	2.6
379.00903	2.4
380.01746	2.3
387.01563	4.6
388.02328	5.0
389.03113	10.7
390.03867	2.3
391.01041	6.4
392.01749	1.6
393.02548	7.5
394.03021	2.1
403.01035	3.1
404.01791	4.2
405.02478	10.2
406.03006	1.9
407.03845	2.9
408.01251	1.8
415.00900	4.9
416.01895	4.5
417.02621	5.7
419.00317	5.6
420.00885	1.8
421.02051	8.2
423.03568	2.8
429.01733	1.3
432.01108	5.5
433.02078	30.8
434.02319	4.0
441.99689	2.5
443.00204	9.1
444.01239	2.2
445.07574	6.0
449.01395	1.7
451.03427	2.4
460.00797	4.9
461.01468	2.5
461.07285	2.8
483.03574	2.6
486.99210	1.3
495.03827	2.6
496.04291	1.4
499.03021	1.6
512.03796	1.9
513.04669	3.7
523.02905	4.4
539.02344	2.3
540.03265	1.9
541.04388	7.7
543.02179	3.5
551.02686	3.3
557.03802	7.0
558.04388	3.0
567.01892	4.5
569.03229	6.4
584.02374	3.0
585.03174	13.9
586.03516	1.7
587.04718	3.9
595.01575	3.4
597.09241	19.5
598.09265	2.6
601.02557	1.5
612.01685	3.2
613.02600	29.7
614.03101	3.2
631.03644	2.6
687.09998	3.9
689.08807	1.5
715.09521	2.4
731.09033	29.1
732.09320	4.7
733.10675	6.4
748.09296	1.4
749.10077	24.1
750.09955	3.1
759.08575	35.0
760.08917	4.8
776.09247	7.1
777.09534	26.2
778.09644	5.3
851.16730	3.8
879.17126	2.5
905.14197	15.4
906.14655	1.6
923.15259	24.2
924.15698	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	923.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	15.9
83.01275	12.1
90.92039	1.4
94.77107	1.4
107.01297	32.5
117.01791	1.8
123.74725	1.4
124.01582	3.3
125.02383	4.5
131.17027	1.6
137.02412	1.7
149.02361	2.1
151.00305	89.3
152.00958	2.6
153.01866	3.7
153.72517	1.4
156.88321	1.3
159.04381	1.9
163.00354	2.7
169.01373	17.5
174.03239	1.6
175.00317	1.6
178.99818	100.0
180.00113	3.8
185.02312	1.9
192.00601	2.4
193.01405	16.3
197.02367	3.6
198.03163	1.7
198.40501	1.4
199.03854	2.1
201.01924	3.5
203.03516	4.2
213.01942	7.2
214.02702	3.6
215.03465	3.9
217.01413	3.9
225.01942	2.0
227.03546	2.5
229.01469	3.7
230.02232	2.7
233.00793	1.9
241.01431	10.3
242.02228	5.7
243.02928	3.6
245.00963	4.4
246.18060	1.6
253.01454	5.4
254.02094	1.8
255.02875	1.7
257.00876	5.7
258.01709	2.6
259.02505	4.2
263.03610	2.0
265.01511	1.7
265.05115	1.5
267.02960	2.2
269.00952	10.5
270.01596	3.5
271.02402	3.2
273.00552	2.8
275.03790	2.8
277.05045	2.2
279.03070	2.7
280.03665	2.2
281.01047	12.6
282.01730	2.5
283.02625	1.8
285.00366	4.3
286.01154	4.6
287.01971	5.2
289.05090	2.6
290.00687	4.1
291.02905	2.6
293.04651	4.1
295.02597	3.0
297.00470	3.0
297.97934	3.2
298.01248	46.6
298.38840	1.7
299.01810	8.1
304.03732	2.2
305.04578	2.6
306.98972	2.8
307.02570	4.2
308.03482	1.7
309.00522	2.3
309.04077	2.7
311.02209	2.5
311.05774	1.6
312.99939	2.2
315.01639	5.4
317.04782	2.5
319.02612	5.4
321.04080	5.1
323.02118	4.0
327.01563	4.1
332.03253	3.1
333.04086	7.3
335.02020	6.1
345.04260	2.4
346.01337	1.9
347.02011	4.5
348.02811	4.1
349.03656	9.4
351.01529	4.6
359.02161	2.1
360.02948	3.0
361.03839	7.4
363.01462	4.7
364.01947	2.6
365.03061	4.3
366.03714	1.8
375.01346	4.6
376.02179	3.5
377.03070	22.7
378.03595	3.0
380.01828	3.0
387.01279	2.5
388.02097	5.1
389.03171	9.9
391.00943	7.1
392.01758	4.1
393.02606	6.8
400.99429	2.2
403.00952	2.1
404.01736	5.5
405.02567	11.6
406.03162	3.3
407.04105	2.7
415.01117	4.2
416.01718	4.2
417.02673	4.0
419.00491	4.8
420.00919	3.0
421.01978	5.0
423.03769	2.9
432.01193	4.6
433.02106	21.9
434.02750	3.0
434.69955	1.6
443.00244	7.5
445.07739	8.7
451.03278	2.3
460.00760	5.2
461.01547	4.4
461.07129	2.8
467.04178	2.2
479.02640	1.7
483.03464	2.2
485.04855	1.6
495.03522	1.9
512.04193	2.4
513.04889	2.9
523.03345	4.6
541.04315	6.5
543.02032	2.1
551.02966	5.6
557.03503	4.1
558.04895	2.7
567.02014	4.2
569.03796	4.7
584.02557	3.6
585.03162	15.7
587.04633	6.3
595.01599	5.9
597.09088	32.0
598.09491	3.3
612.01947	1.8
613.02667	34.8
614.02954	4.5
631.04346	1.7
687.09552	2.5
731.09064	26.3
732.09308	5.6
733.10449	7.2
749.10028	34.1
750.10559	4.3
759.08484	40.7
760.08252	8.1
776.09045	5.7
777.09442	36.6
778.09314	7.5
851.17456	3.3
879.16351	2.8
905.14575	13.7
923.15204	18.1
924.16156	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	923.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81255	0.8
69.03336	1.1
70.72906	2.8
71.01269	11.1
72.99204	1.0
73.02827	1.4
79.95644	0.7
80.02573	0.9
81.03345	1.7
83.01278	1.3
83.04922	3.6
83.71030	0.7
84.02052	0.9
85.02831	2.8
87.00766	3.3
89.02338	10.2
95.01283	1.2
96.67052	0.8
96.95908	5.8
97.02841	1.4
98.95477	1.4
99.00771	1.1
101.02351	9.0
103.00285	0.8
113.02338	6.3
119.03393	2.8
125.02379	4.4
135.08006	0.9
143.03462	1.8
161.04568	3.4
163.11261	4.0
165.12759	1.7
179.05573	2.7
191.10820	1.0
209.11809	100.0
210.12140	4.0
217.07109	1.1
227.12871	11.4
235.08252	4.2
251.12924	0.8
255.23315	40.1
256.23724	1.6
259.25177	0.7
287.07764	2.0
305.08881	2.0
323.09863	1.6
379.12497	12.1
397.13586	33.3
398.13544	1.3
415.14624	6.5
589.25079	3.0
607.26172	4.6
635.36932	1.8
653.37402	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00203	13.6
70.57561	1.1
71.11172	2.5
71.11517	1.1
83.01275	9.7
90.81731	1.1
95.01283	2.7
101.84039	1.0
107.01292	28.2
123.00761	2.1
124.01541	6.5
125.02345	4.8
126.89668	1.1
130.26862	1.0
135.00719	1.1
137.22879	1.1
139.00282	1.1
148.03380	1.0
149.02428	1.3
151.00307	87.4
152.01106	16.7
153.01904	5.8
158.51138	1.0
163.00311	1.3
169.01363	18.3
174.03232	1.3
177.01871	2.0
178.99818	100.0
180.00128	4.4
181.01347	1.6
183.04439	2.0
187.03937	1.8
190.99713	2.0
193.01410	12.8
198.03191	1.4
199.03961	4.7
200.48268	1.1
201.01746	1.4
201.05396	1.3
203.03464	1.7
205.01379	1.8
208.00029	2.6
213.01868	3.4
214.02588	2.1
215.03455	2.1
219.02705	1.0
226.02582	2.7
227.03508	11.3
229.01416	2.9
230.02040	1.6
231.03088	1.9
241.01434	4.1
242.02229	2.0
243.02997	6.2
244.03763	2.0
245.00882	1.7
251.03307	1.1
253.01328	4.0
254.02107	1.4
255.02934	6.2
257.00903	3.3
257.04440	1.2
258.01666	3.4
259.02548	9.2
267.03113	2.5
269.01047	5.4
270.01688	1.2
271.02588	9.0
272.03281	10.7
273.04117	8.6
273.15787	1.3
279.03079	2.8
281.00928	4.6
282.01654	3.9
283.02490	11.5
287.02121	6.6
297.00482	1.6
298.01279	15.1
299.01926	17.7
300.02606	4.2
301.03552	3.8
305.04675	1.8
307.02438	2.5
309.00336	1.7
310.01266	3.5
311.02036	6.1
312.02789	1.1
313.00162	1.2
315.01566	8.2
316.02255	4.0
319.02441	1.9
321.04071	2.6
323.01910	1.2
325.03543	8.7
327.01532	9.7
328.02155	3.4
329.03052	1.6
333.03976	1.6
336.50092	1.2
345.03952	2.6
349.03528	4.7
355.06601	1.2
361.03726	3.2
365.02994	4.8
377.03314	2.2
379.04532	4.3
389.02942	4.0
391.04623	4.9
393.02417	2.7
405.02353	1.7
407.04092	2.0
417.02496	4.0
419.04294	1.6
421.01935	2.6
422.02722	1.6
423.03494	2.5
433.02200	6.2
434.02457	3.8
435.03534	5.8
436.04095	1.7
442.00153	1.2
445.07336	2.5
451.03116	4.2
452.04001	2.4
474.08533	1.2
479.02567	3.5
597.09235	2.1
726.05243	1.6
779.11157	11.8
780.11951	1.6
885.20923	1.2
925.16974	92.3
926.17267	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	925.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00206	9.3
69.93255	3.3
69.93664	4.1
73.29551	1.3
82.07987	1.2
83.01258	7.6
91.43964	1.4
99.04376	1.3
107.01292	18.4
123.00799	1.3
124.01566	4.9
125.02328	3.5
149.02415	1.6
151.00305	83.2
152.01117	17.0
153.01851	7.3
163.00281	2.3
169.01404	14.8
175.03764	1.3
177.01895	1.7
178.99821	100.0
180.00153	2.8
181.01395	1.9
185.02359	1.7
187.03903	1.9
190.99825	1.6
193.01393	10.6
199.03990	5.0
208.00124	2.7
211.04015	1.5
213.75632	1.4
215.03539	2.8
225.01872	1.5
227.03552	6.3
229.01337	3.1
229.50537	1.4
230.02100	2.6
241.01390	3.5
243.02954	5.7
244.03644	1.6
245.00729	1.6
253.01427	2.2
255.02910	4.7
257.00931	2.5
258.01764	2.5
259.02435	7.9
263.70285	1.5
269.00964	5.2
269.04507	1.2
271.02472	8.7
272.03275	11.1
273.04077	8.1
275.01962	1.6
279.02856	1.9
281.00946	3.5
282.01837	2.6
283.02484	12.1
284.02942	1.7
285.00397	1.4
287.02045	5.2
297.00430	1.7
298.01331	14.5
299.02057	17.7
300.02679	4.1
301.03497	3.5
307.02545	1.8
309.00562	3.4
310.01169	3.5
311.01962	5.3
312.02695	1.3
315.01706	8.3
316.02243	3.9
317.04788	1.4
321.04156	2.0
325.03497	7.4
326.00592	2.2
327.01508	8.4
328.02264	2.7
329.02835	2.3
333.03824	2.6
345.04181	2.3
349.03625	5.1
361.03555	2.7
363.05096	2.3
365.02975	5.5
373.03503	1.4
377.03061	2.0
379.04541	3.1
381.06412	1.6
389.02979	4.4
391.04709	4.5
393.02505	2.5
406.03064	1.5
407.04034	3.5
416.01749	1.6
417.02594	2.9
421.01843	1.8
423.03592	2.4
433.02155	5.1
434.02759	2.4
435.03677	7.6
436.04062	1.6
445.07736	6.1
451.03098	4.7
452.04364	2.5
453.04611	1.6
475.09091	1.8
479.02264	2.1
577.72754	1.6
597.09668	1.7
779.11304	5.2
925.16931	76.8
926.17151	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	925.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00214	1.0
65.06241	0.3
69.56445	2.2
71.01270	0.3
83.01255	0.9
97.65813	0.3
98.19859	0.6
107.01291	2.4
108.02072	0.6
109.02824	1.5
119.01288	0.3
121.02863	1.3
123.00777	0.3
124.01528	0.3
125.02285	0.6
135.00804	0.7
135.04437	0.3
137.02380	0.4
145.52094	0.3
148.01627	0.7
149.02428	0.3
151.00293	9.1
151.01512	0.4
153.01912	0.6
159.04459	0.3
161.02376	0.4
163.00320	2.3
164.01184	0.4
165.08287	0.3
165.76541	0.3
169.01370	0.9
171.04434	0.4
173.63826	0.3
177.01906	0.4
178.99815	5.3
186.02890	0.3
187.03973	0.7
194.99403	0.3
199.04018	0.6
201.05519	0.4
203.03511	0.7
207.88737	0.3
211.03970	0.9
214.02684	0.4
215.03479	0.5
226.02669	0.5
227.03532	1.8
228.04042	0.3
229.05051	0.9
239.03551	0.4
242.02164	0.5
243.02995	6.6
244.03435	0.5
245.04568	1.6
254.02266	0.9
255.03017	13.4
256.03574	0.7
257.04550	0.8
258.01926	0.4
259.02441	1.1
269.00900	0.4
270.01752	1.0
271.02527	30.3
272.03003	2.3
273.04047	0.7
283.02545	1.7
285.04150	1.2
286.01196	0.5
287.02087	2.8
299.02118	1.6
300.02802	47.7
301.03552	37.4
302.00955	0.3
302.03864	2.1
314.04242	1.4
315.01614	4.2
315.04962	0.4
316.02307	1.5
329.02908	0.4
330.00162	0.4
330.03928	5.4
331.01016	0.6
331.04584	4.1
446.08209	0.5
447.09387	100.0
448.09778	7.8
449.09882	0.6
461.07510	0.6
475.08875	0.5
477.10657	16.3
478.11200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	1.2
70.19769	0.7
70.21274	1.5
70.21665	1.1
71.01268	96.5
72.01608	0.9
72.99203	6.3
73.02844	4.6
79.33690	0.5
83.01260	3.3
83.04913	2.2
85.02840	18.8
87.00770	4.6
89.02336	100.0
90.02674	1.0
95.01290	6.1
96.95950	0.8
97.02866	0.8
99.00799	0.6
101.02344	42.4
102.02654	0.7
109.60870	0.6
113.02354	37.9
119.03419	33.9
125.02361	2.2
131.03427	5.2
143.03426	12.3
149.04535	3.4
151.00273	0.9
161.04504	14.5
178.99629	0.8
179.05565	50.5
180.05930	1.2
203.05519	1.3
221.58812	0.6
226.37582	0.6
252.75858	0.7
270.76492	0.6
271.02411	0.7
301.03458	0.8
309.22168	1.8
315.01257	0.7
347.91193	0.6
375.27322	1.5
385.65988	0.6
395.26007	1.0
405.27783	2.3
423.28305	0.7
447.09222	1.4
449.27039	7.5
450.27185	1.0
461.07410	0.8
463.08984	1.0
464.65662	0.6
467.28098	80.0
468.28409	7.5
560.81085	0.7
647.34448	4.0
671.34442	4.5
677.35492	22.8
678.35632	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	926.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30427	14.3
69.50979	100.0
69.73914	13.8
71.01258	20.0
72.86373	13.6
98.19853	23.9
101.02364	17.0
110.08813	14.0
113.02441	16.6
119.69817	13.0
165.58250	15.0
209.11798	75.4
210.12178	66.4
211.12186	17.2
255.23256	40.1
256.23724	32.0
354.45245	16.1
379.12701	21.4
397.13647	39.2
398.13748	27.3
399.14169	21.0
469.33173	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	927.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67548	0.5
65.00208	7.2
67.01787	0.6
67.42619	0.5
68.99718	0.7
71.01297	0.7
71.57763	0.9
79.37289	0.5
83.01284	4.4
85.02814	0.8
93.03379	0.7
95.01289	1.6
96.99224	0.8
106.00508	2.3
107.01296	11.3
109.02856	8.4
110.00019	2.9
111.00793	5.3
121.02892	1.3
123.00805	3.9
123.04449	0.8
124.01604	1.1
124.98698	1.0
125.02360	3.0
133.02895	1.4
133.99989	1.0
135.00803	1.1
135.04404	0.5
136.98761	1.6
137.02377	1.5
137.99547	1.5
139.00299	9.1
141.01891	1.6
143.04967	1.0
145.02762	0.6
147.04483	1.1
148.01614	2.1
148.98828	1.1
149.02405	2.3
149.99522	4.1
151.00310	54.9
152.00862	2.3
153.01880	6.4
153.99033	1.5
154.99806	4.3
159.04443	2.2
161.02420	1.6
163.00327	2.1
163.03984	0.9
164.01038	0.9
164.98238	1.8
165.01917	0.8
165.98987	4.5
166.99817	4.3
168.00568	3.0
169.01425	5.4
171.04454	1.9
172.01608	0.5
173.02390	0.7
174.03171	1.6
175.00235	0.9
175.04025	4.2
177.01923	1.5
177.99030	4.9
178.99823	78.6
180.00180	3.5
180.97778	0.6
181.01375	2.2
181.98558	1.7
183.04587	0.6
185.00842	0.5
185.02386	0.9
187.03961	5.1
189.01944	1.9
189.05347	0.6
190.02707	0.9
190.99765	0.8
191.03520	0.9
192.00598	0.8
193.01407	1.1
194.99295	3.9
197.00938	3.3
197.02473	0.8
199.03926	2.6
201.01883	2.0
202.02687	0.7
203.03471	5.8
204.04048	1.1
204.97803	1.1
205.77782	0.5
206.99258	0.9
207.02902	0.8
213.01924	1.6
214.02794	1.1
215.03543	4.0
217.01495	1.5
217.05008	1.4
219.02989	1.7
222.30630	0.5
222.98825	2.1
227.03514	2.3
229.01468	1.2
230.02190	0.9
231.03017	4.8
232.03792	5.5
233.01091	0.7
233.04558	4.9
241.01480	1.2
242.02158	1.6
243.03012	7.5
244.03709	0.7
245.00861	1.2
245.04752	3.6
247.02562	1.6
255.02940	5.4
257.00955	0.6
258.01755	1.6
259.02536	4.4
260.03079	1.1
261.03891	1.6
269.00888	0.8
270.01740	1.2
271.02530	20.6
272.03012	1.9
272.30408	0.5
273.03915	0.8
275.01996	1.1
283.02570	0.6
286.01184	2.9
287.02048	34.5
288.02615	4.8
289.03610	6.3
297.00470	2.3
299.02155	5.2
300.02798	14.9
301.03574	12.6
302.03836	1.8
303.01440	3.8
304.02164	1.1
305.03140	1.8
315.01532	63.6
316.02234	23.8
317.03006	15.1
318.03406	1.0
327.07211	1.6
331.00784	0.6
332.01788	15.2
333.02545	11.1
334.02960	1.0
339.07343	0.9
343.06769	4.2
379.10446	2.7
435.09427	3.4
447.09418	20.1
448.09686	2.6
449.09827	1.2
461.07352	2.7
462.08017	1.0
463.08926	39.2
464.09131	3.5
478.07532	2.1
479.08392	100.0
480.08835	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	927.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	0.4
69.03335	0.6
70.26424	1.6
70.26775	0.6
70.82819	0.4
71.01264	22.2
71.04895	0.6
72.99196	1.8
73.02830	3.5
75.00756	0.8
81.85249	0.5
83.01268	3.2
83.04900	2.3
85.02842	6.4
87.00774	1.2
89.02334	11.3
95.01275	1.2
96.95882	0.6
97.02830	1.1
99.00766	0.8
101.02339	13.7
106.84570	0.4
107.01301	0.6
109.02801	0.6
113.02345	8.1
114.76160	0.5
119.03409	3.8
120.03576	0.4
125.02328	2.1
137.02333	0.5
139.00317	0.4
143.03397	1.3
151.00305	2.3
151.04060	0.6
155.03423	1.2
161.04433	0.9
165.05511	0.4
177.01877	0.6
178.99837	2.1
179.05582	0.5
182.49458	0.5
190.00447	0.4
203.05600	3.7
243.02924	0.6
255.02873	0.5
271.02512	2.4
300.02704	2.5
300.76935	0.4
301.03561	3.9
315.01630	0.7
316.02271	1.3
339.23035	0.7
375.26920	1.0
377.24319	0.7
377.28787	0.5
393.28192	0.8
405.28033	6.9
406.28827	0.7
407.25848	1.2
419.26022	1.1
421.27570	0.9
423.29004	1.0
447.09341	2.5
448.09845	1.0
449.26566	2.2
451.28659	1.1
455.31613	1.0
463.08755	2.3
471.30777	1.1
473.32504	0.5
479.08517	1.0
499.30765	7.3
500.31207	0.6
513.31989	2.0
517.31909	1.3
559.32898	2.1
591.30914	0.5
635.38214	0.5
661.36066	7.8
662.36450	1.0
675.37390	2.4
676.38513	0.8
679.37097	100.0
680.37378	15.9
680.49219	0.7
693.38623	7.0
694.39032	1.0
721.38165	45.3
722.38226	7.7
751.39264	1.5
763.39594	0.7
823.40759	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	929.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99707	0.6
71.01267	15.4
71.04895	0.3
71.56451	0.4
71.56828	0.3
72.99202	1.3
73.02840	2.7
75.00751	0.4
78.56728	0.2
83.01273	1.9
85.02836	4.5
87.00758	0.7
89.02335	8.4
91.66264	0.3
95.01313	1.3
96.95919	0.5
97.02824	0.6
99.00758	0.8
101.02345	10.4
109.02868	0.4
113.02352	5.0
119.03408	3.7
119.04961	0.3
123.04430	0.4
125.02376	1.5
131.03345	0.4
135.04419	0.5
137.02330	0.5
143.03439	0.7
155.03421	0.3
161.04503	0.8
162.59531	0.3
167.03490	0.4
179.03493	0.3
179.05493	0.4
193.04848	0.3
199.33209	0.3
203.05574	0.6
289.07294	0.5
375.26910	0.3
377.28622	2.0
389.28537	0.9
391.30365	0.4
393.28003	0.5
407.29642	7.4
408.29868	1.1
409.31305	0.3
409.73352	0.3
423.29120	0.8
425.30789	1.6
451.28546	0.9
453.30258	0.7
457.33539	1.8
461.10712	0.4
473.32611	1.3
475.34399	2.8
483.31256	0.3
489.58017	0.3
501.32275	2.2
503.33911	0.8
515.33862	0.7
519.33142	0.7
533.35266	0.4
561.02417	0.3
561.34412	1.3
637.39166	0.5
663.37286	0.8
681.38647	100.0
682.39069	15.6
682.48438	0.3
695.40057	2.3
696.40277	0.5
723.39752	16.3
724.40088	2.8
825.41968	0.7
885.45062	0.4
925.79700	0.4
933.19879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	12.3
71.55887	0.4
72.11410	0.3
72.99194	1.0
73.02846	2.2
75.00764	0.5
83.01291	1.6
85.02849	4.4
87.00771	0.8
88.43376	0.3
89.02336	7.2
90.02682	0.2
95.01289	1.2
96.95906	0.8
97.02862	0.5
99.00763	0.6
101.02346	9.2
109.02881	0.3
113.02361	4.9
119.03420	3.3
123.04470	0.3
125.02350	1.7
129.01897	0.3
131.03386	0.3
135.04410	0.3
137.02383	0.4
143.03430	0.6
151.00316	0.4
155.03477	0.4
159.02907	0.3
161.02370	0.5
161.04488	0.5
177.01881	0.4
178.39459	0.2
179.05658	0.3
203.05450	0.4
243.02832	0.3
339.20938	0.3
343.14288	0.2
377.28586	1.5
389.28464	1.0
391.30115	0.6
393.28094	0.6
395.29636	0.6
405.28293	0.4
407.29657	5.1
408.29907	0.6
409.31372	0.4
421.27261	0.3
423.29028	0.6
425.30521	1.2
440.64630	0.2
451.28592	0.8
453.30209	0.5
457.33179	1.2
467.31461	0.3
469.29846	0.7
470.30042	0.4
471.30798	0.4
473.32675	1.1
475.34515	2.4
476.34827	0.4
483.31525	0.3
501.32285	1.8
503.33914	1.4
515.33807	0.9
519.33441	0.7
561.34113	1.5
637.39056	0.5
663.37976	0.7
665.38983	0.3
681.38666	100.0
682.39063	14.1
682.47974	0.3
695.40314	2.7
723.39697	12.6
724.39899	2.1
753.41028	0.5
825.42401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	0.8
71.01273	16.6
72.18303	0.6
72.99191	0.9
73.02839	2.2
75.00768	0.8
76.47568	0.6
83.01263	1.8
85.02843	4.4
85.44115	0.6
87.00774	4.4
89.02341	13.3
95.01312	1.5
96.96973	0.6
97.02858	2.5
101.02348	13.1
113.02364	7.3
119.03402	3.7
125.02372	5.4
137.02316	0.7
143.03432	2.6
149.03236	0.6
161.04526	4.3
167.14325	0.8
179.05565	2.7
183.13843	6.7
193.12335	1.4
211.13387	100.0
212.13718	5.1
221.06647	0.8
235.08286	5.4
253.09248	0.8
277.21790	62.6
278.22073	3.9
287.07761	1.8
291.23297	0.7
295.83801	0.7
305.08905	2.3
323.09836	1.6
379.12552	12.3
397.13593	45.2
398.14023	2.6
415.14679	8.2
591.26581	6.3
592.27106	1.3
609.27881	5.0
657.34851	3.0
675.36200	4.5
676.36047	0.8
869.48822	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.8
71.55945	0.8
71.67208	0.7
83.01292	0.8
107.01310	1.4
109.02860	1.0
111.51920	0.6
112.38345	0.6
121.02894	1.4
148.01636	0.7
151.00305	7.2
159.04449	0.6
163.00317	2.3
178.99834	4.3
180.00246	0.9
203.03404	0.8
211.03886	0.8
214.46254	0.7
227.03535	1.3
243.03085	3.0
244.03584	1.0
245.04530	1.2
254.02339	0.8
255.03033	9.8
259.02725	0.7
271.02548	18.8
272.02917	1.9
283.02484	1.1
300.02817	45.2
301.03577	34.9
302.03918	2.1
317.02719	0.8
366.83569	0.6
447.09402	100.0
448.09729	8.8
449.09833	1.0
463.08902	0.8
698.98010	0.7
911.70715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.65783	0.4
69.03338	0.8
69.34267	3.4
71.01267	14.4
71.04902	0.5
72.99183	1.1
73.02840	2.0
74.17265	0.3
75.00741	0.6
80.02551	1.6
81.03339	2.5
81.63200	0.4
83.01275	1.6
83.04916	6.7
84.02055	1.0
85.02849	4.0
87.00764	3.1
88.06294	0.4
89.02338	11.1
95.01257	0.5
95.04901	1.8
96.95901	1.5
97.02846	2.4
97.06474	1.2
98.19830	0.8
99.00797	0.8
99.04414	0.9
99.08071	0.5
101.02345	9.9
103.95835	0.5
109.02856	0.8
109.06490	1.4
111.04417	0.5
111.08068	0.7
112.05198	0.6
113.02349	5.4
115.03928	0.5
115.07550	0.6
119.03394	2.7
121.02847	0.7
121.06483	0.4
123.00784	0.6
123.04433	0.9
123.08027	0.6
124.01581	0.5
125.02357	4.4
125.05939	0.8
125.09652	3.2
127.07543	1.4
127.11170	0.7
131.03421	0.7
135.04471	0.4
135.08066	2.5
137.02370	1.2
137.09702	0.5
139.07542	0.6
141.01906	0.7
141.09123	0.5
143.03415	1.9
147.11790	0.5
150.03156	0.4
151.00298	0.7
153.09151	8.2
153.13049	0.4
155.10672	1.1
161.04526	2.8
163.11240	6.6
165.12781	2.9
171.10216	16.4
177.09099	0.4
178.09953	1.5
179.05582	3.8
179.10730	0.5
181.12334	1.3
185.11810	3.3
191.10753	2.5
191.14360	0.7
197.11827	4.8
201.11217	0.6
207.10278	0.8
209.11810	100.0
210.12143	5.1
211.13377	1.5
219.13916	0.7
221.06696	1.9
221.11868	0.5
225.11328	0.7
227.12883	12.6
235.08228	2.3
236.10464	0.6
237.14920	0.5
238.12122	1.7
239.12856	0.4
245.06528	0.5
245.19107	1.9
253.09259	0.5
263.20099	0.7
279.19806	0.7
287.02008	0.8
287.07785	0.7
289.07288	0.8
289.18149	7.2
290.18518	0.6
297.20801	1.7
305.08948	1.1
307.19202	42.1
308.19629	2.4
315.01517	1.3
316.02292	0.6
323.09845	0.9
325.20248	26.7
326.20590	1.7
327.21912	0.7
335.22513	0.5
345.20731	0.7
363.22031	0.8
379.12497	2.6
397.13556	25.0
398.13821	1.0
415.14627	7.8
551.23773	0.6
569.24872	1.2
589.24896	0.8
607.26276	1.3
624.13416	1.0
687.32434	4.7
688.32977	0.5
705.33521	10.5
706.34021	1.1
723.33881	2.1
828.38428	0.7
829.40399	0.4
846.38867	1.1
897.45276	6.4
898.46112	1.2
915.46100	9.1
916.46698	1.4
933.47992	3.3
934.46930	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00217	1.9
71.07285	1.7
83.01254	1.8
85.02847	3.8
104.25791	1.0
105.98036	1.0
107.01292	3.5
109.02840	1.4
122.34042	1.0
123.90180	1.0
125.02351	1.0
147.03113	1.2
151.00305	14.4
160.03938	5.3
161.02394	1.8
163.00327	1.4
169.01396	2.6
171.04388	1.5
178.99796	14.7
187.02589	1.3
188.03381	1.2
191.01978	2.4
199.03896	1.5
211.03973	1.2
227.03516	3.3
229.04974	1.1
243.03082	6.0
244.03319	1.2
255.02948	9.7
256.03452	1.9
267.03021	2.4
271.02536	30.9
272.03165	6.2
273.04108	1.5
283.02484	1.8
285.04044	1.1
294.04251	2.2
295.02475	3.8
297.03986	1.9
299.02008	45.8
300.02759	35.8
301.03531	32.5
302.03900	5.9
310.03406	2.2
313.03595	7.7
322.03558	4.3
324.05139	1.4
339.03864	23.4
340.04642	14.1
446.08682	12.0
447.09384	46.8
448.09747	15.5
449.09799	3.1
482.56403	1.3
486.10492	100.0
487.10791	7.5
734.67261	1.1
764.33093	1.2
883.26575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37532	2.1
76.86685	1.3
83.01284	6.5
107.01289	24.9
112.79327	1.2
120.51569	1.2
124.01569	1.7
125.02388	7.4
133.02888	1.8
137.02391	1.5
149.02361	3.4
151.00304	80.6
152.01109	7.6
159.04500	1.9
161.02414	2.1
163.00281	2.9
164.01180	1.6
169.01393	14.8
175.00345	1.8
176.01056	1.4
177.01862	5.2
178.99814	80.4
180.00171	2.4
187.03961	2.0
189.01929	1.3
191.03351	2.4
192.00572	1.7
193.01376	13.3
194.01610	1.3
199.03922	1.8
201.01884	1.8
202.02669	2.1
202.99828	1.4
203.03458	4.7
205.01312	2.3
213.01877	3.7
214.02608	1.3
215.03502	2.9
217.01422	1.9
219.02893	4.1
225.01854	1.8
227.03453	5.3
229.01381	5.0
230.02151	1.6
231.02870	4.9
233.00815	1.6
234.03140	1.2
241.01387	3.5
242.02208	1.6
243.03001	4.7
247.02382	3.0
249.05525	1.3
251.03499	1.7
252.04201	1.3
253.01471	3.6
255.03067	6.9
257.00784	2.2
259.02484	11.7
265.05048	2.6
267.03040	5.0
269.00989	4.9
270.01648	1.8
271.02505	4.6
272.03183	6.5
277.05042	1.6
278.05896	1.5
279.03104	2.9
281.01141	6.8
281.04105	1.7
282.01685	4.1
283.02448	5.5
286.01199	2.0
287.02011	5.0
291.02701	2.5
292.03683	1.8
293.04514	5.3
295.02496	4.0
296.03189	1.3
297.00397	3.0
298.01224	16.7
299.01962	5.0
305.04626	4.7
307.02469	4.7
308.03192	2.4
309.00342	4.9
309.04025	5.5
310.01093	1.9
311.02032	7.0
312.02631	4.0
315.01572	6.1
316.02295	3.6
317.04425	2.3
319.02493	4.7
320.03513	2.0
321.03995	8.5
324.02814	3.1
324.99728	1.9
325.03461	1.7
327.01553	6.9
332.03384	2.1
333.04248	7.3
334.04623	1.9
335.01974	8.4
335.05560	2.2
337.03516	5.1
338.04175	1.6
343.02350	1.6
345.04028	3.0
347.01974	3.3
348.02716	3.2
349.03442	8.8
351.01505	22.1
351.05222	1.6
352.01938	2.9
356.01849	2.8
361.03506	6.1
362.04373	2.4
363.01382	9.2
363.05341	2.1
364.02274	6.4
365.03125	25.4
366.03946	2.6
373.03473	2.6
375.01526	5.0
376.02298	2.5
377.03058	9.4
378.03839	2.4
379.04553	4.2
380.01004	1.7
387.01114	2.2
388.02301	2.2
389.03024	16.2
390.03760	3.3
391.00806	9.5
392.01556	2.7
393.02551	33.9
394.02975	4.6
395.04373	1.8
404.01846	2.3
405.02625	6.1
406.03351	3.9
407.04077	5.4
417.02414	8.1
419.00397	2.1
422.02463	1.6
423.03577	2.3
433.01974	11.3
434.02744	4.5
435.03363	7.9
443.00015	3.1
445.07715	2.3
461.01440	2.2
469.05804	5.3
485.04785	2.0
495.03549	2.3
497.05161	4.9
513.04810	4.9
514.05817	2.3
515.05798	1.8
523.02820	1.8
525.04712	5.7
527.02606	47.2
528.03131	5.0
531.06470	1.7
541.03864	9.0
542.04932	4.9
551.02667	2.6
556.23083	1.3
557.02844	1.8
558.04236	1.9
569.03699	100.0
570.04187	16.9
571.05054	11.5
581.09387	5.8
585.03101	3.6
587.04724	6.3
597.09253	3.9
605.06073	2.2
613.02789	8.6
677.11035	1.7
689.11151	9.6
690.11981	2.3
705.10858	1.8
707.12787	3.0
715.09753	2.5
731.09119	8.7
733.10504	12.5
734.10736	1.9
749.09686	6.9
751.11536	16.3
752.11554	2.7
759.08435	11.0
760.08423	1.6
776.08679	1.8
777.09344	5.7
897.17206	18.1
898.17615	3.1
905.14526	3.7
923.14764	11.4
924.16229	2.1
941.16199	8.6
942.16779	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	941.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.2
71.28761	2.6
72.61685	1.3
83.01277	5.6
95.01261	3.0
107.01297	18.5
124.01575	4.9
125.02370	4.3
151.00301	65.1
152.01094	11.1
153.01851	4.0
163.00249	1.7
165.98988	1.7
166.99774	2.3
169.01373	14.0
170.27130	1.2
173.96852	1.2
177.01888	1.4
178.99817	71.4
180.00114	1.9
181.01329	1.3
183.87946	1.3
185.05995	1.6
193.01408	9.0
199.03883	2.2
200.71426	1.6
201.01854	1.5
213.02028	2.7
214.02809	2.0
215.03389	2.9
227.03484	7.7
229.01460	1.8
241.01485	3.2
242.02325	1.6
243.03070	6.1
244.03786	2.0
245.00891	1.8
253.01463	2.7
255.02956	4.6
257.01074	1.6
258.01672	2.2
259.02487	6.7
269.00848	3.9
271.02527	4.9
272.03281	7.4
273.04071	4.5
275.02280	2.1
279.02869	2.5
281.00894	3.6
282.01697	3.3
283.02582	11.4
287.02008	4.0
298.01169	12.8
299.01947	14.0
300.02631	1.8
301.03574	2.8
307.02533	2.4
309.00684	1.5
310.01236	2.3
311.02017	4.1
315.01544	4.2
316.02475	2.5
319.02487	1.5
321.04239	1.7
324.02481	1.4
325.03543	5.1
327.01422	6.6
328.02042	1.7
329.02985	1.9
349.03351	3.1
351.01239	1.7
361.03500	2.0
365.02963	3.0
371.06271	1.9
377.02930	1.8
379.04449	1.8
389.03226	2.7
391.04633	3.4
393.02692	1.9
407.04132	1.7
417.02481	3.1
423.03839	1.6
433.02051	5.4
435.03427	3.5
451.03033	3.6
461.07367	2.2
498.58890	1.3
633.04553	1.6
670.38733	1.7
779.12067	5.8
795.10522	5.5
856.02014	1.6
941.16418	100.0
942.16669	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	941.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	1.2
71.56432	0.7
83.01264	3.4
85.02856	0.6
89.02345	1.2
95.01250	0.7
96.90461	0.4
96.95906	1.3
107.01294	9.8
113.02345	0.6
121.02856	0.7
121.71671	0.4
124.01549	0.6
125.02366	2.9
125.89899	0.4
129.04723	0.4
133.02850	1.0
135.00806	0.7
135.02925	0.6
135.04445	0.7
137.02368	1.2
139.00197	0.4
145.02820	0.5
149.02383	1.6
151.00305	24.7
152.00870	1.1
159.04424	0.7
161.02342	1.3
161.05939	0.4
163.00293	0.8
165.01872	1.0
169.01387	6.1
171.04388	0.5
174.03212	0.5
175.00314	0.7
175.03983	0.9
176.01057	1.2
177.01900	3.7
178.99806	23.2
180.00056	1.1
185.02444	0.8
187.59859	0.4
189.01863	0.6
191.03470	1.9
192.00618	1.1
193.01390	4.4
198.03081	0.5
199.03973	1.4
199.57167	0.5
201.01997	0.7
202.02660	0.7
203.03453	1.7
205.01378	1.3
211.04010	0.8
213.01901	1.6
215.03458	1.7
217.01453	0.8
219.03008	2.0
221.06056	0.6
225.02008	0.7
225.05568	0.5
227.03520	2.9
228.04164	0.6
229.01367	1.7
230.02031	0.7
231.02940	2.7
235.04105	0.8
239.03481	0.8
241.01378	1.3
241.04924	0.6
243.02931	2.1
244.03783	0.9
245.00873	0.6
247.02502	0.7
249.05576	0.8
251.03635	1.4
253.01503	0.8
254.02356	0.6
255.02986	3.7
256.03876	0.7
259.02472	4.0
261.00296	0.7
263.03601	1.3
264.04218	0.9
265.05017	2.1
267.02994	2.1
269.04630	1.1
271.02533	1.7
272.03204	3.7
275.03519	1.0
277.05042	0.9
279.02997	1.9
280.03967	1.2
281.00720	0.6
281.04623	1.4
282.01859	1.0
283.02518	1.9
283.05588	0.5
287.02042	2.7
289.04907	1.0
291.03046	1.8
292.03809	0.6
293.04672	3.6
295.02621	2.1
295.05557	0.5
296.03036	0.6
297.04013	0.8
299.01892	0.7
303.03040	0.9
305.04523	3.8
306.05209	0.8
307.02594	4.3
307.05869	0.7
308.03189	1.6
309.00751	0.6
309.04010	3.4
311.02029	2.0
312.02914	1.4
313.03738	1.0
315.01425	2.3
316.02478	0.7
317.04910	2.1
319.02695	2.2
319.05939	0.6
320.03204	0.8
321.04059	4.5
323.01947	1.2
324.02823	3.2
325.03574	0.9
327.01486	0.9
331.02609	0.8
332.03098	0.7
333.04059	4.1
334.04718	0.7
335.01984	6.9
335.05743	1.9
336.02780	1.3
337.03580	4.4
338.04257	0.9
339.01428	0.8
343.02148	0.5
345.04150	1.6
347.01926	1.7
348.02747	1.2
349.03616	5.9
350.04398	1.0
351.01486	19.7
352.01822	1.5
356.01819	1.0
357.02444	2.1
361.03574	3.7
362.04504	1.0
363.01440	6.8
363.05261	1.0
364.02240	4.2
365.03064	20.1
366.00125	1.5
366.03821	1.0
367.04651	0.7
371.02042	0.6
373.03552	1.6
375.01443	4.0
376.02271	0.6
377.03107	1.4
378.03445	0.8
379.04660	1.3
384.01251	0.6
387.01288	0.6
388.02469	0.9
389.03131	8.5
390.03848	1.5
391.00735	5.9
392.01828	2.6
393.02582	29.1
394.02951	2.6
395.04184	2.4
405.02747	1.0
406.03540	1.0
407.04251	5.3
415.00797	0.9
416.01688	1.0
417.02548	3.3
423.04016	0.9
425.06390	0.6
433.02496	0.7
435.03922	1.3
439.04535	0.8
441.06424	0.8
443.04245	1.6
451.04196	0.6
455.04285	0.5
457.05786	0.6
463.08914	0.6
467.04150	0.5
469.05670	3.1
483.03476	0.9
485.05374	2.2
495.03491	0.7
497.05322	4.4
507.03317	0.6
513.04785	2.3
514.05304	2.1
515.06384	0.9
523.03229	0.6
524.04236	0.7
525.04730	5.7
526.05170	0.8
527.02637	45.3
528.02942	4.7
531.07886	1.1
541.04248	5.6
542.05029	4.3
543.05359	1.5
551.02594	1.3
557.09711	1.0
569.03699	100.0
570.04132	14.8
571.05164	13.5
572.05652	1.6
587.04950	3.5
605.05695	1.2
689.11682	9.8
690.11877	1.4
733.10516	6.1
733.22198	0.8
734.10718	0.7
751.11578	23.8
752.11719	3.7
868.58514	0.5
897.17444	24.5
898.18091	4.7
941.48206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	4.2
71.01263	26.4
71.04884	0.8
72.01641	0.5
72.99185	1.9
73.02827	4.4
73.68139	0.4
74.58327	0.5
75.00758	1.0
80.94593	0.5
81.03328	1.0
83.01275	2.8
83.04912	0.9
85.02843	6.4
85.06494	0.5
87.00764	5.5
89.02328	18.2
93.03330	0.5
95.01277	1.7
97.02841	4.6
98.19753	1.0
99.00798	1.5
101.02336	19.4
106.84769	0.4
109.06500	0.7
111.04421	1.1
113.02350	11.0
113.03091	0.4
119.03413	4.6
121.02875	0.6
125.02363	7.9
131.03407	1.2
133.05009	0.7
141.01872	0.6
143.03436	3.1
149.09604	0.7
161.04488	4.6
161.13269	0.6
167.10744	3.7
177.12791	0.8
179.05600	4.9
179.10655	1.0
179.14349	3.9
180.05836	0.4
185.04559	0.6
195.13866	12.0
196.14220	0.5
199.06117	0.5
205.12320	11.1
206.12711	0.7
213.07358	0.5
217.07074	0.8
221.06671	2.5
223.13382	100.0
224.13708	4.9
235.08226	7.3
253.09157	1.1
263.07620	1.0
277.21765	84.2
278.22107	5.9
287.07767	1.6
289.18124	0.7
291.23492	0.7
305.08804	2.1
307.19214	1.6
321.93744	0.6
323.09753	2.5
379.12521	13.4
380.12744	1.0
397.13577	61.1
398.13873	3.3
415.14664	10.9
416.14902	0.8
425.59848	0.5
505.79446	0.5
549.07458	0.5
603.26685	12.6
604.27209	1.3
621.18152	0.5
621.27655	9.9
621.36981	0.8
622.27783	1.0
657.35132	3.6
675.36139	7.1
676.36505	0.9
697.56366	0.5
881.48981	7.9
882.49695	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	941.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03290	3.2
69.59128	3.5
71.01266	20.9
72.99198	1.3
73.02837	3.4
76.68760	0.4
81.03333	0.6
83.01276	1.8
83.04914	0.8
85.02846	5.2
85.06496	0.4
87.00768	4.1
89.02334	14.4
93.03353	0.4
95.01301	1.8
95.04897	0.9
97.02863	3.1
97.06521	0.6
99.00753	0.9
101.02341	14.4
104.55606	0.4
107.92423	0.4
109.02869	0.5
109.06485	0.6
111.04428	0.6
113.02354	8.5
116.92778	1.7
119.03427	3.9
125.02355	5.8
127.04008	0.4
131.03400	1.1
139.03929	0.5
141.01883	0.5
143.03419	3.2
149.09691	0.5
161.04478	4.6
167.03549	0.5
167.10704	4.1
179.05574	5.1
179.10762	1.5
179.14348	4.0
195.13893	11.0
199.06122	0.6
205.12317	9.7
206.12589	0.5
212.79094	0.5
217.07098	0.7
221.06552	2.0
223.13391	100.0
224.13695	5.0
233.22910	0.5
235.08267	4.7
237.14948	0.5
241.66985	0.4
244.32100	0.5
259.08273	0.6
259.20703	0.5
263.07639	0.5
265.14514	0.7
277.21774	59.5
278.22144	5.2
287.07727	2.1
305.08875	1.6
323.09811	2.0
379.12506	10.5
380.12888	0.9
397.13583	43.6
398.13889	2.6
415.14597	8.3
416.15277	0.7
441.21371	0.6
603.26660	16.4
604.27142	1.7
621.27747	15.6
622.27850	1.6
634.89514	0.5
657.34985	1.8
675.36047	2.8
676.36859	1.2
881.49304	5.7
882.48724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31870	1.3
73.89964	0.1
98.19802	0.2
99.27414	0.1
102.20370	0.1
102.58387	0.1
156.49858	0.1
232.97960	0.1
295.22891	1.0
336.47464	0.1
407.33359	0.2
469.33411	0.4
471.34848	100.0
472.35242	11.4
472.42432	0.3
507.55487	0.1
523.23230	0.1
552.60468	0.1
583.76611	0.2
656.09259	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.6897
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06020	0.4
153.82449	0.1
174.41968	0.1
195.13846	0.1
277.21811	0.2
295.22824	1.4
407.33371	0.2
423.32880	0.1
469.33344	0.2
470.34116	0.1
471.34860	100.0
472.35226	11.1
673.80579	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	0.3
69.43659	0.9
69.44090	1.0
69.55614	0.2
71.88723	0.2
80.56174	0.2
90.94690	0.2
95.01283	0.9
97.92664	0.2
107.01283	1.6
107.40496	0.2
109.02874	1.1
110.00003	6.6
111.00795	3.4
111.26588	0.2
123.00792	2.3
123.71443	0.2
124.01585	2.2
125.02334	0.9
125.39573	0.2
125.99474	0.6
135.00789	0.5
136.01566	0.3
136.98715	1.0
137.02379	2.3
137.99518	3.5
139.00293	12.5
140.00977	0.4
141.01857	0.3
141.99005	0.5
145.02966	0.3
147.04449	0.2
148.82225	0.2
149.02444	0.3
151.00299	6.5
152.01123	1.2
153.01828	0.4
158.03745	0.2
159.04488	0.6
161.02321	0.4
163.00340	1.3
164.01109	1.7
164.98285	0.5
165.01866	0.8
165.99022	11.2
166.99805	5.0
169.01349	0.8
171.04448	0.4
174.03166	0.3
175.03868	0.5
176.04826	0.2
177.01860	0.8
178.99812	8.9
179.03253	0.3
180.00320	0.8
185.02422	0.4
186.03201	0.4
187.03917	1.0
189.01903	0.8
190.02602	0.6
190.99802	0.4
191.03488	0.6
192.00587	1.0
193.01350	0.5
193.98546	0.7
194.99327	2.4
199.03981	0.7
201.01892	0.3
202.02608	0.3
203.03516	1.8
204.04265	0.5
205.01373	0.8
206.99324	0.6
207.02643	0.2
208.00142	0.3
213.01929	0.4
214.02681	4.1
215.03548	1.3
216.04128	0.2
217.01425	0.6
218.02170	0.5
219.02919	0.8
220.03801	0.9
227.03442	0.9
229.01407	0.5
230.02225	0.9
231.02896	1.4
232.03722	0.6
233.00708	0.3
241.01381	0.6
242.02211	4.2
243.03004	3.2
244.03583	0.3
245.00929	0.4
246.01714	0.4
247.02429	0.5
248.02899	0.2
257.00931	0.5
258.01694	2.0
259.02469	4.9
260.03140	0.7
269.00916	0.5
270.01749	4.7
271.02518	23.6
272.02844	1.6
275.02048	0.7
286.01251	2.9
287.02017	24.1
288.02496	2.1
289.03363	0.6
303.01511	3.5
304.02118	0.5
314.00687	0.3
315.01511	7.1
316.02274	56.0
317.02936	12.7
318.03195	0.9
331.01010	1.2
332.01782	53.8
333.02469	15.5
334.02682	0.6
435.09293	0.4
463.08893	79.2
464.09222	6.6
465.09296	0.7
466.08572	0.2
477.06519	0.5
478.07343	2.0
479.08365	100.0
480.08755	7.7
699.25659	0.2
782.83844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91678	0.5
83.01281	0.5
92.70425	0.3
95.01318	0.5
107.01290	1.4
107.03436	0.3
108.02056	0.5
109.02852	1.0
110.00007	3.7
111.00792	1.6
121.02862	0.9
123.00799	1.1
124.01567	0.6
125.02333	0.5
133.02864	0.3
135.00749	0.3
136.98763	0.9
137.02315	0.4
137.99535	2.5
139.00290	5.4
141.99051	0.3
143.04863	0.3
146.03714	0.4
148.01567	0.7
149.02377	0.5
151.00298	5.5
152.01004	0.8
153.01886	0.4
155.04948	0.4
159.04437	0.5
163.00327	1.6
164.01064	0.9
164.98204	0.7
165.99005	5.6
166.99826	2.8
169.01295	0.4
171.04436	0.8
173.24374	0.3
174.03157	0.6
175.03940	0.5
177.01930	0.3
178.99808	5.1
183.04538	0.5
187.03937	0.9
189.01884	0.5
193.01317	0.4
193.98569	0.7
194.99344	1.2
198.03139	0.9
199.03963	1.8
201.01927	0.7
202.02614	0.3
203.03462	1.1
206.99283	0.5
211.03816	0.4
214.02603	0.8
215.03493	1.3
217.01367	0.3
226.02716	1.0
227.03508	3.0
229.01358	0.3
229.04964	0.3
231.03008	1.2
232.03584	0.4
242.02213	2.5
243.02977	5.0
244.03543	0.9
245.04457	0.8
254.02112	0.6
255.03032	7.2
256.03394	0.4
259.02557	2.0
260.03049	0.5
269.00702	0.3
270.01712	3.6
271.02530	29.1
271.98178	0.3
272.03012	3.0
273.03955	0.8
283.02338	0.4
287.02032	12.1
288.02689	3.3
289.03589	0.5
298.01190	1.2
299.02023	13.7
300.02798	24.7
301.03531	12.0
302.03851	1.3
315.01569	1.6
316.02292	44.4
317.03015	22.0
318.03479	1.3
461.07211	1.3
463.08917	35.2
464.09286	3.3
477.06674	0.8
478.07343	1.9
479.08380	100.0
480.08676	7.7
512.44818	0.3
950.99933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81470	0.2
81.93988	0.1
88.98708	0.1
151.53220	0.1
229.76601	0.1
299.48215	0.1
340.54608	0.1
407.33551	0.1
429.75723	0.1
463.18527	0.1
471.34863	100.0
472.35217	13.5
473.35562	1.5
474.35641	0.1
648.97931	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	1.5
67.26373	1.0
68.99673	1.3
69.03336	3.7
71.01277	5.2
71.56268	1.6
73.02832	1.1
80.02554	1.0
81.03352	9.5
82.47330	1.0
83.01270	18.0
83.04899	4.6
84.02033	1.9
85.02835	1.5
89.02338	3.8
93.03351	7.0
95.01285	3.3
95.04929	5.5
96.95899	2.4
97.02859	8.1
99.04412	4.1
101.02361	4.1
107.04906	2.8
108.02059	1.7
109.02848	14.0
113.02344	2.2
119.04955	2.2
120.02081	1.3
121.02862	9.8
122.03652	3.7
123.04411	4.8
124.01575	3.0
125.02364	100.0
126.02727	2.2
131.04893	1.2
133.02834	2.7
134.90334	1.1
135.02921	2.4
135.04448	6.9
135.05292	1.0
137.02368	87.3
138.02939	1.3
139.03932	3.2
146.03668	31.9
147.04385	4.1
149.02341	3.6
150.03090	2.2
151.00220	1.1
151.03967	6.8
154.02557	1.0
159.04453	10.3
160.05209	4.3
161.02373	2.5
161.04622	1.3
161.05997	3.8
162.03186	2.0
163.00362	1.5
163.03964	1.5
163.11238	5.2
164.01085	24.2
165.01880	55.5
165.12767	1.6
166.02219	2.5
167.03450	33.0
171.04497	1.0
172.05241	8.0
173.02368	1.2
173.05983	6.4
174.03166	13.6
174.06812	3.8
175.03984	5.7
176.04741	2.9
177.01894	10.6
178.20538	1.0
179.03473	16.1
183.10199	1.4
184.05240	1.1
185.06071	3.1
186.06754	2.2
187.03952	6.7
187.07504	1.1
188.04755	12.9
188.08354	1.1
189.05424	2.0
190.02681	2.0
191.03445	2.5
191.10728	1.1
197.05933	1.7
198.06773	1.7
199.03882	2.5
199.07632	1.1
200.04770	7.8
200.08405	2.1
201.05574	5.6
202.06406	1.3
204.04272	8.5
209.06108	2.6
209.11804	38.5
210.06801	3.8
210.12062	1.4
211.04030	2.2
211.07446	2.5
211.13382	1.6
212.04788	8.1
213.05510	1.3
214.06265	1.2
215.07162	1.2
218.05769	1.3
223.07581	2.1
224.04771	1.3
225.05634	5.8
226.06258	3.5
227.07097	2.1
227.12923	2.0
229.05028	1.2
237.05589	2.5
239.07123	1.4
243.13797	1.5
244.07344	2.4
251.07201	3.1
252.07857	4.3
253.08800	1.6
255.13985	3.1
264.07971	1.1
265.08673	1.6
266.09445	1.4
268.07440	4.7
269.08301	1.7
269.11887	7.7
269.15289	1.9
270.05292	1.1
270.08945	4.0
271.13422	39.2
272.13736	3.4
281.11798	1.3
283.13464	4.4
285.14932	4.7
287.05618	1.3
287.12967	2.6
288.06531	2.5
289.14499	14.4
294.09006	7.6
295.13541	5.0
297.15085	6.5
299.12888	10.0
300.13556	1.4
301.14514	5.3
309.15005	3.2
311.13190	1.6
313.14520	28.3
315.15921	5.7
317.13986	4.5
317.79697	1.2
320.06879	1.4
325.14520	16.1
327.15875	1.3
327.21921	1.7
331.15762	5.6
335.16632	5.0
337.14505	10.2
343.15570	7.6
349.18353	1.3
351.15967	2.0
353.17682	4.1
355.15521	4.4
369.17010	2.4
377.17584	4.0
379.15512	3.3
391.19174	2.1
393.16968	3.2
395.18799	5.3
397.16266	1.7
401.17676	2.2
413.19858	1.7
419.18707	17.2
420.19006	2.3
437.19791	10.9
438.20023	1.3
445.16602	3.8
455.20853	1.3
463.17624	7.1
481.18549	2.9
549.23828	1.3
551.24884	1.3
567.24243	7.6
591.24878	2.4
655.27606	1.6
673.28168	6.8
691.29437	1.3
699.26221	2.3
717.27039	4.9
758.91754	1.2
759.36951	2.3
777.36932	20.9
778.37671	3.2
789.37219	11.5
790.37305	2.1
801.37103	9.8
802.37579	1.3
807.38104	12.5
808.38824	3.0
819.38525	1.4
843.37500	1.9
859.40881	1.2
864.98126	1.2
883.41284	14.2
884.41321	2.0
901.40857	3.2
909.39447	8.1
910.39746	2.3
927.40393	93.3
928.40985	19.2
945.41425	74.9
946.41840	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	945.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	4.8
71.01268	11.3
71.56268	2.9
71.56635	3.2
73.69346	2.4
79.23637	2.9
80.00191	2.9
81.03339	10.8
83.01268	18.2
83.04875	2.6
83.14388	2.6
85.02828	5.1
89.02333	4.1
93.03326	8.5
95.04945	3.7
96.95918	12.0
97.02841	12.7
99.04423	5.1
99.09374	2.9
100.74767	3.3
101.02330	7.8
108.02082	3.0
109.02871	20.6
111.00708	3.2
121.02840	10.6
122.03622	4.1
123.04440	6.9
124.01540	2.8
124.23201	2.5
125.02361	100.0
128.82530	2.7
135.04385	5.5
137.02371	86.6
139.03906	2.9
146.03693	29.1
147.04420	3.2
149.02391	6.5
150.03136	4.8
151.03925	8.2
159.04436	10.2
161.02359	3.1
161.06126	2.9
163.11249	3.3
164.01093	18.7
165.01877	61.2
166.02292	2.8
167.03426	25.8
170.79018	2.8
172.05235	7.6
173.06009	7.4
174.03220	17.4
174.04446	3.1
174.06787	4.7
175.03889	4.0
177.01923	16.3
178.99825	3.1
179.03493	15.9
186.06795	2.8
187.03946	7.7
188.04744	13.8
189.05324	4.1
199.04012	3.8
199.07396	3.7
200.04698	7.4
201.05420	8.0
204.04263	7.3
209.11826	27.6
211.13435	3.6
212.04793	6.3
223.05290	2.5
225.05495	6.0
226.06265	4.0
251.07213	4.9
252.08018	4.2
268.55585	2.7
269.11798	6.6
271.13437	39.3
285.14951	8.5
287.12857	3.2
289.14447	14.9
294.09103	8.1
295.13495	3.3
297.14880	3.9
299.12894	10.0
301.14441	5.7
309.14963	4.9
313.14490	22.6
314.15073	3.1
315.15909	5.5
317.13892	7.9
319.58936	2.9
325.14523	16.3
327.21869	9.1
331.15634	7.5
337.14386	9.8
341.40787	2.9
343.15375	7.9
353.17789	3.4
355.15738	5.0
362.32700	4.0
377.17758	4.5
395.18646	6.8
413.19797	4.2
419.18732	12.2
437.19806	10.1
463.17502	6.9
567.24225	7.1
673.28424	7.5
717.27423	7.1
777.36877	19.5
789.37323	14.9
801.37079	10.3
807.38367	11.2
883.41229	10.9
909.39026	7.3
927.40350	89.4
928.40814	18.4
945.41315	91.4
946.41479	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	948.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01284	24.2
71.56751	16.0
81.33247	12.9
96.95908	15.6
143.75426	14.3
161.04558	13.7
209.11807	100.0
210.12140	43.1
211.12335	20.0
228.13200	16.8
237.80769	18.3
277.21671	36.0
278.22092	28.3
397.13602	32.3
398.13708	23.0
446.99454	14.3
471.34970	26.8
481.26514	19.3
599.97968	14.8
792.55969	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58190	12.6
75.68082	11.0
89.02331	14.1
96.95911	19.7
101.02354	13.7
125.02361	18.9
141.02679	10.8
169.90479	10.0
209.11835	100.0
210.12181	41.4
211.12248	12.8
277.21777	45.3
278.22177	21.1
300.72345	9.7
379.12601	14.9
397.13480	20.7
398.14328	15.8
399.13635	14.6
454.37994	11.5
467.18130	11.1
471.34778	34.9
472.34930	13.1
592.90729	13.0
700.53821	12.1
708.57385	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	949.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	0.8
71.01270	13.6
71.56352	0.2
72.99197	1.3
73.02837	2.1
75.00754	0.5
77.30865	0.2
80.96387	0.2
81.03350	0.9
83.01265	1.5
83.04916	0.2
85.02841	3.6
87.00776	3.1
89.02336	11.7
91.03905	0.5
92.48006	0.2
95.01270	1.0
96.95907	1.2
97.02851	2.5
97.06493	0.3
99.00776	1.2
99.08086	0.2
100.23457	0.2
101.02346	11.5
103.00189	0.3
109.02860	0.3
109.92937	0.2
111.00792	0.4
111.04430	0.5
113.02358	5.6
113.09628	1.4
115.03891	0.3
119.03421	3.7
121.02830	0.3
125.02367	5.2
131.03450	0.5
133.04996	0.4
135.04388	0.2
137.02353	0.2
139.03940	0.3
141.01900	0.3
143.03436	1.7
149.04515	0.5
161.04518	2.4
167.03377	0.3
169.05037	0.3
173.67380	0.2
177.12834	0.6
179.05579	2.6
179.14325	0.8
181.12299	0.5
195.13879	15.2
196.14183	0.5
209.11726	0.2
217.07050	0.2
221.06653	0.8
235.08234	5.2
245.06703	0.4
247.29179	0.2
251.23839	0.4
253.09183	1.0
255.23326	34.7
256.23669	1.7
259.20581	0.3
263.07687	0.5
277.21771	14.2
278.22156	1.0
287.07773	1.9
295.22833	100.0
296.23184	6.0
297.24429	0.2
305.08871	2.3
323.09933	0.5
379.12811	0.5
397.13574	64.9
398.13895	3.0
415.14645	18.4
416.14801	0.9
653.37610	7.8
654.37830	0.8
867.82739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63388	0.4
69.63802	0.6
71.04898	1.1
72.30992	0.1
83.01263	0.2
83.01987	0.2
87.30400	0.1
87.34259	0.1
89.02368	0.2
91.01777	0.1
93.03349	0.5
93.69891	0.1
103.80718	0.2
107.01290	1.0
109.02891	0.3
125.02335	0.4
132.02086	0.3
135.00786	0.5
135.02916	0.2
135.04433	0.2
137.02347	0.4
143.04961	0.6
145.06578	0.2
151.00284	1.3
153.01849	0.5
155.04910	0.2
157.06505	0.2
159.04440	0.2
161.02435	0.3
163.00285	1.1
164.01051	0.4
165.01839	0.3
167.04933	0.2
169.01331	0.2
169.06532	0.4
171.04434	0.3
178.99823	0.3
183.04480	0.4
185.06122	0.9
187.03952	1.3
189.05544	0.5
195.04454	0.4
197.06062	0.5
199.03984	0.4
201.05528	0.2
211.03970	0.9
213.05511	0.8
215.03477	0.2
227.03494	23.4
228.03899	1.5
229.05064	4.5
230.05376	0.4
239.03568	0.8
240.04196	0.4
241.05074	0.7
243.03014	0.3
255.03014	36.3
256.03625	4.4
257.04581	2.8
258.05066	0.3
267.03091	0.7
284.03314	49.2
285.04071	52.8
286.04419	3.4
300.02847	0.2
301.03665	0.2
307.61517	0.2
319.24301	1.3
327.05121	0.5
405.26474	0.5
431.09903	100.0
432.10266	9.6
432.16293	0.3
433.10577	0.5
501.31387	0.2
518.32086	0.2
519.33447	4.5
520.34033	0.6
568.22961	0.2
927.86780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	2.1
71.57343	2.2
71.57795	3.8
83.01261	16.3
85.30302	2.0
89.23755	2.1
90.19432	2.5
96.95893	13.5
98.95459	2.3
107.01286	29.0
108.86710	2.1
113.65687	1.9
117.46606	2.1
123.04395	3.2
124.01560	2.8
125.02342	10.4
135.02895	4.2
136.49452	2.2
137.02417	2.6
145.85031	2.2
151.00301	77.4
152.00943	3.1
161.02321	2.8
163.00375	2.9
163.03828	2.1
164.01093	3.6
169.01378	21.0
175.04039	2.9
177.01859	5.8
178.99823	100.0
180.00087	3.7
182.03792	2.0
189.01678	1.9
193.01358	9.3
197.02391	4.0
203.03609	2.6
217.01378	3.1
225.01936	3.4
227.03416	3.8
233.06010	2.3
237.01926	2.6
243.03032	3.7
245.00961	2.3
253.01472	9.6
255.02760	2.5
259.02560	2.5
267.02731	2.3
269.01013	3.6
271.02432	5.5
275.03625	2.3
281.00836	7.2
295.02560	3.9
300.02615	5.0
301.03568	2.8
305.04657	4.0
309.00583	3.6
309.04013	4.3
311.01730	2.5
315.01385	2.7
316.02350	2.9
319.02402	7.7
320.03043	3.5
321.04004	6.2
327.01526	3.8
331.02298	3.9
332.03351	4.9
333.04077	6.7
335.01758	4.4
337.03903	3.0
343.02103	2.5
346.01154	3.5
347.02176	7.3
348.02856	4.4
349.03537	6.6
359.02069	4.7
360.02621	3.0
361.03555	7.8
364.02206	2.9
365.03125	4.5
374.00735	6.9
375.01468	4.9
377.03171	16.7
378.03812	2.4
387.01425	9.9
388.02158	6.2
389.03125	11.6
391.00824	4.2
393.02518	3.9
400.99301	4.2
402.00201	6.3
403.00986	8.5
404.01691	5.1
405.02615	11.9
406.03427	3.2
415.00992	9.4
416.01752	10.3
417.02524	15.8
419.00220	3.8
432.01035	3.0
433.01981	13.0
443.00522	22.8
444.00735	2.5
459.00061	3.6
460.00873	6.5
461.01678	5.9
463.08875	3.7
464.03595	3.1
465.04474	3.1
475.03024	3.1
522.09741	2.4
523.02887	4.5
535.08026	3.8
541.04688	2.6
551.02753	14.1
557.03381	4.2
569.03699	12.1
583.05756	3.1
585.02826	7.4
595.02008	15.6
611.10516	9.1
613.03088	4.0
627.04285	93.3
628.04712	9.8
629.05927	2.9
715.09497	4.9
731.09094	20.6
732.10065	4.0
733.10211	7.7
741.07104	10.4
747.11365	3.3
749.09821	19.5
759.08386	19.5
760.09155	3.5
773.10175	5.2
777.08813	10.7
791.11145	58.3
792.11243	10.2
809.12439	12.0
851.17004	3.1
905.15210	6.3
923.15118	4.9
937.16882	5.7
955.18018	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	955.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56203	3.2
83.01265	10.7
101.38191	1.9
107.01299	37.6
107.01964	3.6
114.34701	1.7
125.02360	5.3
137.02391	2.4
149.02423	2.2
151.00302	80.2
151.01526	4.0
152.01025	5.0
163.00331	2.0
165.01906	2.1
169.01387	20.0
171.39963	2.3
176.00954	3.4
178.99820	100.0
180.00209	4.2
185.95752	2.2
187.03864	3.3
192.00514	2.6
193.01364	10.7
197.02609	2.2
203.03438	3.9
205.01381	3.1
213.01753	2.7
215.03474	3.7
217.01405	5.5
225.01988	3.9
227.03493	2.8
229.01456	3.8
230.02267	2.8
231.02954	3.4
241.01466	2.9
243.03006	3.9
245.00926	4.0
253.01445	7.1
254.02240	3.1
255.02962	3.1
257.00879	2.7
258.01733	2.0
259.02469	2.2
265.01358	2.3
269.01053	4.2
271.02499	9.5
278.39026	2.3
279.03125	2.3
281.00986	11.0
282.01642	2.2
283.02774	2.7
285.00323	2.3
287.02054	5.7
291.03040	2.6
293.04279	2.4
295.02716	3.0
297.00430	2.7
298.01352	7.7
299.02057	2.4
300.02866	4.9
301.03253	3.9
303.02905	4.2
304.03922	2.4
305.04279	2.6
307.02386	2.3
308.03171	2.8
309.00635	2.3
311.02045	3.5
315.01556	6.1
316.02277	8.0
317.03235	3.2
318.03925	2.5
319.02567	4.7
321.03925	2.6
324.99899	2.7
327.01517	5.4
331.02420	2.7
332.03305	4.9
333.04099	4.8
335.02002	4.0
346.01251	3.0
347.01993	4.6
349.03561	3.0
351.05453	2.6
359.02124	5.8
361.03711	7.6
363.01584	4.4
364.02145	2.6
365.03226	3.6
372.99725	2.6
374.00681	5.7
375.01648	4.7
377.03226	11.6
378.03839	2.5
387.01297	4.0
388.02216	3.7
389.03143	8.1
391.00812	4.9
393.02527	5.2
400.99567	5.5
401.93750	2.0
401.99969	5.8
403.00909	5.8
404.01599	2.8
405.02356	9.8
415.00916	8.9
416.01788	8.1
417.02676	8.4
421.01263	2.3
432.01538	3.2
433.02103	8.1
443.00510	15.0
451.03937	2.7
460.00729	4.3
461.01633	3.4
464.03857	3.3
465.10928	2.7
475.03174	3.8
495.03806	2.4
523.03101	3.4
541.04138	3.7
551.02527	8.1
569.03906	11.5
585.03180	5.6
595.01788	11.6
597.09180	3.0
609.14734	7.1
611.10687	6.0
613.02704	2.6
627.04254	72.0
628.04498	9.6
645.05573	3.1
731.08679	7.1
733.10400	4.5
749.09692	13.3
759.08307	12.5
760.09851	2.7
773.09857	4.0
777.09918	17.5
791.11121	44.8
792.11743	6.6
809.12109	12.0
923.15924	3.4
955.17566	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	955.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	2.0
71.58995	2.5
82.37125	1.3
83.01263	13.1
87.57057	1.2
93.03340	1.4
100.15990	1.3
102.60301	1.3
107.01292	28.8
119.03401	1.2
119.04932	2.3
120.48181	1.4
124.01571	2.0
125.02362	6.6
133.02856	1.5
135.02872	2.2
135.04437	1.9
137.02354	3.9
149.02390	1.6
151.00308	86.3
152.00885	4.5
163.00258	1.5
165.01830	1.7
169.01372	21.7
170.01617	1.8
171.04483	1.6
176.01093	1.7
177.01889	2.9
178.99820	100.0
180.00140	3.7
189.01833	2.2
192.00586	1.5
193.01324	10.0
197.02504	2.2
199.03926	2.1
203.03395	2.3
205.01350	1.4
213.01797	1.8
215.03590	2.0
217.01419	3.5
225.01979	3.9
226.02594	2.5
227.03474	3.4
229.01459	1.6
231.02815	3.1
238.99921	2.2
239.03384	1.5
241.01431	2.3
242.02127	1.5
243.02983	4.6
249.05618	1.3
253.01477	7.4
254.02045	1.4
255.02902	1.8
257.01080	2.3
259.02417	3.6
265.05182	1.8
267.02887	2.4
269.00925	2.6
271.02524	3.7
271.06131	3.6
277.05038	2.4
279.02917	2.3
280.98230	1.4
281.00931	8.4
284.03485	1.7
285.03946	1.7
287.01950	2.8
291.02921	3.4
293.04514	3.5
295.02426	3.4
299.02011	1.7
301.03564	4.6
303.02975	1.7
304.03906	1.8
305.01178	1.6
305.04477	4.2
307.02414	2.2
311.02029	4.1
312.02591	1.4
313.03574	1.7
315.01611	3.0
316.02216	2.0
317.03217	2.1
319.02499	7.1
320.03192	3.6
321.03882	7.3
323.01923	3.1
327.01392	5.2
331.02594	3.2
332.03241	5.9
333.04083	7.1
335.01917	6.5
337.03589	3.5
346.01224	4.3
347.01904	7.0
348.02771	4.9
349.00009	1.9
349.03659	10.4
351.01602	2.0
357.02643	1.9
359.02066	3.7
360.02750	3.2
361.03647	7.7
363.01532	4.0
364.02158	3.0
365.03113	4.4
372.99783	2.5
374.00525	7.9
375.01443	6.3
376.02298	2.2
377.03140	25.7
378.03632	4.1
387.01483	9.4
388.02258	6.8
389.03180	13.3
391.00882	4.3
393.02579	5.8
400.99390	5.5
402.00314	5.1
403.01031	9.0
404.01544	4.5
405.02679	11.1
406.03448	2.4
415.00867	8.9
416.01657	6.2
417.02701	11.3
419.00229	3.3
433.02100	13.4
435.03766	2.6
442.84198	1.7
443.00488	20.2
447.03583	2.7
447.09232	2.7
451.03018	1.8
460.00732	4.9
461.01544	4.6
464.03860	1.5
465.04611	4.4
475.02994	2.4
483.03961	3.3
495.03406	2.9
503.08606	2.1
507.03635	1.7
511.03055	1.7
512.03662	2.0
513.04596	3.5
523.03027	3.8
539.02277	1.8
540.03461	1.8
541.04504	3.1
551.02802	13.9
557.03711	5.2
558.03741	1.8
559.04742	2.0
567.02045	2.5
569.03711	16.5
583.05707	1.9
585.03253	10.3
587.04706	3.1
595.01654	14.1
596.02161	2.1
599.04681	1.7
600.05396	1.6
611.10895	6.8
613.02722	4.6
627.04291	70.2
628.04224	6.9
629.06079	1.9
631.04089	2.0
645.04840	3.9
687.09320	3.1
715.09229	4.6
731.08978	37.9
732.09106	6.2
733.10382	8.2
741.07428	5.8
747.12128	3.9
748.11176	1.7
749.10168	36.1
750.10748	2.7
759.08521	15.4
760.09381	2.5
773.09937	3.3
777.09705	14.9
778.10065	2.4
791.11145	49.8
792.11121	5.3
809.12158	7.6
851.17188	5.5
895.16168	3.6
905.14014	6.1
923.15009	4.8
937.16766	1.9
955.18219	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	957.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55470	2.2
78.24075	1.3
81.44997	1.4
83.01278	4.7
93.03353	1.4
95.01259	1.4
96.63644	1.2
107.01287	16.3
110.00038	2.4
123.00756	1.8
125.02368	3.8
132.33812	1.2
135.00797	1.7
136.98743	2.1
137.02359	2.6
139.00294	4.2
146.85550	1.2
151.00311	44.3
152.00925	1.8
163.00288	2.7
164.98198	3.3
165.98997	3.0
166.99866	6.9
169.01407	9.6
177.01981	3.1
178.99825	40.8
180.69302	1.5
193.01385	6.2
194.99336	8.9
197.02509	1.6
199.04004	2.3
201.01851	1.6
203.03490	2.3
205.01387	2.2
211.03941	1.6
213.02016	1.4
215.03462	3.1
225.01802	2.0
227.03575	4.5
229.01367	3.7
231.02986	3.9
233.04506	2.0
241.01459	2.0
242.02217	2.5
243.03036	4.3
251.03493	1.8
253.01399	2.0
255.03014	5.8
256.03726	1.5
259.02502	7.9
263.03677	1.5
265.05240	1.6
267.03104	2.8
269.00925	1.8
271.02563	3.2
272.03357	4.2
279.03040	3.8
280.03528	1.8
281.01013	6.7
281.04230	1.6
282.01453	1.8
283.02527	3.9
285.00638	2.2
287.02106	2.8
291.02963	2.8
293.04593	4.3
294.05127	1.9
295.02582	3.0
297.00372	1.7
297.03677	1.6
298.01294	4.5
299.01755	1.8
305.04596	2.8
306.05405	1.6
307.02640	4.3
308.03394	1.6
309.00470	7.6
309.03882	2.6
310.01074	2.9
311.01993	7.1
312.02780	1.9
315.01498	4.0
316.02249	2.9
317.04550	1.7
319.02399	3.0
320.03265	1.9
321.04108	3.9
323.01981	2.2
327.01627	6.9
328.02307	1.8
333.04187	3.5
335.02008	8.2
335.05652	1.7
336.02432	1.6
337.03644	4.7
347.01862	3.0
348.03119	2.0
349.03622	6.3
351.01535	15.1
356.01517	1.5
359.02042	2.2
361.03610	6.2
362.04172	1.7
363.01587	8.1
364.02347	4.2
365.03079	14.3
371.06165	1.8
373.03415	2.5
375.01559	2.9
376.02277	1.7
377.03116	6.0
378.03802	2.9
379.04907	2.2
383.05304	1.7
387.01532	2.3
389.03055	11.9
391.00742	6.9
392.01996	2.5
393.02548	25.3
394.03058	3.2
395.03915	3.6
404.02148	2.1
405.02536	3.7
407.04251	5.9
409.02048	1.8
417.02713	5.6
431.04321	1.7
433.02020	4.4
434.02835	4.4
435.03525	4.9
469.05847	2.8
485.05347	4.3
497.05078	4.4
513.04590	3.3
525.04944	5.1
527.02600	34.1
528.02942	3.6
533.05731	1.5
541.04089	6.8
542.05145	4.5
543.01038	1.8
551.02948	2.5
557.03467	1.9
569.03687	100.0
570.04181	11.1
571.05487	9.1
581.09338	2.4
585.03046	6.5
587.04883	4.8
597.09131	5.4
613.02338	2.3
677.10980	1.5
703.09955	1.6
705.11212	9.6
716.08075	1.6
723.11908	3.8
728.83746	1.8
731.08777	2.6
749.09979	9.7
765.10675	1.8
767.11560	13.3
768.11511	2.6
793.08496	1.6
913.16699	14.6
914.17432	2.6
939.15186	3.1
957.15607	5.6
967.86298	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	957.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43002	4.5
79.83179	1.1
83.01284	5.7
96.95903	2.0
107.01289	13.5
124.01561	2.7
125.02369	4.6
139.47400	1.3
151.00310	39.5
152.01141	3.3
169.01372	8.9
177.01913	3.2
178.99815	37.9
187.03772	1.5
193.01422	6.4
199.04022	1.9
213.01881	1.7
215.03526	2.6
217.05217	1.4
218.42026	1.3
219.02937	1.6
227.03520	4.2
229.01410	2.4
230.02090	2.4
231.02963	3.4
232.48656	1.4
235.04350	1.2
241.01501	1.9
243.03004	3.8
251.03563	3.6
253.01428	2.0
255.02927	5.1
259.02539	5.3
265.05130	1.5
269.00974	1.5
271.02402	2.4
272.03207	4.0
279.03122	3.1
281.00809	2.3
282.01770	2.0
283.02444	3.4
287.02115	3.6
291.03128	1.9
293.04565	4.9
295.02551	2.5
297.00607	1.4
298.01221	3.9
299.01987	4.6
305.04684	3.7
307.02554	3.8
309.00443	4.2
309.04099	4.0
311.02042	3.6
312.02893	2.1
315.01587	5.1
316.02374	2.5
317.04474	2.1
319.02557	4.6
321.04120	3.9
324.02863	2.0
324.99768	1.5
327.01498	4.2
331.02509	1.4
333.04291	2.5
335.01956	6.1
335.05383	1.5
337.03653	4.6
347.02203	1.4
348.02908	2.1
349.03757	6.0
350.04422	1.4
351.01569	18.9
351.05325	1.3
356.01859	1.7
361.03668	4.1
363.01535	6.7
364.02252	4.4
365.03192	14.1
366.03952	1.9
375.01572	3.8
377.03149	3.7
389.03055	10.8
391.01007	7.0
392.01520	2.3
393.02609	26.5
394.02975	3.8
395.04077	3.0
406.03189	2.6
407.04007	4.1
417.02774	3.2
423.03970	1.8
433.01926	3.1
435.03961	4.4
469.05658	3.1
479.08368	1.9
497.05338	3.9
513.04565	3.7
525.04657	4.6
527.02631	32.6
528.03064	4.1
541.04285	7.5
542.05005	3.0
551.02380	2.1
569.03723	100.0
570.04059	11.9
571.05310	10.5
587.04791	2.9
597.08856	2.9
605.05933	2.8
705.10883	8.0
733.10229	1.5
749.09607	7.0
767.11169	18.9
768.11450	2.8
795.11298	3.2
913.16498	14.6
914.18134	2.1
957.15820	15.6
957.52997	1.6
958.18030	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	959.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	0.6
71.56687	0.9
82.66507	0.7
93.03338	0.8
95.01277	2.2
96.99244	0.6
100.92585	0.7
106.00486	0.9
107.01304	3.5
109.02858	2.7
109.99998	1.9
111.00777	3.4
121.02845	1.0
123.00823	3.3
124.98717	1.2
125.02347	1.6
126.72408	0.6
133.02869	0.9
135.00786	1.4
136.98740	1.1
137.02359	1.4
137.99513	0.6
138.99355	0.9
139.00296	6.1
141.01833	1.1
142.85333	0.7
143.04938	1.1
143.52713	0.7
145.02805	1.0
149.02368	1.2
149.99529	1.2
151.00296	10.0
152.01021	2.7
153.01830	1.7
154.99762	3.4
155.04756	0.6
159.04431	1.8
161.02328	1.9
163.00316	2.5
163.03989	0.7
164.01102	1.8
164.98291	1.1
165.01924	0.9
165.99013	2.4
166.99792	2.4
169.01350	2.2
169.02786	0.7
171.04436	2.0
173.02328	0.8
174.03149	0.8
175.03963	2.8
177.01875	1.9
177.99025	1.4
178.99838	10.5
180.00494	1.5
181.01280	0.8
181.98509	1.0
186.03142	0.9
187.04030	4.8
189.01868	2.1
191.03409	1.0
193.01344	1.7
193.98445	0.9
194.99290	3.4
198.03091	0.7
199.03989	2.0
201.01909	1.8
202.02583	1.2
203.03488	4.4
204.04216	0.7
206.99361	1.2
207.02966	0.7
209.00797	0.8
213.01860	1.0
214.02591	0.8
215.03448	3.9
217.01396	1.6
218.02133	0.8
219.03029	1.7
222.98859	0.9
227.03535	1.9
229.01468	0.8
231.02965	4.5
232.03668	3.1
233.00905	1.0
233.04576	2.2
241.01625	0.8
242.02142	2.4
243.02972	6.2
244.03563	0.7
245.00974	1.1
245.04541	1.6
247.02579	1.5
255.03065	4.1
257.00912	1.2
258.01730	2.3
259.02515	4.4
261.03696	0.8
269.01108	1.6
270.01862	1.1
271.02505	21.7
272.02869	1.5
286.01282	4.4
287.02017	25.8
288.02655	5.0
289.03583	2.7
297.00507	1.5
299.01938	7.7
300.02814	16.0
301.03513	9.8
303.01474	4.8
304.02206	1.3
314.00845	1.0
315.01517	51.5
316.02188	17.9
317.03021	8.5
331.00824	1.6
332.01770	20.0
333.02496	5.8
353.05203	0.8
355.06598	0.7
359.06143	1.0
371.06406	0.7
395.09912	2.1
451.08887	2.6
463.08850	20.8
464.09314	2.7
467.07959	0.8
477.06726	3.4
478.07474	0.9
479.08411	30.6
480.08853	2.5
493.06018	0.7
494.07025	1.9
495.07880	100.0
496.08209	7.8
944.05145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74123	0.1
71.01244	0.2
71.04910	0.3
78.95770	0.2
83.04903	0.3
90.88101	0.1
93.03343	0.2
96.95918	0.7
98.20559	0.3
117.03374	21.8
118.03717	0.5
119.04942	8.3
121.02852	1.1
123.04439	0.3
125.02367	0.3
133.02878	0.4
142.41240	0.1
145.02884	83.1
146.03207	2.5
147.04387	0.2
162.03168	0.3
163.03951	1.9
181.12358	0.2
209.11884	0.3
247.20705	0.2
291.19684	2.3
309.17319	0.3
309.20782	4.3
310.20993	0.3
437.30490	0.2
455.31873	0.4
485.32990	1.6
487.34351	0.3
503.33868	0.5
529.32074	1.1
605.38654	0.7
649.37585	100.0
650.37927	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	961.54
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.5
69.59945	3.2
69.60359	1.3
70.26625	0.5
71.01271	13.2
72.99194	1.2
73.02831	1.8
81.03361	1.0
83.01255	1.5
85.02842	4.0
86.89812	0.6
87.00772	3.7
89.01769	0.6
89.02328	10.0
95.01273	1.1
96.95891	0.8
97.02809	2.7
99.00775	1.0
101.02336	10.8
112.01637	0.5
112.83955	0.5
113.02362	6.5
119.03384	2.8
125.02380	5.5
131.03369	0.7
141.01683	3.9
143.03427	1.7
161.04495	3.7
167.14342	0.7
179.05579	3.6
183.13849	7.9
189.48189	0.6
193.12253	1.8
211.13373	100.0
212.13741	3.9
217.07166	1.2
221.06709	1.0
231.23828	0.6
235.08299	4.5
259.08316	0.8
277.21765	49.1
278.22202	3.7
287.07806	1.4
305.08807	2.2
323.09747	1.5
379.12531	13.0
397.13580	36.9
398.13837	1.9
398.91907	0.6
415.14624	6.5
440.19775	0.6
460.09549	0.6
508.81238	0.7
591.26654	13.0
592.27014	1.2
609.27740	11.1
610.27997	1.0
645.88184	0.6
657.35052	3.1
675.36304	4.3
869.49738	2.7
874.33954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5233
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58319	0.4
71.56873	0.6
71.67470	0.4
72.47717	0.4
78.95791	26.7
88.98721	0.4
96.96857	2.5
132.37488	0.4
145.79524	0.4
150.97868	0.4
152.99518	36.3
168.86404	0.3
171.00586	10.2
172.86700	0.4
227.03200	2.6
245.04338	50.4
246.04718	0.8
249.78500	0.4
253.21759	21.5
254.22070	1.2
481.25809	100.0
482.26178	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	963.5918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	2.4
71.01271	15.8
71.56587	0.4
72.33170	0.2
72.99197	1.7
73.02834	2.5
74.39854	0.2
75.00758	0.3
75.89043	0.2
78.95786	0.7
81.03358	0.5
82.33412	0.2
83.01280	1.9
83.04903	0.4
85.02844	9.2
85.03359	0.5
87.00780	3.3
89.02336	13.8
89.91178	0.2
90.02706	0.2
90.74756	0.3
95.01294	1.3
95.04893	0.4
97.02851	3.5
97.06483	1.7
98.61215	0.2
99.00777	1.0
99.04402	0.4
101.02348	11.8
104.42504	0.3
109.02847	0.5
111.04372	0.7
113.01621	0.5
113.02362	6.1
115.03925	0.3
119.03407	3.7
119.08562	0.4
123.08101	0.3
125.02364	5.0
125.09613	0.8
127.11201	1.0
131.03426	0.6
137.02448	0.2
137.09627	2.2
139.03908	0.3
141.01791	0.5
143.03423	2.0
146.62390	0.3
152.99498	0.9
155.10712	0.8
161.04486	2.7
162.74290	0.3
165.12766	0.7
167.14340	0.2
171.10223	22.0
172.10553	0.8
177.12750	0.6
179.05562	3.5
181.12279	0.3
183.13904	1.7
185.04553	0.4
185.11765	0.8
193.12331	0.5
197.11946	0.3
199.13541	0.3
200.10376	0.2
200.73804	0.2
201.11284	1.3
203.10773	0.3
209.11832	1.0
211.13380	8.4
212.13673	0.6
217.07027	0.3
219.04858	0.3
221.06648	1.1
221.11882	1.7
229.14435	6.1
230.14539	0.2
235.08244	4.7
239.12898	1.2
244.73679	0.2
247.20735	0.4
253.09343	1.1
255.23326	34.5
256.23621	1.9
263.07736	0.6
269.24869	0.5
277.09277	0.3
287.07877	0.8
289.31995	0.3
291.19748	3.2
305.08856	1.9
309.20789	7.9
310.21259	0.4
323.09973	1.2
327.21826	100.0
328.22165	5.7
328.26059	0.4
351.21982	0.5
379.12543	1.0
397.13580	54.6
398.13922	2.9
415.14645	15.8
416.15112	0.9
565.44714	2.1
566.45135	0.4
653.37543	8.4
654.37958	0.7
707.35059	8.1
708.35712	1.0
725.36121	3.9
963.42499	0.4
963.60095	2.3
964.59790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35301	0.5
69.02283	0.5
69.03337	1.3
71.01270	16.8
71.01669	0.8
71.57890	0.5
72.99192	1.6
73.02824	2.0
78.95786	1.0
83.01278	1.3
83.04910	0.8
85.02843	4.1
87.00771	3.4
89.02336	14.3
93.03331	0.5
95.01276	1.1
95.04942	0.8
97.02829	2.6
99.00784	1.0
101.02344	12.5
111.08066	9.5
113.02352	5.9
118.83980	0.5
119.03439	3.3
125.02363	5.0
131.03400	0.8
134.17039	0.5
137.07590	0.4
137.09627	0.7
141.01820	0.9
143.03430	2.2
149.09587	0.6
152.99576	1.1
161.04488	2.2
167.10675	2.5
177.12781	2.4
179.05585	3.7
179.10730	1.6
179.14322	0.8
195.13887	12.0
196.14433	0.9
203.14499	0.5
211.13373	0.8
217.06894	0.5
221.06628	1.4
223.13400	5.4
225.14908	0.6
228.13579	1.0
229.48787	0.5
235.08270	2.7
247.20717	1.8
256.13177	1.3
263.07745	0.6
273.18610	0.7
275.20203	4.8
283.48166	0.5
287.07858	1.2
291.12900	0.7
291.19727	83.6
292.20126	5.9
293.21295	100.0
294.21625	6.0
305.08823	1.4
379.12668	2.4
397.13611	32.1
398.14053	1.6
415.14679	11.5
511.72470	0.6
567.41199	1.1
671.33154	4.5
673.34491	1.8
689.34064	11.6
690.34363	1.2
691.35535	2.5
692.35760	0.7
896.23737	0.6
965.54102	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	965.6869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27832	0.9
69.28249	2.3
72.52506	0.3
100.02111	0.3
152.99525	0.4
155.08789	0.3
161.54640	0.3
180.77051	0.3
199.56181	0.3
222.84387	0.4
246.96840	0.4
260.33600	0.3
262.21777	0.3
329.89246	0.3
407.33200	0.4
471.34872	100.0
472.35226	12.0
473.34512	0.3
600.05353	0.3
611.46002	0.3
965.68701	93.0
966.69037	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	965.6868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57000	0.5
78.95811	1.4
88.26642	0.4
96.95919	0.7
111.40882	0.4
144.80435	0.5
152.99536	1.7
171.00562	0.5
203.60857	0.5
245.04356	2.7
246.04578	0.6
254.22067	0.8
267.19537	0.4
292.68402	0.4
323.28619	0.5
471.34882	100.0
472.35217	12.6
481.25665	1.3
482.26401	2.3
483.26425	2.0
588.63239	0.5
599.23663	0.5
965.68689	92.6
966.69043	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	967.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	0.5
70.01894	0.4
71.01267	7.3
72.99197	0.8
73.02842	1.0
75.00768	0.1
78.95797	0.3
81.03343	0.3
81.94376	0.1
83.01276	0.9
83.04916	0.1
85.02842	1.7
87.00772	1.6
87.62109	0.1
89.02332	5.5
90.02596	0.1
91.03892	0.1
93.03385	0.1
93.25148	0.1
95.01297	0.6
95.04942	0.2
96.95898	0.2
97.02850	0.9
99.00751	0.4
99.04401	0.2
101.02342	5.4
102.02681	0.1
109.02843	0.1
111.00790	0.1
111.04414	0.2
111.08060	0.4
113.02355	2.7
113.09632	0.2
115.03890	0.1
119.03417	1.5
119.87645	0.1
121.02895	0.1
125.02364	1.8
125.09609	0.1
127.03896	0.1
127.04948	0.1
129.01842	0.1
131.03430	0.2
137.02451	0.1
139.03946	0.2
141.01819	0.2
141.09125	0.1
143.03406	1.0
149.04446	0.2
152.99510	0.5
159.02904	0.1
161.04509	1.4
167.03558	0.1
167.10706	0.3
169.04936	0.1
171.10229	0.1
177.12816	0.2
179.05577	1.9
179.10776	0.2
179.14371	0.8
181.12302	0.2
183.10240	0.1
185.04485	0.2
195.13876	7.9
196.14433	0.6
197.15286	0.1
205.12305	0.8
205.15935	0.4
211.13347	0.7
217.12479	0.1
221.06616	0.7
223.13390	5.5
224.13931	0.3
225.14871	0.4
228.13681	0.8
231.21214	0.5
235.08253	1.7
239.12863	0.1
245.04369	0.1
245.06680	0.1
249.18468	0.1
249.22160	0.3
253.09291	0.3
255.23338	3.4
256.13214	1.0
256.23764	0.2
263.07706	0.2
264.08273	0.1
265.21805	0.5
265.24304	0.1
275.20212	4.8
276.20538	0.4
287.07846	0.6
293.21280	100.0
294.21603	6.0
296.01221	0.1
305.08765	0.6
307.22903	0.1
317.21252	0.3
323.09909	0.5
335.22324	0.2
341.10767	0.1
379.12445	0.9
397.13562	16.4
398.13901	0.8
407.07187	0.1
415.14645	10.0
416.15250	0.5
482.25989	0.1
483.27344	2.3
484.27591	0.3
497.27380	0.1
569.42255	1.8
570.42499	0.3
581.30060	0.1
636.26324	0.2
654.27393	0.3
673.34467	1.5
674.35223	0.2
691.35590	3.0
692.36224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.7
71.01271	20.8
71.57943	0.6
71.58381	0.7
72.99187	2.0
73.02839	3.6
75.00748	0.6
81.03341	0.9
83.01269	2.0
83.04904	0.7
85.02842	4.2
87.00761	5.4
89.02333	17.1
93.16628	0.5
95.01276	1.6
97.02855	3.3
97.06492	0.4
99.00768	0.9
99.04369	0.4
101.02345	15.4
109.02821	0.5
109.06526	0.7
109.54915	0.5
111.04404	0.6
111.08067	10.8
113.02351	9.0
113.03076	1.0
115.03934	0.4
119.03402	4.8
125.02380	6.6
127.07559	1.2
131.03394	1.1
135.90303	0.4
141.01855	0.6
143.03435	2.8
151.11295	0.7
153.12762	1.1
161.04492	3.2
169.12299	3.7
179.05562	5.6
180.10851	0.4
181.12268	1.3
183.13904	0.6
197.11806	50.9
198.12119	2.0
199.13368	3.1
209.15434	1.0
211.13362	7.3
221.06575	2.2
221.11806	1.0
225.15004	1.7
227.12834	1.6
235.08252	6.7
251.16612	1.1
253.09326	0.9
263.20102	3.8
265.17999	1.6
273.18546	1.2
277.21777	50.1
278.22171	3.3
287.07681	2.2
289.18420	0.5
291.19733	20.9
291.23093	1.2
292.20044	1.0
305.08887	2.9
309.20770	100.0
310.21121	5.8
323.09802	1.2
349.70419	0.5
379.12582	3.3
397.13580	48.4
398.13892	2.5
415.14648	18.2
416.15189	0.9
500.99283	0.5
569.42114	0.7
675.35834	2.3
689.33887	2.7
707.35162	2.1
740.70093	0.5
920.17267	0.5
967.56281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5965
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99676	0.4
69.03326	1.1
71.01266	16.3
71.56743	0.3
72.99187	1.8
73.02837	2.4
75.00751	0.6
78.95770	0.2
81.03342	0.5
83.01262	2.2
83.04887	0.4
85.02842	3.9
87.00768	3.9
89.02334	13.8
89.78668	0.2
91.00520	0.2
91.03909	0.3
95.01276	1.0
95.04900	0.4
95.83031	0.3
96.95905	0.6
97.02262	0.3
97.02848	2.7
99.00786	1.5
99.04398	0.3
101.02342	13.6
109.02837	0.4
111.00812	0.3
111.04387	0.5
111.08043	0.3
113.02357	6.5
113.09624	0.3
115.03875	0.4
116.92764	0.9
119.03411	3.7
121.02850	0.4
125.02362	6.4
131.03398	0.6
133.04953	0.7
139.03923	0.7
143.03458	2.3
149.04463	0.5
161.04500	2.8
167.03453	0.4
167.10597	0.3
169.12282	0.2
179.03445	0.2
179.03976	0.3
179.05565	2.7
179.14377	0.9
185.04582	0.3
195.13876	8.4
196.14487	0.7
199.06129	0.4
205.12299	0.6
205.15950	0.5
209.34160	0.3
211.13396	0.8
221.06567	1.3
223.11137	0.3
223.13379	6.8
228.13634	1.0
231.21135	0.7
235.08231	7.9
245.06657	0.4
253.09302	1.2
256.13208	1.4
263.07794	0.7
265.21747	0.5
275.20218	4.2
277.09210	0.4
279.23337	49.1
280.23611	2.5
287.07806	2.2
293.21280	100.0
294.21622	6.4
297.89526	0.3
305.08865	3.4
323.09659	0.5
397.13574	75.5
398.13873	3.7
415.14648	23.1
416.14856	0.9
483.31735	0.4
677.37616	5.7
678.37946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	4.4
71.01274	20.6
71.57892	1.7
72.81940	1.2
72.99216	2.1
73.02852	2.0
83.01272	3.6
85.02848	4.1
87.00762	5.3
89.02335	18.0
95.01281	2.7
96.95925	2.2
97.02842	4.8
101.02357	14.4
111.08025	9.1
111.14687	1.3
113.02364	8.7
113.54625	1.5
116.92761	4.9
119.03397	4.7
124.34750	1.2
125.02385	6.6
143.03450	2.1
161.04460	4.3
167.10722	2.4
169.12308	5.0
171.10231	1.8
177.12726	1.4
179.05556	6.3
179.10612	1.4
179.14334	2.7
181.12346	1.4
191.44000	1.2
195.13921	9.3
197.11810	49.7
198.12190	1.7
199.13368	2.3
205.12329	7.6
211.13322	6.8
221.06697	2.3
223.13400	76.0
224.13638	3.9
227.12900	2.6
235.08226	6.4
255.23308	1.4
263.20377	2.3
277.21777	3.0
291.19727	23.0
305.08878	2.5
309.20779	100.0
310.21106	5.0
323.09958	2.0
379.12601	6.4
397.13562	47.7
415.14661	15.1
420.64511	1.5
485.32962	2.3
487.34164	4.1
515.33997	2.9
603.26324	8.5
621.27612	13.6
689.33997	6.6
707.34894	10.8
913.48248	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	973.6792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57771	0.2
69.58181	0.6
82.52959	0.1
96.95909	0.1
97.06474	0.2
101.58913	0.1
106.41808	0.1
106.58952	0.1
116.92728	0.3
177.01953	0.1
264.44119	0.1
270.64621	0.1
289.01883	0.1
373.24896	0.1
374.26141	0.4
375.26785	0.1
387.30695	2.3
388.31030	0.3
389.28549	3.7
390.28827	0.5
393.28104	0.1
403.25980	0.1
405.31516	0.7
406.28403	0.6
407.33728	0.2
423.32816	3.1
424.33051	0.3
425.33347	0.1
427.32431	0.2
439.28598	1.7
440.28629	0.1
446.69925	0.1
455.31732	1.0
456.32126	0.1
467.31836	1.2
468.31363	0.2
469.33298	46.2
470.33673	5.3
470.40546	0.2
485.32867	1.0
486.33133	0.7
487.34369	100.0
488.34717	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	975.695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33729	0.5
76.07446	0.0
93.17060	0.0
98.19804	0.1
108.81689	0.0
143.08388	0.1
191.76483	0.0
315.16714	0.1
351.11047	0.1
357.00348	0.0
439.32217	0.1
485.32629	0.1
486.33319	0.1
487.34369	100.0
488.34720	10.0
500.29001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6948
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59052	0.1
70.59398	0.1
109.72626	0.0
255.83409	0.1
318.33484	0.1
404.30597	0.1
409.31387	0.1
421.31561	0.1
439.30914	0.1
487.34363	100.0
488.34705	9.3
651.58997	0.1
974.85059	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	0.5
71.58074	0.5
78.95795	31.0
88.98716	0.3
93.08794	0.2
96.96856	2.2
101.02348	0.3
125.02435	0.3
150.98022	0.3
152.99525	41.3
153.99916	0.5
171.00597	12.8
195.05016	0.3
209.11803	1.9
227.03273	2.4
245.04347	54.5
246.04533	1.3
253.21758	20.9
254.22095	0.9
274.54691	0.2
277.21814	0.9
397.13583	0.4
450.06723	0.3
481.25821	100.0
482.26147	9.7
665.73230	0.3
865.19543	0.3
945.49719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.3
71.01268	11.5
71.58568	0.5
72.99187	1.4
73.02822	1.7
78.95799	1.3
79.95622	3.9
81.03338	0.7
83.01269	1.0
83.04903	0.3
83.44083	0.3
85.02832	3.1
85.99995	0.5
87.00750	2.3
89.02331	9.3
89.66529	0.3
95.01287	0.9
96.95910	100.0
97.02851	2.5
97.06470	0.5
99.00792	0.8
101.01705	0.6
101.02352	8.4
111.04466	0.4
111.08078	4.8
113.02355	4.6
116.00801	0.3
116.62561	0.3
119.03425	2.5
125.02371	3.5
143.03447	1.8
149.04509	0.5
153.12799	0.7
157.20503	0.4
161.04486	1.8
165.12755	1.1
167.10733	0.6
169.12277	2.7
171.10194	1.3
173.61874	0.4
177.12740	0.4
179.05542	2.9
179.10727	0.4
179.14359	0.5
181.12260	1.2
183.13821	0.4
195.13875	6.6
196.14427	0.4
197.11815	23.0
198.12177	0.8
199.13339	1.1
205.12334	0.4
209.11848	0.9
211.13396	3.7
221.06573	0.7
223.13374	4.6
224.13737	0.4
225.14847	0.5
227.12889	1.4
228.13623	0.4
235.08202	2.6
239.12877	0.4
246.83154	0.3
247.20689	0.8
249.22305	0.5
253.09415	0.8
256.13193	0.7
263.20212	1.2
265.18057	0.8
265.21716	0.5
273.18600	0.7
275.20200	3.7
287.07745	1.5
291.19724	13.0
292.20081	1.1
293.21283	80.8
294.21564	5.5
305.08780	0.9
309.20764	56.7
310.21121	4.4
317.21259	0.3
323.09674	0.5
379.12616	1.6
381.83517	0.4
397.13571	27.2
398.14008	1.8
415.14645	16.0
416.14984	0.8
465.41840	0.4
471.34760	1.1
472.36063	0.5
473.35428	0.5
577.25586	0.5
585.41602	2.8
586.42889	0.4
595.26025	0.4
673.34216	0.9
675.15601	0.4
689.34070	1.6
691.35638	2.9
707.34937	2.4
708.35614	0.6
983.55304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	1.3
71.01269	18.0
72.99202	1.9
73.02828	2.1
74.65858	0.4
75.32734	0.4
78.39831	0.4
81.03343	0.8
83.01281	1.5
83.04926	0.9
85.02856	4.4
87.00763	4.1
89.02337	16.7
93.03392	0.5
95.01290	1.4
95.04922	0.6
96.95924	1.2
97.02863	2.6
98.20567	1.3
99.00777	0.9
101.02345	13.4
101.06174	0.5
102.61437	0.4
111.04443	0.6
111.08070	7.3
113.02357	8.1
113.09641	0.8
119.03436	4.5
123.08090	0.7
125.02359	4.9
129.01790	0.5
131.03416	1.2
137.09631	0.6
139.00371	0.5
141.09050	0.5
143.03438	2.7
149.04494	0.5
149.09773	0.5
153.09174	0.6
161.04489	2.9
167.10724	1.7
171.10172	1.2
177.12827	1.6
179.05566	5.1
179.10750	1.2
179.14337	0.9
195.13879	11.4
195.15567	0.8
196.14331	0.7
197.11781	1.1
203.14378	0.5
205.94055	0.4
209.11816	2.9
211.13246	0.7
221.06657	2.4
223.13362	4.9
229.69247	0.5
235.08229	4.4
241.76222	0.4
247.20699	1.7
248.21019	0.5
253.09250	0.9
256.13153	1.4
263.07678	0.5
273.18723	0.9
275.20212	5.1
277.21780	2.6
287.07779	0.8
291.19730	82.2
292.20050	6.0
293.21295	100.0
294.21622	7.6
305.08948	1.2
307.19293	3.8
309.20831	1.5
317.21375	0.4
323.09860	0.9
325.20288	2.6
326.20715	0.4
379.12561	2.1
397.13559	30.8
398.13956	1.9
415.14667	13.2
416.14798	1.0
571.72992	0.5
572.55212	0.6
671.32715	0.5
689.33734	2.0
705.33746	0.7
901.52893	0.5
965.54596	0.9
983.56134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	2.0
71.01269	15.4
71.58298	0.7
72.99207	1.6
73.02835	1.6
73.41354	0.6
79.95653	1.4
83.01265	1.2
85.02860	3.2
87.00764	3.9
89.02343	14.4
94.75898	0.5
95.01304	1.1
95.04948	0.8
96.95916	27.8
96.96893	1.2
97.02861	1.9
97.06498	0.7
99.00783	1.1
101.02345	12.0
102.17729	0.5
104.68255	0.6
109.02846	0.6
111.08074	10.0
113.02357	5.8
119.03403	3.0
125.02369	4.8
127.07561	1.4
131.03468	0.6
139.03903	0.6
141.01859	0.7
143.03467	1.9
149.04541	0.7
149.57751	0.6
151.11273	0.7
153.12782	0.6
161.04483	2.5
167.10776	1.0
169.12280	3.9
171.10239	0.8
175.15053	0.6
179.05617	4.6
179.14418	0.8
181.12357	1.7
183.13824	1.3
188.34328	0.5
193.12335	0.8
195.10126	0.6
195.13875	8.0
196.14407	0.7
197.11813	48.9
198.12140	1.4
199.13423	2.7
205.12379	0.7
211.13371	8.2
221.06680	1.4
223.13409	4.6
227.12766	0.7
228.13684	0.8
231.21114	0.6
235.08226	2.9
253.09378	0.7
263.07492	0.8
263.20212	4.1
265.18170	1.0
273.18472	1.0
275.20215	5.3
277.21857	1.1
287.07800	1.4
291.19720	16.4
292.20084	1.6
292.89343	0.7
293.21298	100.0
294.21622	6.4
305.08826	1.7
307.19180	0.8
309.20776	93.8
310.21130	7.0
312.51825	0.5
323.09872	0.9
379.12506	2.2
397.13583	33.3
398.02145	0.5
398.13934	1.9
415.09094	1.2
415.14651	23.6
416.14850	1.6
471.34833	0.7
585.41846	3.7
673.34198	1.1
689.33618	4.2
690.33466	0.7
691.35388	3.6
707.35022	5.4
853.98505	0.6
862.59290	0.7
983.55487	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	985.5759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.2
69.37275	1.0
71.01269	3.0
72.99194	0.2
73.02834	0.6
75.00761	0.1
79.89353	0.1
80.02572	0.1
81.03357	0.2
83.01266	0.3
83.04921	0.3
85.02836	0.6
87.00768	0.6
89.02332	2.5
90.27683	0.1
93.06976	0.2
95.01302	0.2
97.02842	0.7
97.06484	0.2
98.03610	0.1
99.00771	0.2
99.04413	0.1
101.02341	2.4
101.22463	0.1
109.02824	0.1
109.06477	0.5
111.04398	0.1
111.08052	1.5
113.02368	1.1
119.03415	0.9
120.05715	0.2
121.02845	0.1
123.00776	0.1
123.08076	0.2
125.02371	1.2
125.09615	0.5
127.07606	0.2
127.11194	1.1
129.09106	0.3
131.03415	0.1
135.08012	0.1
137.06046	0.2
137.09653	0.2
138.06766	0.1
139.03935	0.1
139.07489	0.2
139.11182	0.1
141.01877	0.1
141.09148	0.3
143.03406	0.4
149.09653	0.3
151.07559	0.1
151.11241	0.8
153.09195	0.7
153.12778	3.5
155.10747	0.9
161.04483	0.6
161.09663	0.1
163.07561	0.1
163.11211	0.2
165.12776	0.5
166.09912	0.1
167.10728	1.3
169.12285	0.7
179.05579	0.5
179.10751	0.5
179.14369	1.5
181.12280	2.5
183.13943	0.2
189.12819	0.1
193.15971	0.5
195.10266	0.2
197.11786	2.1
199.13406	1.0
203.14351	0.1
205.16130	0.1
207.13902	1.7
208.14188	0.1
209.15422	0.1
213.14899	0.2
215.12897	1.1
217.16035	0.3
219.17514	0.1
221.06667	0.1
226.12094	0.5
227.12851	1.0
228.13649	0.8
231.17468	0.3
235.08197	1.2
237.22235	0.2
241.14420	0.2
245.06816	0.1
245.19139	0.2
247.20671	3.6
248.20901	0.1
249.18701	0.1
253.09520	0.2
253.21753	0.2
256.66208	0.1
263.07767	0.1
263.20154	0.5
265.21680	0.8
273.18646	1.9
274.18921	0.2
275.16565	0.1
277.21777	6.9
278.22113	0.5
281.21286	1.3
282.21603	0.1
287.07767	0.4
289.18314	0.1
291.19717	21.8
292.20074	1.5
305.08685	0.5
308.19495	0.1
309.20764	100.0
310.21121	6.3
323.09869	0.2
366.34140	0.1
397.13574	12.5
398.13989	0.6
415.09100	0.2
415.14590	4.5
416.15088	0.3
441.62170	0.1
591.33899	0.1
675.35486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	0.1
85.73462	0.0
89.02319	0.1
96.04198	0.0
96.95881	0.1
98.19720	0.1
100.58295	0.0
101.02334	0.1
113.02383	0.1
116.92771	0.2
161.04388	0.0
170.11879	0.0
197.11858	0.0
205.15971	0.1
235.08385	0.0
253.09398	0.4
253.36113	0.0
277.21780	2.7
277.39899	0.0
278.22064	0.1
293.21286	0.1
294.21722	0.1
302.12320	0.0
309.20853	0.1
340.21890	0.0
375.27014	0.0
376.27725	0.0
377.28369	0.1
389.28790	0.1
393.31595	0.2
405.31674	0.1
407.33374	0.8
408.33731	0.1
423.32834	0.2
425.34464	0.2
439.32190	0.1
469.33481	0.1
471.34875	100.0
472.35208	10.5
513.30762	0.1
767.00665	0.1
985.66479	0.1
986.67847	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26844	1.5
69.27258	0.3
71.01283	0.2
78.95810	0.3
80.95568	0.2
81.32379	0.2
88.98705	0.3
89.02277	0.2
96.95920	0.4
101.02363	0.3
111.08823	0.2
113.02326	0.2
113.68427	0.2
116.92783	0.6
142.99535	0.2
189.67427	0.2
211.13390	0.3
253.09442	0.2
277.21893	1.1
278.81454	0.2
291.19785	0.7
292.20074	0.3
293.21188	1.0
294.21649	0.8
295.21918	0.3
398.14255	0.4
409.31326	0.2
469.33716	2.0
470.34174	3.4
471.34943	100.0
472.35339	11.2
472.42236	0.3
622.15381	0.2
727.98608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83486	0.7
69.83884	0.5
74.20129	0.2
78.95786	0.4
96.95877	0.5
119.08530	0.3
137.02350	0.3
169.87305	0.2
175.51352	0.2
200.56946	0.2
209.11922	0.2
309.20776	0.4
341.22827	0.5
353.22757	0.3
357.25876	2.1
369.25928	0.3
371.23447	0.3
371.27530	2.7
372.27707	0.3
373.25113	0.4
373.29153	2.9
374.29385	0.3
385.25308	0.5
387.26913	0.6
389.28479	0.6
393.28110	0.3
405.28217	0.4
407.29474	0.7
419.29474	0.3
421.31100	0.3
423.28864	0.4
435.29068	1.0
436.29288	0.3
437.30661	47.9
438.30981	5.1
439.32004	3.1
440.32230	0.3
451.28784	1.6
453.30139	1.5
469.29727	4.5
470.29874	0.5
471.31226	100.0
472.31586	10.7
472.38458	0.3
473.32056	1.1
481.29639	5.2
482.29733	0.4
483.31256	29.8
484.31525	4.2
485.32840	6.2
486.33252	0.6
487.34204	0.5
499.30884	0.8
501.31918	0.4
503.33871	34.8
504.34204	3.6
515.30280	2.0
568.38403	0.2
728.12238	0.2
813.41663	0.2
987.46179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6741
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81417	0.4
71.01299	0.2
71.04906	0.4
73.02833	0.4
87.00776	0.3
88.98679	0.2
96.95893	0.6
100.23045	0.2
106.83733	0.2
125.02322	0.2
147.04620	0.2
182.17497	0.2
197.11713	0.3
205.15918	0.3
217.99637	0.2
221.11700	0.2
233.11633	0.2
239.13040	0.2
303.77875	0.2
309.20816	0.5
371.29523	0.2
377.28241	0.2
389.28525	0.5
391.30142	0.3
393.31839	0.4
397.13406	0.2
401.98865	0.2
405.31735	0.3
407.33850	1.0
421.31302	0.5
423.32687	0.6
425.34573	1.5
427.32193	0.8
437.30859	0.2
439.32486	0.4
441.33704	0.5
443.35400	0.5
453.30194	9.9
454.30597	1.1
455.31827	0.3
457.33368	0.5
467.31311	0.2
469.33316	11.4
470.33725	1.2
471.31366	2.7
472.31552	0.5
473.32819	0.3
483.31262	5.6
484.31442	0.6
485.33002	1.0
486.32977	0.5
487.34396	81.3
488.34735	9.2
488.40591	0.2
501.32321	100.0
502.32657	11.9
503.32941	0.2
513.32361	0.4
750.48169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	3.9
70.07294	3.6
71.01260	4.4
73.02831	1.0
77.03846	1.2
81.02939	1.1
81.03348	8.2
83.00815	1.3
83.01279	16.6
85.02829	1.6
87.00762	0.7
89.02325	2.3
90.44592	0.6
91.05448	0.6
93.03343	5.4
95.01268	2.9
95.04927	4.1
96.95898	1.2
97.02855	7.6
98.19808	0.9
99.04427	4.3
101.02325	2.7
107.04942	1.7
109.02863	9.2
113.02377	1.5
113.05967	0.9
119.04944	1.0
120.02111	1.2
121.02885	6.9
122.03635	2.9
123.00753	1.1
123.04413	2.8
124.01585	1.7
125.02366	83.7
126.02699	1.0
131.04930	1.2
133.02879	1.9
135.04433	4.4
137.02373	79.7
138.02829	1.5
139.03975	3.2
145.02843	1.4
146.03670	27.9
147.04269	2.3
149.02370	2.1
149.06079	0.9
150.03195	1.3
151.03958	5.5
154.02689	0.7
158.03683	1.2
159.04471	10.5
160.05246	5.0
161.02367	2.7
161.06015	2.3
162.03096	1.4
163.00247	1.7
164.01115	18.7
165.01888	46.8
166.02240	1.2
167.03459	28.1
167.04875	1.1
171.04541	0.7
172.05237	8.2
173.02357	0.9
173.06012	4.9
174.03157	13.4
174.06856	3.2
175.04010	4.7
176.04707	4.0
177.01889	8.5
177.05157	0.7
179.01863	1.0
179.03447	17.8
181.05008	1.2
183.04494	1.1
184.05339	0.7
185.06000	2.8
186.06830	3.3
187.03961	6.6
187.07515	0.9
188.04720	8.5
189.05464	2.1
190.02672	1.1
191.03508	1.3
196.05377	1.1
197.06111	1.9
198.06596	1.1
199.04028	1.7
199.07626	2.4
200.04788	6.8
200.08383	1.0
201.05554	4.9
202.06223	1.0
204.04274	6.7
208.05318	0.7
209.06059	3.0
210.06790	1.2
211.03952	1.7
211.07520	1.3
211.13327	1.6
212.04767	7.5
213.05537	1.5
213.09383	0.7
214.06366	1.2
215.06999	1.1
222.06836	1.3
223.07468	1.0
224.04703	1.4
225.05556	5.5
226.06387	3.2
227.07103	2.4
228.07918	1.6
234.06973	0.7
235.07738	0.8
236.04855	1.3
237.05559	2.0
237.09203	1.4
238.06549	1.1
239.07147	1.8
241.12347	1.5
243.06631	1.2
243.13832	1.3
244.07361	1.6
249.05574	1.3
250.06216	0.7
251.04875	0.8
251.07037	3.6
252.07909	3.9
253.12418	2.0
255.13843	2.9
265.08560	1.6
266.09338	1.0
267.13889	1.1
268.07471	3.6
269.11826	5.6
269.14694	1.0
270.09009	3.4
270.11758	1.0
271.13449	37.0
272.13757	2.8
276.08032	0.9
277.21793	14.3
278.22211	1.3
281.11807	1.3
283.13440	4.5
285.14862	4.6
287.05304	1.0
287.12964	2.9
288.06412	1.6
289.14539	11.7
290.14920	1.0
294.09021	5.1
295.13525	4.5
297.15063	4.5
299.12939	9.1
300.13391	0.9
301.14572	3.6
307.13431	1.3
309.14993	2.6
312.13596	0.7
313.14493	19.9
314.14896	1.0
315.15933	3.7
317.13998	5.8
320.06979	1.9
325.14536	13.4
325.18182	1.5
327.15924	1.1
331.15573	3.3
335.16391	4.4
336.16928	0.8
337.14511	8.6
343.15561	7.0
349.18073	1.0
351.16150	2.6
353.17575	2.9
355.15439	2.7
359.16415	0.8
369.17102	1.7
377.17703	5.4
378.18085	1.0
379.15546	2.7
391.14935	0.9
391.19321	2.0
393.16940	2.7
395.18674	5.6
401.17725	2.0
413.19681	1.8
419.18729	16.2
420.18896	0.8
437.19681	9.2
438.19888	1.1
445.16745	1.8
451.91180	0.7
455.20972	1.0
463.17673	5.8
464.17865	0.7
471.62006	0.7
481.18903	2.0
553.23206	0.9
566.65637	0.8
567.24579	6.0
579.24207	1.5
591.24432	0.7
597.26208	0.8
655.28558	1.0
673.28601	5.9
691.29987	1.0
699.26385	1.8
717.28217	4.6
735.28375	0.8
785.44763	0.8
797.45135	1.6
811.46600	1.2
813.44299	1.6
827.46063	21.8
828.46198	5.0
839.46082	12.2
840.46161	2.2
851.46198	8.8
852.46741	1.7
857.47009	12.1
858.47223	2.0
869.45667	0.9
893.46777	1.6
909.50586	1.2
911.48010	1.0
933.50183	17.8
934.50305	3.4
951.49554	5.2
952.49518	1.1
959.47870	6.1
960.48108	1.1
977.49237	100.0
978.49585	21.1
995.50311	88.1
996.50708	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	995.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.2
71.01263	4.8
71.56874	1.8
73.02843	1.0
77.03841	1.0
81.03351	7.9
83.01279	17.9
83.28668	1.1
85.02834	1.7
87.00780	1.4
89.02336	2.2
93.03355	3.1
95.01255	1.8
95.04927	3.4
96.95909	3.5
97.02848	6.6
99.04411	3.3
101.02333	3.3
107.04895	2.2
108.02065	1.4
109.02850	10.6
111.00783	1.5
121.02874	9.9
122.03642	2.6
123.00841	1.3
123.04418	2.8
124.01572	1.3
125.02367	84.8
133.02853	2.9
135.04463	4.9
137.02374	73.1
139.03920	2.8
146.03668	26.9
147.04361	3.1
148.01534	1.1
149.02414	3.9
150.03107	1.5
151.03947	4.2
158.03656	1.0
159.04472	10.5
160.05220	4.2
161.02328	2.5
161.04517	0.9
161.06007	4.1
163.00253	1.0
163.03920	1.5
164.01088	16.9
165.01886	42.0
166.02382	1.5
167.03456	25.9
172.05238	9.6
173.06018	4.6
174.03178	12.5
174.06726	5.1
175.03954	5.5
176.04739	2.8
177.01892	8.8
179.03455	14.9
181.04973	1.4
185.06070	2.5
186.06795	3.1
187.03957	4.2
188.04752	10.5
189.05528	2.2
191.03485	1.7
197.05945	1.0
199.03966	2.2
199.07576	1.4
200.04768	5.7
201.05598	5.8
204.04219	6.9
209.06062	2.1
210.06836	2.0
211.04005	1.9
212.04811	6.0
213.05530	2.9
214.06207	1.4
222.06921	1.2
223.07710	1.2
224.04831	1.2
225.05573	3.2
225.51283	1.0
226.06328	4.3
227.06989	1.8
228.07916	1.2
237.05609	1.7
239.07133	2.5
241.12404	1.8
243.13901	1.8
244.07422	1.2
251.07129	3.2
252.07957	3.9
253.12355	1.5
255.13893	3.1
268.07468	3.9
269.08200	1.2
269.11890	4.7
269.14767	1.0
270.08978	3.2
270.12631	1.4
271.13440	33.6
272.13815	2.2
276.07919	1.7
277.21747	20.8
278.05923	1.5
278.22122	1.9
283.13431	4.5
285.14908	4.5
287.05646	1.8
288.06223	2.7
289.14526	6.6
293.15024	1.1
294.09076	5.4
295.13391	2.7
297.15024	3.8
299.12958	9.7
300.13483	1.7
301.14417	3.0
307.19302	1.8
309.15005	3.1
313.14517	20.0
314.14890	1.5
315.16193	1.9
317.13931	1.7
320.06937	1.3
325.14465	12.8
331.15604	3.0
335.16428	3.4
337.14511	8.9
343.15448	6.1
351.16034	2.6
355.15530	1.9
369.17188	1.6
377.17737	3.9
379.15582	3.1
391.19678	1.5
393.17068	2.5
395.18686	6.3
401.17508	1.2
413.19693	1.3
419.13651	1.9
419.18719	17.4
421.17053	1.1
437.19922	7.1
445.16287	1.9
463.17920	6.2
567.24463	1.8
673.28821	3.1
695.51642	1.2
785.45490	1.7
827.45959	17.3
828.46240	4.3
839.46326	12.9
851.45752	8.1
852.46136	1.6
857.47089	9.7
858.47192	1.3
869.47754	1.8
875.35583	1.2
933.49670	15.1
934.50189	5.0
951.49426	3.4
952.47925	1.5
959.47937	4.3
977.49231	100.0
978.49500	20.2
995.50397	84.7
996.50610	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6773
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67073	0.3
71.56634	0.4
72.43210	0.3
82.22026	0.4
96.95901	1.0
100.12646	0.4
117.92021	0.3
177.50594	0.4
291.19720	0.5
307.19199	0.4
325.19974	0.4
329.08005	0.4
422.99982	0.5
487.34381	100.0
488.34686	14.4
488.41721	0.7
489.35168	0.6
997.67694	85.1
998.67950	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	997.6771
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19492	1.2
81.67309	0.2
83.12646	0.3
90.72999	0.2
90.73543	0.3
96.95927	0.4
117.78020	0.2
168.84840	0.3
217.85190	0.3
296.84082	0.3
307.74860	0.2
328.79688	0.3
353.81970	0.2
486.33221	0.3
487.34372	100.0
488.34714	13.3
488.41867	0.6
489.34976	0.5
997.67657	94.2
998.68011	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	999.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00902	0.6
71.01270	9.4
71.58205	0.3
72.99182	0.9
73.02858	1.7
80.85699	0.3
81.03347	0.5
83.01275	1.0
83.04923	0.4
85.02852	2.2
87.00780	2.1
89.02337	8.4
95.01284	1.3
95.04903	0.6
96.95907	2.0
97.02851	2.6
97.06450	0.5
99.00779	0.6
101.01707	0.5
101.02350	7.1
109.06489	0.7
111.08070	9.9
113.02365	3.8
119.02627	0.5
119.03387	2.5
125.02367	3.2
125.09581	0.6
127.07607	0.5
135.29730	0.3
137.02325	0.4
137.09708	0.5
141.09200	0.4
143.03419	1.4
151.11183	0.5
153.09052	0.4
153.12794	1.0
161.04482	1.9
163.11209	0.7
165.12785	1.0
169.12292	4.6
171.10159	0.8
179.05580	3.2
179.10616	0.5
181.12323	1.7
183.13849	0.7
193.12273	0.9
195.67906	0.4
197.11809	45.9
198.12202	1.9
199.13387	3.1
204.23004	0.3
209.11848	0.6
211.11449	0.7
211.13373	7.3
221.06686	1.0
227.12912	2.0
229.19658	0.4
235.08238	2.1
247.20641	0.9
253.09340	0.4
263.07745	0.3
263.20197	3.2
265.18127	0.9
273.18576	0.8
273.61475	0.3
287.07953	0.6
289.07242	0.6
291.19733	19.0
292.20093	1.4
293.21326	1.0
305.08914	1.1
309.20773	100.0
310.21152	6.0
323.09937	0.8
372.94302	0.4
375.37051	0.3
379.12411	0.6
386.50525	0.4
397.13580	20.4
398.13882	1.0
415.14667	13.6
416.15073	0.6
421.80716	0.4
577.25189	0.4
601.41357	2.2
602.41730	0.6
660.79834	0.4
689.34460	3.0
707.35199	5.2
708.35333	0.7
999.56073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39459	0.5
69.39881	1.3
71.01270	9.7
72.01574	0.2
72.99194	0.8
73.02826	1.3
81.03337	0.5
83.01266	1.2
83.04893	0.4
85.02834	2.5
87.00768	2.5
88.71617	0.2
89.02332	7.8
93.07005	0.3
95.01289	0.9
95.04945	0.3
96.95908	0.8
97.02847	2.2
97.06471	0.2
99.00774	1.0
101.02340	7.3
101.03008	0.4
109.06517	0.6
111.00826	0.3
111.08061	9.2
112.08392	0.3
113.02348	4.5
113.09647	0.2
119.03409	2.2
123.04439	0.3
125.02365	3.3
125.09643	0.5
127.07567	0.8
131.03406	0.4
135.39793	0.2
137.09641	0.2
139.03935	0.2
141.01859	0.4
141.09143	0.2
143.03459	1.4
149.04475	0.4
149.09734	0.3
151.11206	0.6
153.09151	0.4
153.12746	1.0
155.10718	0.2
161.04520	1.7
163.11230	0.4
165.12756	1.0
167.10754	0.4
167.14195	0.2
169.04883	0.2
169.12291	4.7
171.10201	0.8
179.05560	3.1
179.10796	0.5
181.12317	1.0
183.13840	0.8
183.62883	0.2
185.04482	0.3
193.12297	0.8
195.13841	0.3
197.11801	49.3
198.12167	2.0
199.13373	2.5
209.11809	0.8
211.13370	6.4
212.13727	0.3
221.06682	0.7
221.11813	0.3
223.13293	0.4
227.12910	1.6
235.08203	2.8
235.13586	0.2
236.08531	0.2
247.20641	1.1
253.09242	0.5
263.20221	2.6
264.20624	0.2
265.18188	1.6
273.18610	1.0
276.92468	0.2
287.07776	0.8
289.18198	0.2
291.19711	19.5
292.20074	1.3
293.21274	0.5
305.08679	1.0
309.20758	100.0
310.17520	0.4
310.21094	6.8
323.09723	0.7
325.20242	0.4
327.21704	0.3
333.20853	0.5
335.83505	0.2
351.21802	0.4
379.12564	1.3
391.15515	0.2
397.13577	21.8
398.13928	1.3
415.14642	13.7
416.14969	0.7
577.25336	0.2
583.39948	0.2
595.26147	0.5
601.41199	2.5
689.34045	2.9
690.33960	0.4
707.35004	6.2
708.35114	0.7
999.55188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.6435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	0.1
71.07451	0.1
89.02336	0.1
96.95858	0.1
138.91316	0.0
156.80118	0.0
251.62646	0.0
253.09230	0.1
277.21741	0.9
363.26822	0.1
377.28433	0.1
379.29971	0.1
391.30255	0.1
409.31165	0.6
410.31345	0.1
437.30667	1.9
438.30685	0.2
455.31744	36.4
456.32077	3.4
456.38681	0.1
485.32809	100.0
486.33148	9.7
926.35669	0.1
END